NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25821 | 2kcd | 16072 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -15.608 -7.887 22.092 2 H2 MET 1 HT2 MET 1 -14.122 -8.417 22.721 3 H3 MET 1 HT3 MET 1 -14.444 -8.559 21.059 4 HA MET 1 HA MET 1 -14.790 -5.947 21.349 5 HB2 MET 1 HB2 MET 1 -12.758 -6.865 23.409 6 HB3 MET 1 HB1 MET 1 -12.812 -5.217 22.781 7 HG2 MET 1 HG2 MET 1 -15.127 -4.968 23.574 8 HG3 MET 1 HG1 MET 1 -15.121 -6.634 24.151 9 HE1 MET 1 HE1 MET 1 -12.948 -2.976 25.739 10 HE2 MET 1 HE2 MET 1 -13.616 -3.280 24.138 11 HE3 MET 1 HE3 MET 1 -12.028 -3.916 24.558 12 H THR 2 HN THR 2 -13.601 -8.527 20.058 13 HA THR 2 HA THR 2 -10.937 -7.898 19.179 14 HB THR 2 HB THR 2 -12.962 -9.645 17.743 15 HG1 THR 2 HG1 THR 2 -12.846 -10.433 19.781 16 HG21 THR 2 HG21 THR 2 -10.923 -10.820 16.980 17 HG22 THR 2 HG22 THR 2 -9.931 -9.647 17.847 18 HG23 THR 2 HG23 THR 2 -10.915 -9.129 16.479 19 H LEU 3 HN LEU 3 -10.210 -6.732 17.510 20 HA LEU 3 HA LEU 3 -11.830 -4.753 16.239 21 HB2 LEU 3 HB2 LEU 3 -9.066 -5.823 15.581 22 HB3 LEU 3 HB1 LEU 3 -9.782 -4.434 14.772 23 HG LEU 3 HG LEU 3 -9.440 -4.614 17.783 24 HD11 LEU 3 HD11 LEU 3 -7.696 -3.063 15.853 25 HD12 LEU 3 HD12 LEU 3 -7.253 -4.652 16.476 26 HD13 LEU 3 HD13 LEU 3 -7.447 -3.293 17.583 27 HD21 LEU 3 HD21 LEU 3 -11.042 -2.952 17.401 28 HD22 LEU 3 HD22 LEU 3 -10.353 -2.488 15.846 29 HD23 LEU 3 HD23 LEU 3 -9.560 -2.007 17.342 30 H GLU 4 HN GLU 4 -10.593 -7.877 15.114 31 HA GLU 4 HA GLU 4 -11.494 -7.662 12.404 32 HB2 GLU 4 HB2 GLU 4 -9.842 -9.349 13.192 33 HB3 GLU 4 HB1 GLU 4 -11.122 -10.165 14.089 34 HG2 GLU 4 HG2 GLU 4 -12.351 -10.589 12.016 35 HG3 GLU 4 HG1 GLU 4 -11.145 -9.693 11.094 36 H LEU 5 HN LEU 5 -13.043 -8.879 15.351 37 HA LEU 5 HA LEU 5 -15.363 -9.983 14.103 38 HB2 LEU 5 HB2 LEU 5 -14.804 -10.495 16.417 39 HB3 LEU 5 HB1 LEU 5 -14.991 -8.804 16.876 40 HG LEU 5 HG LEU 5 -17.368 -9.910 15.468 41 HD11 LEU 5 HD11 LEU 5 -18.153 -11.223 17.398 42 HD12 LEU 5 HD12 LEU 5 -16.596 -10.988 18.193 43 HD13 LEU 5 HD13 LEU 5 -16.691 -11.922 16.700 44 HD21 LEU 5 HD21 LEU 5 -17.282 -7.698 16.621 45 HD22 LEU 5 HD22 LEU 5 -17.014 -8.527 18.151 46 HD23 LEU 5 HD23 LEU 5 -18.535 -8.745 17.286 47 H GLN 6 HN GLN 6 -14.670 -6.745 15.384 48 HA GLN 6 HA GLN 6 -17.283 -5.656 14.935 49 HB2 GLN 6 HB2 GLN 6 -14.547 -4.332 15.061 50 HB3 GLN 6 HB1 GLN 6 -16.064 -3.435 14.977 51 HG2 GLN 6 HG2 GLN 6 -16.830 -4.483 17.058 52 HG3 GLN 6 HG1 GLN 6 -15.357 -5.447 17.137 53 HE21 GLN 6 HE21 GLN 6 -16.746 -2.650 18.343 54 HE22 GLN 6 HE22 GLN 6 -15.336 -1.801 18.757 55 H LEU 7 HN LEU 7 -14.394 -5.953 12.933 56 HA LEU 7 HA LEU 7 -15.252 -4.331 10.761 57 HB2 LEU 7 HB2 LEU 7 -12.919 -5.113 11.014 58 HB3 LEU 7 HB1 LEU 7 -13.439 -6.775 10.734 59 HG LEU 7 HG LEU 7 -14.258 -6.121 8.476 60 HD11 LEU 7 HD11 LEU 7 -13.272 -3.784 7.728 61 HD12 LEU 7 HD12 LEU 7 -13.368 -3.414 9.449 62 HD13 LEU 7 HD13 LEU 7 -14.823 -3.860 8.556 63 HD21 LEU 7 HD21 LEU 7 -12.060 -7.008 8.486 64 HD22 LEU 7 HD22 LEU 7 -11.385 -5.544 9.201 65 HD23 LEU 7 HD23 LEU 7 -11.949 -5.531 7.529 66 H LYS 8 HN LYS 8 -15.624 -7.809 11.390 67 HA LYS 8 HA LYS 8 -16.950 -8.439 8.928 68 HB2 LYS 8 HB2 LYS 8 -15.949 -10.138 10.477 69 HB3 LYS 8 HB1 LYS 8 -17.255 -9.819 11.619 70 HG2 LYS 8 HG2 LYS 8 -18.916 -10.499 9.943 71 HG3 LYS 8 HG1 LYS 8 -17.633 -10.778 8.767 72 HD2 LYS 8 HD2 LYS 8 -16.661 -12.511 10.234 73 HD3 LYS 8 HD1 LYS 8 -17.951 -12.239 11.407 74 HE2 LYS 8 HE2 LYS 8 -18.714 -14.098 10.167 75 HE3 LYS 8 HE1 LYS 8 -19.568 -12.738 9.441 76 HZ1 LYS 8 HZ1 LYS 8 -17.263 -12.800 8.043 77 HZ2 LYS 8 HZ2 LYS 8 -18.724 -13.508 7.540 78 HZ3 LYS 8 HZ3 LYS 8 -17.542 -14.451 8.317 79 H HIS 9 HN HIS 9 -18.156 -7.622 12.164 80 HA HIS 9 HA HIS 9 -20.939 -7.823 11.514 81 HB2 HIS 9 HB2 HIS 9 -19.455 -6.331 13.694 82 HB3 HIS 9 HB1 HIS 9 -21.215 -6.385 13.595 83 HD1 HIS 9 HD1 HIS 9 -20.519 -7.679 16.046 84 HD2 HIS 9 HD2 HIS 9 -20.069 -9.774 12.470 85 HE1 HIS 9 HE1 HIS 9 -20.437 -10.135 16.658 86 H TYR 10 HN TYR 10 -18.626 -5.143 11.462 87 HA TYR 10 HA TYR 10 -20.475 -3.047 10.906 88 HB2 TYR 10 HB2 TYR 10 -18.174 -2.567 11.580 89 HB3 TYR 10 HB1 TYR 10 -17.553 -3.340 10.121 90 HD1 TYR 10 HD1 TYR 10 -19.425 -0.432 11.441 91 HD2 TYR 10 HD2 TYR 10 -17.647 -2.236 7.972 92 HE1 TYR 10 HE1 TYR 10 -19.668 1.704 10.205 93 HE2 TYR 10 HE2 TYR 10 -17.894 -0.102 6.735 94 HH TYR 10 HH TYR 10 -19.857 2.259 7.511 95 H ILE 11 HN ILE 11 -18.527 -5.076 8.723 96 HA ILE 11 HA ILE 11 -19.452 -3.914 6.279 97 HB ILE 11 HB ILE 11 -18.359 -6.682 6.894 98 HG12 ILE 11 HG12 ILE 11 -17.036 -4.321 5.526 99 HG13 ILE 11 HG11 ILE 11 -16.881 -4.642 7.252 100 HG21 ILE 11 HG21 ILE 11 -19.102 -5.339 4.291 101 HG22 ILE 11 HG22 ILE 11 -19.542 -6.949 4.859 102 HG23 ILE 11 HG23 ILE 11 -17.888 -6.618 4.349 103 HD11 ILE 11 HD11 ILE 11 -14.992 -5.584 5.886 104 HD12 ILE 11 HD12 ILE 11 -16.159 -6.640 5.090 105 HD13 ILE 11 HD13 ILE 11 -15.862 -6.802 6.820 106 H THR 12 HN THR 12 -20.558 -6.747 8.127 107 HA THR 12 HA THR 12 -22.591 -7.570 6.277 108 HB THR 12 HB THR 12 -23.529 -8.794 8.277 109 HG1 THR 12 HG1 THR 12 -23.046 -7.609 9.997 110 HG21 THR 12 HG21 THR 12 -20.589 -8.972 7.608 111 HG22 THR 12 HG22 THR 12 -21.907 -9.980 7.009 112 HG23 THR 12 HG23 THR 12 -21.377 -10.126 8.685 113 H ASN 13 HN ASN 13 -22.636 -5.452 9.124 114 HA ASN 13 HA ASN 13 -25.462 -4.953 9.112 115 HB2 ASN 13 HB2 ASN 13 -23.089 -3.435 10.234 116 HB3 ASN 13 HB1 ASN 13 -24.739 -2.838 10.400 117 HD21 ASN 13 HD21 ASN 13 -23.130 -3.650 12.673 118 HD22 ASN 13 HD22 ASN 13 -23.868 -5.012 13.367 119 H LEU 14 HN LEU 14 -22.699 -3.428 7.516 120 HA LEU 14 HA LEU 14 -24.021 -1.121 6.558 121 HB2 LEU 14 HB2 LEU 14 -21.449 -1.947 6.441 122 HB3 LEU 14 HB1 LEU 14 -21.930 -2.430 4.819 123 HG LEU 14 HG LEU 14 -21.071 -0.166 4.693 124 HD11 LEU 14 HD11 LEU 14 -23.261 -0.838 3.470 125 HD12 LEU 14 HD12 LEU 14 -22.877 0.875 3.578 126 HD13 LEU 14 HD13 LEU 14 -24.072 0.178 4.662 127 HD21 LEU 14 HD21 LEU 14 -21.478 1.469 6.251 128 HD22 LEU 14 HD22 LEU 14 -21.929 0.126 7.293 129 HD23 LEU 14 HD23 LEU 14 -23.173 1.034 6.438 130 H PHE 15 HN PHE 15 -23.568 -4.299 5.008 131 HA PHE 15 HA PHE 15 -25.527 -3.492 2.893 132 HB2 PHE 15 HB2 PHE 15 -23.497 -5.733 3.067 133 HB3 PHE 15 HB1 PHE 15 -24.733 -5.654 1.809 134 HD1 PHE 15 HD1 PHE 15 -24.762 -3.801 0.177 135 HD2 PHE 15 HD2 PHE 15 -21.631 -4.185 3.092 136 HE1 PHE 15 HE1 PHE 15 -23.375 -2.193 -1.103 137 HE2 PHE 15 HE2 PHE 15 -20.243 -2.578 1.811 138 HZ PHE 15 HZ PHE 15 -21.114 -1.582 -0.286 139 H ASN 16 HN ASN 16 -25.601 -4.843 5.857 140 HA ASN 16 HA ASN 16 -27.113 -6.199 7.001 141 HB2 ASN 16 HB2 ASN 16 -28.664 -4.608 5.772 142 HB3 ASN 16 HB1 ASN 16 -28.880 -5.878 4.567 143 HD21 ASN 16 HD21 ASN 16 -29.116 -5.366 8.133 144 HD22 ASN 16 HD22 ASN 16 -30.397 -6.459 8.353 145 H LEU 17 HN LEU 17 -25.121 -7.521 5.540 146 HA LEU 17 HA LEU 17 -26.402 -9.761 4.163 147 HB2 LEU 17 HB2 LEU 17 -23.485 -9.250 4.784 148 HB3 LEU 17 HB1 LEU 17 -24.089 -10.555 3.769 149 HG LEU 17 HG LEU 17 -24.795 -7.677 3.173 150 HD11 LEU 17 HD11 LEU 17 -22.321 -7.849 3.286 151 HD12 LEU 17 HD12 LEU 17 -22.885 -7.578 1.638 152 HD13 LEU 17 HD13 LEU 17 -22.375 -9.189 2.141 153 HD21 LEU 17 HD21 LEU 17 -26.101 -9.293 1.950 154 HD22 LEU 17 HD22 LEU 17 -24.672 -10.251 1.567 155 HD23 LEU 17 HD23 LEU 17 -24.894 -8.667 0.833 156 HA PRO 18 HA PRO 18 -26.874 -12.557 7.565 157 HB2 PRO 18 HB2 PRO 18 -25.176 -14.420 5.927 158 HB3 PRO 18 HB1 PRO 18 -26.725 -14.732 6.739 159 HG2 PRO 18 HG2 PRO 18 -26.567 -14.316 4.092 160 HG3 PRO 18 HG1 PRO 18 -27.952 -13.768 5.053 161 HD2 PRO 18 HD2 PRO 18 -25.802 -12.155 3.800 162 HD3 PRO 18 HD1 PRO 18 -27.440 -11.680 4.303 163 H ARG 19 HN ARG 19 -25.790 -12.564 9.422 164 HA ARG 19 HA ARG 19 -22.861 -12.145 9.444 165 HB2 ARG 19 HB2 ARG 19 -24.952 -12.134 11.649 166 HB3 ARG 19 HB1 ARG 19 -23.233 -11.835 11.908 167 HG2 ARG 19 HG2 ARG 19 -23.324 -9.930 10.340 168 HG3 ARG 19 HG1 ARG 19 -25.044 -10.220 10.088 169 HD2 ARG 19 HD2 ARG 19 -23.832 -9.646 12.808 170 HD3 ARG 19 HD1 ARG 19 -24.527 -8.399 11.771 171 HE ARG 19 HE ARG 19 -26.455 -10.467 12.056 172 HH11 ARG 19 HH21 ARG 19 -24.827 -8.024 13.918 173 HH12 ARG 19 HH22 ARG 19 -26.123 -7.868 15.057 174 HH21 ARG 19 HH11 ARG 19 -28.128 -10.243 13.533 175 HH22 ARG 19 HH12 ARG 19 -27.982 -9.115 14.840 176 H ASP 20 HN ASP 20 -25.103 -14.683 9.649 177 HA ASP 20 HA ASP 20 -23.446 -16.414 11.367 178 HB2 ASP 20 HB2 ASP 20 -25.219 -18.113 10.862 179 HB3 ASP 20 HB1 ASP 20 -25.859 -16.628 11.560 180 H GLU 21 HN GLU 21 -23.163 -15.373 8.294 181 HA GLU 21 HA GLU 21 -22.312 -17.985 7.135 182 HB2 GLU 21 HB2 GLU 21 -22.707 -15.234 5.919 183 HB3 GLU 21 HB1 GLU 21 -22.033 -16.602 5.033 184 HG2 GLU 21 HG2 GLU 21 -24.730 -16.643 6.413 185 HG3 GLU 21 HG1 GLU 21 -24.506 -16.314 4.694 186 H LYS 22 HN LYS 22 -20.294 -18.529 7.518 187 HA LYS 22 HA LYS 22 -18.253 -16.565 8.250 188 HB2 LYS 22 HB2 LYS 22 -18.397 -18.801 9.337 189 HB3 LYS 22 HB1 LYS 22 -17.989 -19.551 7.793 190 HG2 LYS 22 HG2 LYS 22 -15.852 -18.336 7.745 191 HG3 LYS 22 HG1 LYS 22 -16.263 -17.531 9.259 192 HD2 LYS 22 HD2 LYS 22 -16.351 -19.731 10.392 193 HD3 LYS 22 HD1 LYS 22 -15.911 -20.521 8.879 194 HE2 LYS 22 HE2 LYS 22 -13.784 -19.273 8.835 195 HE3 LYS 22 HE1 LYS 22 -14.223 -18.467 10.341 196 HZ1 LYS 22 HZ1 LYS 22 -13.757 -20.282 11.550 197 HZ2 LYS 22 HZ2 LYS 22 -12.810 -20.730 10.213 198 HZ3 LYS 22 HZ3 LYS 22 -14.378 -21.359 10.396 199 H TRP 23 HN TRP 23 -16.469 -16.020 7.069 200 HA TRP 23 HA TRP 23 -16.589 -16.607 4.144 201 HB2 TRP 23 HB2 TRP 23 -14.897 -14.513 5.531 202 HB3 TRP 23 HB1 TRP 23 -15.331 -14.599 3.827 203 HD1 TRP 23 HD1 TRP 23 -18.480 -15.391 4.718 204 HE1 TRP 23 HE1 TRP 23 -20.006 -13.410 5.327 205 HE3 TRP 23 HE3 TRP 23 -14.953 -11.824 5.688 206 HZ2 TRP 23 HZ2 TRP 23 -19.769 -10.674 6.119 207 HZ3 TRP 23 HZ3 TRP 23 -15.634 -9.540 6.368 208 HH2 TRP 23 HH2 TRP 23 -18.034 -8.964 6.584 209 H GLU 24 HN GLU 24 -14.255 -16.495 3.166 210 HA GLU 24 HA GLU 24 -12.572 -18.454 4.698 211 HB2 GLU 24 HB2 GLU 24 -12.856 -17.932 1.726 212 HB3 GLU 24 HB1 GLU 24 -11.640 -19.002 2.427 213 HG2 GLU 24 HG2 GLU 24 -13.385 -20.380 3.441 214 HG3 GLU 24 HG1 GLU 24 -14.629 -19.288 2.834 215 H CYS 25 HN CYS 25 -10.836 -17.622 5.566 216 HA CYS 25 HA CYS 25 -9.785 -15.019 4.779 217 HB2 CYS 25 HB2 CYS 25 -8.377 -16.893 6.677 218 HB3 CYS 25 HB1 CYS 25 -8.490 -15.132 6.725 219 HG CYS 25 HG CYS 25 -10.407 -15.457 8.248 220 H GLU 26 HN GLU 26 -7.997 -14.599 3.649 221 HA GLU 26 HA GLU 26 -6.318 -16.882 2.674 222 HB2 GLU 26 HB2 GLU 26 -7.866 -16.088 0.898 223 HB3 GLU 26 HB1 GLU 26 -7.208 -14.461 1.067 224 HG2 GLU 26 HG2 GLU 26 -4.973 -15.284 0.453 225 HG3 GLU 26 HG1 GLU 26 -5.598 -16.928 0.332 226 H SER 27 HN SER 27 -4.326 -16.626 3.378 227 HA SER 27 HA SER 27 -3.342 -13.927 4.150 228 HB2 SER 27 HB2 SER 27 -2.270 -16.709 4.702 229 HB3 SER 27 HB1 SER 27 -1.508 -15.217 5.249 230 HG SER 27 HG SER 27 -3.902 -14.887 6.002 231 H ILE 28 HN ILE 28 -2.215 -12.853 2.726 232 HA ILE 28 HA ILE 28 -0.123 -14.181 1.112 233 HB ILE 28 HB ILE 28 -2.100 -14.173 -0.365 234 HG12 ILE 28 HG12 ILE 28 -0.166 -11.996 -1.207 235 HG13 ILE 28 HG11 ILE 28 0.254 -13.708 -1.208 236 HG21 ILE 28 HG21 ILE 28 -3.215 -12.137 -0.995 237 HG22 ILE 28 HG22 ILE 28 -2.048 -11.153 -0.112 238 HG23 ILE 28 HG23 ILE 28 -3.182 -12.177 0.768 239 HD11 ILE 28 HD11 ILE 28 -1.989 -12.408 -2.782 240 HD12 ILE 28 HD12 ILE 28 -1.689 -14.145 -2.716 241 HD13 ILE 28 HD13 ILE 28 -0.492 -13.071 -3.440 242 H GLU 29 HN GLU 29 1.519 -12.766 0.475 243 HA GLU 29 HA GLU 29 1.721 -10.306 2.104 244 HB2 GLU 29 HB2 GLU 29 3.713 -11.803 0.371 245 HB3 GLU 29 HB1 GLU 29 4.089 -10.312 1.236 246 HG2 GLU 29 HG2 GLU 29 3.550 -11.364 3.370 247 HG3 GLU 29 HG1 GLU 29 3.054 -12.842 2.547 248 H GLU 30 HN GLU 30 1.377 -8.342 1.275 249 HA GLU 30 HA GLU 30 1.703 -7.903 -1.658 250 HB2 GLU 30 HB2 GLU 30 -0.737 -7.189 -0.004 251 HB3 GLU 30 HB1 GLU 30 -0.425 -6.567 -1.626 252 HG2 GLU 30 HG2 GLU 30 -0.598 -9.514 -0.937 253 HG3 GLU 30 HG1 GLU 30 -1.924 -8.575 -1.617 254 H VAL 31 HN VAL 31 2.008 -5.726 -2.240 255 HA VAL 31 HA VAL 31 3.433 -4.167 -0.195 256 HB VAL 31 HB VAL 31 3.020 -3.721 -3.170 257 HG11 VAL 31 HG11 VAL 31 3.346 -1.569 -2.154 258 HG12 VAL 31 HG12 VAL 31 4.908 -2.051 -2.816 259 HG13 VAL 31 HG13 VAL 31 4.600 -2.197 -1.085 260 HG21 VAL 31 HG21 VAL 31 5.543 -4.460 -1.663 261 HG22 VAL 31 HG22 VAL 31 5.273 -4.508 -3.406 262 HG23 VAL 31 HG23 VAL 31 4.466 -5.673 -2.356 263 H ALA 32 HN ALA 32 2.683 -2.386 0.756 264 HA ALA 32 HA ALA 32 -0.057 -1.746 0.891 265 HB1 ALA 32 HB1 ALA 32 0.791 0.459 1.866 266 HB2 ALA 32 HB2 ALA 32 2.420 -0.116 1.511 267 HB3 ALA 32 HB3 ALA 32 1.399 -1.002 2.644 268 H ASP 33 HN ASP 33 2.511 -0.253 -1.053 269 HA ASP 33 HA ASP 33 0.922 1.861 -2.147 270 HB2 ASP 33 HB2 ASP 33 3.421 1.785 -2.207 271 HB3 ASP 33 HB1 ASP 33 3.330 0.488 -3.397 272 H ASP 34 HN ASP 34 1.556 -1.454 -3.243 273 HA ASP 34 HA ASP 34 0.290 -1.261 -5.798 274 HB2 ASP 34 HB2 ASP 34 0.747 -3.591 -3.911 275 HB3 ASP 34 HB1 ASP 34 0.004 -3.794 -5.496 276 H ILE 35 HN ILE 35 -0.944 -2.097 -2.579 277 HA ILE 35 HA ILE 35 -3.689 -2.439 -3.601 278 HB ILE 35 HB ILE 35 -2.534 -2.569 -0.790 279 HG12 ILE 35 HG12 ILE 35 -3.518 -4.808 -2.587 280 HG13 ILE 35 HG11 ILE 35 -1.820 -4.347 -2.458 281 HG21 ILE 35 HG21 ILE 35 -5.294 -3.149 -1.887 282 HG22 ILE 35 HG22 ILE 35 -4.860 -1.985 -0.638 283 HG23 ILE 35 HG23 ILE 35 -4.742 -3.713 -0.311 284 HD11 ILE 35 HD11 ILE 35 -3.430 -4.985 0.016 285 HD12 ILE 35 HD12 ILE 35 -1.680 -5.017 -0.204 286 HD13 ILE 35 HD13 ILE 35 -2.684 -6.269 -0.935 287 H LEU 36 HN LEU 36 -2.519 -0.638 -0.753 288 HA LEU 36 HA LEU 36 -4.621 1.222 -0.737 289 HB2 LEU 36 HB2 LEU 36 -1.797 1.681 0.273 290 HB3 LEU 36 HB1 LEU 36 -3.238 2.533 0.811 291 HG LEU 36 HG LEU 36 -2.726 -0.438 1.123 292 HD11 LEU 36 HD11 LEU 36 -1.383 0.719 2.715 293 HD12 LEU 36 HD12 LEU 36 -2.839 0.256 3.594 294 HD13 LEU 36 HD13 LEU 36 -2.646 1.909 3.026 295 HD21 LEU 36 HD21 LEU 36 -5.112 1.327 1.664 296 HD22 LEU 36 HD22 LEU 36 -4.827 -0.089 2.676 297 HD23 LEU 36 HD23 LEU 36 -5.062 -0.281 0.945 298 HA PRO 37 HA PRO 37 -3.655 3.915 -4.099 299 HB2 PRO 37 HB2 PRO 37 -4.776 6.270 -3.196 300 HB3 PRO 37 HB1 PRO 37 -5.718 4.907 -3.829 301 HG2 PRO 37 HG2 PRO 37 -5.193 5.688 -0.996 302 HG3 PRO 37 HG1 PRO 37 -6.679 5.069 -1.741 303 HD2 PRO 37 HD2 PRO 37 -5.017 3.496 -0.266 304 HD3 PRO 37 HD1 PRO 37 -5.992 2.864 -1.608 305 H ASP 38 HN ASP 38 -2.346 5.704 -4.721 306 HA ASP 38 HA ASP 38 0.044 6.056 -3.174 307 HB2 ASP 38 HB2 ASP 38 -1.062 7.512 -5.597 308 HB3 ASP 38 HB1 ASP 38 0.523 7.861 -4.910 309 H GLN 39 HN GLN 39 -3.012 7.608 -3.126 310 HA GLN 39 HA GLN 39 -2.329 10.238 -2.270 311 HB2 GLN 39 HB2 GLN 39 -4.629 9.563 -2.932 312 HB3 GLN 39 HB1 GLN 39 -4.743 8.560 -1.486 313 HG2 GLN 39 HG2 GLN 39 -4.517 10.507 -0.050 314 HG3 GLN 39 HG1 GLN 39 -4.217 11.546 -1.443 315 HE21 GLN 39 HE21 GLN 39 -6.397 12.047 0.352 316 HE22 GLN 39 HE22 GLN 39 -7.851 11.782 -0.485 317 H TYR 40 HN TYR 40 -2.802 7.216 -0.477 318 HA TYR 40 HA TYR 40 -2.073 8.568 2.070 319 HB2 TYR 40 HB2 TYR 40 -3.940 7.122 2.332 320 HB3 TYR 40 HB1 TYR 40 -3.192 5.840 1.379 321 HD1 TYR 40 HD1 TYR 40 -2.586 7.884 4.468 322 HD2 TYR 40 HD2 TYR 40 -2.097 4.100 2.502 323 HE1 TYR 40 HE1 TYR 40 -1.593 6.940 6.534 324 HE2 TYR 40 HE2 TYR 40 -1.112 3.149 4.570 325 HH TYR 40 HH TYR 40 -1.466 4.253 7.441 326 H VAL 41 HN VAL 41 -0.577 6.963 -0.478 327 HA VAL 41 HA VAL 41 1.801 6.359 1.247 328 HB VAL 41 HB VAL 41 1.158 4.735 -1.222 329 HG11 VAL 41 HG11 VAL 41 3.430 4.794 -0.022 330 HG12 VAL 41 HG12 VAL 41 2.717 3.201 -0.280 331 HG13 VAL 41 HG13 VAL 41 2.624 3.964 1.308 332 HG21 VAL 41 HG21 VAL 41 0.262 3.011 0.449 333 HG22 VAL 41 HG22 VAL 41 -0.803 4.374 0.108 334 HG23 VAL 41 HG23 VAL 41 0.131 4.337 1.603 335 H ARG 42 HN ARG 42 1.285 8.782 -0.093 336 HA ARG 42 HA ARG 42 2.483 8.950 -2.690 337 HB2 ARG 42 HB2 ARG 42 1.111 10.774 -1.815 338 HB3 ARG 42 HB1 ARG 42 2.238 11.027 -0.490 339 HG2 ARG 42 HG2 ARG 42 3.994 11.705 -2.034 340 HG3 ARG 42 HG1 ARG 42 2.986 11.279 -3.416 341 HD2 ARG 42 HD2 ARG 42 2.941 13.704 -3.053 342 HD3 ARG 42 HD1 ARG 42 1.351 13.011 -2.735 343 HE ARG 42 HE ARG 42 1.629 13.502 -0.423 344 HH11 ARG 42 HH21 ARG 42 4.521 14.043 -2.258 345 HH12 ARG 42 HH22 ARG 42 5.325 14.874 -0.968 346 HH21 ARG 42 HH11 ARG 42 2.673 14.585 1.243 347 HH22 ARG 42 HH12 ARG 42 4.282 15.179 1.006 348 H LEU 43 HN LEU 43 3.791 9.356 0.585 349 HA LEU 43 HA LEU 43 6.471 8.605 -0.392 350 HB2 LEU 43 HB2 LEU 43 7.590 10.582 0.277 351 HB3 LEU 43 HB1 LEU 43 6.169 11.163 -0.584 352 HG LEU 43 HG LEU 43 6.499 10.976 2.432 353 HD11 LEU 43 HD11 LEU 43 6.252 13.287 0.504 354 HD12 LEU 43 HD12 LEU 43 7.625 12.896 1.541 355 HD13 LEU 43 HD13 LEU 43 6.109 13.444 2.255 356 HD21 LEU 43 HD21 LEU 43 4.208 12.163 2.335 357 HD22 LEU 43 HD22 LEU 43 4.215 10.432 2.011 358 HD23 LEU 43 HD23 LEU 43 4.117 11.578 0.679 359 H GLY 44 HN GLY 44 4.097 8.159 1.706 360 HA2 GLY 44 HA2 GLY 44 5.174 8.278 4.313 361 HA3 GLY 44 HA1 GLY 44 3.921 7.149 3.795 362 HA PRO 45 HA PRO 45 8.110 5.033 4.612 363 HB2 PRO 45 HB2 PRO 45 7.348 3.699 6.930 364 HB3 PRO 45 HB1 PRO 45 8.206 5.251 6.907 365 HG2 PRO 45 HG2 PRO 45 5.306 4.699 7.327 366 HG3 PRO 45 HG1 PRO 45 6.346 5.920 8.082 367 HD2 PRO 45 HD2 PRO 45 4.584 6.516 6.070 368 HD3 PRO 45 HD1 PRO 45 6.095 7.417 6.327 369 H LEU 46 HN LEU 46 4.762 4.211 4.480 370 HA LEU 46 HA LEU 46 5.123 1.329 4.190 371 HB2 LEU 46 HB2 LEU 46 2.739 3.074 3.478 372 HB3 LEU 46 HB1 LEU 46 2.733 1.317 3.621 373 HG LEU 46 HG LEU 46 3.387 3.244 5.872 374 HD11 LEU 46 HD11 LEU 46 1.198 2.291 6.788 375 HD12 LEU 46 HD12 LEU 46 0.903 1.666 5.166 376 HD13 LEU 46 HD13 LEU 46 1.045 3.404 5.429 377 HD21 LEU 46 HD21 LEU 46 2.966 0.980 7.163 378 HD22 LEU 46 HD22 LEU 46 4.532 1.272 6.420 379 HD23 LEU 46 HD23 LEU 46 3.355 0.237 5.611 380 H SER 47 HN SER 47 6.290 3.600 2.369 381 HA SER 47 HA SER 47 5.401 3.590 -0.225 382 HB2 SER 47 HB2 SER 47 7.860 3.555 -0.907 383 HB3 SER 47 HB1 SER 47 7.415 4.779 0.276 384 HG SER 47 HG SER 47 8.006 2.913 1.810 385 H ASN 48 HN ASN 48 8.199 1.556 0.058 386 HA ASN 48 HA ASN 48 6.772 -0.581 -1.460 387 HB2 ASN 48 HB2 ASN 48 9.729 0.008 -1.091 388 HB3 ASN 48 HB1 ASN 48 9.099 -1.387 -1.964 389 HD21 ASN 48 HD21 ASN 48 6.770 0.262 -3.027 390 HD22 ASN 48 HD22 ASN 48 7.445 1.215 -4.256 391 H LYS 49 HN LYS 49 6.091 -0.572 1.169 392 HA LYS 49 HA LYS 49 7.797 -2.592 2.529 393 HB2 LYS 49 HB2 LYS 49 5.508 -0.841 3.443 394 HB3 LYS 49 HB1 LYS 49 6.122 -2.167 4.427 395 HG2 LYS 49 HG2 LYS 49 8.078 -0.176 3.290 396 HG3 LYS 49 HG1 LYS 49 7.131 0.271 4.706 397 HD2 LYS 49 HD2 LYS 49 8.512 -2.405 4.702 398 HD3 LYS 49 HD1 LYS 49 9.474 -0.959 4.989 399 HE2 LYS 49 HE2 LYS 49 7.956 -0.316 6.828 400 HE3 LYS 49 HE1 LYS 49 6.994 -1.766 6.543 401 HZ1 LYS 49 HZ1 LYS 49 9.256 -2.951 6.818 402 HZ2 LYS 49 HZ2 LYS 49 8.406 -2.440 8.198 403 HZ3 LYS 49 HZ3 LYS 49 9.717 -1.529 7.618 404 H ILE 50 HN ILE 50 7.130 -4.613 2.935 405 HA ILE 50 HA ILE 50 4.749 -5.577 1.460 406 HB ILE 50 HB ILE 50 7.067 -6.998 2.807 407 HG12 ILE 50 HG12 ILE 50 7.535 -7.659 0.431 408 HG13 ILE 50 HG11 ILE 50 6.209 -6.618 -0.081 409 HG21 ILE 50 HG21 ILE 50 6.013 -9.011 1.572 410 HG22 ILE 50 HG22 ILE 50 4.540 -8.041 1.528 411 HG23 ILE 50 HG23 ILE 50 5.257 -8.490 3.077 412 HD11 ILE 50 HD11 ILE 50 8.338 -5.420 1.665 413 HD12 ILE 50 HD12 ILE 50 7.364 -4.671 0.400 414 HD13 ILE 50 HD13 ILE 50 8.711 -5.718 -0.032 415 H LEU 51 HN LEU 51 2.958 -5.288 2.627 416 HA LEU 51 HA LEU 51 2.959 -5.978 5.535 417 HB2 LEU 51 HB2 LEU 51 1.183 -4.261 3.798 418 HB3 LEU 51 HB1 LEU 51 0.625 -4.847 5.363 419 HG LEU 51 HG LEU 51 2.674 -3.854 6.411 420 HD11 LEU 51 HD11 LEU 51 4.257 -3.664 4.678 421 HD12 LEU 51 HD12 LEU 51 3.729 -2.001 4.906 422 HD13 LEU 51 HD13 LEU 51 3.095 -2.949 3.561 423 HD21 LEU 51 HD21 LEU 51 1.835 -1.570 6.358 424 HD22 LEU 51 HD22 LEU 51 0.466 -2.682 6.327 425 HD23 LEU 51 HD23 LEU 51 0.988 -1.883 4.843 426 H GLN 52 HN GLN 52 1.750 -7.607 6.296 427 HA GLN 52 HA GLN 52 0.736 -9.593 4.433 428 HB2 GLN 52 HB2 GLN 52 0.637 -9.387 7.460 429 HB3 GLN 52 HB1 GLN 52 0.020 -10.769 6.551 430 HG2 GLN 52 HG2 GLN 52 2.229 -11.174 5.591 431 HG3 GLN 52 HG1 GLN 52 2.869 -9.741 6.396 432 HE21 GLN 52 HE21 GLN 52 2.611 -13.085 6.717 433 HE22 GLN 52 HE22 GLN 52 2.838 -13.204 8.395 434 H THR 53 HN THR 53 -1.117 -9.322 3.435 435 HA THR 53 HA THR 53 -3.335 -7.842 4.778 436 HB THR 53 HB THR 53 -2.441 -7.016 2.562 437 HG1 THR 53 HG1 THR 53 -4.870 -7.263 3.439 438 HG21 THR 53 HG21 THR 53 -2.177 -9.452 1.720 439 HG22 THR 53 HG22 THR 53 -2.767 -8.236 0.589 440 HG23 THR 53 HG23 THR 53 -3.899 -9.350 1.352 441 H ASN 54 HN ASN 54 -5.008 -8.990 5.479 442 HA ASN 54 HA ASN 54 -5.347 -11.808 4.552 443 HB2 ASN 54 HB2 ASN 54 -5.139 -11.422 6.982 444 HB3 ASN 54 HB1 ASN 54 -6.546 -10.359 6.935 445 HD21 ASN 54 HD21 ASN 54 -6.552 -12.735 8.515 446 HD22 ASN 54 HD22 ASN 54 -7.660 -13.830 7.843 447 H THR 55 HN THR 55 -6.504 -11.651 2.695 448 HA THR 55 HA THR 55 -8.914 -9.937 2.546 449 HB THR 55 HB THR 55 -7.704 -11.793 0.469 450 HG1 THR 55 HG1 THR 55 -7.495 -9.165 -0.018 451 HG21 THR 55 HG21 THR 55 -9.795 -9.602 0.308 452 HG22 THR 55 HG22 THR 55 -10.055 -11.325 0.030 453 HG23 THR 55 HG23 THR 55 -9.067 -10.389 -1.092 454 H TYR 56 HN TYR 56 -10.927 -10.676 2.747 455 HA TYR 56 HA TYR 56 -11.345 -13.623 3.105 456 HB2 TYR 56 HB2 TYR 56 -13.159 -11.390 4.052 457 HB3 TYR 56 HB1 TYR 56 -13.194 -13.088 4.524 458 HD1 TYR 56 HD2 TYR 56 -11.416 -9.880 4.903 459 HD2 TYR 56 HD1 TYR 56 -11.557 -14.011 6.074 460 HE1 TYR 56 HE2 TYR 56 -9.821 -9.412 6.746 461 HE2 TYR 56 HE1 TYR 56 -9.962 -13.543 7.914 462 HH TYR 56 HH TYR 56 -8.166 -10.688 8.109 463 H TYR 57 HN TYR 57 -12.766 -14.637 1.803 464 HA TYR 57 HA TYR 57 -14.534 -13.020 0.019 465 HB2 TYR 57 HB2 TYR 57 -13.925 -14.410 -1.894 466 HB3 TYR 57 HB1 TYR 57 -12.488 -13.621 -1.250 467 HD1 TYR 57 HD2 TYR 57 -10.995 -14.938 0.360 468 HD2 TYR 57 HD1 TYR 57 -14.058 -16.776 -2.028 469 HE1 TYR 57 HE2 TYR 57 -9.923 -17.151 0.681 470 HE2 TYR 57 HE1 TYR 57 -12.980 -18.987 -1.706 471 HH TYR 57 HH TYR 57 -11.045 -20.008 -1.041 472 H SER 58 HN SER 58 -16.525 -13.748 0.063 473 HA SER 58 HA SER 58 -17.072 -16.635 0.527 474 HB2 SER 58 HB2 SER 58 -18.446 -16.304 2.354 475 HB3 SER 58 HB1 SER 58 -17.304 -14.992 2.624 476 HG SER 58 HG SER 58 -19.560 -14.383 2.699 477 H ASP 59 HN ASP 59 -19.619 -16.861 0.302 478 HA ASP 59 HA ASP 59 -20.262 -16.286 -2.416 479 HB2 ASP 59 HB2 ASP 59 -21.946 -17.173 -0.054 480 HB3 ASP 59 HB1 ASP 59 -22.607 -17.007 -1.680 481 H THR 60 HN THR 60 -21.315 -14.784 0.630 482 HA THR 60 HA THR 60 -23.129 -12.885 -0.544 483 HB THR 60 HB THR 60 -22.744 -11.640 1.654 484 HG1 THR 60 HG1 THR 60 -21.326 -13.886 2.515 485 HG21 THR 60 HG21 THR 60 -23.696 -13.501 3.061 486 HG22 THR 60 HG22 THR 60 -23.413 -14.592 1.704 487 HG23 THR 60 HG23 THR 60 -24.539 -13.246 1.533 488 H LEU 61 HN LEU 61 -19.744 -12.620 0.517 489 HA LEU 61 HA LEU 61 -19.320 -9.900 -0.231 490 HB2 LEU 61 HB2 LEU 61 -17.543 -12.285 0.250 491 HB3 LEU 61 HB1 LEU 61 -16.832 -10.809 -0.402 492 HG LEU 61 HG LEU 61 -17.658 -9.526 1.497 493 HD11 LEU 61 HD11 LEU 61 -18.909 -12.160 2.314 494 HD12 LEU 61 HD12 LEU 61 -19.733 -10.637 1.988 495 HD13 LEU 61 HD13 LEU 61 -18.715 -10.799 3.416 496 HD21 LEU 61 HD21 LEU 61 -16.288 -12.101 2.339 497 HD22 LEU 61 HD22 LEU 61 -16.330 -10.616 3.289 498 HD23 LEU 61 HD23 LEU 61 -15.486 -10.650 1.740 499 H HIS 62 HN HIS 62 -18.803 -12.928 -2.015 500 HA HIS 62 HA HIS 62 -17.664 -11.710 -4.355 501 HB2 HIS 62 HB2 HIS 62 -17.426 -14.120 -3.844 502 HB3 HIS 62 HB1 HIS 62 -19.159 -14.342 -4.087 503 HD1 HIS 62 HD1 HIS 62 -16.082 -13.192 -6.007 504 HD2 HIS 62 HD2 HIS 62 -19.880 -14.743 -6.744 505 HE1 HIS 62 HE1 HIS 62 -16.211 -13.612 -8.501 506 H LYS 63 HN LYS 63 -20.983 -12.620 -3.469 507 HA LYS 63 HA LYS 63 -22.191 -11.963 -5.985 508 HB2 LYS 63 HB2 LYS 63 -23.305 -13.322 -4.220 509 HB3 LYS 63 HB1 LYS 63 -23.439 -11.876 -3.217 510 HG2 LYS 63 HG2 LYS 63 -24.811 -10.782 -4.895 511 HG3 LYS 63 HG1 LYS 63 -24.595 -12.135 -6.005 512 HD2 LYS 63 HD2 LYS 63 -25.733 -13.625 -4.389 513 HD3 LYS 63 HD1 LYS 63 -25.978 -12.251 -3.309 514 HE2 LYS 63 HE2 LYS 63 -27.011 -12.390 -6.157 515 HE3 LYS 63 HE1 LYS 63 -27.981 -12.751 -4.729 516 HZ1 LYS 63 HZ1 LYS 63 -27.729 -10.546 -3.949 517 HZ2 LYS 63 HZ2 LYS 63 -28.177 -10.430 -5.584 518 HZ3 LYS 63 HZ3 LYS 63 -26.561 -10.179 -5.123 519 H SER 64 HN SER 64 -21.658 -10.084 -3.021 520 HA SER 64 HA SER 64 -22.907 -7.682 -4.123 521 HB2 SER 64 HB2 SER 64 -21.218 -8.087 -1.636 522 HB3 SER 64 HB1 SER 64 -22.094 -6.613 -2.038 523 HG SER 64 HG SER 64 -23.917 -7.553 -1.519 524 H ASN 65 HN ASN 65 -19.997 -9.194 -4.646 525 HA ASN 65 HA ASN 65 -18.002 -8.549 -5.659 526 HB2 ASN 65 HB2 ASN 65 -19.672 -7.470 -7.219 527 HB3 ASN 65 HB1 ASN 65 -19.435 -5.968 -6.325 528 HD21 ASN 65 HD21 ASN 65 -18.008 -4.658 -7.459 529 HD22 ASN 65 HD22 ASN 65 -16.612 -5.195 -8.263 530 H ILE 66 HN ILE 66 -18.179 -8.174 -2.925 531 HA ILE 66 HA ILE 66 -16.699 -5.604 -2.468 532 HB ILE 66 HB ILE 66 -18.235 -7.326 -0.498 533 HG12 ILE 66 HG12 ILE 66 -18.793 -4.517 -1.504 534 HG13 ILE 66 HG11 ILE 66 -19.583 -5.956 -2.145 535 HG21 ILE 66 HG21 ILE 66 -16.385 -6.314 0.643 536 HG22 ILE 66 HG22 ILE 66 -17.782 -5.300 0.990 537 HG23 ILE 66 HG23 ILE 66 -16.602 -4.792 -0.217 538 HD11 ILE 66 HD11 ILE 66 -19.749 -4.846 0.662 539 HD12 ILE 66 HD12 ILE 66 -20.284 -6.476 0.255 540 HD13 ILE 66 HD13 ILE 66 -21.065 -5.081 -0.487 541 H TYR 67 HN TYR 67 -14.641 -5.738 -1.897 542 HA TYR 67 HA TYR 67 -13.502 -8.406 -1.143 543 HB2 TYR 67 HB2 TYR 67 -12.274 -6.137 -2.713 544 HB3 TYR 67 HB1 TYR 67 -11.379 -7.540 -2.129 545 HD1 TYR 67 HD1 TYR 67 -12.321 -9.888 -2.754 546 HD2 TYR 67 HD2 TYR 67 -13.403 -6.257 -4.780 547 HE1 TYR 67 HE1 TYR 67 -13.076 -11.206 -4.714 548 HE2 TYR 67 HE2 TYR 67 -14.159 -7.575 -6.739 549 HH TYR 67 HH TYR 67 -14.942 -10.586 -6.740 550 HA PRO 68 HA PRO 68 -12.572 -5.651 2.416 551 HB2 PRO 68 HB2 PRO 68 -13.314 -7.326 4.392 552 HB3 PRO 68 HB1 PRO 68 -14.508 -6.406 3.453 553 HG2 PRO 68 HG2 PRO 68 -13.749 -9.277 3.248 554 HG3 PRO 68 HG1 PRO 68 -15.334 -8.512 3.043 555 HD2 PRO 68 HD2 PRO 68 -13.605 -9.278 0.958 556 HD3 PRO 68 HD1 PRO 68 -14.984 -8.171 0.794 557 H PHE 69 HN PHE 69 -10.679 -5.621 3.620 558 HA PHE 69 HA PHE 69 -9.177 -8.096 4.097 559 HB2 PHE 69 HB2 PHE 69 -7.163 -7.350 2.917 560 HB3 PHE 69 HB1 PHE 69 -8.512 -7.521 1.796 561 HD1 PHE 69 HD1 PHE 69 -6.336 -5.137 3.573 562 HD2 PHE 69 HD2 PHE 69 -9.562 -5.570 0.772 563 HE1 PHE 69 HE1 PHE 69 -6.069 -2.765 2.900 564 HE2 PHE 69 HE2 PHE 69 -9.296 -3.197 0.099 565 HZ PHE 69 HZ PHE 69 -7.549 -1.795 1.163 566 H ILE 70 HN ILE 70 -7.377 -7.803 5.471 567 HA ILE 70 HA ILE 70 -7.364 -5.224 7.003 568 HB ILE 70 HB ILE 70 -7.081 -8.061 8.046 569 HG12 ILE 70 HG12 ILE 70 -9.119 -5.923 8.732 570 HG13 ILE 70 HG11 ILE 70 -9.404 -7.166 7.514 571 HG21 ILE 70 HG21 ILE 70 -7.093 -6.697 10.283 572 HG22 ILE 70 HG22 ILE 70 -6.564 -5.357 9.269 573 HG23 ILE 70 HG23 ILE 70 -5.592 -6.819 9.370 574 HD11 ILE 70 HD11 ILE 70 -10.277 -7.686 9.858 575 HD12 ILE 70 HD12 ILE 70 -8.589 -7.834 10.350 576 HD13 ILE 70 HD13 ILE 70 -9.251 -8.921 9.129 577 H LEU 71 HN LEU 71 -5.446 -4.308 7.205 578 HA LEU 71 HA LEU 71 -3.033 -5.749 6.204 579 HB2 LEU 71 HB2 LEU 71 -3.553 -2.782 6.623 580 HB3 LEU 71 HB1 LEU 71 -2.068 -3.473 5.972 581 HG LEU 71 HG LEU 71 -4.815 -3.798 4.723 582 HD11 LEU 71 HD11 LEU 71 -2.470 -1.998 4.066 583 HD12 LEU 71 HD12 LEU 71 -4.125 -1.509 4.438 584 HD13 LEU 71 HD13 LEU 71 -3.768 -2.339 2.923 585 HD21 LEU 71 HD21 LEU 71 -2.072 -4.824 4.053 586 HD22 LEU 71 HD22 LEU 71 -3.227 -4.505 2.757 587 HD23 LEU 71 HD23 LEU 71 -3.625 -5.654 4.024 588 H TYR 72 HN TYR 72 -1.453 -6.267 7.539 589 HA TYR 72 HA TYR 72 -1.108 -4.821 10.086 590 HB2 TYR 72 HB2 TYR 72 -0.969 -7.020 11.322 591 HB3 TYR 72 HB1 TYR 72 -2.589 -6.534 10.827 592 HD1 TYR 72 HD1 TYR 72 -3.482 -7.452 8.597 593 HD2 TYR 72 HD2 TYR 72 -0.092 -9.105 10.645 594 HE1 TYR 72 HE1 TYR 72 -3.752 -9.568 7.329 595 HE2 TYR 72 HE2 TYR 72 -0.354 -11.221 9.377 596 HH TYR 72 HH TYR 72 -2.801 -11.539 6.823 597 H TYR 73 HN TYR 73 0.921 -5.161 11.037 598 HA TYR 73 HA TYR 73 2.964 -6.564 9.368 599 HB2 TYR 73 HB2 TYR 73 3.067 -4.192 8.784 600 HB3 TYR 73 HB1 TYR 73 3.144 -3.746 10.488 601 HD1 TYR 73 HD1 TYR 73 4.914 -5.791 7.898 602 HD2 TYR 73 HD2 TYR 73 5.235 -3.573 11.564 603 HE1 TYR 73 HE1 TYR 73 7.378 -6.067 7.850 604 HE2 TYR 73 HE2 TYR 73 7.700 -3.848 11.515 605 HH TYR 73 HH TYR 73 9.467 -4.261 9.606 606 H GLN 74 HN GLN 74 4.052 -7.927 10.575 607 HA GLN 74 HA GLN 74 4.965 -9.031 12.404 608 HB2 GLN 74 HB2 GLN 74 5.274 -6.174 13.351 609 HB3 GLN 74 HB1 GLN 74 6.046 -7.564 14.107 610 HG2 GLN 74 HG2 GLN 74 6.404 -6.775 11.199 611 HG3 GLN 74 HG1 GLN 74 7.541 -6.381 12.486 612 HE21 GLN 74 HE21 GLN 74 7.777 -8.715 13.937 613 HE22 GLN 74 HE22 GLN 74 8.313 -9.988 12.949 614 H LYS 75 HN LYS 75 2.311 -9.218 12.445 615 HA LYS 75 HA LYS 75 0.468 -9.633 13.818 616 HB2 LYS 75 HB2 LYS 75 2.543 -9.582 16.029 617 HB3 LYS 75 HB1 LYS 75 0.964 -10.364 16.081 618 HG2 LYS 75 HG2 LYS 75 3.174 -11.085 14.129 619 HG3 LYS 75 HG1 LYS 75 2.818 -11.973 15.610 620 HD2 LYS 75 HD2 LYS 75 0.412 -12.181 14.685 621 HD3 LYS 75 HD1 LYS 75 1.104 -11.693 13.137 622 HE2 LYS 75 HE2 LYS 75 2.687 -13.562 13.223 623 HE3 LYS 75 HE1 LYS 75 2.037 -14.053 14.786 624 HZ1 LYS 75 HZ1 LYS 75 -0.067 -13.740 12.934 625 HZ2 LYS 75 HZ2 LYS 75 0.413 -15.137 13.775 626 HZ3 LYS 75 HZ3 LYS 75 1.110 -14.764 12.270 627 H GLN 76 HN GLN 76 0.762 -7.022 13.111 628 HA GLN 76 HA GLN 76 -0.490 -5.677 15.426 629 HB2 GLN 76 HB2 GLN 76 1.969 -5.180 15.538 630 HB3 GLN 76 HB1 GLN 76 1.831 -4.407 13.958 631 HG2 GLN 76 HG2 GLN 76 0.180 -2.832 14.835 632 HG3 GLN 76 HG1 GLN 76 0.228 -3.630 16.407 633 HE21 GLN 76 HE21 GLN 76 0.917 -0.839 16.023 634 HE22 GLN 76 HE22 GLN 76 2.563 -0.659 16.399 635 H LEU 77 HN LEU 77 -2.211 -4.638 14.759 636 HA LEU 77 HA LEU 77 -3.035 -4.513 12.033 637 HB2 LEU 77 HB2 LEU 77 -4.563 -4.552 14.031 638 HB3 LEU 77 HB1 LEU 77 -4.085 -2.894 14.385 639 HG LEU 77 HG LEU 77 -4.886 -2.226 12.105 640 HD11 LEU 77 HD11 LEU 77 -6.576 -4.066 11.180 641 HD12 LEU 77 HD12 LEU 77 -5.479 -5.172 11.995 642 HD13 LEU 77 HD13 LEU 77 -4.877 -4.099 10.733 643 HD21 LEU 77 HD21 LEU 77 -7.049 -3.646 13.679 644 HD22 LEU 77 HD22 LEU 77 -7.212 -2.194 12.691 645 HD23 LEU 77 HD23 LEU 77 -6.317 -2.130 14.208 646 H ILE 78 HN ILE 78 -2.606 -3.070 10.513 647 HA ILE 78 HA ILE 78 -1.283 -0.487 11.248 648 HB ILE 78 HB ILE 78 -1.256 -2.117 8.681 649 HG12 ILE 78 HG12 ILE 78 0.189 -2.979 10.489 650 HG13 ILE 78 HG11 ILE 78 1.158 -2.328 9.173 651 HG21 ILE 78 HG21 ILE 78 -1.242 0.197 8.030 652 HG22 ILE 78 HG22 ILE 78 0.431 -0.357 7.957 653 HG23 ILE 78 HG23 ILE 78 -0.117 0.612 9.323 654 HD11 ILE 78 HD11 ILE 78 0.795 -1.320 11.953 655 HD12 ILE 78 HD12 ILE 78 0.961 -0.095 10.703 656 HD13 ILE 78 HD13 ILE 78 2.224 -1.293 10.933 657 H ALA 79 HN ALA 79 -3.673 -1.936 9.058 658 HA ALA 79 HA ALA 79 -5.416 0.375 9.335 659 HB1 ALA 79 HB1 ALA 79 -5.360 1.143 7.062 660 HB2 ALA 79 HB2 ALA 79 -4.278 -0.168 6.586 661 HB3 ALA 79 HB3 ALA 79 -3.695 1.119 7.641 662 H ILE 80 HN ILE 80 -7.426 0.087 8.191 663 HA ILE 80 HA ILE 80 -7.983 -2.686 7.226 664 HB ILE 80 HB ILE 80 -9.652 -1.116 9.226 665 HG12 ILE 80 HG12 ILE 80 -8.248 -3.786 9.530 666 HG13 ILE 80 HG11 ILE 80 -7.583 -2.259 10.111 667 HG21 ILE 80 HG21 ILE 80 -11.102 -2.332 7.708 668 HG22 ILE 80 HG22 ILE 80 -11.030 -3.227 9.222 669 HG23 ILE 80 HG23 ILE 80 -10.093 -3.772 7.832 670 HD11 ILE 80 HD11 ILE 80 -8.863 -3.627 11.841 671 HD12 ILE 80 HD12 ILE 80 -10.322 -3.263 10.923 672 HD13 ILE 80 HD13 ILE 80 -9.393 -1.956 11.653 673 H GLY 81 HN GLY 81 -9.597 -2.791 5.641 674 HA2 GLY 81 HA2 GLY 81 -11.338 -0.622 4.956 675 HA3 GLY 81 HA1 GLY 81 -9.906 -0.545 3.935 676 H PHE 82 HN PHE 82 -12.355 -0.940 2.809 677 HA PHE 82 HA PHE 82 -12.015 -3.609 1.595 678 HB2 PHE 82 HB2 PHE 82 -14.361 -4.207 1.818 679 HB3 PHE 82 HB1 PHE 82 -13.708 -3.899 3.425 680 HD1 PHE 82 HD2 PHE 82 -14.286 -1.837 4.651 681 HD2 PHE 82 HD1 PHE 82 -16.001 -2.729 0.815 682 HE1 PHE 82 HE2 PHE 82 -16.036 -0.123 5.034 683 HE2 PHE 82 HE1 PHE 82 -17.753 -1.016 1.200 684 HZ PHE 82 HZ PHE 82 -17.770 0.287 3.310 685 H ILE 83 HN ILE 83 -13.036 -3.770 -0.464 686 HA ILE 83 HA ILE 83 -13.470 -1.098 -1.746 687 HB ILE 83 HB ILE 83 -12.849 -3.691 -3.175 688 HG12 ILE 83 HG12 ILE 83 -10.932 -1.670 -1.971 689 HG13 ILE 83 HG11 ILE 83 -11.038 -3.385 -1.582 690 HG21 ILE 83 HG21 ILE 83 -12.204 -0.831 -3.919 691 HG22 ILE 83 HG22 ILE 83 -13.734 -1.595 -4.352 692 HG23 ILE 83 HG23 ILE 83 -12.216 -2.247 -4.969 693 HD11 ILE 83 HD11 ILE 83 -9.221 -3.279 -3.083 694 HD12 ILE 83 HD12 ILE 83 -10.021 -2.089 -4.110 695 HD13 ILE 83 HD13 ILE 83 -10.568 -3.768 -4.113 696 H ASP 84 HN ASP 84 -15.465 -0.633 -2.333 697 HA ASP 84 HA ASP 84 -17.551 -2.723 -2.337 698 HB2 ASP 84 HB2 ASP 84 -19.126 -0.862 -2.452 699 HB3 ASP 84 HB1 ASP 84 -17.954 -0.575 -1.169 700 H GLU 85 HN GLU 85 -19.337 -2.071 -4.092 701 HA GLU 85 HA GLU 85 -18.333 -2.972 -6.598 702 HB2 GLU 85 HB2 GLU 85 -20.753 -3.051 -5.599 703 HB3 GLU 85 HB1 GLU 85 -20.935 -1.452 -6.319 704 HG2 GLU 85 HG2 GLU 85 -20.036 -3.914 -7.846 705 HG3 GLU 85 HG1 GLU 85 -21.692 -3.314 -7.824 706 H ASN 86 HN ASN 86 -18.948 0.243 -5.316 707 HA ASN 86 HA ASN 86 -18.619 1.602 -7.874 708 HB2 ASN 86 HB2 ASN 86 -19.942 2.524 -5.939 709 HB3 ASN 86 HB1 ASN 86 -18.423 2.770 -5.077 710 HD21 ASN 86 HD21 ASN 86 -18.413 5.091 -5.124 711 HD22 ASN 86 HD22 ASN 86 -18.325 5.983 -6.566 712 H HIS 87 HN HIS 87 -16.481 -0.182 -6.388 713 HA HIS 87 HA HIS 87 -14.155 -0.301 -6.314 714 HB2 HIS 87 HB2 HIS 87 -14.409 0.342 -8.703 715 HB3 HIS 87 HB1 HIS 87 -14.302 2.040 -8.238 716 HD1 HIS 87 HD1 HIS 87 -11.998 2.879 -7.289 717 HD2 HIS 87 HD2 HIS 87 -11.949 -1.045 -8.695 718 HE1 HIS 87 HE1 HIS 87 -9.561 2.218 -7.481 719 H ASP 88 HN ASP 88 -15.875 2.152 -5.031 720 HA ASP 88 HA ASP 88 -13.861 4.071 -4.299 721 HB2 ASP 88 HB2 ASP 88 -16.294 4.541 -4.199 722 HB3 ASP 88 HB1 ASP 88 -16.453 3.382 -2.879 723 H MET 89 HN MET 89 -12.474 4.114 -2.631 724 HA MET 89 HA MET 89 -12.074 1.624 -1.105 725 HB2 MET 89 HB2 MET 89 -10.470 4.205 -1.173 726 HB3 MET 89 HB1 MET 89 -9.992 2.729 -0.340 727 HG2 MET 89 HG2 MET 89 -10.494 2.953 -3.322 728 HG3 MET 89 HG1 MET 89 -8.905 2.921 -2.566 729 HE1 MET 89 HE1 MET 89 -9.301 0.499 -0.185 730 HE2 MET 89 HE2 MET 89 -8.050 1.303 -1.128 731 HE3 MET 89 HE3 MET 89 -8.276 -0.436 -1.282 732 H ASP 90 HN ASP 90 -12.945 1.335 0.796 733 HA ASP 90 HA ASP 90 -13.864 3.686 2.397 734 HB2 ASP 90 HB2 ASP 90 -14.717 0.783 2.338 735 HB3 ASP 90 HB1 ASP 90 -15.227 1.906 3.600 736 H PHE 91 HN PHE 91 -12.527 4.245 3.960 737 HA PHE 91 HA PHE 91 -10.793 2.190 5.270 738 HB2 PHE 91 HB2 PHE 91 -10.608 5.203 5.041 739 HB3 PHE 91 HB1 PHE 91 -9.609 4.273 6.159 740 HD1 PHE 91 HD2 PHE 91 -8.115 2.451 5.264 741 HD2 PHE 91 HD1 PHE 91 -10.106 5.270 2.708 742 HE1 PHE 91 HE2 PHE 91 -6.551 1.886 3.425 743 HE2 PHE 91 HE1 PHE 91 -8.541 4.705 0.867 744 HZ PHE 91 HZ PHE 91 -6.763 3.014 1.227 745 H LEU 92 HN LEU 92 -11.441 1.483 7.175 746 HA LEU 92 HA LEU 92 -13.357 3.099 8.807 747 HB2 LEU 92 HB2 LEU 92 -12.572 0.185 9.139 748 HB3 LEU 92 HB1 LEU 92 -13.933 1.020 9.882 749 HG LEU 92 HG LEU 92 -13.577 0.578 6.907 750 HD11 LEU 92 HD11 LEU 92 -15.541 -0.673 8.854 751 HD12 LEU 92 HD12 LEU 92 -14.121 -1.488 8.198 752 HD13 LEU 92 HD13 LEU 92 -15.433 -1.000 7.125 753 HD21 LEU 92 HD21 LEU 92 -15.622 2.028 8.587 754 HD22 LEU 92 HD22 LEU 92 -16.084 1.325 7.038 755 HD23 LEU 92 HD23 LEU 92 -14.831 2.556 7.101 756 H TYR 93 HN TYR 93 -10.117 1.803 8.750 757 HA TYR 93 HA TYR 93 -9.495 3.279 11.218 758 HB2 TYR 93 HB2 TYR 93 -10.188 1.125 12.133 759 HB3 TYR 93 HB1 TYR 93 -9.089 0.282 11.039 760 HD1 TYR 93 HD2 TYR 93 -9.206 2.770 13.821 761 HD2 TYR 93 HD1 TYR 93 -6.795 0.009 11.581 762 HE1 TYR 93 HE2 TYR 93 -7.358 3.060 15.451 763 HE2 TYR 93 HE1 TYR 93 -4.949 0.299 13.210 764 HH TYR 93 HH TYR 93 -5.377 1.777 16.227 765 H LEU 94 HN LEU 94 -7.811 4.412 10.602 766 HA LEU 94 HA LEU 94 -5.711 3.143 8.890 767 HB2 LEU 94 HB2 LEU 94 -6.908 5.069 7.846 768 HB3 LEU 94 HB1 LEU 94 -6.388 6.091 9.184 769 HG LEU 94 HG LEU 94 -4.016 5.598 8.604 770 HD11 LEU 94 HD11 LEU 94 -3.817 4.635 6.143 771 HD12 LEU 94 HD12 LEU 94 -5.365 3.889 6.524 772 HD13 LEU 94 HD13 LEU 94 -3.945 3.537 7.511 773 HD21 LEU 94 HD21 LEU 94 -3.921 7.104 6.764 774 HD22 LEU 94 HD22 LEU 94 -5.401 7.535 7.616 775 HD23 LEU 94 HD23 LEU 94 -5.480 6.569 6.143 776 H HIS 95 HN HIS 95 -3.850 2.794 9.875 777 HA HIS 95 HA HIS 95 -2.903 4.626 11.991 778 HB2 HIS 95 HB2 HIS 95 -4.052 2.906 13.262 779 HB3 HIS 95 HB1 HIS 95 -3.191 1.641 12.383 780 HD1 HIS 95 HD1 HIS 95 -0.872 4.321 12.853 781 HD2 HIS 95 HD2 HIS 95 -2.292 1.262 15.304 782 HE1 HIS 95 HE1 HIS 95 0.785 4.107 14.758 783 H ASN 96 HN ASN 96 -1.133 5.292 10.969 784 HA ASN 96 HA ASN 96 0.518 3.620 9.284 785 HB2 ASN 96 HB2 ASN 96 0.273 6.161 9.157 786 HB3 ASN 96 HB1 ASN 96 1.321 6.237 10.574 787 HD21 ASN 96 HD21 ASN 96 3.053 7.259 9.323 788 HD22 ASN 96 HD22 ASN 96 3.968 6.369 8.203 789 H THR 97 HN THR 97 2.854 3.312 9.753 790 HA THR 97 HA THR 97 3.255 1.786 12.117 791 HB THR 97 HB THR 97 5.302 3.035 10.247 792 HG1 THR 97 HG1 THR 97 3.981 0.534 10.344 793 HG21 THR 97 HG21 THR 97 5.512 0.933 12.408 794 HG22 THR 97 HG22 THR 97 6.434 2.430 12.264 795 HG23 THR 97 HG23 THR 97 6.717 1.106 11.131 796 H VAL 98 HN VAL 98 4.277 5.084 11.273 797 HA VAL 98 HA VAL 98 5.585 5.532 13.832 798 HB VAL 98 HB VAL 98 4.739 7.438 11.620 799 HG11 VAL 98 HG11 VAL 98 6.315 7.868 14.165 800 HG12 VAL 98 HG12 VAL 98 4.884 8.741 13.619 801 HG13 VAL 98 HG13 VAL 98 6.423 8.964 12.789 802 HG21 VAL 98 HG21 VAL 98 7.205 7.462 11.171 803 HG22 VAL 98 HG22 VAL 98 6.483 5.871 10.926 804 HG23 VAL 98 HG23 VAL 98 7.405 6.206 12.391 805 H MET 99 HN MET 99 2.951 7.489 12.424 806 HA MET 99 HA MET 99 1.466 7.234 14.989 807 HB2 MET 99 HB2 MET 99 1.044 9.635 15.048 808 HB3 MET 99 HB1 MET 99 2.782 9.337 15.034 809 HG2 MET 99 HG2 MET 99 2.634 9.606 12.475 810 HG3 MET 99 HG1 MET 99 1.030 10.281 12.757 811 HE1 MET 99 HE1 MET 99 1.568 12.813 11.834 812 HE2 MET 99 HE2 MET 99 2.846 11.771 11.213 813 HE3 MET 99 HE3 MET 99 3.257 13.335 11.912 814 HA PRO 100 HA PRO 100 -1.968 6.684 12.219 815 HB2 PRO 100 HB2 PRO 100 -4.048 7.223 13.927 816 HB3 PRO 100 HB1 PRO 100 -3.094 5.730 14.012 817 HG2 PRO 100 HG2 PRO 100 -2.871 8.206 15.666 818 HG3 PRO 100 HG1 PRO 100 -2.769 6.505 16.160 819 HD2 PRO 100 HD2 PRO 100 -0.557 8.069 15.799 820 HD3 PRO 100 HD1 PRO 100 -0.555 6.310 15.528 821 H LEU 101 HN LEU 101 -3.278 7.882 10.870 822 HA LEU 101 HA LEU 101 -3.169 10.852 11.213 823 HB2 LEU 101 HB2 LEU 101 -3.993 9.247 8.769 824 HB3 LEU 101 HB1 LEU 101 -3.638 10.972 8.842 825 HG LEU 101 HG LEU 101 -1.648 8.752 9.391 826 HD11 LEU 101 HD11 LEU 101 -1.698 10.712 7.087 827 HD12 LEU 101 HD12 LEU 101 -2.419 9.105 6.981 828 HD13 LEU 101 HD13 LEU 101 -0.686 9.279 7.266 829 HD21 LEU 101 HD21 LEU 101 -0.930 10.593 10.680 830 HD22 LEU 101 HD22 LEU 101 -1.512 11.768 9.498 831 HD23 LEU 101 HD23 LEU 101 -0.066 10.817 9.161 832 H LEU 102 HN LEU 102 -5.437 8.308 10.138 833 HA LEU 102 HA LEU 102 -7.698 9.991 11.183 834 HB2 LEU 102 HB2 LEU 102 -7.752 8.009 8.885 835 HB3 LEU 102 HB1 LEU 102 -9.079 9.041 9.421 836 HG LEU 102 HG LEU 102 -6.414 10.047 8.377 837 HD11 LEU 102 HD11 LEU 102 -9.120 10.253 7.045 838 HD12 LEU 102 HD12 LEU 102 -8.005 8.930 6.709 839 HD13 LEU 102 HD13 LEU 102 -7.537 10.592 6.347 840 HD21 LEU 102 HD21 LEU 102 -7.180 11.754 9.777 841 HD22 LEU 102 HD22 LEU 102 -8.879 11.370 9.501 842 HD23 LEU 102 HD23 LEU 102 -7.948 12.203 8.259 843 H ASP 103 HN ASP 103 -8.807 9.120 12.770 844 HA ASP 103 HA ASP 103 -9.245 6.222 12.936 845 HB2 ASP 103 HB2 ASP 103 -8.384 6.043 15.239 846 HB3 ASP 103 HB1 ASP 103 -7.103 6.472 14.110 847 H GLN 104 HN GLN 104 -11.418 6.626 12.773 848 HA GLN 104 HA GLN 104 -12.691 8.156 15.022 849 HB2 GLN 104 HB2 GLN 104 -13.575 7.803 12.146 850 HB3 GLN 104 HB1 GLN 104 -14.624 8.433 13.418 851 HG2 GLN 104 HG2 GLN 104 -13.028 10.245 13.867 852 HG3 GLN 104 HG1 GLN 104 -11.944 9.612 12.628 853 HE21 GLN 104 HE21 GLN 104 -13.615 12.223 12.843 854 HE22 GLN 104 HE22 GLN 104 -14.431 12.297 11.356 855 H ARG 105 HN ARG 105 -13.572 6.813 16.415 856 HA ARG 105 HA ARG 105 -14.061 4.028 15.941 857 HB2 ARG 105 HB2 ARG 105 -14.968 5.923 18.127 858 HB3 ARG 105 HB1 ARG 105 -15.327 4.195 18.144 859 HG2 ARG 105 HG2 ARG 105 -12.911 3.695 18.021 860 HG3 ARG 105 HG1 ARG 105 -12.556 5.423 18.028 861 HD2 ARG 105 HD2 ARG 105 -13.670 5.635 20.226 862 HD3 ARG 105 HD1 ARG 105 -13.984 3.899 20.228 863 HE ARG 105 HE ARG 105 -11.384 5.194 20.691 864 HH11 ARG 105 HH21 ARG 105 -13.154 2.316 19.906 865 HH12 ARG 105 HH22 ARG 105 -11.882 1.255 20.412 866 HH21 ARG 105 HH11 ARG 105 -9.741 3.814 21.346 867 HH22 ARG 105 HH12 ARG 105 -9.957 2.100 21.223 868 H TYR 106 HN TYR 106 -16.092 6.904 15.845 869 HA TYR 106 HA TYR 106 -18.650 5.683 15.747 870 HB2 TYR 106 HB2 TYR 106 -17.776 8.215 14.302 871 HB3 TYR 106 HB1 TYR 106 -19.423 7.779 14.754 872 HD1 TYR 106 HD1 TYR 106 -20.027 7.572 17.199 873 HD2 TYR 106 HD2 TYR 106 -16.292 9.238 15.882 874 HE1 TYR 106 HE1 TYR 106 -19.704 8.611 19.427 875 HE2 TYR 106 HE2 TYR 106 -15.968 10.276 18.112 876 HH TYR 106 HH TYR 106 -16.883 10.679 20.105 877 H LEU 107 HN LEU 107 -16.425 6.557 13.114 878 HA LEU 107 HA LEU 107 -18.086 5.643 10.979 879 HB2 LEU 107 HB2 LEU 107 -16.157 7.136 10.604 880 HB3 LEU 107 HB1 LEU 107 -15.054 5.870 11.143 881 HG LEU 107 HG LEU 107 -15.775 4.435 9.266 882 HD11 LEU 107 HD11 LEU 107 -17.992 4.964 8.777 883 HD12 LEU 107 HD12 LEU 107 -17.164 5.785 7.459 884 HD13 LEU 107 HD13 LEU 107 -17.710 6.704 8.861 885 HD21 LEU 107 HD21 LEU 107 -14.724 5.683 7.484 886 HD22 LEU 107 HD22 LEU 107 -13.908 6.094 8.992 887 HD23 LEU 107 HD23 LEU 107 -15.074 7.212 8.285 888 H LEU 108 HN LEU 108 -15.612 4.094 12.963 889 HA LEU 108 HA LEU 108 -15.441 1.648 11.518 890 HB2 LEU 108 HB2 LEU 108 -14.040 2.649 13.587 891 HB3 LEU 108 HB1 LEU 108 -15.140 1.633 14.516 892 HG LEU 108 HG LEU 108 -13.403 0.701 12.214 893 HD11 LEU 108 HD11 LEU 108 -13.205 0.314 15.207 894 HD12 LEU 108 HD12 LEU 108 -12.038 1.113 14.153 895 HD13 LEU 108 HD13 LEU 108 -12.287 -0.629 14.035 896 HD21 LEU 108 HD21 LEU 108 -15.543 -0.619 13.872 897 HD22 LEU 108 HD22 LEU 108 -14.198 -1.586 13.269 898 HD23 LEU 108 HD23 LEU 108 -15.241 -0.733 12.138 899 H THR 109 HN THR 109 -17.511 2.632 14.242 900 HA THR 109 HA THR 109 -18.980 0.048 14.080 901 HB THR 109 HB THR 109 -20.050 0.727 16.145 902 HG1 THR 109 HG1 THR 109 -20.033 3.035 15.368 903 HG21 THR 109 HG21 THR 109 -17.145 1.565 16.308 904 HG22 THR 109 HG22 THR 109 -17.678 -0.115 16.229 905 HG23 THR 109 HG23 THR 109 -18.136 0.891 17.603 906 H GLY 110 HN GLY 110 -19.051 3.013 12.619 907 HA2 GLY 110 HA2 GLY 110 -20.625 3.860 11.090 908 HA3 GLY 110 HA1 GLY 110 -21.736 2.573 11.558 909 H GLY 111 HN GLY 111 -20.552 5.767 12.346 910 HA2 GLY 111 HA2 GLY 111 -22.111 6.256 14.686 911 HA3 GLY 111 HA1 GLY 111 -21.456 7.498 13.622 912 H GLN 112 HN GLN 112 -23.990 7.582 14.876 913 HA GLN 112 HA GLN 112 -26.152 6.805 13.199 914 HB2 GLN 112 HB2 GLN 112 -25.890 9.053 15.215 915 HB3 GLN 112 HB1 GLN 112 -27.409 8.624 14.424 916 HG2 GLN 112 HG2 GLN 112 -27.265 6.349 15.321 917 HG3 GLN 112 HG1 GLN 112 -25.714 6.725 16.072 918 HE21 GLN 112 HE21 GLN 112 -28.968 6.489 16.772 919 HE22 GLN 112 HE22 GLN 112 -29.041 7.537 18.106 920 H LEU 113 HN LEU 113 -27.648 8.613 12.310 921 HA LEU 113 HA LEU 113 -26.127 9.976 10.189 922 HB2 LEU 113 HB2 LEU 113 -29.068 9.474 10.722 923 HB3 LEU 113 HB1 LEU 113 -28.549 10.604 9.470 924 HG LEU 113 HG LEU 113 -27.177 8.814 8.440 925 HD11 LEU 113 HD11 LEU 113 -27.773 6.432 9.247 926 HD12 LEU 113 HD12 LEU 113 -28.332 7.214 10.726 927 HD13 LEU 113 HD13 LEU 113 -26.646 7.362 10.234 928 HD21 LEU 113 HD21 LEU 113 -29.372 9.105 7.516 929 HD22 LEU 113 HD22 LEU 113 -30.125 8.270 8.874 930 HD23 LEU 113 HD23 LEU 113 -29.149 7.367 7.716 931 H GLU 114 HN GLU 114 -27.013 10.736 13.290 932 HA GLU 114 HA GLU 114 -26.373 13.522 12.963 933 HB2 GLU 114 HB2 GLU 114 -28.486 14.543 13.477 934 HB3 GLU 114 HB1 GLU 114 -28.748 13.460 12.114 935 HG2 GLU 114 HG2 GLU 114 -30.546 12.905 13.505 936 HG3 GLU 114 HG1 GLU 114 -29.355 11.692 13.965 937 H HIS 115 HN HIS 115 -25.580 14.249 14.848 938 HA HIS 115 HA HIS 115 -26.533 13.145 17.425 939 HB2 HIS 115 HB2 HIS 115 -24.687 11.632 16.662 940 HB3 HIS 115 HB1 HIS 115 -23.605 13.024 16.634 941 HD1 HIS 115 HD1 HIS 115 -22.566 13.713 18.824 942 HD2 HIS 115 HD2 HIS 115 -25.758 11.084 19.358 943 HE1 HIS 115 HE1 HIS 115 -22.605 13.122 21.288 944 H HIS 116 HN HIS 116 -26.027 15.730 15.674 945 HA HIS 116 HA HIS 116 -24.290 17.425 17.205 946 HB2 HIS 116 HB2 HIS 116 -26.585 17.980 15.308 947 HB3 HIS 116 HB1 HIS 116 -25.650 19.273 16.060 948 HD1 HIS 116 HD1 HIS 116 -25.263 16.343 13.695 949 HD2 HIS 116 HD2 HIS 116 -23.101 19.676 14.954 950 HE1 HIS 116 HE1 HIS 116 -23.242 16.500 12.177 951 H HIS 117 HN HIS 117 -27.784 16.802 17.323 952 HA HIS 117 HA HIS 117 -27.838 17.934 20.079 953 HB2 HIS 117 HB2 HIS 117 -29.692 18.734 17.816 954 HB3 HIS 117 HB1 HIS 117 -29.998 19.092 19.516 955 HD1 HIS 117 HD1 HIS 117 -27.664 19.946 16.684 956 HD2 HIS 117 HD2 HIS 117 -28.380 21.139 20.614 957 HE1 HIS 117 HE1 HIS 117 -26.311 22.056 17.051 958 H HIS 118 HN HIS 118 -29.243 16.918 21.424 959 HA HIS 118 HA HIS 118 -31.289 15.069 20.402 960 HB2 HIS 118 HB2 HIS 118 -30.308 13.197 21.860 961 HB3 HIS 118 HB1 HIS 118 -29.468 13.538 20.349 962 HD1 HIS 118 HD1 HIS 118 -29.235 15.042 23.868 963 HD2 HIS 118 HD2 HIS 118 -26.769 13.543 20.858 964 HE1 HIS 118 HE1 HIS 118 -26.854 15.299 24.695 965 H HIS 119 HN HIS 119 -29.828 16.972 22.868 966 HA HIS 119 HA HIS 119 -31.272 16.112 25.172 967 HB2 HIS 119 HB2 HIS 119 -29.333 17.653 25.263 968 HB3 HIS 119 HB1 HIS 119 -30.288 18.901 24.463 969 HD1 HIS 119 HD1 HIS 119 -30.363 16.788 27.632 970 HD2 HIS 119 HD2 HIS 119 -31.819 20.423 26.202 971 HE1 HIS 119 HE1 HIS 119 -31.494 17.927 29.592 972 H HIS 120 HN HIS 120 -32.017 18.558 22.708 973 HA HIS 120 HA HIS 120 -33.972 19.828 22.358 974 HB2 HIS 120 HB2 HIS 120 -35.006 16.994 22.649 975 HB3 HIS 120 HB1 HIS 120 -35.926 18.325 21.946 976 HD1 HIS 120 HD1 HIS 120 -35.441 16.128 20.019 977 HD2 HIS 120 HD2 HIS 120 -32.592 19.113 20.621 978 HE1 HIS 120 HE1 HIS 120 -33.981 16.154 17.950 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -12.002 -5.052 23.304 2 H2 MET 1 HT2 MET 1 -11.908 -6.309 22.165 3 H3 MET 1 HT3 MET 1 -13.396 -5.926 22.892 4 HA MET 1 HA MET 1 -13.773 -4.751 21.041 5 HB2 MET 1 HB2 MET 1 -11.707 -2.942 22.334 6 HB3 MET 1 HB1 MET 1 -12.976 -2.440 21.216 7 HG2 MET 1 HG2 MET 1 -13.927 -1.954 23.307 8 HG3 MET 1 HG1 MET 1 -14.599 -3.545 22.954 9 HE1 MET 1 HE1 MET 1 -14.178 -2.245 26.152 10 HE2 MET 1 HE2 MET 1 -14.256 -3.935 26.644 11 HE3 MET 1 HE3 MET 1 -15.227 -3.375 25.285 12 H THR 2 HN THR 2 -12.625 -6.416 19.707 13 HA THR 2 HA THR 2 -9.953 -5.618 18.699 14 HB THR 2 HB THR 2 -10.163 -7.771 17.399 15 HG1 THR 2 HG1 THR 2 -11.917 -9.121 18.240 16 HG21 THR 2 HG21 THR 2 -10.481 -7.761 20.407 17 HG22 THR 2 HG22 THR 2 -8.984 -7.857 19.478 18 HG23 THR 2 HG23 THR 2 -10.101 -9.221 19.494 19 H LEU 3 HN LEU 3 -9.638 -4.724 16.715 20 HA LEU 3 HA LEU 3 -11.795 -3.485 15.308 21 HB2 LEU 3 HB2 LEU 3 -8.884 -3.980 14.722 22 HB3 LEU 3 HB1 LEU 3 -9.920 -3.311 13.465 23 HG LEU 3 HG LEU 3 -10.556 -1.457 14.931 24 HD11 LEU 3 HD11 LEU 3 -9.256 -1.246 17.123 25 HD12 LEU 3 HD12 LEU 3 -8.843 -2.948 16.928 26 HD13 LEU 3 HD13 LEU 3 -10.531 -2.466 17.093 27 HD21 LEU 3 HD21 LEU 3 -8.515 -0.260 14.833 28 HD22 LEU 3 HD22 LEU 3 -8.344 -1.484 13.576 29 HD23 LEU 3 HD23 LEU 3 -7.550 -1.704 15.136 30 H GLU 4 HN GLU 4 -9.985 -6.477 14.709 31 HA GLU 4 HA GLU 4 -11.084 -7.129 12.181 32 HB2 GLU 4 HB2 GLU 4 -9.201 -8.341 13.268 33 HB3 GLU 4 HB1 GLU 4 -10.336 -9.019 14.433 34 HG2 GLU 4 HG2 GLU 4 -11.573 -10.121 12.623 35 HG3 GLU 4 HG1 GLU 4 -10.484 -9.408 11.431 36 H LEU 5 HN LEU 5 -12.250 -7.945 15.452 37 HA LEU 5 HA LEU 5 -14.558 -9.398 14.599 38 HB2 LEU 5 HB2 LEU 5 -13.619 -9.458 16.906 39 HB3 LEU 5 HB1 LEU 5 -14.155 -7.798 17.145 40 HG LEU 5 HG LEU 5 -16.502 -8.525 16.716 41 HD11 LEU 5 HD11 LEU 5 -15.107 -11.165 16.328 42 HD12 LEU 5 HD12 LEU 5 -16.441 -10.461 15.415 43 HD13 LEU 5 HD13 LEU 5 -16.735 -11.153 17.006 44 HD21 LEU 5 HD21 LEU 5 -16.664 -9.925 18.858 45 HD22 LEU 5 HD22 LEU 5 -15.858 -8.363 19.004 46 HD23 LEU 5 HD23 LEU 5 -14.903 -9.843 18.919 47 H GLN 6 HN GLN 6 -14.105 -5.976 15.471 48 HA GLN 6 HA GLN 6 -16.850 -5.221 15.106 49 HB2 GLN 6 HB2 GLN 6 -14.295 -3.597 14.977 50 HB3 GLN 6 HB1 GLN 6 -15.913 -2.894 14.952 51 HG2 GLN 6 HG2 GLN 6 -16.409 -3.934 17.129 52 HG3 GLN 6 HG1 GLN 6 -14.797 -4.653 17.158 53 HE21 GLN 6 HE21 GLN 6 -13.619 -3.474 18.687 54 HE22 GLN 6 HE22 GLN 6 -13.551 -1.780 18.756 55 H LEU 7 HN LEU 7 -14.094 -5.419 12.908 56 HA LEU 7 HA LEU 7 -15.234 -3.994 10.723 57 HB2 LEU 7 HB2 LEU 7 -12.854 -4.628 10.810 58 HB3 LEU 7 HB1 LEU 7 -13.296 -6.330 10.701 59 HG LEU 7 HG LEU 7 -14.272 -5.960 8.477 60 HD11 LEU 7 HD11 LEU 7 -15.102 -3.772 8.419 61 HD12 LEU 7 HD12 LEU 7 -13.642 -3.615 7.448 62 HD13 LEU 7 HD13 LEU 7 -13.641 -3.087 9.132 63 HD21 LEU 7 HD21 LEU 7 -11.458 -4.949 8.924 64 HD22 LEU 7 HD22 LEU 7 -12.115 -5.247 7.314 65 HD23 LEU 7 HD23 LEU 7 -11.964 -6.574 8.465 66 H LYS 8 HN LYS 8 -15.385 -7.437 11.606 67 HA LYS 8 HA LYS 8 -16.871 -8.296 9.317 68 HB2 LYS 8 HB2 LYS 8 -16.880 -9.395 12.149 69 HB3 LYS 8 HB1 LYS 8 -17.477 -10.246 10.727 70 HG2 LYS 8 HG2 LYS 8 -14.644 -9.211 10.852 71 HG3 LYS 8 HG1 LYS 8 -15.069 -10.781 11.529 72 HD2 LYS 8 HD2 LYS 8 -16.037 -11.408 9.291 73 HD3 LYS 8 HD1 LYS 8 -15.402 -9.895 8.646 74 HE2 LYS 8 HE2 LYS 8 -13.693 -11.976 10.026 75 HE3 LYS 8 HE1 LYS 8 -13.885 -11.865 8.276 76 HZ1 LYS 8 HZ1 LYS 8 -12.340 -10.300 8.246 77 HZ2 LYS 8 HZ2 LYS 8 -12.168 -10.399 9.934 78 HZ3 LYS 8 HZ3 LYS 8 -13.286 -9.316 9.253 79 H HIS 9 HN HIS 9 -17.886 -7.131 12.512 80 HA HIS 9 HA HIS 9 -20.705 -7.454 12.048 81 HB2 HIS 9 HB2 HIS 9 -19.089 -5.770 13.967 82 HB3 HIS 9 HB1 HIS 9 -20.852 -5.716 13.945 83 HD1 HIS 9 HD1 HIS 9 -17.964 -7.908 14.875 84 HD2 HIS 9 HD2 HIS 9 -22.126 -8.141 14.799 85 HE1 HIS 9 HE1 HIS 9 -18.593 -9.973 16.201 86 H TYR 10 HN TYR 10 -18.487 -4.708 11.599 87 HA TYR 10 HA TYR 10 -20.455 -2.769 10.913 88 HB2 TYR 10 HB2 TYR 10 -18.155 -2.137 11.431 89 HB3 TYR 10 HB1 TYR 10 -17.569 -3.011 10.016 90 HD1 TYR 10 HD2 TYR 10 -19.607 -0.126 11.143 91 HD2 TYR 10 HD1 TYR 10 -17.707 -2.064 7.815 92 HE1 TYR 10 HE2 TYR 10 -20.002 1.886 9.749 93 HE2 TYR 10 HE1 TYR 10 -18.101 -0.051 6.419 94 HH TYR 10 HH TYR 10 -20.227 2.184 6.980 95 H ILE 11 HN ILE 11 -18.493 -4.863 8.769 96 HA ILE 11 HA ILE 11 -19.696 -3.939 6.341 97 HB ILE 11 HB ILE 11 -18.321 -6.555 7.020 98 HG12 ILE 11 HG12 ILE 11 -17.336 -4.159 5.446 99 HG13 ILE 11 HG11 ILE 11 -17.026 -4.381 7.169 100 HG21 ILE 11 HG21 ILE 11 -19.297 -5.426 4.385 101 HG22 ILE 11 HG22 ILE 11 -19.657 -7.004 5.084 102 HG23 ILE 11 HG23 ILE 11 -18.038 -6.658 4.477 103 HD11 ILE 11 HD11 ILE 11 -16.292 -6.426 5.060 104 HD12 ILE 11 HD12 ILE 11 -15.829 -6.437 6.762 105 HD13 ILE 11 HD13 ILE 11 -15.170 -5.212 5.677 106 H THR 12 HN THR 12 -20.437 -6.716 8.436 107 HA THR 12 HA THR 12 -22.525 -7.779 6.804 108 HB THR 12 HB THR 12 -23.240 -8.903 8.954 109 HG1 THR 12 HG1 THR 12 -22.286 -8.344 10.776 110 HG21 THR 12 HG21 THR 12 -21.689 -10.133 7.684 111 HG22 THR 12 HG22 THR 12 -20.905 -10.011 9.259 112 HG23 THR 12 HG23 THR 12 -20.401 -8.957 7.941 113 H ASN 13 HN ASN 13 -22.676 -5.576 9.620 114 HA ASN 13 HA ASN 13 -25.530 -5.315 9.570 115 HB2 ASN 13 HB2 ASN 13 -23.360 -3.499 10.648 116 HB3 ASN 13 HB1 ASN 13 -25.081 -3.219 10.904 117 HD21 ASN 13 HD21 ASN 13 -25.655 -6.181 11.106 118 HD22 ASN 13 HD22 ASN 13 -25.070 -6.643 12.629 119 H LEU 14 HN LEU 14 -22.932 -3.400 8.074 120 HA LEU 14 HA LEU 14 -24.603 -1.333 7.047 121 HB2 LEU 14 HB2 LEU 14 -22.165 -1.107 7.130 122 HB3 LEU 14 HB1 LEU 14 -21.986 -2.426 5.975 123 HG LEU 14 HG LEU 14 -23.123 -1.118 4.246 124 HD11 LEU 14 HD11 LEU 14 -23.494 1.406 4.904 125 HD12 LEU 14 HD12 LEU 14 -23.591 0.773 6.547 126 HD13 LEU 14 HD13 LEU 14 -24.724 0.215 5.314 127 HD21 LEU 14 HD21 LEU 14 -21.387 0.449 3.834 128 HD22 LEU 14 HD22 LEU 14 -20.630 -0.821 4.795 129 HD23 LEU 14 HD23 LEU 14 -21.096 0.701 5.555 130 H PHE 15 HN PHE 15 -23.514 -4.388 5.589 131 HA PHE 15 HA PHE 15 -25.303 -3.901 3.260 132 HB2 PHE 15 HB2 PHE 15 -23.111 -5.902 3.839 133 HB3 PHE 15 HB1 PHE 15 -24.181 -6.059 2.443 134 HD1 PHE 15 HD2 PHE 15 -24.244 -4.255 0.710 135 HD2 PHE 15 HD1 PHE 15 -21.365 -4.255 3.899 136 HE1 PHE 15 HE2 PHE 15 -22.866 -2.611 -0.534 137 HE2 PHE 15 HE1 PHE 15 -19.987 -2.610 2.654 138 HZ PHE 15 HZ PHE 15 -20.738 -1.789 0.437 139 H ASN 16 HN ASN 16 -25.531 -5.191 6.294 140 HA ASN 16 HA ASN 16 -27.038 -6.668 7.313 141 HB2 ASN 16 HB2 ASN 16 -28.603 -5.172 5.973 142 HB3 ASN 16 HB1 ASN 16 -28.614 -6.430 4.738 143 HD21 ASN 16 HD21 ASN 16 -30.939 -6.812 5.178 144 HD22 ASN 16 HD22 ASN 16 -31.417 -7.669 6.562 145 H LEU 17 HN LEU 17 -24.861 -7.908 6.040 146 HA LEU 17 HA LEU 17 -25.914 -10.116 4.420 147 HB2 LEU 17 HB2 LEU 17 -23.127 -9.589 5.472 148 HB3 LEU 17 HB1 LEU 17 -23.549 -10.844 4.317 149 HG LEU 17 HG LEU 17 -24.208 -7.940 3.812 150 HD11 LEU 17 HD11 LEU 17 -22.124 -7.875 2.421 151 HD12 LEU 17 HD12 LEU 17 -21.665 -9.432 3.110 152 HD13 LEU 17 HD13 LEU 17 -21.801 -8.014 4.150 153 HD21 LEU 17 HD21 LEU 17 -25.377 -9.376 2.314 154 HD22 LEU 17 HD22 LEU 17 -23.983 -10.431 2.111 155 HD23 LEU 17 HD23 LEU 17 -23.979 -8.821 1.403 156 HA PRO 18 HA PRO 18 -26.729 -13.059 7.654 157 HB2 PRO 18 HB2 PRO 18 -24.891 -14.947 6.228 158 HB3 PRO 18 HB1 PRO 18 -26.565 -15.193 6.757 159 HG2 PRO 18 HG2 PRO 18 -25.898 -14.749 4.179 160 HG3 PRO 18 HG1 PRO 18 -27.441 -14.229 4.876 161 HD2 PRO 18 HD2 PRO 18 -25.113 -12.575 4.064 162 HD3 PRO 18 HD1 PRO 18 -26.818 -12.119 4.273 163 H ARG 19 HN ARG 19 -25.801 -13.203 9.644 164 HA ARG 19 HA ARG 19 -22.885 -12.797 9.925 165 HB2 ARG 19 HB2 ARG 19 -24.668 -11.578 11.324 166 HB3 ARG 19 HB1 ARG 19 -24.921 -13.119 12.141 167 HG2 ARG 19 HG2 ARG 19 -23.317 -12.163 13.532 168 HG3 ARG 19 HG1 ARG 19 -22.284 -13.062 12.426 169 HD2 ARG 19 HD2 ARG 19 -22.041 -10.981 11.049 170 HD3 ARG 19 HD1 ARG 19 -22.975 -10.113 12.259 171 HE ARG 19 HE ARG 19 -21.107 -10.209 13.729 172 HH11 ARG 19 HH21 ARG 19 -20.702 -12.145 10.895 173 HH12 ARG 19 HH22 ARG 19 -19.013 -12.415 11.163 174 HH21 ARG 19 HH11 ARG 19 -18.904 -10.559 14.090 175 HH22 ARG 19 HH12 ARG 19 -17.997 -11.521 12.970 176 H ASP 20 HN ASP 20 -25.256 -15.312 10.108 177 HA ASP 20 HA ASP 20 -23.580 -17.110 11.709 178 HB2 ASP 20 HB2 ASP 20 -25.347 -18.792 11.135 179 HB3 ASP 20 HB1 ASP 20 -26.004 -17.330 11.870 180 H GLU 21 HN GLU 21 -23.182 -15.952 8.720 181 HA GLU 21 HA GLU 21 -22.401 -18.548 7.459 182 HB2 GLU 21 HB2 GLU 21 -23.825 -17.017 6.132 183 HB3 GLU 21 HB1 GLU 21 -22.588 -15.766 6.263 184 HG2 GLU 21 HG2 GLU 21 -20.984 -17.190 5.083 185 HG3 GLU 21 HG1 GLU 21 -22.167 -18.496 5.013 186 H LYS 22 HN LYS 22 -20.329 -19.116 7.755 187 HA LYS 22 HA LYS 22 -18.299 -17.133 8.531 188 HB2 LYS 22 HB2 LYS 22 -18.035 -20.108 7.997 189 HB3 LYS 22 HB1 LYS 22 -16.835 -19.085 8.786 190 HG2 LYS 22 HG2 LYS 22 -19.646 -19.560 9.827 191 HG3 LYS 22 HG1 LYS 22 -18.204 -20.389 10.417 192 HD2 LYS 22 HD2 LYS 22 -17.258 -18.006 10.834 193 HD3 LYS 22 HD1 LYS 22 -18.931 -17.468 10.670 194 HE2 LYS 22 HE2 LYS 22 -19.623 -18.998 12.458 195 HE3 LYS 22 HE1 LYS 22 -17.959 -19.559 12.630 196 HZ1 LYS 22 HZ1 LYS 22 -17.839 -17.930 14.142 197 HZ2 LYS 22 HZ2 LYS 22 -19.182 -17.094 13.521 198 HZ3 LYS 22 HZ3 LYS 22 -17.655 -16.908 12.801 199 H TRP 23 HN TRP 23 -16.555 -16.503 7.265 200 HA TRP 23 HA TRP 23 -16.797 -17.106 4.348 201 HB2 TRP 23 HB2 TRP 23 -15.151 -14.929 5.653 202 HB3 TRP 23 HB1 TRP 23 -15.628 -15.049 3.960 203 HD1 TRP 23 HD1 TRP 23 -18.718 -15.983 4.991 204 HE1 TRP 23 HE1 TRP 23 -20.307 -14.061 5.620 205 HE3 TRP 23 HE3 TRP 23 -15.326 -12.238 5.734 206 HZ2 TRP 23 HZ2 TRP 23 -20.166 -11.302 6.340 207 HZ3 TRP 23 HZ3 TRP 23 -16.082 -9.974 6.389 208 HH2 TRP 23 HH2 TRP 23 -18.496 -9.500 6.693 209 H GLU 24 HN GLU 24 -14.469 -16.842 3.276 210 HA GLU 24 HA GLU 24 -12.689 -18.781 4.718 211 HB2 GLU 24 HB2 GLU 24 -13.043 -18.146 1.778 212 HB3 GLU 24 HB1 GLU 24 -11.771 -19.198 2.404 213 HG2 GLU 24 HG2 GLU 24 -13.445 -20.680 3.397 214 HG3 GLU 24 HG1 GLU 24 -14.741 -19.610 2.862 215 H CYS 25 HN CYS 25 -10.947 -17.876 5.604 216 HA CYS 25 HA CYS 25 -10.048 -15.199 4.805 217 HB2 CYS 25 HB2 CYS 25 -8.282 -15.726 6.631 218 HB3 CYS 25 HB1 CYS 25 -9.963 -15.575 7.140 219 HG CYS 25 HG CYS 25 -9.873 -18.373 6.706 220 H GLU 26 HN GLU 26 -8.166 -14.742 3.702 221 HA GLU 26 HA GLU 26 -6.365 -17.004 2.942 222 HB2 GLU 26 HB2 GLU 26 -7.970 -16.587 1.072 223 HB3 GLU 26 HB1 GLU 26 -7.423 -14.912 1.011 224 HG2 GLU 26 HG2 GLU 26 -5.141 -15.648 0.508 225 HG3 GLU 26 HG1 GLU 26 -5.636 -17.334 0.641 226 H SER 27 HN SER 27 -4.302 -16.444 3.372 227 HA SER 27 HA SER 27 -3.685 -13.645 4.082 228 HB2 SER 27 HB2 SER 27 -2.894 -15.664 5.415 229 HB3 SER 27 HB1 SER 27 -1.817 -16.028 4.072 230 HG SER 27 HG SER 27 -1.908 -13.641 5.608 231 H ILE 28 HN ILE 28 -2.841 -12.260 2.619 232 HA ILE 28 HA ILE 28 -1.152 -13.342 0.394 233 HB ILE 28 HB ILE 28 -3.299 -11.216 0.076 234 HG12 ILE 28 HG12 ILE 28 -3.234 -14.084 -0.912 235 HG13 ILE 28 HG11 ILE 28 -4.210 -13.508 0.440 236 HG21 ILE 28 HG21 ILE 28 -2.759 -11.295 -2.265 237 HG22 ILE 28 HG22 ILE 28 -1.709 -12.694 -2.037 238 HG23 ILE 28 HG23 ILE 28 -1.228 -11.122 -1.413 239 HD11 ILE 28 HD11 ILE 28 -5.291 -11.863 -1.113 240 HD12 ILE 28 HD12 ILE 28 -5.608 -13.544 -1.539 241 HD13 ILE 28 HD13 ILE 28 -4.415 -12.615 -2.447 242 H GLU 29 HN GLU 29 0.699 -12.184 0.144 243 HA GLU 29 HA GLU 29 1.040 -9.724 1.801 244 HB2 GLU 29 HB2 GLU 29 3.020 -11.611 0.499 245 HB3 GLU 29 HB1 GLU 29 3.485 -10.132 1.343 246 HG2 GLU 29 HG2 GLU 29 2.418 -10.944 3.396 247 HG3 GLU 29 HG1 GLU 29 1.892 -12.405 2.564 248 H GLU 30 HN GLU 30 1.108 -7.767 0.801 249 HA GLU 30 HA GLU 30 2.016 -7.629 -2.038 250 HB2 GLU 30 HB2 GLU 30 -0.640 -6.606 -1.011 251 HB3 GLU 30 HB1 GLU 30 0.077 -6.082 -2.535 252 HG2 GLU 30 HG2 GLU 30 0.117 -8.407 -3.332 253 HG3 GLU 30 HG1 GLU 30 -0.565 -8.948 -1.802 254 H VAL 31 HN VAL 31 2.614 -5.482 -2.694 255 HA VAL 31 HA VAL 31 3.905 -3.987 -0.576 256 HB VAL 31 HB VAL 31 3.565 -3.431 -3.529 257 HG11 VAL 31 HG11 VAL 31 3.929 -1.314 -2.467 258 HG12 VAL 31 HG12 VAL 31 5.496 -1.828 -3.087 259 HG13 VAL 31 HG13 VAL 31 5.128 -1.998 -1.370 260 HG21 VAL 31 HG21 VAL 31 4.914 -5.431 -2.906 261 HG22 VAL 31 HG22 VAL 31 5.934 -4.403 -1.899 262 HG23 VAL 31 HG23 VAL 31 5.901 -4.171 -3.647 263 H ALA 32 HN ALA 32 3.204 -2.150 0.432 264 HA ALA 32 HA ALA 32 0.455 -1.439 0.423 265 HB1 ALA 32 HB1 ALA 32 1.830 -0.845 2.312 266 HB2 ALA 32 HB2 ALA 32 1.270 0.662 1.588 267 HB3 ALA 32 HB3 ALA 32 2.915 0.100 1.291 268 H ASP 33 HN ASP 33 3.220 0.070 -1.218 269 HA ASP 33 HA ASP 33 1.828 2.267 -2.354 270 HB2 ASP 33 HB2 ASP 33 4.333 1.890 -2.323 271 HB3 ASP 33 HB1 ASP 33 4.109 0.737 -3.639 272 H ASP 34 HN ASP 34 1.273 -0.994 -2.844 273 HA ASP 34 HA ASP 34 0.453 -0.706 -5.692 274 HB2 ASP 34 HB2 ASP 34 1.732 -2.734 -4.793 275 HB3 ASP 34 HB1 ASP 34 0.238 -3.180 -3.970 276 H ILE 35 HN ILE 35 -0.993 -1.908 -2.631 277 HA ILE 35 HA ILE 35 -3.694 -1.429 -3.781 278 HB ILE 35 HB ILE 35 -4.461 -2.562 -1.665 279 HG12 ILE 35 HG12 ILE 35 -1.508 -3.142 -1.292 280 HG13 ILE 35 HG11 ILE 35 -2.379 -1.917 -0.369 281 HG21 ILE 35 HG21 ILE 35 -3.992 -3.757 -3.841 282 HG22 ILE 35 HG22 ILE 35 -3.839 -4.770 -2.406 283 HG23 ILE 35 HG23 ILE 35 -2.394 -4.152 -3.207 284 HD11 ILE 35 HD11 ILE 35 -3.879 -3.578 0.546 285 HD12 ILE 35 HD12 ILE 35 -2.228 -4.146 0.794 286 HD13 ILE 35 HD13 ILE 35 -3.210 -4.829 -0.501 287 H LEU 36 HN LEU 36 -1.401 0.197 -1.915 288 HA LEU 36 HA LEU 36 -3.501 1.955 -0.727 289 HB2 LEU 36 HB2 LEU 36 -1.249 0.636 0.502 290 HB3 LEU 36 HB1 LEU 36 -0.983 2.372 0.589 291 HG LEU 36 HG LEU 36 -2.219 1.577 2.554 292 HD11 LEU 36 HD11 LEU 36 -2.807 3.793 1.065 293 HD12 LEU 36 HD12 LEU 36 -3.561 3.430 2.615 294 HD13 LEU 36 HD13 LEU 36 -4.390 3.020 1.119 295 HD21 LEU 36 HD21 LEU 36 -3.410 -0.241 0.903 296 HD22 LEU 36 HD22 LEU 36 -4.689 0.969 0.986 297 HD23 LEU 36 HD23 LEU 36 -4.079 0.228 2.463 298 HA PRO 37 HA PRO 37 -1.497 4.379 -4.116 299 HB2 PRO 37 HB2 PRO 37 -3.840 6.112 -3.429 300 HB3 PRO 37 HB1 PRO 37 -3.266 5.571 -5.020 301 HG2 PRO 37 HG2 PRO 37 -5.437 4.510 -3.887 302 HG3 PRO 37 HG1 PRO 37 -4.316 3.523 -4.845 303 HD2 PRO 37 HD2 PRO 37 -4.651 3.640 -1.868 304 HD3 PRO 37 HD1 PRO 37 -4.223 2.260 -2.905 305 H ASP 38 HN ASP 38 -0.494 6.491 -4.107 306 HA ASP 38 HA ASP 38 0.768 7.276 -1.732 307 HB2 ASP 38 HB2 ASP 38 1.274 9.406 -2.913 308 HB3 ASP 38 HB1 ASP 38 1.557 7.993 -3.929 309 H GLN 39 HN GLN 39 -2.487 7.614 -2.477 310 HA GLN 39 HA GLN 39 -3.217 10.131 -1.449 311 HB2 GLN 39 HB2 GLN 39 -4.619 7.450 -1.266 312 HB3 GLN 39 HB1 GLN 39 -5.371 8.972 -0.785 313 HG2 GLN 39 HG2 GLN 39 -5.076 9.871 -3.035 314 HG3 GLN 39 HG1 GLN 39 -4.224 8.411 -3.535 315 HE21 GLN 39 HE21 GLN 39 -6.253 8.642 -5.148 316 HE22 GLN 39 HE22 GLN 39 -7.629 7.763 -4.679 317 H TYR 40 HN TYR 40 -2.508 7.105 0.281 318 HA TYR 40 HA TYR 40 -2.554 8.645 2.865 319 HB2 TYR 40 HB2 TYR 40 -3.057 5.702 2.352 320 HB3 TYR 40 HB1 TYR 40 -3.010 6.457 3.945 321 HD1 TYR 40 HD1 TYR 40 -4.768 7.994 4.668 322 HD2 TYR 40 HD2 TYR 40 -4.895 6.124 0.804 323 HE1 TYR 40 HE1 TYR 40 -7.142 8.660 4.424 324 HE2 TYR 40 HE2 TYR 40 -7.272 6.788 0.560 325 HH TYR 40 HH TYR 40 -8.769 8.640 1.527 326 H VAL 41 HN VAL 41 -0.544 7.195 0.613 327 HA VAL 41 HA VAL 41 1.553 6.563 2.668 328 HB VAL 41 HB VAL 41 1.224 5.622 -0.197 329 HG11 VAL 41 HG11 VAL 41 3.573 5.889 0.159 330 HG12 VAL 41 HG12 VAL 41 3.229 4.180 0.422 331 HG13 VAL 41 HG13 VAL 41 3.463 5.255 1.801 332 HG21 VAL 41 HG21 VAL 41 1.096 3.391 0.928 333 HG22 VAL 41 HG22 VAL 41 -0.234 4.463 1.371 334 HG23 VAL 41 HG23 VAL 41 1.110 4.219 2.487 335 H ARG 42 HN ARG 42 2.424 8.618 2.934 336 HA ARG 42 HA ARG 42 3.267 10.150 0.532 337 HB2 ARG 42 HB2 ARG 42 3.206 10.797 3.491 338 HB3 ARG 42 HB1 ARG 42 3.913 11.874 2.286 339 HG2 ARG 42 HG2 ARG 42 1.772 11.969 1.087 340 HG3 ARG 42 HG1 ARG 42 1.054 10.861 2.255 341 HD2 ARG 42 HD2 ARG 42 1.441 12.496 4.057 342 HD3 ARG 42 HD1 ARG 42 2.183 13.603 2.901 343 HE ARG 42 HE ARG 42 -0.383 12.971 1.901 344 HH11 ARG 42 HH21 ARG 42 1.102 14.470 4.632 345 HH12 ARG 42 HH22 ARG 42 -0.220 15.553 4.920 346 HH21 ARG 42 HH11 ARG 42 -2.114 14.377 2.263 347 HH22 ARG 42 HH12 ARG 42 -2.038 15.501 3.580 348 H LEU 43 HN LEU 43 4.897 8.440 0.017 349 HA LEU 43 HA LEU 43 7.030 7.425 0.207 350 HB2 LEU 43 HB2 LEU 43 7.717 10.312 0.837 351 HB3 LEU 43 HB1 LEU 43 8.810 9.100 0.170 352 HG LEU 43 HG LEU 43 6.274 10.085 -1.175 353 HD11 LEU 43 HD11 LEU 43 8.077 11.787 -1.095 354 HD12 LEU 43 HD12 LEU 43 7.791 11.214 -2.738 355 HD13 LEU 43 HD13 LEU 43 9.186 10.629 -1.831 356 HD21 LEU 43 HD21 LEU 43 7.502 8.883 -3.161 357 HD22 LEU 43 HD22 LEU 43 6.609 7.907 -2.003 358 HD23 LEU 43 HD23 LEU 43 8.366 8.026 -1.885 359 H GLY 44 HN GLY 44 5.462 7.613 2.764 360 HA2 GLY 44 HA2 GLY 44 7.529 8.012 4.827 361 HA3 GLY 44 HA1 GLY 44 5.847 7.557 5.110 362 HA PRO 45 HA PRO 45 8.533 3.807 5.873 363 HB2 PRO 45 HB2 PRO 45 6.335 3.364 7.852 364 HB3 PRO 45 HB1 PRO 45 8.092 3.246 8.074 365 HG2 PRO 45 HG2 PRO 45 6.712 5.301 9.064 366 HG3 PRO 45 HG1 PRO 45 8.337 5.525 8.387 367 HD2 PRO 45 HD2 PRO 45 5.676 6.185 7.155 368 HD3 PRO 45 HD1 PRO 45 7.208 7.087 7.078 369 H LEU 46 HN LEU 46 5.144 4.310 5.229 370 HA LEU 46 HA LEU 46 4.619 1.484 4.604 371 HB2 LEU 46 HB2 LEU 46 2.905 3.949 4.169 372 HB3 LEU 46 HB1 LEU 46 2.358 2.275 4.065 373 HG LEU 46 HG LEU 46 3.504 3.593 6.548 374 HD11 LEU 46 HD11 LEU 46 1.114 3.214 7.368 375 HD12 LEU 46 HD12 LEU 46 0.682 2.946 5.680 376 HD13 LEU 46 HD13 LEU 46 1.333 4.505 6.187 377 HD21 LEU 46 HD21 LEU 46 2.391 1.403 7.531 378 HD22 LEU 46 HD22 LEU 46 4.000 1.321 6.826 379 HD23 LEU 46 HD23 LEU 46 2.600 0.792 5.891 380 H SER 47 HN SER 47 6.496 3.506 3.074 381 HA SER 47 HA SER 47 5.541 3.926 0.458 382 HB2 SER 47 HB2 SER 47 7.920 3.938 -0.208 383 HB3 SER 47 HB1 SER 47 7.671 4.831 1.289 384 HG SER 47 HG SER 47 9.304 2.826 0.884 385 H ASN 48 HN ASN 48 8.184 1.809 0.206 386 HA ASN 48 HA ASN 48 6.586 -0.103 -1.360 387 HB2 ASN 48 HB2 ASN 48 8.802 0.700 -2.164 388 HB3 ASN 48 HB1 ASN 48 9.562 -0.053 -0.763 389 HD21 ASN 48 HD21 ASN 48 10.774 -1.496 -2.237 390 HD22 ASN 48 HD22 ASN 48 10.000 -2.817 -2.970 391 H LYS 49 HN LYS 49 6.763 0.190 1.770 392 HA LYS 49 HA LYS 49 7.865 -2.248 2.774 393 HB2 LYS 49 HB2 LYS 49 7.296 -0.269 4.173 394 HB3 LYS 49 HB1 LYS 49 5.584 -0.618 3.925 395 HG2 LYS 49 HG2 LYS 49 5.820 -2.779 5.012 396 HG3 LYS 49 HG1 LYS 49 7.565 -2.559 5.147 397 HD2 LYS 49 HD2 LYS 49 7.195 -0.576 6.582 398 HD3 LYS 49 HD1 LYS 49 5.453 -0.831 6.472 399 HE2 LYS 49 HE2 LYS 49 7.380 -2.914 7.527 400 HE3 LYS 49 HE1 LYS 49 6.513 -1.778 8.561 401 HZ1 LYS 49 HZ1 LYS 49 4.972 -3.391 8.559 402 HZ2 LYS 49 HZ2 LYS 49 5.531 -4.091 7.114 403 HZ3 LYS 49 HZ3 LYS 49 4.525 -2.723 7.066 404 H ILE 50 HN ILE 50 7.043 -4.279 2.901 405 HA ILE 50 HA ILE 50 4.565 -4.868 1.434 406 HB ILE 50 HB ILE 50 6.591 -6.655 2.800 407 HG12 ILE 50 HG12 ILE 50 6.053 -6.199 -0.148 408 HG13 ILE 50 HG11 ILE 50 7.298 -5.335 0.754 409 HG21 ILE 50 HG21 ILE 50 4.125 -7.266 1.155 410 HG22 ILE 50 HG22 ILE 50 4.516 -7.848 2.773 411 HG23 ILE 50 HG23 ILE 50 5.428 -8.432 1.381 412 HD11 ILE 50 HD11 ILE 50 7.132 -8.355 0.608 413 HD12 ILE 50 HD12 ILE 50 8.450 -7.390 1.271 414 HD13 ILE 50 HD13 ILE 50 8.136 -7.379 -0.464 415 H LEU 51 HN LEU 51 2.628 -5.093 2.398 416 HA LEU 51 HA LEU 51 2.539 -5.484 5.372 417 HB2 LEU 51 HB2 LEU 51 0.459 -4.243 3.548 418 HB3 LEU 51 HB1 LEU 51 0.369 -4.355 5.306 419 HG LEU 51 HG LEU 51 2.482 -2.842 3.739 420 HD11 LEU 51 HD11 LEU 51 1.388 -0.839 4.604 421 HD12 LEU 51 HD12 LEU 51 0.221 -1.823 5.485 422 HD13 LEU 51 HD13 LEU 51 0.212 -1.811 3.721 423 HD21 LEU 51 HD21 LEU 51 3.584 -3.448 5.712 424 HD22 LEU 51 HD22 LEU 51 2.102 -3.450 6.667 425 HD23 LEU 51 HD23 LEU 51 2.845 -1.923 6.192 426 H GLN 52 HN GLN 52 1.128 -6.998 6.219 427 HA GLN 52 HA GLN 52 0.515 -9.263 4.489 428 HB2 GLN 52 HB2 GLN 52 -0.351 -8.801 7.358 429 HB3 GLN 52 HB1 GLN 52 -0.204 -10.350 6.523 430 HG2 GLN 52 HG2 GLN 52 2.070 -8.450 7.173 431 HG3 GLN 52 HG1 GLN 52 1.747 -9.992 7.967 432 HE21 GLN 52 HE21 GLN 52 1.935 -11.980 6.577 433 HE22 GLN 52 HE22 GLN 52 2.966 -11.950 5.228 434 H THR 53 HN THR 53 -1.299 -9.322 3.260 435 HA THR 53 HA THR 53 -3.691 -7.737 4.134 436 HB THR 53 HB THR 53 -4.233 -7.440 1.876 437 HG1 THR 53 HG1 THR 53 -4.217 -9.393 0.996 438 HG21 THR 53 HG21 THR 53 -1.952 -6.456 2.586 439 HG22 THR 53 HG22 THR 53 -2.300 -6.539 0.861 440 HG23 THR 53 HG23 THR 53 -1.246 -7.739 1.606 441 H ASN 54 HN ASN 54 -5.346 -8.906 4.898 442 HA ASN 54 HA ASN 54 -5.565 -11.799 4.133 443 HB2 ASN 54 HB2 ASN 54 -5.232 -11.334 6.559 444 HB3 ASN 54 HB1 ASN 54 -6.713 -10.376 6.553 445 HD21 ASN 54 HD21 ASN 54 -7.696 -11.945 8.073 446 HD22 ASN 54 HD22 ASN 54 -8.244 -13.450 7.511 447 H THR 55 HN THR 55 -6.938 -11.818 2.407 448 HA THR 55 HA THR 55 -9.343 -10.067 2.435 449 HB THR 55 HB THR 55 -8.278 -11.875 0.251 450 HG1 THR 55 HG1 THR 55 -7.195 -10.172 -0.441 451 HG21 THR 55 HG21 THR 55 -9.753 -10.372 -1.161 452 HG22 THR 55 HG22 THR 55 -10.439 -9.760 0.343 453 HG23 THR 55 HG23 THR 55 -10.619 -11.463 -0.080 454 H TYR 56 HN TYR 56 -11.408 -10.880 2.518 455 HA TYR 56 HA TYR 56 -11.684 -13.800 3.143 456 HB2 TYR 56 HB2 TYR 56 -13.481 -11.434 3.754 457 HB3 TYR 56 HB1 TYR 56 -13.869 -13.112 4.138 458 HD1 TYR 56 HD2 TYR 56 -11.528 -10.321 4.836 459 HD2 TYR 56 HD1 TYR 56 -12.832 -14.253 5.972 460 HE1 TYR 56 HE2 TYR 56 -10.206 -10.156 6.928 461 HE2 TYR 56 HE1 TYR 56 -11.512 -14.087 8.064 462 HH TYR 56 HH TYR 56 -9.648 -12.881 8.966 463 H TYR 57 HN TYR 57 -12.971 -15.066 1.824 464 HA TYR 57 HA TYR 57 -14.490 -13.684 -0.371 465 HB2 TYR 57 HB2 TYR 57 -12.744 -16.153 -0.514 466 HB3 TYR 57 HB1 TYR 57 -13.882 -15.696 -1.782 467 HD1 TYR 57 HD1 TYR 57 -13.666 -13.395 -2.849 468 HD2 TYR 57 HD2 TYR 57 -10.610 -15.110 -0.364 469 HE1 TYR 57 HE1 TYR 57 -12.013 -11.797 -3.778 470 HE2 TYR 57 HE2 TYR 57 -8.958 -13.511 -1.293 471 HH TYR 57 HH TYR 57 -9.620 -11.587 -4.056 472 H SER 58 HN SER 58 -16.570 -14.158 -0.358 473 HA SER 58 HA SER 58 -17.493 -16.843 0.543 474 HB2 SER 58 HB2 SER 58 -18.099 -14.231 1.793 475 HB3 SER 58 HB1 SER 58 -19.501 -15.259 1.519 476 HG SER 58 HG SER 58 -17.274 -15.616 3.153 477 H ASP 59 HN ASP 59 -19.767 -17.234 -0.198 478 HA ASP 59 HA ASP 59 -20.070 -16.611 -2.971 479 HB2 ASP 59 HB2 ASP 59 -21.056 -18.612 -1.899 480 HB3 ASP 59 HB1 ASP 59 -22.150 -17.575 -0.985 481 H THR 60 HN THR 60 -21.567 -15.251 -0.051 482 HA THR 60 HA THR 60 -23.420 -13.529 -1.376 483 HB THR 60 HB THR 60 -23.327 -12.233 0.798 484 HG1 THR 60 HG1 THR 60 -21.491 -14.283 1.470 485 HG21 THR 60 HG21 THR 60 -24.890 -14.081 0.543 486 HG22 THR 60 HG22 THR 60 -24.198 -14.130 2.165 487 HG23 THR 60 HG23 THR 60 -23.620 -15.243 0.925 488 H LEU 61 HN LEU 61 -20.042 -13.064 -0.405 489 HA LEU 61 HA LEU 61 -19.879 -10.278 -1.031 490 HB2 LEU 61 HB2 LEU 61 -17.890 -12.515 -0.753 491 HB3 LEU 61 HB1 LEU 61 -17.348 -10.968 -1.397 492 HG LEU 61 HG LEU 61 -18.069 -9.806 0.592 493 HD11 LEU 61 HD11 LEU 61 -18.972 -11.324 2.524 494 HD12 LEU 61 HD12 LEU 61 -19.400 -12.435 1.227 495 HD13 LEU 61 HD13 LEU 61 -20.084 -10.815 1.255 496 HD21 LEU 61 HD21 LEU 61 -16.738 -12.368 1.506 497 HD22 LEU 61 HD22 LEU 61 -16.562 -10.760 2.203 498 HD23 LEU 61 HD23 LEU 61 -15.890 -11.110 0.610 499 H HIS 62 HN HIS 62 -19.322 -13.181 -3.014 500 HA HIS 62 HA HIS 62 -18.369 -11.871 -5.344 501 HB2 HIS 62 HB2 HIS 62 -20.003 -14.398 -4.990 502 HB3 HIS 62 HB1 HIS 62 -19.348 -13.886 -6.544 503 HD1 HIS 62 HD1 HIS 62 -18.379 -15.382 -3.277 504 HD2 HIS 62 HD2 HIS 62 -16.458 -13.930 -6.679 505 HE1 HIS 62 HE1 HIS 62 -15.978 -16.177 -3.138 506 H LYS 63 HN LYS 63 -21.685 -12.677 -4.339 507 HA LYS 63 HA LYS 63 -22.986 -11.552 -6.632 508 HB2 LYS 63 HB2 LYS 63 -23.946 -12.015 -3.794 509 HB3 LYS 63 HB1 LYS 63 -25.001 -11.505 -5.113 510 HG2 LYS 63 HG2 LYS 63 -24.409 -13.524 -6.386 511 HG3 LYS 63 HG1 LYS 63 -23.326 -14.034 -5.089 512 HD2 LYS 63 HD2 LYS 63 -25.231 -14.129 -3.529 513 HD3 LYS 63 HD1 LYS 63 -26.317 -13.611 -4.818 514 HE2 LYS 63 HE2 LYS 63 -25.741 -15.625 -6.119 515 HE3 LYS 63 HE1 LYS 63 -24.649 -16.144 -4.836 516 HZ1 LYS 63 HZ1 LYS 63 -26.588 -16.099 -3.316 517 HZ2 LYS 63 HZ2 LYS 63 -26.718 -17.257 -4.552 518 HZ3 LYS 63 HZ3 LYS 63 -27.590 -15.803 -4.652 519 H SER 64 HN SER 64 -22.120 -10.210 -3.464 520 HA SER 64 HA SER 64 -23.249 -7.583 -4.130 521 HB2 SER 64 HB2 SER 64 -21.531 -8.481 -1.799 522 HB3 SER 64 HB1 SER 64 -22.340 -6.921 -1.928 523 HG SER 64 HG SER 64 -24.018 -7.901 -1.150 524 H ASN 65 HN ASN 65 -20.395 -9.216 -4.844 525 HA ASN 65 HA ASN 65 -18.346 -8.528 -5.740 526 HB2 ASN 65 HB2 ASN 65 -19.947 -7.244 -7.235 527 HB3 ASN 65 HB1 ASN 65 -19.698 -5.852 -6.180 528 HD21 ASN 65 HD21 ASN 65 -18.178 -7.881 -8.631 529 HD22 ASN 65 HD22 ASN 65 -16.776 -6.939 -8.802 530 H ILE 66 HN ILE 66 -18.664 -8.289 -2.915 531 HA ILE 66 HA ILE 66 -17.093 -5.808 -2.301 532 HB ILE 66 HB ILE 66 -18.746 -7.554 -0.449 533 HG12 ILE 66 HG12 ILE 66 -19.232 -4.705 -1.370 534 HG13 ILE 66 HG11 ILE 66 -20.002 -6.110 -2.101 535 HG21 ILE 66 HG21 ILE 66 -16.976 -5.144 -0.021 536 HG22 ILE 66 HG22 ILE 66 -17.035 -6.649 0.895 537 HG23 ILE 66 HG23 ILE 66 -18.326 -5.467 1.065 538 HD11 ILE 66 HD11 ILE 66 -21.538 -5.258 -0.465 539 HD12 ILE 66 HD12 ILE 66 -20.268 -5.148 0.753 540 HD13 ILE 66 HD13 ILE 66 -20.839 -6.727 0.213 541 H TYR 67 HN TYR 67 -15.008 -6.108 -1.690 542 HA TYR 67 HA TYR 67 -14.120 -8.876 -0.917 543 HB2 TYR 67 HB2 TYR 67 -12.491 -6.809 -2.406 544 HB3 TYR 67 HB1 TYR 67 -12.077 -8.500 -2.118 545 HD1 TYR 67 HD1 TYR 67 -13.745 -10.287 -3.012 546 HD2 TYR 67 HD2 TYR 67 -13.646 -6.213 -4.373 547 HE1 TYR 67 HE1 TYR 67 -14.956 -10.945 -5.074 548 HE2 TYR 67 HE2 TYR 67 -14.856 -6.872 -6.434 549 HH TYR 67 HH TYR 67 -16.478 -9.745 -6.771 550 HA PRO 68 HA PRO 68 -13.122 -6.037 2.619 551 HB2 PRO 68 HB2 PRO 68 -13.305 -8.582 4.133 552 HB3 PRO 68 HB1 PRO 68 -14.123 -7.038 4.433 553 HG2 PRO 68 HG2 PRO 68 -15.429 -9.185 3.492 554 HG3 PRO 68 HG1 PRO 68 -15.865 -7.536 3.009 555 HD2 PRO 68 HD2 PRO 68 -14.316 -9.600 1.471 556 HD3 PRO 68 HD1 PRO 68 -15.508 -8.417 0.886 557 H PHE 69 HN PHE 69 -11.097 -5.777 3.629 558 HA PHE 69 HA PHE 69 -9.165 -8.017 3.538 559 HB2 PHE 69 HB2 PHE 69 -7.458 -6.722 2.378 560 HB3 PHE 69 HB1 PHE 69 -8.894 -6.835 1.364 561 HD1 PHE 69 HD1 PHE 69 -10.368 -4.894 1.039 562 HD2 PHE 69 HD2 PHE 69 -6.782 -4.615 3.388 563 HE1 PHE 69 HE1 PHE 69 -10.489 -2.420 0.929 564 HE2 PHE 69 HE2 PHE 69 -6.906 -2.139 3.281 565 HZ PHE 69 HZ PHE 69 -8.759 -1.042 2.051 566 H ILE 70 HN ILE 70 -7.421 -7.735 4.984 567 HA ILE 70 HA ILE 70 -7.638 -5.388 6.845 568 HB ILE 70 HB ILE 70 -7.129 -8.292 7.558 569 HG12 ILE 70 HG12 ILE 70 -9.390 -6.441 8.375 570 HG13 ILE 70 HG11 ILE 70 -9.512 -7.604 7.058 571 HG21 ILE 70 HG21 ILE 70 -6.972 -5.718 9.130 572 HG22 ILE 70 HG22 ILE 70 -5.788 -7.017 9.031 573 HG23 ILE 70 HG23 ILE 70 -7.281 -7.257 9.930 574 HD11 ILE 70 HD11 ILE 70 -9.069 -8.176 9.995 575 HD12 ILE 70 HD12 ILE 70 -8.821 -9.392 8.740 576 HD13 ILE 70 HD13 ILE 70 -10.421 -8.691 8.986 577 H LEU 71 HN LEU 71 -5.739 -4.370 7.186 578 HA LEU 71 HA LEU 71 -3.241 -5.637 6.116 579 HB2 LEU 71 HB2 LEU 71 -3.800 -2.718 6.719 580 HB3 LEU 71 HB1 LEU 71 -2.391 -3.371 5.880 581 HG LEU 71 HG LEU 71 -5.262 -3.546 4.912 582 HD11 LEU 71 HD11 LEU 71 -2.903 -1.834 4.108 583 HD12 LEU 71 HD12 LEU 71 -4.508 -1.303 4.611 584 HD13 LEU 71 HD13 LEU 71 -4.289 -2.091 3.050 585 HD21 LEU 71 HD21 LEU 71 -4.215 -5.464 4.043 586 HD22 LEU 71 HD22 LEU 71 -2.651 -4.660 3.891 587 HD23 LEU 71 HD23 LEU 71 -3.953 -4.281 2.767 588 H TYR 72 HN TYR 72 -1.747 -6.256 7.575 589 HA TYR 72 HA TYR 72 -1.481 -4.814 10.138 590 HB2 TYR 72 HB2 TYR 72 -1.661 -6.851 11.482 591 HB3 TYR 72 HB1 TYR 72 -3.156 -6.587 10.588 592 HD1 TYR 72 HD1 TYR 72 -3.693 -7.937 8.596 593 HD2 TYR 72 HD2 TYR 72 -0.197 -8.705 10.965 594 HE1 TYR 72 HE1 TYR 72 -3.465 -10.160 7.530 595 HE2 TYR 72 HE2 TYR 72 0.037 -10.932 9.896 596 HH TYR 72 HH TYR 72 -1.048 -12.485 8.633 597 H TYR 73 HN TYR 73 0.495 -5.417 11.273 598 HA TYR 73 HA TYR 73 2.555 -6.570 9.425 599 HB2 TYR 73 HB2 TYR 73 2.744 -4.098 9.990 600 HB3 TYR 73 HB1 TYR 73 3.049 -4.587 11.658 601 HD1 TYR 73 HD1 TYR 73 4.170 -5.478 8.186 602 HD2 TYR 73 HD2 TYR 73 5.286 -4.887 12.294 603 HE1 TYR 73 HE1 TYR 73 6.531 -5.940 7.609 604 HE2 TYR 73 HE2 TYR 73 7.653 -5.342 11.712 605 HH TYR 73 HH TYR 73 9.085 -5.167 9.547 606 H GLN 74 HN GLN 74 4.340 -7.662 10.520 607 HA GLN 74 HA GLN 74 3.449 -9.638 12.352 608 HB2 GLN 74 HB2 GLN 74 5.940 -10.097 12.636 609 HB3 GLN 74 HB1 GLN 74 5.335 -10.144 10.981 610 HG2 GLN 74 HG2 GLN 74 6.109 -7.839 10.617 611 HG3 GLN 74 HG1 GLN 74 6.700 -7.767 12.277 612 HE21 GLN 74 HE21 GLN 74 8.866 -7.370 11.127 613 HE22 GLN 74 HE22 GLN 74 9.754 -8.728 10.627 614 H LYS 75 HN LYS 75 3.494 -6.555 13.121 615 HA LYS 75 HA LYS 75 4.559 -6.971 15.893 616 HB2 LYS 75 HB2 LYS 75 5.782 -5.242 14.558 617 HB3 LYS 75 HB1 LYS 75 4.266 -4.357 14.382 618 HG2 LYS 75 HG2 LYS 75 4.088 -4.130 16.818 619 HG3 LYS 75 HG1 LYS 75 5.567 -5.070 17.027 620 HD2 LYS 75 HD2 LYS 75 6.830 -3.363 15.763 621 HD3 LYS 75 HD1 LYS 75 5.353 -2.416 15.577 622 HE2 LYS 75 HE2 LYS 75 5.162 -2.203 18.018 623 HE3 LYS 75 HE1 LYS 75 6.616 -3.179 18.226 624 HZ1 LYS 75 HZ1 LYS 75 7.801 -1.339 18.021 625 HZ2 LYS 75 HZ2 LYS 75 6.406 -0.417 17.716 626 HZ3 LYS 75 HZ3 LYS 75 7.240 -1.153 16.431 627 H GLN 76 HN GLN 76 2.020 -5.445 13.913 628 HA GLN 76 HA GLN 76 -0.046 -6.108 15.797 629 HB2 GLN 76 HB2 GLN 76 -0.609 -3.806 16.537 630 HB3 GLN 76 HB1 GLN 76 0.962 -4.328 17.141 631 HG2 GLN 76 HG2 GLN 76 2.065 -3.129 15.267 632 HG3 GLN 76 HG1 GLN 76 0.486 -2.568 14.716 633 HE21 GLN 76 HE21 GLN 76 0.576 -0.345 15.219 634 HE22 GLN 76 HE22 GLN 76 0.873 0.261 16.777 635 H LEU 77 HN LEU 77 -2.049 -4.505 15.245 636 HA LEU 77 HA LEU 77 -2.655 -4.972 12.472 637 HB2 LEU 77 HB2 LEU 77 -4.327 -4.822 14.382 638 HB3 LEU 77 HB1 LEU 77 -4.079 -3.078 14.360 639 HG LEU 77 HG LEU 77 -4.613 -3.343 11.768 640 HD11 LEU 77 HD11 LEU 77 -6.333 -5.589 12.818 641 HD12 LEU 77 HD12 LEU 77 -4.731 -5.930 12.176 642 HD13 LEU 77 HD13 LEU 77 -5.943 -5.173 11.150 643 HD21 LEU 77 HD21 LEU 77 -5.957 -2.042 13.372 644 HD22 LEU 77 HD22 LEU 77 -6.743 -3.522 13.917 645 HD23 LEU 77 HD23 LEU 77 -7.000 -2.944 12.274 646 H ILE 78 HN ILE 78 -2.572 -3.590 10.735 647 HA ILE 78 HA ILE 78 -1.199 -0.973 11.148 648 HB ILE 78 HB ILE 78 -1.512 -2.757 8.717 649 HG12 ILE 78 HG12 ILE 78 0.204 -3.232 10.646 650 HG13 ILE 78 HG11 ILE 78 0.752 -3.304 8.976 651 HG21 ILE 78 HG21 ILE 78 -0.409 0.037 8.991 652 HG22 ILE 78 HG22 ILE 78 -1.578 -0.573 7.820 653 HG23 ILE 78 HG23 ILE 78 0.118 -1.040 7.698 654 HD11 ILE 78 HD11 ILE 78 1.934 -1.299 9.134 655 HD12 ILE 78 HD12 ILE 78 2.152 -1.958 10.755 656 HD13 ILE 78 HD13 ILE 78 0.957 -0.699 10.470 657 H ALA 79 HN ALA 79 -3.829 -2.408 9.161 658 HA ALA 79 HA ALA 79 -5.525 -0.094 9.658 659 HB1 ALA 79 HB1 ALA 79 -3.783 0.619 7.882 660 HB2 ALA 79 HB2 ALA 79 -5.484 0.928 7.534 661 HB3 ALA 79 HB3 ALA 79 -4.662 -0.444 6.789 662 H ILE 80 HN ILE 80 -7.635 -0.338 8.658 663 HA ILE 80 HA ILE 80 -8.196 -3.064 7.540 664 HB ILE 80 HB ILE 80 -10.401 -2.872 8.843 665 HG12 ILE 80 HG12 ILE 80 -8.771 -0.934 10.506 666 HG13 ILE 80 HG11 ILE 80 -10.005 -0.412 9.360 667 HG21 ILE 80 HG21 ILE 80 -7.695 -3.329 10.091 668 HG22 ILE 80 HG22 ILE 80 -8.904 -4.514 9.604 669 HG23 ILE 80 HG23 ILE 80 -9.168 -3.532 11.041 670 HD11 ILE 80 HD11 ILE 80 -10.663 -0.774 11.879 671 HD12 ILE 80 HD12 ILE 80 -10.686 -2.480 11.441 672 HD13 ILE 80 HD13 ILE 80 -11.750 -1.344 10.613 673 H GLY 81 HN GLY 81 -9.880 -3.120 6.005 674 HA2 GLY 81 HA2 GLY 81 -11.598 -0.898 5.424 675 HA3 GLY 81 HA1 GLY 81 -10.198 -0.851 4.351 676 H PHE 82 HN PHE 82 -12.468 -1.192 3.036 677 HA PHE 82 HA PHE 82 -12.263 -3.962 2.056 678 HB2 PHE 82 HB2 PHE 82 -14.672 -4.408 2.225 679 HB3 PHE 82 HB1 PHE 82 -13.993 -4.121 3.828 680 HD1 PHE 82 HD2 PHE 82 -14.388 -1.944 4.977 681 HD2 PHE 82 HD1 PHE 82 -16.250 -2.908 1.229 682 HE1 PHE 82 HE2 PHE 82 -16.026 -0.115 5.319 683 HE2 PHE 82 HE1 PHE 82 -17.889 -1.080 1.572 684 HZ PHE 82 HZ PHE 82 -17.777 0.317 3.618 685 H ILE 83 HN ILE 83 -13.329 -4.223 -0.039 686 HA ILE 83 HA ILE 83 -13.559 -1.603 -1.483 687 HB ILE 83 HB ILE 83 -13.012 -4.395 -2.534 688 HG12 ILE 83 HG12 ILE 83 -11.189 -1.979 -2.351 689 HG13 ILE 83 HG11 ILE 83 -11.189 -3.293 -1.174 690 HG21 ILE 83 HG21 ILE 83 -13.175 -1.685 -3.879 691 HG22 ILE 83 HG22 ILE 83 -14.169 -3.102 -4.212 692 HG23 ILE 83 HG23 ILE 83 -12.457 -3.107 -4.637 693 HD11 ILE 83 HD11 ILE 83 -10.678 -3.609 -4.145 694 HD12 ILE 83 HD12 ILE 83 -10.646 -4.904 -2.948 695 HD13 ILE 83 HD13 ILE 83 -9.437 -3.619 -2.891 696 H ASP 84 HN ASP 84 -15.537 -1.010 -2.196 697 HA ASP 84 HA ASP 84 -17.782 -2.931 -1.947 698 HB2 ASP 84 HB2 ASP 84 -19.210 -0.959 -2.267 699 HB3 ASP 84 HB1 ASP 84 -18.021 -0.661 -0.999 700 H GLU 85 HN GLU 85 -19.544 -2.397 -3.785 701 HA GLU 85 HA GLU 85 -18.495 -3.510 -6.212 702 HB2 GLU 85 HB2 GLU 85 -20.760 -3.119 -7.110 703 HB3 GLU 85 HB1 GLU 85 -20.837 -3.822 -5.495 704 HG2 GLU 85 HG2 GLU 85 -21.162 -1.557 -4.537 705 HG3 GLU 85 HG1 GLU 85 -21.140 -0.877 -6.164 706 H ASN 86 HN ASN 86 -18.821 -0.253 -5.067 707 HA ASN 86 HA ASN 86 -18.512 0.900 -7.777 708 HB2 ASN 86 HB2 ASN 86 -18.734 2.157 -5.025 709 HB3 ASN 86 HB1 ASN 86 -18.525 3.082 -6.514 710 HD21 ASN 86 HD21 ASN 86 -20.915 2.937 -4.635 711 HD22 ASN 86 HD22 ASN 86 -22.217 2.494 -5.629 712 H HIS 87 HN HIS 87 -16.483 -0.677 -5.895 713 HA HIS 87 HA HIS 87 -14.159 -0.798 -5.820 714 HB2 HIS 87 HB2 HIS 87 -14.459 0.221 -8.207 715 HB3 HIS 87 HB1 HIS 87 -13.962 1.736 -7.455 716 HD1 HIS 87 HD1 HIS 87 -12.714 -1.864 -7.689 717 HD2 HIS 87 HD2 HIS 87 -11.220 2.006 -7.285 718 HE1 HIS 87 HE1 HIS 87 -10.190 -2.061 -7.756 719 H ASP 88 HN ASP 88 -12.561 1.752 -5.990 720 HA ASP 88 HA ASP 88 -11.632 3.283 -4.499 721 HB2 ASP 88 HB2 ASP 88 -13.797 4.425 -4.841 722 HB3 ASP 88 HB1 ASP 88 -14.485 3.509 -3.501 723 H MET 89 HN MET 89 -10.483 3.016 -2.662 724 HA MET 89 HA MET 89 -11.030 0.681 -0.989 725 HB2 MET 89 HB2 MET 89 -8.899 2.835 -0.828 726 HB3 MET 89 HB1 MET 89 -8.933 1.379 0.167 727 HG2 MET 89 HG2 MET 89 -8.871 1.369 -2.862 728 HG3 MET 89 HG1 MET 89 -7.447 1.167 -1.843 729 HE1 MET 89 HE1 MET 89 -6.570 -1.185 -1.325 730 HE2 MET 89 HE2 MET 89 -7.608 -2.160 -0.286 731 HE3 MET 89 HE3 MET 89 -7.354 -0.456 0.083 732 H ASP 90 HN ASP 90 -12.173 0.716 0.866 733 HA ASP 90 HA ASP 90 -12.934 3.348 2.050 734 HB2 ASP 90 HB2 ASP 90 -14.679 1.598 1.406 735 HB3 ASP 90 HB1 ASP 90 -14.053 0.619 2.732 736 H PHE 91 HN PHE 91 -11.519 3.970 3.609 737 HA PHE 91 HA PHE 91 -10.250 1.902 5.350 738 HB2 PHE 91 HB2 PHE 91 -9.617 4.850 5.021 739 HB3 PHE 91 HB1 PHE 91 -8.688 3.690 5.973 740 HD1 PHE 91 HD1 PHE 91 -7.814 1.581 4.739 741 HD2 PHE 91 HD2 PHE 91 -9.128 5.145 2.733 742 HE1 PHE 91 HE1 PHE 91 -6.562 0.901 2.709 743 HE2 PHE 91 HE2 PHE 91 -7.876 4.465 0.703 744 HZ PHE 91 HZ PHE 91 -6.594 2.341 0.691 745 H LEU 92 HN LEU 92 -11.046 1.613 7.356 746 HA LEU 92 HA LEU 92 -12.888 3.674 8.495 747 HB2 LEU 92 HB2 LEU 92 -12.392 0.802 9.346 748 HB3 LEU 92 HB1 LEU 92 -13.645 1.874 9.972 749 HG LEU 92 HG LEU 92 -13.397 0.979 7.085 750 HD11 LEU 92 HD11 LEU 92 -14.068 -0.825 8.661 751 HD12 LEU 92 HD12 LEU 92 -15.371 -0.388 7.555 752 HD13 LEU 92 HD13 LEU 92 -15.398 0.187 9.222 753 HD21 LEU 92 HD21 LEU 92 -14.502 3.047 6.973 754 HD22 LEU 92 HD22 LEU 92 -15.261 2.844 8.553 755 HD23 LEU 92 HD23 LEU 92 -15.855 1.936 7.164 756 H TYR 93 HN TYR 93 -9.808 2.129 8.941 757 HA TYR 93 HA TYR 93 -9.125 4.044 11.048 758 HB2 TYR 93 HB2 TYR 93 -10.150 2.341 12.432 759 HB3 TYR 93 HB1 TYR 93 -9.255 1.069 11.607 760 HD1 TYR 93 HD1 TYR 93 -8.683 4.247 13.519 761 HD2 TYR 93 HD2 TYR 93 -7.225 0.330 12.523 762 HE1 TYR 93 HE1 TYR 93 -6.809 4.536 15.116 763 HE2 TYR 93 HE2 TYR 93 -5.352 0.620 14.120 764 HH TYR 93 HH TYR 93 -4.192 3.185 15.142 765 H LEU 94 HN LEU 94 -7.153 4.710 10.407 766 HA LEU 94 HA LEU 94 -5.322 2.753 9.062 767 HB2 LEU 94 HB2 LEU 94 -5.905 4.618 7.606 768 HB3 LEU 94 HB1 LEU 94 -5.476 5.775 8.864 769 HG LEU 94 HG LEU 94 -3.134 5.102 8.760 770 HD11 LEU 94 HD11 LEU 94 -2.561 3.462 6.789 771 HD12 LEU 94 HD12 LEU 94 -4.233 2.930 6.978 772 HD13 LEU 94 HD13 LEU 94 -3.104 2.800 8.328 773 HD21 LEU 94 HD21 LEU 94 -2.601 5.944 6.578 774 HD22 LEU 94 HD22 LEU 94 -4.097 6.735 7.073 775 HD23 LEU 94 HD23 LEU 94 -4.144 5.400 5.923 776 H HIS 95 HN HIS 95 -3.534 2.210 10.147 777 HA HIS 95 HA HIS 95 -2.459 4.062 12.230 778 HB2 HIS 95 HB2 HIS 95 -3.705 2.253 13.354 779 HB3 HIS 95 HB1 HIS 95 -2.732 1.057 12.499 780 HD1 HIS 95 HD1 HIS 95 -0.283 3.413 12.962 781 HD2 HIS 95 HD2 HIS 95 -2.319 1.031 15.710 782 HE1 HIS 95 HE1 HIS 95 1.189 3.280 15.017 783 H ASN 96 HN ASN 96 -0.522 4.666 11.465 784 HA ASN 96 HA ASN 96 1.034 2.814 9.751 785 HB2 ASN 96 HB2 ASN 96 1.626 5.675 10.574 786 HB3 ASN 96 HB1 ASN 96 2.453 4.753 9.317 787 HD21 ASN 96 HD21 ASN 96 1.236 7.139 8.534 788 HD22 ASN 96 HD22 ASN 96 -0.160 6.808 7.625 789 H THR 97 HN THR 97 3.113 2.099 10.312 790 HA THR 97 HA THR 97 3.627 1.320 12.941 791 HB THR 97 HB THR 97 6.056 1.167 12.175 792 HG1 THR 97 HG1 THR 97 6.459 2.483 10.593 793 HG21 THR 97 HG21 THR 97 4.639 -0.741 11.878 794 HG22 THR 97 HG22 THR 97 5.467 -0.496 10.340 795 HG23 THR 97 HG23 THR 97 3.791 0.020 10.533 796 H VAL 98 HN VAL 98 3.855 4.461 11.628 797 HA VAL 98 HA VAL 98 5.640 5.397 13.836 798 HB VAL 98 HB VAL 98 6.356 6.147 11.648 799 HG11 VAL 98 HG11 VAL 98 4.964 7.279 10.090 800 HG12 VAL 98 HG12 VAL 98 3.691 7.517 11.277 801 HG13 VAL 98 HG13 VAL 98 4.003 5.914 10.636 802 HG21 VAL 98 HG21 VAL 98 4.919 8.477 12.940 803 HG22 VAL 98 HG22 VAL 98 6.439 8.506 12.046 804 HG23 VAL 98 HG23 VAL 98 6.366 7.746 13.635 805 H MET 99 HN MET 99 2.547 6.309 12.249 806 HA MET 99 HA MET 99 1.247 6.706 14.777 807 HB2 MET 99 HB2 MET 99 1.106 9.088 14.898 808 HB3 MET 99 HB1 MET 99 2.806 8.715 14.659 809 HG2 MET 99 HG2 MET 99 2.605 10.321 13.013 810 HG3 MET 99 HG1 MET 99 2.049 8.947 12.063 811 HE1 MET 99 HE1 MET 99 -0.038 12.380 11.454 812 HE2 MET 99 HE2 MET 99 1.148 11.308 10.713 813 HE3 MET 99 HE3 MET 99 1.589 12.248 12.137 814 HA PRO 100 HA PRO 100 -2.137 6.310 11.902 815 HB2 PRO 100 HB2 PRO 100 -4.231 7.114 13.472 816 HB3 PRO 100 HB1 PRO 100 -3.400 5.566 13.703 817 HG2 PRO 100 HG2 PRO 100 -3.029 8.138 15.178 818 HG3 PRO 100 HG1 PRO 100 -3.135 6.482 15.811 819 HD2 PRO 100 HD2 PRO 100 -0.748 7.753 15.483 820 HD3 PRO 100 HD1 PRO 100 -0.922 5.993 15.283 821 H LEU 101 HN LEU 101 -3.289 7.555 10.426 822 HA LEU 101 HA LEU 101 -2.859 10.497 10.574 823 HB2 LEU 101 HB2 LEU 101 -3.986 8.844 8.293 824 HB3 LEU 101 HB1 LEU 101 -3.409 10.508 8.214 825 HG LEU 101 HG LEU 101 -1.703 8.092 8.886 826 HD11 LEU 101 HD11 LEU 101 -2.549 8.397 6.470 827 HD12 LEU 101 HD12 LEU 101 -0.806 8.255 6.696 828 HD13 LEU 101 HD13 LEU 101 -1.534 9.839 6.426 829 HD21 LEU 101 HD21 LEU 101 0.128 9.903 8.427 830 HD22 LEU 101 HD22 LEU 101 -0.687 9.914 9.989 831 HD23 LEU 101 HD23 LEU 101 -1.165 11.062 8.737 832 H LEU 102 HN LEU 102 -5.507 8.215 9.802 833 HA LEU 102 HA LEU 102 -7.455 10.236 10.876 834 HB2 LEU 102 HB2 LEU 102 -7.880 8.254 8.621 835 HB3 LEU 102 HB1 LEU 102 -9.064 9.417 9.218 836 HG LEU 102 HG LEU 102 -6.379 10.134 8.002 837 HD11 LEU 102 HD11 LEU 102 -7.564 10.756 6.031 838 HD12 LEU 102 HD12 LEU 102 -9.127 10.608 6.835 839 HD13 LEU 102 HD13 LEU 102 -8.187 9.163 6.462 840 HD21 LEU 102 HD21 LEU 102 -7.674 12.439 7.934 841 HD22 LEU 102 HD22 LEU 102 -6.883 11.930 9.420 842 HD23 LEU 102 HD23 LEU 102 -8.626 11.724 9.236 843 H ASP 103 HN ASP 103 -8.843 9.503 12.391 844 HA ASP 103 HA ASP 103 -9.314 6.596 12.719 845 HB2 ASP 103 HB2 ASP 103 -7.324 7.084 14.115 846 HB3 ASP 103 HB1 ASP 103 -8.230 8.346 14.950 847 H GLN 104 HN GLN 104 -11.487 7.097 12.154 848 HA GLN 104 HA GLN 104 -12.983 8.824 14.102 849 HB2 GLN 104 HB2 GLN 104 -13.620 8.024 11.249 850 HB3 GLN 104 HB1 GLN 104 -14.733 8.900 12.299 851 HG2 GLN 104 HG2 GLN 104 -11.946 9.858 11.586 852 HG3 GLN 104 HG1 GLN 104 -13.421 10.410 10.796 853 HE21 GLN 104 HE21 GLN 104 -11.279 11.331 13.148 854 HE22 GLN 104 HE22 GLN 104 -12.313 12.242 14.139 855 H ARG 105 HN ARG 105 -13.993 7.653 15.598 856 HA ARG 105 HA ARG 105 -14.492 4.832 15.396 857 HB2 ARG 105 HB2 ARG 105 -15.597 6.942 17.272 858 HB3 ARG 105 HB1 ARG 105 -15.884 5.212 17.463 859 HG2 ARG 105 HG2 ARG 105 -13.479 4.800 17.648 860 HG3 ARG 105 HG1 ARG 105 -13.145 6.510 17.372 861 HD2 ARG 105 HD2 ARG 105 -13.059 6.041 19.772 862 HD3 ARG 105 HD1 ARG 105 -14.448 7.066 19.418 863 HE ARG 105 HE ARG 105 -15.895 5.248 19.944 864 HH11 ARG 105 HH21 ARG 105 -12.562 4.336 19.824 865 HH12 ARG 105 HH22 ARG 105 -12.828 2.789 20.554 866 HH21 ARG 105 HH11 ARG 105 -16.247 3.231 20.894 867 HH22 ARG 105 HH12 ARG 105 -14.909 2.164 21.157 868 H TYR 106 HN TYR 106 -16.466 7.692 14.779 869 HA TYR 106 HA TYR 106 -19.025 6.528 14.637 870 HB2 TYR 106 HB2 TYR 106 -18.014 8.603 12.678 871 HB3 TYR 106 HB1 TYR 106 -19.653 8.407 13.297 872 HD1 TYR 106 HD2 TYR 106 -20.141 8.907 15.720 873 HD2 TYR 106 HD1 TYR 106 -16.356 9.806 13.897 874 HE1 TYR 106 HE2 TYR 106 -19.600 10.442 17.593 875 HE2 TYR 106 HE1 TYR 106 -15.815 11.338 15.766 876 HH TYR 106 HH TYR 106 -17.958 12.604 17.779 877 H LEU 107 HN LEU 107 -16.622 6.872 12.014 878 HA LEU 107 HA LEU 107 -18.173 5.448 10.061 879 HB2 LEU 107 HB2 LEU 107 -15.258 6.174 10.332 880 HB3 LEU 107 HB1 LEU 107 -15.791 5.126 9.016 881 HG LEU 107 HG LEU 107 -17.376 6.833 8.261 882 HD11 LEU 107 HD11 LEU 107 -18.032 7.898 10.294 883 HD12 LEU 107 HD12 LEU 107 -17.173 9.133 9.377 884 HD13 LEU 107 HD13 LEU 107 -16.365 8.302 10.706 885 HD21 LEU 107 HD21 LEU 107 -15.079 6.944 7.393 886 HD22 LEU 107 HD22 LEU 107 -14.594 7.937 8.766 887 HD23 LEU 107 HD23 LEU 107 -15.736 8.570 7.580 888 H LEU 108 HN LEU 108 -15.686 4.419 12.378 889 HA LEU 108 HA LEU 108 -15.429 1.730 11.471 890 HB2 LEU 108 HB2 LEU 108 -14.067 3.126 13.246 891 HB3 LEU 108 HB1 LEU 108 -15.223 2.452 14.390 892 HG LEU 108 HG LEU 108 -13.502 0.835 12.490 893 HD11 LEU 108 HD11 LEU 108 -13.295 1.247 15.486 894 HD12 LEU 108 HD12 LEU 108 -12.213 1.945 14.282 895 HD13 LEU 108 HD13 LEU 108 -12.263 0.198 14.516 896 HD21 LEU 108 HD21 LEU 108 -15.332 -0.553 12.885 897 HD22 LEU 108 HD22 LEU 108 -15.653 0.134 14.479 898 HD23 LEU 108 HD23 LEU 108 -14.310 -0.983 14.251 899 H THR 109 HN THR 109 -17.573 3.149 13.949 900 HA THR 109 HA THR 109 -18.983 0.551 14.234 901 HB THR 109 HB THR 109 -19.555 3.177 15.638 902 HG1 THR 109 HG1 THR 109 -17.527 2.729 16.227 903 HG21 THR 109 HG21 THR 109 -20.412 1.552 17.392 904 HG22 THR 109 HG22 THR 109 -20.245 0.282 16.181 905 HG23 THR 109 HG23 THR 109 -21.358 1.622 15.905 906 H GLY 110 HN GLY 110 -19.182 3.361 12.364 907 HA2 GLY 110 HA2 GLY 110 -20.781 3.885 10.705 908 HA3 GLY 110 HA1 GLY 110 -21.771 2.541 11.275 909 H GLY 111 HN GLY 111 -21.072 4.081 14.023 910 HA2 GLY 111 HA2 GLY 111 -22.420 5.348 15.473 911 HA3 GLY 111 HA1 GLY 111 -22.372 6.525 14.163 912 H GLN 112 HN GLN 112 -24.581 6.879 15.291 913 HA GLN 112 HA GLN 112 -26.717 5.002 14.740 914 HB2 GLN 112 HB2 GLN 112 -26.709 7.923 15.546 915 HB3 GLN 112 HB1 GLN 112 -28.183 6.964 15.381 916 HG2 GLN 112 HG2 GLN 112 -27.368 5.374 17.058 917 HG3 GLN 112 HG1 GLN 112 -25.853 6.266 17.195 918 HE21 GLN 112 HE21 GLN 112 -28.882 5.927 18.623 919 HE22 GLN 112 HE22 GLN 112 -28.961 7.421 19.423 920 H LEU 113 HN LEU 113 -28.211 5.026 13.080 921 HA LEU 113 HA LEU 113 -27.378 6.272 10.580 922 HB2 LEU 113 HB2 LEU 113 -29.797 5.262 9.946 923 HB3 LEU 113 HB1 LEU 113 -28.375 4.236 10.099 924 HG LEU 113 HG LEU 113 -29.976 4.792 12.588 925 HD11 LEU 113 HD11 LEU 113 -30.784 2.807 10.444 926 HD12 LEU 113 HD12 LEU 113 -31.706 4.221 10.954 927 HD13 LEU 113 HD13 LEU 113 -31.463 2.876 12.070 928 HD21 LEU 113 HD21 LEU 113 -29.100 2.717 13.299 929 HD22 LEU 113 HD22 LEU 113 -27.776 3.403 12.363 930 HD23 LEU 113 HD23 LEU 113 -28.804 2.167 11.650 931 H GLU 114 HN GLU 114 -28.241 8.087 9.625 932 HA GLU 114 HA GLU 114 -29.952 9.800 11.294 933 HB2 GLU 114 HB2 GLU 114 -27.975 10.663 9.992 934 HB3 GLU 114 HB1 GLU 114 -28.868 10.321 8.512 935 HG2 GLU 114 HG2 GLU 114 -29.223 12.645 9.038 936 HG3 GLU 114 HG1 GLU 114 -30.723 11.794 9.397 937 H HIS 115 HN HIS 115 -32.111 9.605 11.192 938 HA HIS 115 HA HIS 115 -33.412 8.318 8.893 939 HB2 HIS 115 HB2 HIS 115 -35.453 8.511 10.229 940 HB3 HIS 115 HB1 HIS 115 -34.149 7.879 11.235 941 HD1 HIS 115 HD1 HIS 115 -32.872 9.751 12.744 942 HD2 HIS 115 HD2 HIS 115 -36.591 10.848 11.213 943 HE1 HIS 115 HE1 HIS 115 -33.636 11.756 14.088 944 H HIS 116 HN HIS 116 -32.583 11.483 9.856 945 HA HIS 116 HA HIS 116 -34.770 12.817 8.415 946 HB2 HIS 116 HB2 HIS 116 -33.720 13.829 10.440 947 HB3 HIS 116 HB1 HIS 116 -32.204 13.969 9.552 948 HD1 HIS 116 HD1 HIS 116 -32.132 15.674 7.563 949 HD2 HIS 116 HD2 HIS 116 -35.689 15.733 9.736 950 HE1 HIS 116 HE1 HIS 116 -33.354 17.783 6.879 951 H HIS 117 HN HIS 117 -34.691 13.419 6.305 952 HA HIS 117 HA HIS 117 -32.131 12.984 4.803 953 HB2 HIS 117 HB2 HIS 117 -34.103 11.635 4.089 954 HB3 HIS 117 HB1 HIS 117 -34.979 13.131 3.763 955 HD1 HIS 117 HD1 HIS 117 -34.056 14.649 1.808 956 HD2 HIS 117 HD2 HIS 117 -32.230 10.914 2.119 957 HE1 HIS 117 HE1 HIS 117 -32.790 14.289 -0.355 958 H HIS 118 HN HIS 118 -31.076 14.893 4.573 959 HA HIS 118 HA HIS 118 -32.604 17.425 4.352 960 HB2 HIS 118 HB2 HIS 118 -30.606 17.262 5.847 961 HB3 HIS 118 HB1 HIS 118 -29.606 16.975 4.422 962 HD1 HIS 118 HD1 HIS 118 -29.554 18.950 2.616 963 HD2 HIS 118 HD2 HIS 118 -31.223 19.946 6.304 964 HE1 HIS 118 HE1 HIS 118 -29.639 21.480 2.704 965 H HIS 119 HN HIS 119 -32.944 18.411 2.429 966 HA HIS 119 HA HIS 119 -31.942 17.166 -0.027 967 HB2 HIS 119 HB2 HIS 119 -34.223 17.946 -0.041 968 HB3 HIS 119 HB1 HIS 119 -33.736 19.546 0.515 969 HD1 HIS 119 HD1 HIS 119 -32.674 21.148 -1.212 970 HD2 HIS 119 HD2 HIS 119 -33.726 17.445 -2.810 971 HE1 HIS 119 HE1 HIS 119 -32.526 21.387 -3.728 972 H HIS 120 HN HIS 120 -30.174 17.827 -1.135 973 HA HIS 120 HA HIS 120 -29.227 20.613 -0.959 974 HB2 HIS 120 HB2 HIS 120 -28.126 19.590 0.982 975 HB3 HIS 120 HB1 HIS 120 -27.522 18.278 -0.030 976 HD1 HIS 120 HD1 HIS 120 -27.272 22.080 0.202 977 HD2 HIS 120 HD2 HIS 120 -25.077 18.827 -1.207 978 HE1 HIS 120 HE1 HIS 120 -25.039 22.999 -0.565 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -11.542 -5.073 24.086 2 H2 MET 1 HT2 MET 1 -10.267 -5.353 22.998 3 H3 MET 1 HT3 MET 1 -10.926 -6.641 23.892 4 HA MET 1 HA MET 1 -12.823 -6.760 22.635 5 HB2 MET 1 HB2 MET 1 -12.184 -3.911 21.821 6 HB3 MET 1 HB1 MET 1 -13.498 -4.861 21.124 7 HG2 MET 1 HG2 MET 1 -14.514 -5.133 23.334 8 HG3 MET 1 HG1 MET 1 -13.176 -4.261 24.078 9 HE1 MET 1 HE1 MET 1 -15.553 -3.773 20.889 10 HE2 MET 1 HE2 MET 1 -16.682 -2.654 21.645 11 HE3 MET 1 HE3 MET 1 -16.443 -4.255 22.340 12 H THR 2 HN THR 2 -12.910 -7.657 20.543 13 HA THR 2 HA THR 2 -10.285 -7.765 19.143 14 HB THR 2 HB THR 2 -11.352 -9.702 17.945 15 HG1 THR 2 HG1 THR 2 -13.527 -8.671 18.746 16 HG21 THR 2 HG21 THR 2 -11.257 -11.198 19.889 17 HG22 THR 2 HG22 THR 2 -11.428 -9.816 20.972 18 HG23 THR 2 HG23 THR 2 -9.976 -9.990 19.986 19 H LEU 3 HN LEU 3 -10.032 -6.355 17.521 20 HA LEU 3 HA LEU 3 -12.149 -4.899 16.242 21 HB2 LEU 3 HB2 LEU 3 -9.280 -5.432 15.427 22 HB3 LEU 3 HB1 LEU 3 -10.332 -4.277 14.612 23 HG LEU 3 HG LEU 3 -9.678 -4.190 17.574 24 HD11 LEU 3 HD11 LEU 3 -7.673 -3.818 16.160 25 HD12 LEU 3 HD12 LEU 3 -8.147 -2.361 17.031 26 HD13 LEU 3 HD13 LEU 3 -8.527 -2.525 15.318 27 HD21 LEU 3 HD21 LEU 3 -11.642 -2.947 17.375 28 HD22 LEU 3 HD22 LEU 3 -11.303 -2.469 15.713 29 HD23 LEU 3 HD23 LEU 3 -10.449 -1.696 17.045 30 H GLU 4 HN GLU 4 -10.349 -7.820 15.342 31 HA GLU 4 HA GLU 4 -11.244 -8.140 12.692 32 HB2 GLU 4 HB2 GLU 4 -10.712 -10.214 14.838 33 HB3 GLU 4 HB1 GLU 4 -10.949 -10.606 13.135 34 HG2 GLU 4 HG2 GLU 4 -9.022 -9.214 12.523 35 HG3 GLU 4 HG1 GLU 4 -8.806 -8.751 14.212 36 H LEU 5 HN LEU 5 -12.772 -9.399 15.675 37 HA LEU 5 HA LEU 5 -15.065 -10.476 14.340 38 HB2 LEU 5 HB2 LEU 5 -14.448 -11.132 16.635 39 HB3 LEU 5 HB1 LEU 5 -14.775 -9.495 17.196 40 HG LEU 5 HG LEU 5 -17.139 -9.717 16.559 41 HD11 LEU 5 HD11 LEU 5 -16.174 -12.338 15.432 42 HD12 LEU 5 HD12 LEU 5 -17.251 -11.141 14.709 43 HD13 LEU 5 HD13 LEU 5 -17.841 -12.191 15.992 44 HD21 LEU 5 HD21 LEU 5 -17.801 -11.225 18.299 45 HD22 LEU 5 HD22 LEU 5 -16.259 -10.533 18.802 46 HD23 LEU 5 HD23 LEU 5 -16.317 -12.166 18.139 47 H GLN 6 HN GLN 6 -14.432 -7.348 15.858 48 HA GLN 6 HA GLN 6 -17.058 -6.265 15.575 49 HB2 GLN 6 HB2 GLN 6 -15.335 -5.266 17.023 50 HB3 GLN 6 HB1 GLN 6 -14.370 -4.872 15.601 51 HG2 GLN 6 HG2 GLN 6 -16.050 -3.354 14.786 52 HG3 GLN 6 HG1 GLN 6 -17.180 -3.846 16.048 53 HE21 GLN 6 HE21 GLN 6 -16.426 -1.115 15.789 54 HE22 GLN 6 HE22 GLN 6 -15.474 -0.677 17.127 55 H LEU 7 HN LEU 7 -14.278 -6.352 13.386 56 HA LEU 7 HA LEU 7 -15.309 -4.543 11.433 57 HB2 LEU 7 HB2 LEU 7 -12.955 -5.351 11.483 58 HB3 LEU 7 HB1 LEU 7 -13.517 -6.951 11.004 59 HG LEU 7 HG LEU 7 -14.477 -5.956 8.921 60 HD11 LEU 7 HD11 LEU 7 -14.908 -3.706 9.321 61 HD12 LEU 7 HD12 LEU 7 -13.405 -3.596 8.416 62 HD13 LEU 7 HD13 LEU 7 -13.384 -3.451 10.173 63 HD21 LEU 7 HD21 LEU 7 -12.363 -6.946 8.606 64 HD22 LEU 7 HD22 LEU 7 -11.532 -5.697 9.534 65 HD23 LEU 7 HD23 LEU 7 -12.161 -5.333 7.926 66 H LYS 8 HN LYS 8 -15.596 -8.082 11.736 67 HA LYS 8 HA LYS 8 -17.086 -8.480 9.327 68 HB2 LYS 8 HB2 LYS 8 -17.013 -10.046 11.909 69 HB3 LYS 8 HB1 LYS 8 -17.829 -10.605 10.450 70 HG2 LYS 8 HG2 LYS 8 -15.660 -10.371 9.214 71 HG3 LYS 8 HG1 LYS 8 -14.877 -9.980 10.742 72 HD2 LYS 8 HD2 LYS 8 -16.482 -12.520 10.407 73 HD3 LYS 8 HD1 LYS 8 -14.786 -12.443 9.940 74 HE2 LYS 8 HE2 LYS 8 -15.917 -11.911 12.704 75 HE3 LYS 8 HE1 LYS 8 -14.935 -13.286 12.214 76 HZ1 LYS 8 HZ1 LYS 8 -13.269 -12.008 12.960 77 HZ2 LYS 8 HZ2 LYS 8 -14.142 -10.560 12.795 78 HZ3 LYS 8 HZ3 LYS 8 -13.390 -11.261 11.442 79 H HIS 9 HN HIS 9 -18.057 -7.734 12.637 80 HA HIS 9 HA HIS 9 -20.899 -7.949 12.107 81 HB2 HIS 9 HB2 HIS 9 -19.932 -8.154 14.380 82 HB3 HIS 9 HB1 HIS 9 -19.443 -6.460 14.307 83 HD1 HIS 9 HD1 HIS 9 -21.058 -5.042 15.554 84 HD2 HIS 9 HD2 HIS 9 -22.982 -8.188 13.612 85 HE1 HIS 9 HE1 HIS 9 -23.530 -4.775 16.033 86 H TYR 10 HN TYR 10 -18.589 -5.252 12.321 87 HA TYR 10 HA TYR 10 -20.486 -3.152 11.861 88 HB2 TYR 10 HB2 TYR 10 -18.251 -2.713 12.763 89 HB3 TYR 10 HB1 TYR 10 -17.521 -3.268 11.256 90 HD1 TYR 10 HD1 TYR 10 -19.493 -0.599 12.853 91 HD2 TYR 10 HD2 TYR 10 -17.621 -1.922 9.222 92 HE1 TYR 10 HE1 TYR 10 -19.770 1.667 11.886 93 HE2 TYR 10 HE2 TYR 10 -17.896 0.345 8.253 94 HH TYR 10 HH TYR 10 -19.919 2.507 9.190 95 H ILE 11 HN ILE 11 -18.261 -4.815 9.596 96 HA ILE 11 HA ILE 11 -19.130 -3.391 7.271 97 HB ILE 11 HB ILE 11 -17.040 -4.831 7.513 98 HG12 ILE 11 HG12 ILE 11 -18.773 -5.564 5.138 99 HG13 ILE 11 HG11 ILE 11 -18.006 -3.985 5.316 100 HG21 ILE 11 HG21 ILE 11 -18.426 -6.770 8.464 101 HG22 ILE 11 HG22 ILE 11 -17.200 -7.194 7.278 102 HG23 ILE 11 HG23 ILE 11 -18.897 -7.110 6.805 103 HD11 ILE 11 HD11 ILE 11 -15.797 -5.198 5.575 104 HD12 ILE 11 HD12 ILE 11 -16.533 -5.336 3.978 105 HD13 ILE 11 HD13 ILE 11 -16.639 -6.678 5.116 106 H THR 12 HN THR 12 -20.241 -6.411 8.764 107 HA THR 12 HA THR 12 -22.061 -7.204 6.715 108 HB THR 12 HB THR 12 -23.232 -8.350 8.731 109 HG1 THR 12 HG1 THR 12 -21.179 -8.200 10.336 110 HG21 THR 12 HG21 THR 12 -21.074 -9.790 9.116 111 HG22 THR 12 HG22 THR 12 -20.386 -8.785 7.841 112 HG23 THR 12 HG23 THR 12 -21.815 -9.766 7.517 113 H ASN 13 HN ASN 13 -22.552 -5.184 9.613 114 HA ASN 13 HA ASN 13 -25.354 -4.749 9.191 115 HB2 ASN 13 HB2 ASN 13 -23.238 -3.148 10.649 116 HB3 ASN 13 HB1 ASN 13 -24.949 -2.728 10.670 117 HD21 ASN 13 HD21 ASN 13 -25.563 -5.788 10.573 118 HD22 ASN 13 HD22 ASN 13 -25.335 -6.282 12.178 119 H LEU 14 HN LEU 14 -22.461 -3.105 8.029 120 HA LEU 14 HA LEU 14 -23.732 -0.781 6.993 121 HB2 LEU 14 HB2 LEU 14 -21.174 -1.531 7.218 122 HB3 LEU 14 HB1 LEU 14 -21.400 -2.000 5.542 123 HG LEU 14 HG LEU 14 -20.569 0.257 5.552 124 HD11 LEU 14 HD11 LEU 14 -23.535 0.588 5.104 125 HD12 LEU 14 HD12 LEU 14 -22.541 -0.398 4.028 126 HD13 LEU 14 HD13 LEU 14 -22.199 1.318 4.216 127 HD21 LEU 14 HD21 LEU 14 -21.238 1.939 6.983 128 HD22 LEU 14 HD22 LEU 14 -21.651 0.572 8.010 129 HD23 LEU 14 HD23 LEU 14 -22.904 1.378 7.067 130 H PHE 15 HN PHE 15 -23.065 -3.933 5.456 131 HA PHE 15 HA PHE 15 -24.669 -3.098 3.082 132 HB2 PHE 15 HB2 PHE 15 -22.858 -5.478 3.597 133 HB3 PHE 15 HB1 PHE 15 -23.774 -5.240 2.110 134 HD1 PHE 15 HD2 PHE 15 -23.312 -3.235 0.666 135 HD2 PHE 15 HD1 PHE 15 -20.845 -4.236 4.039 136 HE1 PHE 15 HE2 PHE 15 -21.521 -1.757 -0.204 137 HE2 PHE 15 HE1 PHE 15 -19.054 -2.756 3.166 138 HZ PHE 15 HZ PHE 15 -19.392 -1.517 1.045 139 H ASN 16 HN ASN 16 -25.290 -4.304 6.020 140 HA ASN 16 HA ASN 16 -27.001 -5.582 6.956 141 HB2 ASN 16 HB2 ASN 16 -28.190 -4.953 4.242 142 HB3 ASN 16 HB1 ASN 16 -29.075 -5.841 5.482 143 HD21 ASN 16 HD21 ASN 16 -29.983 -3.268 4.627 144 HD22 ASN 16 HD22 ASN 16 -29.769 -2.170 5.905 145 H LEU 17 HN LEU 17 -24.796 -7.003 5.682 146 HA LEU 17 HA LEU 17 -26.097 -9.351 4.432 147 HB2 LEU 17 HB2 LEU 17 -23.175 -8.782 4.990 148 HB3 LEU 17 HB1 LEU 17 -23.787 -10.136 4.048 149 HG LEU 17 HG LEU 17 -24.414 -7.262 3.347 150 HD11 LEU 17 HD11 LEU 17 -22.177 -8.984 2.242 151 HD12 LEU 17 HD12 LEU 17 -21.954 -7.634 3.354 152 HD13 LEU 17 HD13 LEU 17 -22.586 -7.345 1.733 153 HD21 LEU 17 HD21 LEU 17 -25.903 -8.761 2.230 154 HD22 LEU 17 HD22 LEU 17 -24.615 -9.920 1.904 155 HD23 LEU 17 HD23 LEU 17 -24.658 -8.384 1.045 156 HA PRO 18 HA PRO 18 -26.185 -11.634 8.253 157 HB2 PRO 18 HB2 PRO 18 -25.949 -14.217 7.292 158 HB3 PRO 18 HB1 PRO 18 -27.444 -13.266 7.210 159 HG2 PRO 18 HG2 PRO 18 -25.398 -13.756 5.093 160 HG3 PRO 18 HG1 PRO 18 -27.166 -13.702 4.962 161 HD2 PRO 18 HD2 PRO 18 -25.587 -11.616 4.206 162 HD3 PRO 18 HD1 PRO 18 -27.220 -11.378 4.857 163 H ARG 19 HN ARG 19 -24.727 -12.346 9.784 164 HA ARG 19 HA ARG 19 -21.886 -12.618 8.953 165 HB2 ARG 19 HB2 ARG 19 -21.429 -12.418 11.392 166 HB3 ARG 19 HB1 ARG 19 -22.361 -11.052 10.776 167 HG2 ARG 19 HG2 ARG 19 -24.443 -12.098 11.581 168 HG3 ARG 19 HG1 ARG 19 -23.520 -13.472 12.193 169 HD2 ARG 19 HD2 ARG 19 -23.061 -10.608 13.075 170 HD3 ARG 19 HD1 ARG 19 -24.066 -11.759 13.956 171 HE ARG 19 HE ARG 19 -21.572 -13.012 13.565 172 HH11 ARG 19 HH21 ARG 19 -22.877 -10.211 15.114 173 HH12 ARG 19 HH22 ARG 19 -21.684 -10.196 16.369 174 HH21 ARG 19 HH11 ARG 19 -20.022 -13.000 15.193 175 HH22 ARG 19 HH12 ARG 19 -20.070 -11.773 16.416 176 H ASP 20 HN ASP 20 -24.490 -14.612 9.376 177 HA ASP 20 HA ASP 20 -23.143 -16.784 10.816 178 HB2 ASP 20 HB2 ASP 20 -25.762 -16.619 9.295 179 HB3 ASP 20 HB1 ASP 20 -25.203 -18.080 10.110 180 H GLU 21 HN GLU 21 -22.780 -15.517 7.789 181 HA GLU 21 HA GLU 21 -22.617 -18.019 6.278 182 HB2 GLU 21 HB2 GLU 21 -21.745 -15.189 5.617 183 HB3 GLU 21 HB1 GLU 21 -21.683 -16.540 4.484 184 HG2 GLU 21 HG2 GLU 21 -24.199 -15.586 5.879 185 HG3 GLU 21 HG1 GLU 21 -23.749 -15.157 4.228 186 H LYS 22 HN LYS 22 -20.779 -19.181 5.829 187 HA LYS 22 HA LYS 22 -18.499 -18.820 7.569 188 HB2 LYS 22 HB2 LYS 22 -19.328 -21.029 6.754 189 HB3 LYS 22 HB1 LYS 22 -18.757 -20.603 5.139 190 HG2 LYS 22 HG2 LYS 22 -16.471 -20.414 5.941 191 HG3 LYS 22 HG1 LYS 22 -16.996 -20.666 7.603 192 HD2 LYS 22 HD2 LYS 22 -16.187 -22.786 6.892 193 HD3 LYS 22 HD1 LYS 22 -17.941 -22.912 6.814 194 HE2 LYS 22 HE2 LYS 22 -17.953 -22.671 4.439 195 HE3 LYS 22 HE1 LYS 22 -16.273 -22.135 4.409 196 HZ1 LYS 22 HZ1 LYS 22 -15.763 -24.253 4.056 197 HZ2 LYS 22 HZ2 LYS 22 -17.332 -24.787 4.432 198 HZ3 LYS 22 HZ3 LYS 22 -16.193 -24.553 5.670 199 H TRP 23 HN TRP 23 -16.606 -17.788 7.171 200 HA TRP 23 HA TRP 23 -16.246 -16.484 4.503 201 HB2 TRP 23 HB2 TRP 23 -15.398 -15.850 7.321 202 HB3 TRP 23 HB1 TRP 23 -14.415 -15.240 5.989 203 HD1 TRP 23 HD1 TRP 23 -18.168 -15.582 5.529 204 HE1 TRP 23 HE1 TRP 23 -19.205 -13.233 5.344 205 HE3 TRP 23 HE3 TRP 23 -14.110 -12.744 6.744 206 HZ2 TRP 23 HZ2 TRP 23 -18.412 -10.503 5.667 207 HZ3 TRP 23 HZ3 TRP 23 -14.274 -10.273 6.797 208 HH2 TRP 23 HH2 TRP 23 -16.418 -9.150 6.261 209 H GLU 24 HN GLU 24 -14.225 -16.671 3.424 210 HA GLU 24 HA GLU 24 -12.570 -19.014 4.310 211 HB2 GLU 24 HB2 GLU 24 -13.727 -19.111 2.065 212 HB3 GLU 24 HB1 GLU 24 -12.721 -17.754 1.563 213 HG2 GLU 24 HG2 GLU 24 -11.613 -19.761 0.832 214 HG3 GLU 24 HG1 GLU 24 -10.701 -19.138 2.207 215 H CYS 25 HN CYS 25 -10.703 -18.430 5.222 216 HA CYS 25 HA CYS 25 -9.644 -15.730 4.952 217 HB2 CYS 25 HB2 CYS 25 -7.829 -16.623 6.439 218 HB3 CYS 25 HB1 CYS 25 -9.452 -16.863 7.086 219 HG CYS 25 HG CYS 25 -7.638 -19.111 5.942 220 H GLU 26 HN GLU 26 -8.284 -15.079 3.380 221 HA GLU 26 HA GLU 26 -6.455 -17.092 2.116 222 HB2 GLU 26 HB2 GLU 26 -8.358 -16.531 0.596 223 HB3 GLU 26 HB1 GLU 26 -7.893 -14.831 0.690 224 HG2 GLU 26 HG2 GLU 26 -5.696 -15.350 -0.240 225 HG3 GLU 26 HG1 GLU 26 -6.086 -17.068 -0.270 226 H SER 27 HN SER 27 -4.493 -16.479 2.888 227 HA SER 27 HA SER 27 -3.917 -13.591 3.289 228 HB2 SER 27 HB2 SER 27 -3.388 -15.046 5.155 229 HB3 SER 27 HB1 SER 27 -2.433 -16.094 4.111 230 HG SER 27 HG SER 27 -0.970 -14.757 5.005 231 H ILE 28 HN ILE 28 -2.705 -12.479 1.864 232 HA ILE 28 HA ILE 28 -0.744 -13.943 0.156 233 HB ILE 28 HB ILE 28 -1.460 -12.579 -1.801 234 HG12 ILE 28 HG12 ILE 28 -3.840 -11.861 -0.060 235 HG13 ILE 28 HG11 ILE 28 -2.533 -10.748 -0.470 236 HG21 ILE 28 HG21 ILE 28 -2.300 -14.899 -1.379 237 HG22 ILE 28 HG22 ILE 28 -3.415 -13.909 -2.320 238 HG23 ILE 28 HG23 ILE 28 -3.718 -14.197 -0.608 239 HD11 ILE 28 HD11 ILE 28 -3.036 -11.192 -2.906 240 HD12 ILE 28 HD12 ILE 28 -4.321 -10.352 -2.038 241 HD13 ILE 28 HD13 ILE 28 -4.468 -12.076 -2.382 242 H GLU 29 HN GLU 29 1.052 -12.631 -0.470 243 HA GLU 29 HA GLU 29 1.405 -10.252 1.286 244 HB2 GLU 29 HB2 GLU 29 3.104 -12.108 1.245 245 HB3 GLU 29 HB1 GLU 29 3.463 -11.662 -0.424 246 HG2 GLU 29 HG2 GLU 29 4.115 -9.427 0.254 247 HG3 GLU 29 HG1 GLU 29 3.620 -9.747 1.917 248 H GLU 30 HN GLU 30 1.249 -8.235 0.448 249 HA GLU 30 HA GLU 30 1.924 -7.799 -2.421 250 HB2 GLU 30 HB2 GLU 30 -0.534 -8.154 -2.318 251 HB3 GLU 30 HB1 GLU 30 -0.660 -6.848 -1.137 252 HG2 GLU 30 HG2 GLU 30 0.218 -5.245 -2.753 253 HG3 GLU 30 HG1 GLU 30 0.487 -6.532 -3.928 254 H VAL 31 HN VAL 31 2.431 -5.567 -2.874 255 HA VAL 31 HA VAL 31 3.757 -4.243 -0.691 256 HB VAL 31 HB VAL 31 3.165 -3.144 -3.442 257 HG11 VAL 31 HG11 VAL 31 5.116 -1.755 -3.037 258 HG12 VAL 31 HG12 VAL 31 5.432 -2.572 -1.507 259 HG13 VAL 31 HG13 VAL 31 4.008 -1.549 -1.682 260 HG21 VAL 31 HG21 VAL 31 4.258 -5.236 -3.796 261 HG22 VAL 31 HG22 VAL 31 5.320 -5.002 -2.408 262 HG23 VAL 31 HG23 VAL 31 5.545 -4.032 -3.863 263 H ALA 32 HN ALA 32 3.117 -2.518 0.523 264 HA ALA 32 HA ALA 32 0.353 -1.906 0.828 265 HB1 ALA 32 HB1 ALA 32 2.899 -0.565 1.731 266 HB2 ALA 32 HB2 ALA 32 1.744 -1.487 2.694 267 HB3 ALA 32 HB3 ALA 32 1.322 0.123 2.115 268 H ASP 33 HN ASP 33 2.909 -0.274 -1.039 269 HA ASP 33 HA ASP 33 1.298 2.038 -1.661 270 HB2 ASP 33 HB2 ASP 33 3.031 2.629 -3.213 271 HB3 ASP 33 HB1 ASP 33 3.820 1.906 -1.813 272 H ASP 34 HN ASP 34 0.952 -1.140 -2.605 273 HA ASP 34 HA ASP 34 -0.074 -0.510 -5.324 274 HB2 ASP 34 HB2 ASP 34 1.294 -2.568 -4.931 275 HB3 ASP 34 HB1 ASP 34 0.027 -3.161 -3.857 276 H ILE 35 HN ILE 35 -1.163 -1.053 -2.081 277 HA ILE 35 HA ILE 35 -4.018 -1.154 -3.015 278 HB ILE 35 HB ILE 35 -4.404 -2.019 -0.623 279 HG12 ILE 35 HG12 ILE 35 -1.478 -2.755 -0.780 280 HG13 ILE 35 HG11 ILE 35 -2.008 -1.283 0.033 281 HG21 ILE 35 HG21 ILE 35 -2.920 -3.570 -2.743 282 HG22 ILE 35 HG22 ILE 35 -4.650 -3.564 -2.404 283 HG23 ILE 35 HG23 ILE 35 -3.535 -4.341 -1.281 284 HD11 ILE 35 HD11 ILE 35 -1.763 -3.456 1.451 285 HD12 ILE 35 HD12 ILE 35 -3.284 -3.935 0.699 286 HD13 ILE 35 HD13 ILE 35 -3.205 -2.466 1.672 287 H LEU 36 HN LEU 36 -1.631 0.534 -1.122 288 HA LEU 36 HA LEU 36 -3.729 2.390 -0.103 289 HB2 LEU 36 HB2 LEU 36 -0.921 1.884 0.835 290 HB3 LEU 36 HB1 LEU 36 -1.957 3.159 1.467 291 HG LEU 36 HG LEU 36 -3.056 0.359 1.369 292 HD11 LEU 36 HD11 LEU 36 -0.988 -0.124 2.414 293 HD12 LEU 36 HD12 LEU 36 -2.128 0.098 3.738 294 HD13 LEU 36 HD13 LEU 36 -1.002 1.386 3.324 295 HD21 LEU 36 HD21 LEU 36 -4.342 1.114 3.267 296 HD22 LEU 36 HD22 LEU 36 -4.401 2.409 2.075 297 HD23 LEU 36 HD23 LEU 36 -3.327 2.540 3.464 298 HA PRO 37 HA PRO 37 -2.227 4.898 -3.646 299 HB2 PRO 37 HB2 PRO 37 -3.938 6.854 -2.140 300 HB3 PRO 37 HB1 PRO 37 -3.873 6.530 -3.883 301 HG2 PRO 37 HG2 PRO 37 -5.852 5.581 -2.381 302 HG3 PRO 37 HG1 PRO 37 -5.163 4.620 -3.705 303 HD2 PRO 37 HD2 PRO 37 -4.824 4.280 -0.760 304 HD3 PRO 37 HD1 PRO 37 -4.779 3.055 -2.057 305 H ASP 38 HN ASP 38 -1.066 6.994 -3.838 306 HA ASP 38 HA ASP 38 1.082 7.293 -2.019 307 HB2 ASP 38 HB2 ASP 38 0.874 8.167 -4.420 308 HB3 ASP 38 HB1 ASP 38 -0.029 9.521 -3.739 309 H GLN 39 HN GLN 39 -1.924 9.196 -2.302 310 HA GLN 39 HA GLN 39 -1.401 11.102 -0.292 311 HB2 GLN 39 HB2 GLN 39 -3.966 11.069 0.005 312 HB3 GLN 39 HB1 GLN 39 -3.345 11.449 -1.601 313 HG2 GLN 39 HG2 GLN 39 -3.706 9.156 -2.334 314 HG3 GLN 39 HG1 GLN 39 -4.206 8.684 -0.710 315 HE21 GLN 39 HE21 GLN 39 -6.185 8.081 -2.318 316 HE22 GLN 39 HE22 GLN 39 -7.396 9.270 -2.406 317 H TYR 40 HN TYR 40 -2.058 7.715 0.002 318 HA TYR 40 HA TYR 40 -2.429 7.995 2.969 319 HB2 TYR 40 HB2 TYR 40 -3.238 5.873 0.977 320 HB3 TYR 40 HB1 TYR 40 -3.158 5.524 2.705 321 HD1 TYR 40 HD1 TYR 40 -4.351 7.287 4.270 322 HD2 TYR 40 HD2 TYR 40 -5.242 6.748 0.101 323 HE1 TYR 40 HE1 TYR 40 -6.563 8.352 4.606 324 HE2 TYR 40 HE2 TYR 40 -7.458 7.816 0.440 325 HH TYR 40 HH TYR 40 -8.497 9.423 2.065 326 H VAL 41 HN VAL 41 0.031 7.670 0.902 327 HA VAL 41 HA VAL 41 1.572 5.943 2.792 328 HB VAL 41 HB VAL 41 1.607 5.691 -0.231 329 HG11 VAL 41 HG11 VAL 41 3.118 3.706 0.390 330 HG12 VAL 41 HG12 VAL 41 3.281 4.470 1.972 331 HG13 VAL 41 HG13 VAL 41 3.831 5.315 0.524 332 HG21 VAL 41 HG21 VAL 41 -0.338 4.617 0.716 333 HG22 VAL 41 HG22 VAL 41 0.631 3.872 1.989 334 HG23 VAL 41 HG23 VAL 41 0.831 3.361 0.311 335 H ARG 42 HN ARG 42 1.820 8.042 -0.091 336 HA ARG 42 HA ARG 42 3.659 9.390 -0.776 337 HB2 ARG 42 HB2 ARG 42 3.910 11.292 0.892 338 HB3 ARG 42 HB1 ARG 42 2.264 10.961 0.369 339 HG2 ARG 42 HG2 ARG 42 1.794 9.736 2.410 340 HG3 ARG 42 HG1 ARG 42 3.472 9.867 2.929 341 HD2 ARG 42 HD2 ARG 42 3.226 12.343 2.970 342 HD3 ARG 42 HD1 ARG 42 1.527 12.158 2.534 343 HE ARG 42 HE ARG 42 2.727 11.546 5.158 344 HH11 ARG 42 HH21 ARG 42 0.069 11.225 2.974 345 HH12 ARG 42 HH22 ARG 42 -1.080 10.891 4.225 346 HH21 ARG 42 HH11 ARG 42 1.242 11.117 6.787 347 HH22 ARG 42 HH12 ARG 42 -0.418 10.830 6.383 348 H LEU 43 HN LEU 43 5.055 10.489 1.978 349 HA LEU 43 HA LEU 43 7.440 8.793 1.592 350 HB2 LEU 43 HB2 LEU 43 6.811 11.312 3.138 351 HB3 LEU 43 HB1 LEU 43 8.307 10.427 3.432 352 HG LEU 43 HG LEU 43 8.883 10.610 1.031 353 HD11 LEU 43 HD11 LEU 43 6.225 12.049 0.945 354 HD12 LEU 43 HD12 LEU 43 6.766 10.699 -0.051 355 HD13 LEU 43 HD13 LEU 43 7.459 12.301 -0.290 356 HD21 LEU 43 HD21 LEU 43 8.201 13.184 2.479 357 HD22 LEU 43 HD22 LEU 43 9.151 13.136 0.994 358 HD23 LEU 43 HD23 LEU 43 9.754 12.349 2.452 359 H GLY 44 HN GLY 44 4.634 8.563 3.306 360 HA2 GLY 44 HA2 GLY 44 5.156 7.992 5.946 361 HA3 GLY 44 HA1 GLY 44 4.009 7.048 4.998 362 HA PRO 45 HA PRO 45 7.884 4.512 6.193 363 HB2 PRO 45 HB2 PRO 45 6.859 3.082 8.299 364 HB3 PRO 45 HB1 PRO 45 7.687 4.638 8.502 365 HG2 PRO 45 HG2 PRO 45 4.760 4.048 8.454 366 HG3 PRO 45 HG1 PRO 45 5.669 5.160 9.496 367 HD2 PRO 45 HD2 PRO 45 4.233 6.008 7.315 368 HD3 PRO 45 HD1 PRO 45 5.681 6.853 7.907 369 H LEU 46 HN LEU 46 4.592 4.055 5.436 370 HA LEU 46 HA LEU 46 4.760 1.145 5.047 371 HB2 LEU 46 HB2 LEU 46 2.650 3.133 4.142 372 HB3 LEU 46 HB1 LEU 46 2.477 1.378 4.172 373 HG LEU 46 HG LEU 46 2.960 3.134 6.600 374 HD11 LEU 46 HD11 LEU 46 0.471 1.729 5.586 375 HD12 LEU 46 HD12 LEU 46 0.711 3.469 5.745 376 HD13 LEU 46 HD13 LEU 46 0.618 2.457 7.186 377 HD21 LEU 46 HD21 LEU 46 3.876 1.048 7.174 378 HD22 LEU 46 HD22 LEU 46 2.712 0.155 6.193 379 HD23 LEU 46 HD23 LEU 46 2.211 0.880 7.719 380 H SER 47 HN SER 47 5.968 3.783 3.471 381 HA SER 47 HA SER 47 5.364 3.256 0.730 382 HB2 SER 47 HB2 SER 47 7.894 4.500 1.812 383 HB3 SER 47 HB1 SER 47 7.184 4.739 0.217 384 HG SER 47 HG SER 47 5.819 5.326 2.629 385 H ASN 48 HN ASN 48 6.285 1.935 -0.765 386 HA ASN 48 HA ASN 48 7.394 0.016 -1.533 387 HB2 ASN 48 HB2 ASN 48 9.617 1.446 -0.046 388 HB3 ASN 48 HB1 ASN 48 9.874 0.079 -1.131 389 HD21 ASN 48 HD21 ASN 48 7.347 1.444 -2.619 390 HD22 ASN 48 HD22 ASN 48 8.125 2.574 -3.619 391 H LYS 49 HN LYS 49 6.405 0.204 1.498 392 HA LYS 49 HA LYS 49 8.009 -2.003 2.640 393 HB2 LYS 49 HB2 LYS 49 7.206 -0.066 4.029 394 HB3 LYS 49 HB1 LYS 49 5.558 -0.641 3.780 395 HG2 LYS 49 HG2 LYS 49 6.127 -2.790 4.816 396 HG3 LYS 49 HG1 LYS 49 7.794 -2.264 5.026 397 HD2 LYS 49 HD2 LYS 49 7.029 -0.411 6.472 398 HD3 LYS 49 HD1 LYS 49 5.362 -0.958 6.280 399 HE2 LYS 49 HE2 LYS 49 5.941 -3.122 7.302 400 HE3 LYS 49 HE1 LYS 49 7.617 -2.597 7.476 401 HZ1 LYS 49 HZ1 LYS 49 6.340 -0.583 8.649 402 HZ2 LYS 49 HZ2 LYS 49 6.898 -1.951 9.488 403 HZ3 LYS 49 HZ3 LYS 49 5.271 -1.849 9.011 404 H ILE 50 HN ILE 50 7.336 -4.112 2.673 405 HA ILE 50 HA ILE 50 4.930 -4.805 1.135 406 HB ILE 50 HB ILE 50 7.046 -6.513 2.451 407 HG12 ILE 50 HG12 ILE 50 6.586 -5.872 -0.476 408 HG13 ILE 50 HG11 ILE 50 7.715 -4.977 0.541 409 HG21 ILE 50 HG21 ILE 50 6.039 -8.197 0.720 410 HG22 ILE 50 HG22 ILE 50 4.615 -7.160 0.781 411 HG23 ILE 50 HG23 ILE 50 5.196 -7.950 2.248 412 HD11 ILE 50 HD11 ILE 50 8.834 -6.795 -0.742 413 HD12 ILE 50 HD12 ILE 50 7.810 -7.971 0.083 414 HD13 ILE 50 HD13 ILE 50 8.974 -7.017 1.002 415 H LEU 51 HN LEU 51 2.991 -5.102 2.074 416 HA LEU 51 HA LEU 51 2.885 -5.729 4.997 417 HB2 LEU 51 HB2 LEU 51 1.155 -4.125 3.147 418 HB3 LEU 51 HB1 LEU 51 0.407 -4.866 4.556 419 HG LEU 51 HG LEU 51 1.230 -2.506 4.916 420 HD11 LEU 51 HD11 LEU 51 1.794 -2.904 7.123 421 HD12 LEU 51 HD12 LEU 51 2.859 -4.248 6.745 422 HD13 LEU 51 HD13 LEU 51 1.111 -4.472 6.718 423 HD21 LEU 51 HD21 LEU 51 3.345 -3.007 3.480 424 HD22 LEU 51 HD22 LEU 51 4.006 -3.670 4.976 425 HD23 LEU 51 HD23 LEU 51 3.523 -1.980 4.901 426 H GLN 52 HN GLN 52 1.510 -7.324 5.749 427 HA GLN 52 HA GLN 52 0.954 -9.469 3.818 428 HB2 GLN 52 HB2 GLN 52 1.917 -9.922 6.079 429 HB3 GLN 52 HB1 GLN 52 0.426 -9.326 6.804 430 HG2 GLN 52 HG2 GLN 52 0.330 -11.754 6.683 431 HG3 GLN 52 HG1 GLN 52 -0.834 -11.083 5.540 432 HE21 GLN 52 HE21 GLN 52 -0.776 -12.673 3.891 433 HE22 GLN 52 HE22 GLN 52 0.633 -13.103 3.047 434 H THR 53 HN THR 53 -0.871 -9.106 2.616 435 HA THR 53 HA THR 53 -3.229 -7.814 3.856 436 HB THR 53 HB THR 53 -4.121 -8.131 1.444 437 HG1 THR 53 HG1 THR 53 -2.241 -8.330 -0.002 438 HG21 THR 53 HG21 THR 53 -3.492 -5.943 1.967 439 HG22 THR 53 HG22 THR 53 -2.417 -6.316 0.624 440 HG23 THR 53 HG23 THR 53 -1.813 -6.385 2.278 441 H ASN 54 HN ASN 54 -5.068 -8.896 4.411 442 HA ASN 54 HA ASN 54 -5.269 -11.809 3.733 443 HB2 ASN 54 HB2 ASN 54 -5.841 -10.376 6.332 444 HB3 ASN 54 HB1 ASN 54 -6.464 -11.991 5.980 445 HD21 ASN 54 HD21 ASN 54 -4.606 -11.605 8.112 446 HD22 ASN 54 HD22 ASN 54 -3.135 -12.339 7.691 447 H THR 55 HN THR 55 -6.759 -11.681 2.107 448 HA THR 55 HA THR 55 -9.195 -10.026 2.507 449 HB THR 55 HB THR 55 -8.223 -11.570 0.092 450 HG1 THR 55 HG1 THR 55 -7.452 -9.675 -0.578 451 HG21 THR 55 HG21 THR 55 -10.580 -9.734 0.562 452 HG22 THR 55 HG22 THR 55 -10.611 -11.402 -0.007 453 HG23 THR 55 HG23 THR 55 -9.978 -10.127 -1.048 454 H TYR 56 HN TYR 56 -11.213 -10.922 2.753 455 HA TYR 56 HA TYR 56 -11.314 -13.898 3.087 456 HB2 TYR 56 HB2 TYR 56 -13.038 -11.674 4.204 457 HB3 TYR 56 HB1 TYR 56 -13.393 -13.392 4.405 458 HD1 TYR 56 HD1 TYR 56 -11.004 -10.682 5.211 459 HD2 TYR 56 HD2 TYR 56 -12.088 -14.783 5.876 460 HE1 TYR 56 HE1 TYR 56 -9.416 -10.794 7.114 461 HE2 TYR 56 HE2 TYR 56 -10.504 -14.895 7.779 462 HH TYR 56 HH TYR 56 -8.159 -12.489 8.358 463 H TYR 57 HN TYR 57 -12.532 -15.050 1.666 464 HA TYR 57 HA TYR 57 -14.399 -13.542 -0.150 465 HB2 TYR 57 HB2 TYR 57 -12.693 -15.997 -0.662 466 HB3 TYR 57 HB1 TYR 57 -13.913 -15.391 -1.782 467 HD1 TYR 57 HD2 TYR 57 -13.682 -13.063 -2.722 468 HD2 TYR 57 HD1 TYR 57 -10.541 -14.970 -0.498 469 HE1 TYR 57 HE2 TYR 57 -12.050 -11.431 -3.629 470 HE2 TYR 57 HE1 TYR 57 -8.908 -13.336 -1.405 471 HH TYR 57 HH TYR 57 -9.765 -10.487 -2.831 472 H SER 58 HN SER 58 -16.481 -14.176 -0.106 473 HA SER 58 HA SER 58 -17.155 -16.907 0.894 474 HB2 SER 58 HB2 SER 58 -17.358 -14.912 2.636 475 HB3 SER 58 HB1 SER 58 -18.854 -14.587 1.766 476 HG SER 58 HG SER 58 -19.649 -16.155 2.907 477 H ASP 59 HN ASP 59 -19.449 -17.472 0.345 478 HA ASP 59 HA ASP 59 -20.021 -16.910 -2.409 479 HB2 ASP 59 HB2 ASP 59 -22.164 -18.107 -1.940 480 HB3 ASP 59 HB1 ASP 59 -20.751 -18.985 -1.357 481 H THR 60 HN THR 60 -21.423 -15.670 0.619 482 HA THR 60 HA THR 60 -23.427 -14.041 -0.660 483 HB THR 60 HB THR 60 -22.130 -13.547 2.030 484 HG1 THR 60 HG1 THR 60 -22.813 -15.713 1.836 485 HG21 THR 60 HG21 THR 60 -23.771 -11.880 0.950 486 HG22 THR 60 HG22 THR 60 -24.136 -12.431 2.582 487 HG23 THR 60 HG23 THR 60 -25.000 -13.119 1.208 488 H LEU 61 HN LEU 61 -20.161 -13.380 0.577 489 HA LEU 61 HA LEU 61 -20.145 -10.588 -0.046 490 HB2 LEU 61 HB2 LEU 61 -18.050 -12.676 0.483 491 HB3 LEU 61 HB1 LEU 61 -17.527 -11.145 -0.208 492 HG LEU 61 HG LEU 61 -18.817 -10.015 1.720 493 HD11 LEU 61 HD11 LEU 61 -18.503 -12.699 3.059 494 HD12 LEU 61 HD12 LEU 61 -20.009 -12.248 2.266 495 HD13 LEU 61 HD13 LEU 61 -19.409 -11.294 3.614 496 HD21 LEU 61 HD21 LEU 61 -16.510 -11.771 2.583 497 HD22 LEU 61 HD22 LEU 61 -16.930 -10.168 3.182 498 HD23 LEU 61 HD23 LEU 61 -16.294 -10.361 1.553 499 H HIS 62 HN HIS 62 -19.223 -13.448 -1.927 500 HA HIS 62 HA HIS 62 -18.139 -12.084 -4.169 501 HB2 HIS 62 HB2 HIS 62 -18.055 -14.555 -3.790 502 HB3 HIS 62 HB1 HIS 62 -19.774 -14.636 -4.173 503 HD1 HIS 62 HD1 HIS 62 -20.478 -14.044 -6.642 504 HD2 HIS 62 HD2 HIS 62 -16.363 -14.284 -6.022 505 HE1 HIS 62 HE1 HIS 62 -19.412 -14.144 -8.937 506 H LYS 63 HN LYS 63 -21.480 -13.089 -3.454 507 HA LYS 63 HA LYS 63 -22.636 -12.000 -5.850 508 HB2 LYS 63 HB2 LYS 63 -23.817 -12.558 -3.115 509 HB3 LYS 63 HB1 LYS 63 -24.769 -12.111 -4.530 510 HG2 LYS 63 HG2 LYS 63 -23.982 -14.092 -5.730 511 HG3 LYS 63 HG1 LYS 63 -22.921 -14.511 -4.389 512 HD2 LYS 63 HD2 LYS 63 -24.818 -15.883 -4.057 513 HD3 LYS 63 HD1 LYS 63 -25.054 -14.546 -2.935 514 HE2 LYS 63 HE2 LYS 63 -26.633 -13.483 -4.407 515 HE3 LYS 63 HE1 LYS 63 -26.246 -14.589 -5.723 516 HZ1 LYS 63 HZ1 LYS 63 -26.935 -16.287 -3.775 517 HZ2 LYS 63 HZ2 LYS 63 -28.010 -15.705 -4.955 518 HZ3 LYS 63 HZ3 LYS 63 -27.953 -14.977 -3.421 519 H SER 64 HN SER 64 -22.164 -10.707 -2.574 520 HA SER 64 HA SER 64 -23.437 -8.163 -3.141 521 HB2 SER 64 HB2 SER 64 -23.135 -9.156 -0.840 522 HB3 SER 64 HB1 SER 64 -21.412 -8.822 -0.980 523 HG SER 64 HG SER 64 -21.998 -6.956 -0.188 524 H ASN 65 HN ASN 65 -20.553 -9.544 -4.117 525 HA ASN 65 HA ASN 65 -18.636 -8.716 -5.150 526 HB2 ASN 65 HB2 ASN 65 -20.505 -6.363 -5.537 527 HB3 ASN 65 HB1 ASN 65 -18.886 -6.431 -6.228 528 HD21 ASN 65 HD21 ASN 65 -21.215 -6.377 -7.904 529 HD22 ASN 65 HD22 ASN 65 -21.333 -7.874 -8.696 530 H ILE 66 HN ILE 66 -18.832 -8.444 -2.274 531 HA ILE 66 HA ILE 66 -17.289 -5.909 -1.805 532 HB ILE 66 HB ILE 66 -18.647 -7.712 0.224 533 HG12 ILE 66 HG12 ILE 66 -20.348 -6.726 -1.196 534 HG13 ILE 66 HG11 ILE 66 -20.338 -5.859 0.337 535 HG21 ILE 66 HG21 ILE 66 -17.409 -4.950 0.393 536 HG22 ILE 66 HG22 ILE 66 -16.842 -6.414 1.196 537 HG23 ILE 66 HG23 ILE 66 -18.373 -5.682 1.676 538 HD11 ILE 66 HD11 ILE 66 -18.669 -4.238 -0.893 539 HD12 ILE 66 HD12 ILE 66 -20.393 -4.104 -1.216 540 HD13 ILE 66 HD13 ILE 66 -19.347 -4.950 -2.356 541 H TYR 67 HN TYR 67 -15.149 -6.134 -1.424 542 HA TYR 67 HA TYR 67 -14.119 -8.846 -0.639 543 HB2 TYR 67 HB2 TYR 67 -12.798 -6.793 -2.413 544 HB3 TYR 67 HB1 TYR 67 -12.133 -8.365 -1.972 545 HD1 TYR 67 HD2 TYR 67 -13.756 -10.420 -2.392 546 HD2 TYR 67 HD1 TYR 67 -14.032 -6.635 -4.405 547 HE1 TYR 67 HE2 TYR 67 -15.019 -11.494 -4.237 548 HE2 TYR 67 HE1 TYR 67 -15.299 -7.708 -6.247 549 HH TYR 67 HH TYR 67 -15.321 -10.476 -7.090 550 HA PRO 68 HA PRO 68 -12.736 -5.819 2.557 551 HB2 PRO 68 HB2 PRO 68 -13.109 -7.436 4.737 552 HB3 PRO 68 HB1 PRO 68 -14.392 -6.443 4.023 553 HG2 PRO 68 HG2 PRO 68 -13.920 -9.364 3.801 554 HG3 PRO 68 HG1 PRO 68 -15.442 -8.459 3.784 555 HD2 PRO 68 HD2 PRO 68 -14.140 -9.480 1.519 556 HD3 PRO 68 HD1 PRO 68 -15.405 -8.230 1.495 557 H PHE 69 HN PHE 69 -10.717 -5.667 3.561 558 HA PHE 69 HA PHE 69 -9.031 -8.104 3.721 559 HB2 PHE 69 HB2 PHE 69 -7.195 -7.013 2.505 560 HB3 PHE 69 HB1 PHE 69 -8.619 -7.146 1.473 561 HD1 PHE 69 HD1 PHE 69 -6.516 -4.841 3.447 562 HD2 PHE 69 HD2 PHE 69 -9.914 -5.182 0.841 563 HE1 PHE 69 HE1 PHE 69 -6.516 -2.382 3.125 564 HE2 PHE 69 HE2 PHE 69 -9.913 -2.723 0.520 565 HZ PHE 69 HZ PHE 69 -8.213 -1.323 1.660 566 H ILE 70 HN ILE 70 -7.292 -7.903 5.182 567 HA ILE 70 HA ILE 70 -7.254 -5.396 6.828 568 HB ILE 70 HB ILE 70 -7.114 -8.260 7.820 569 HG12 ILE 70 HG12 ILE 70 -9.144 -6.087 8.415 570 HG13 ILE 70 HG11 ILE 70 -9.386 -7.327 7.186 571 HG21 ILE 70 HG21 ILE 70 -6.684 -5.577 9.148 572 HG22 ILE 70 HG22 ILE 70 -5.647 -7.001 9.199 573 HG23 ILE 70 HG23 ILE 70 -7.176 -6.992 10.078 574 HD11 ILE 70 HD11 ILE 70 -8.745 -7.979 10.070 575 HD12 ILE 70 HD12 ILE 70 -9.315 -9.083 8.818 576 HD13 ILE 70 HD13 ILE 70 -10.394 -7.846 9.463 577 H LEU 71 HN LEU 71 -5.238 -4.587 7.137 578 HA LEU 71 HA LEU 71 -2.955 -6.071 5.972 579 HB2 LEU 71 HB2 LEU 71 -2.954 -3.320 7.232 580 HB3 LEU 71 HB1 LEU 71 -1.777 -3.983 6.100 581 HG LEU 71 HG LEU 71 -4.646 -3.196 5.550 582 HD11 LEU 71 HD11 LEU 71 -2.665 -1.539 5.479 583 HD12 LEU 71 HD12 LEU 71 -3.715 -1.611 4.064 584 HD13 LEU 71 HD13 LEU 71 -2.149 -2.420 4.043 585 HD21 LEU 71 HD21 LEU 71 -4.420 -5.257 4.379 586 HD22 LEU 71 HD22 LEU 71 -2.753 -4.903 3.923 587 HD23 LEU 71 HD23 LEU 71 -4.081 -4.013 3.180 588 H TYR 72 HN TYR 72 -1.463 -7.088 7.166 589 HA TYR 72 HA TYR 72 -1.415 -6.616 10.128 590 HB2 TYR 72 HB2 TYR 72 -1.140 -9.184 8.555 591 HB3 TYR 72 HB1 TYR 72 -0.697 -9.039 10.257 592 HD1 TYR 72 HD1 TYR 72 -2.495 -8.025 11.844 593 HD2 TYR 72 HD2 TYR 72 -3.372 -9.682 7.979 594 HE1 TYR 72 HE1 TYR 72 -4.862 -8.325 12.511 595 HE2 TYR 72 HE2 TYR 72 -5.743 -9.981 8.646 596 HH TYR 72 HH TYR 72 -6.860 -10.203 11.401 597 H TYR 73 HN TYR 73 0.595 -6.626 11.106 598 HA TYR 73 HA TYR 73 3.015 -7.044 9.453 599 HB2 TYR 73 HB2 TYR 73 2.567 -4.668 9.131 600 HB3 TYR 73 HB1 TYR 73 2.356 -4.441 10.867 601 HD1 TYR 73 HD2 TYR 73 4.843 -5.541 8.302 602 HD2 TYR 73 HD1 TYR 73 4.214 -3.967 12.249 603 HE1 TYR 73 HE2 TYR 73 7.283 -5.171 8.544 604 HE2 TYR 73 HE1 TYR 73 6.653 -3.596 12.491 605 HH TYR 73 HH TYR 73 8.616 -3.267 11.016 606 H GLN 74 HN GLN 74 3.376 -8.808 10.824 607 HA GLN 74 HA GLN 74 4.449 -9.833 12.627 608 HB2 GLN 74 HB2 GLN 74 5.651 -7.501 12.748 609 HB3 GLN 74 HB1 GLN 74 4.580 -7.209 14.118 610 HG2 GLN 74 HG2 GLN 74 6.622 -8.130 14.994 611 HG3 GLN 74 HG1 GLN 74 5.388 -9.386 15.109 612 HE21 GLN 74 HE21 GLN 74 6.245 -11.372 14.501 613 HE22 GLN 74 HE22 GLN 74 7.366 -11.615 13.250 614 H LYS 75 HN LYS 75 1.658 -9.664 12.352 615 HA LYS 75 HA LYS 75 -0.215 -10.332 13.571 616 HB2 LYS 75 HB2 LYS 75 1.716 -11.358 15.059 617 HB3 LYS 75 HB1 LYS 75 1.271 -10.079 16.181 618 HG2 LYS 75 HG2 LYS 75 -1.040 -10.853 16.229 619 HG3 LYS 75 HG1 LYS 75 -0.692 -12.077 15.012 620 HD2 LYS 75 HD2 LYS 75 0.809 -11.994 17.631 621 HD3 LYS 75 HD1 LYS 75 -0.734 -12.829 17.486 622 HE2 LYS 75 HE2 LYS 75 0.266 -14.125 15.540 623 HE3 LYS 75 HE1 LYS 75 1.825 -13.430 15.975 624 HZ1 LYS 75 HZ1 LYS 75 1.939 -14.611 17.882 625 HZ2 LYS 75 HZ2 LYS 75 1.003 -15.697 16.970 626 HZ3 LYS 75 HZ3 LYS 75 0.258 -14.669 18.098 627 H GLN 76 HN GLN 76 0.980 -7.424 13.399 628 HA GLN 76 HA GLN 76 -0.808 -6.199 15.467 629 HB2 GLN 76 HB2 GLN 76 1.593 -5.142 13.969 630 HB3 GLN 76 HB1 GLN 76 0.502 -4.094 14.879 631 HG2 GLN 76 HG2 GLN 76 1.856 -6.518 16.069 632 HG3 GLN 76 HG1 GLN 76 2.516 -4.888 16.181 633 HE21 GLN 76 HE21 GLN 76 0.982 -6.968 18.110 634 HE22 GLN 76 HE22 GLN 76 -0.054 -5.929 18.966 635 H LEU 77 HN LEU 77 -2.185 -4.509 14.849 636 HA LEU 77 HA LEU 77 -3.207 -4.805 12.086 637 HB2 LEU 77 HB2 LEU 77 -4.766 -4.855 14.031 638 HB3 LEU 77 HB1 LEU 77 -4.306 -3.196 14.408 639 HG LEU 77 HG LEU 77 -5.088 -2.504 12.131 640 HD11 LEU 77 HD11 LEU 77 -5.683 -5.444 11.950 641 HD12 LEU 77 HD12 LEU 77 -5.031 -4.356 10.726 642 HD13 LEU 77 HD13 LEU 77 -6.744 -4.306 11.121 643 HD21 LEU 77 HD21 LEU 77 -7.165 -3.944 13.809 644 HD22 LEU 77 HD22 LEU 77 -7.475 -2.634 12.669 645 HD23 LEU 77 HD23 LEU 77 -6.537 -2.327 14.129 646 H ILE 78 HN ILE 78 -2.679 -3.377 10.522 647 HA ILE 78 HA ILE 78 -1.477 -0.746 11.310 648 HB ILE 78 HB ILE 78 -1.436 -2.192 8.651 649 HG12 ILE 78 HG12 ILE 78 -0.215 -3.481 10.315 650 HG13 ILE 78 HG11 ILE 78 0.937 -2.684 9.256 651 HG21 ILE 78 HG21 ILE 78 -0.025 0.272 9.696 652 HG22 ILE 78 HG22 ILE 78 -1.125 0.162 8.320 653 HG23 ILE 78 HG23 ILE 78 0.470 -0.584 8.237 654 HD11 ILE 78 HD11 ILE 78 0.868 -0.783 11.097 655 HD12 ILE 78 HD12 ILE 78 1.856 -2.216 11.342 656 HD13 ILE 78 HD13 ILE 78 0.280 -2.091 12.120 657 H ALA 79 HN ALA 79 -3.781 -2.165 8.952 658 HA ALA 79 HA ALA 79 -5.527 0.162 9.283 659 HB1 ALA 79 HB1 ALA 79 -4.344 -0.353 6.549 660 HB2 ALA 79 HB2 ALA 79 -3.769 0.912 7.630 661 HB3 ALA 79 HB3 ALA 79 -5.422 0.958 7.018 662 H ILE 80 HN ILE 80 -7.544 -0.084 8.043 663 HA ILE 80 HA ILE 80 -8.042 -2.858 7.037 664 HB ILE 80 HB ILE 80 -9.756 -1.318 9.008 665 HG12 ILE 80 HG12 ILE 80 -8.426 -4.027 9.264 666 HG13 ILE 80 HG11 ILE 80 -7.713 -2.538 9.880 667 HG21 ILE 80 HG21 ILE 80 -11.121 -3.476 8.906 668 HG22 ILE 80 HG22 ILE 80 -10.214 -3.872 7.448 669 HG23 ILE 80 HG23 ILE 80 -11.236 -2.435 7.489 670 HD11 ILE 80 HD11 ILE 80 -10.502 -3.415 10.644 671 HD12 ILE 80 HD12 ILE 80 -9.485 -2.209 11.433 672 HD13 ILE 80 HD13 ILE 80 -9.078 -3.922 11.550 673 H GLY 81 HN GLY 81 -9.597 -2.961 5.375 674 HA2 GLY 81 HA2 GLY 81 -11.302 -0.746 4.695 675 HA3 GLY 81 HA1 GLY 81 -9.865 -0.734 3.673 676 H PHE 82 HN PHE 82 -12.211 -1.110 2.377 677 HA PHE 82 HA PHE 82 -11.971 -3.933 1.489 678 HB2 PHE 82 HB2 PHE 82 -14.384 -4.308 1.575 679 HB3 PHE 82 HB1 PHE 82 -13.820 -3.867 3.186 680 HD1 PHE 82 HD1 PHE 82 -15.685 -2.723 0.217 681 HD2 PHE 82 HD2 PHE 82 -14.376 -1.722 4.184 682 HE1 PHE 82 HE1 PHE 82 -17.282 -0.827 0.265 683 HE2 PHE 82 HE2 PHE 82 -15.972 0.177 4.230 684 HZ PHE 82 HZ PHE 82 -17.427 0.622 2.272 685 H ILE 83 HN ILE 83 -12.976 -4.253 -0.649 686 HA ILE 83 HA ILE 83 -12.937 -1.714 -2.231 687 HB ILE 83 HB ILE 83 -12.638 -4.590 -3.138 688 HG12 ILE 83 HG12 ILE 83 -10.551 -2.403 -2.966 689 HG13 ILE 83 HG11 ILE 83 -10.780 -3.610 -1.702 690 HG21 ILE 83 HG21 ILE 83 -11.835 -3.452 -5.241 691 HG22 ILE 83 HG22 ILE 83 -12.401 -1.926 -4.562 692 HG23 ILE 83 HG23 ILE 83 -13.552 -3.217 -4.910 693 HD11 ILE 83 HD11 ILE 83 -10.278 -4.337 -4.596 694 HD12 ILE 83 HD12 ILE 83 -10.215 -5.402 -3.191 695 HD13 ILE 83 HD13 ILE 83 -8.983 -4.160 -3.412 696 H ASP 84 HN ASP 84 -14.793 -0.993 -3.071 697 HA ASP 84 HA ASP 84 -17.242 -2.636 -2.801 698 HB2 ASP 84 HB2 ASP 84 -17.053 -0.205 -2.047 699 HB3 ASP 84 HB1 ASP 84 -17.011 0.225 -3.757 700 H GLU 85 HN GLU 85 -18.850 -1.829 -4.770 701 HA GLU 85 HA GLU 85 -17.978 -3.289 -7.069 702 HB2 GLU 85 HB2 GLU 85 -20.374 -2.763 -6.270 703 HB3 GLU 85 HB1 GLU 85 -20.170 -1.211 -7.080 704 HG2 GLU 85 HG2 GLU 85 -19.731 -3.873 -8.464 705 HG3 GLU 85 HG1 GLU 85 -21.262 -3.002 -8.491 706 H ASN 86 HN ASN 86 -17.898 0.165 -6.285 707 HA ASN 86 HA ASN 86 -17.094 0.904 -9.009 708 HB2 ASN 86 HB2 ASN 86 -17.264 2.441 -6.403 709 HB3 ASN 86 HB1 ASN 86 -16.684 3.163 -7.906 710 HD21 ASN 86 HD21 ASN 86 -19.087 4.091 -6.624 711 HD22 ASN 86 HD22 ASN 86 -20.404 3.709 -7.627 712 H HIS 87 HN HIS 87 -15.491 -1.054 -7.391 713 HA HIS 87 HA HIS 87 -13.265 -1.495 -6.810 714 HB2 HIS 87 HB2 HIS 87 -11.662 -0.888 -8.484 715 HB3 HIS 87 HB1 HIS 87 -13.190 -1.137 -9.324 716 HD1 HIS 87 HD1 HIS 87 -14.244 0.868 -10.490 717 HD2 HIS 87 HD2 HIS 87 -10.900 1.902 -8.227 718 HE1 HIS 87 HE1 HIS 87 -13.698 3.270 -11.077 719 H ASP 88 HN ASP 88 -14.639 1.220 -5.866 720 HA ASP 88 HA ASP 88 -12.329 2.878 -5.252 721 HB2 ASP 88 HB2 ASP 88 -15.205 2.880 -4.321 722 HB3 ASP 88 HB1 ASP 88 -14.012 4.032 -3.716 723 H MET 89 HN MET 89 -11.196 2.988 -3.317 724 HA MET 89 HA MET 89 -11.553 0.661 -1.493 725 HB2 MET 89 HB2 MET 89 -9.296 2.642 -1.873 726 HB3 MET 89 HB1 MET 89 -9.287 1.346 -0.672 727 HG2 MET 89 HG2 MET 89 -9.628 -0.305 -2.513 728 HG3 MET 89 HG1 MET 89 -9.528 1.013 -3.675 729 HE1 MET 89 HE1 MET 89 -8.122 -0.799 -0.840 730 HE2 MET 89 HE2 MET 89 -7.056 0.498 -0.312 731 HE3 MET 89 HE3 MET 89 -6.382 -0.921 -1.101 732 H ASP 90 HN ASP 90 -12.913 1.094 0.163 733 HA ASP 90 HA ASP 90 -12.919 3.816 1.394 734 HB2 ASP 90 HB2 ASP 90 -15.068 2.680 0.623 735 HB3 ASP 90 HB1 ASP 90 -14.823 1.532 1.938 736 H PHE 91 HN PHE 91 -11.529 3.987 3.091 737 HA PHE 91 HA PHE 91 -10.641 1.615 4.554 738 HB2 PHE 91 HB2 PHE 91 -10.092 4.549 5.089 739 HB3 PHE 91 HB1 PHE 91 -9.218 3.183 5.782 740 HD1 PHE 91 HD2 PHE 91 -8.102 1.524 4.138 741 HD2 PHE 91 HD1 PHE 91 -9.414 5.463 3.022 742 HE1 PHE 91 HE2 PHE 91 -6.625 1.453 2.148 743 HE2 PHE 91 HE1 PHE 91 -7.938 5.385 1.029 744 HZ PHE 91 HZ PHE 91 -6.542 3.383 0.593 745 H LEU 92 HN LEU 92 -11.213 1.039 6.624 746 HA LEU 92 HA LEU 92 -13.497 2.519 7.878 747 HB2 LEU 92 HB2 LEU 92 -12.539 -0.346 8.174 748 HB3 LEU 92 HB1 LEU 92 -13.878 0.352 9.079 749 HG LEU 92 HG LEU 92 -13.741 0.191 6.052 750 HD11 LEU 92 HD11 LEU 92 -13.989 -2.043 6.782 751 HD12 LEU 92 HD12 LEU 92 -15.643 -1.510 6.484 752 HD13 LEU 92 HD13 LEU 92 -15.025 -1.583 8.135 753 HD21 LEU 92 HD21 LEU 92 -16.328 0.578 6.510 754 HD22 LEU 92 HD22 LEU 92 -15.227 1.948 6.477 755 HD23 LEU 92 HD23 LEU 92 -15.750 1.276 8.022 756 H TYR 93 HN TYR 93 -10.222 1.395 8.284 757 HA TYR 93 HA TYR 93 -9.945 3.075 10.673 758 HB2 TYR 93 HB2 TYR 93 -10.763 0.907 11.599 759 HB3 TYR 93 HB1 TYR 93 -9.388 0.095 10.847 760 HD1 TYR 93 HD2 TYR 93 -10.280 2.824 13.236 761 HD2 TYR 93 HD1 TYR 93 -7.287 0.029 11.940 762 HE1 TYR 93 HE2 TYR 93 -8.874 3.427 15.187 763 HE2 TYR 93 HE1 TYR 93 -5.882 0.629 13.894 764 HH TYR 93 HH TYR 93 -5.599 2.159 15.554 765 H LEU 94 HN LEU 94 -8.071 4.138 10.249 766 HA LEU 94 HA LEU 94 -5.877 2.656 8.829 767 HB2 LEU 94 HB2 LEU 94 -6.765 4.445 7.438 768 HB3 LEU 94 HB1 LEU 94 -6.613 5.594 8.765 769 HG LEU 94 HG LEU 94 -4.186 5.410 8.724 770 HD11 LEU 94 HD11 LEU 94 -3.213 4.021 6.735 771 HD12 LEU 94 HD12 LEU 94 -4.755 3.170 6.788 772 HD13 LEU 94 HD13 LEU 94 -3.698 3.173 8.200 773 HD21 LEU 94 HD21 LEU 94 -5.058 5.618 5.837 774 HD22 LEU 94 HD22 LEU 94 -3.775 6.506 6.658 775 HD23 LEU 94 HD23 LEU 94 -5.462 6.861 7.023 776 H HIS 95 HN HIS 95 -4.048 2.390 9.988 777 HA HIS 95 HA HIS 95 -3.379 4.377 12.107 778 HB2 HIS 95 HB2 HIS 95 -4.545 2.375 13.107 779 HB3 HIS 95 HB1 HIS 95 -3.203 1.386 12.532 780 HD1 HIS 95 HD1 HIS 95 -0.730 2.614 13.275 781 HD2 HIS 95 HD2 HIS 95 -4.079 3.200 15.688 782 HE1 HIS 95 HE1 HIS 95 0.141 3.324 15.545 783 H ASN 96 HN ASN 96 -1.338 5.060 11.813 784 HA ASN 96 HA ASN 96 0.468 3.518 10.038 785 HB2 ASN 96 HB2 ASN 96 0.077 6.027 9.822 786 HB3 ASN 96 HB1 ASN 96 0.965 6.211 11.334 787 HD21 ASN 96 HD21 ASN 96 1.406 4.428 8.213 788 HD22 ASN 96 HD22 ASN 96 3.054 4.810 8.067 789 H THR 97 HN THR 97 2.898 3.666 10.808 790 HA THR 97 HA THR 97 3.145 2.127 13.226 791 HB THR 97 HB THR 97 5.590 2.464 12.890 792 HG1 THR 97 HG1 THR 97 6.165 4.187 11.868 793 HG21 THR 97 HG21 THR 97 3.870 1.786 10.500 794 HG22 THR 97 HG22 THR 97 4.637 0.676 11.635 795 HG23 THR 97 HG23 THR 97 5.621 1.584 10.487 796 H VAL 98 HN VAL 98 3.454 5.560 12.495 797 HA VAL 98 HA VAL 98 4.344 6.143 15.271 798 HB VAL 98 HB VAL 98 3.937 7.899 12.836 799 HG11 VAL 98 HG11 VAL 98 5.215 9.575 14.297 800 HG12 VAL 98 HG12 VAL 98 4.801 8.539 15.665 801 HG13 VAL 98 HG13 VAL 98 3.523 9.302 14.716 802 HG21 VAL 98 HG21 VAL 98 6.318 7.945 12.700 803 HG22 VAL 98 HG22 VAL 98 5.886 6.249 12.922 804 HG23 VAL 98 HG23 VAL 98 6.496 7.192 14.284 805 H MET 99 HN MET 99 2.082 7.998 13.242 806 HA MET 99 HA MET 99 0.042 7.711 15.414 807 HB2 MET 99 HB2 MET 99 -0.558 10.079 15.074 808 HB3 MET 99 HB1 MET 99 1.117 9.910 15.585 809 HG2 MET 99 HG2 MET 99 1.300 11.419 13.807 810 HG3 MET 99 HG1 MET 99 1.614 9.883 13.000 811 HE1 MET 99 HE1 MET 99 -0.711 12.645 10.992 812 HE2 MET 99 HE2 MET 99 0.964 12.162 11.245 813 HE3 MET 99 HE3 MET 99 0.111 13.049 12.506 814 HA PRO 100 HA PRO 100 -2.691 6.596 12.089 815 HB2 PRO 100 HB2 PRO 100 -5.112 7.279 13.192 816 HB3 PRO 100 HB1 PRO 100 -4.186 5.857 13.700 817 HG2 PRO 100 HG2 PRO 100 -4.366 8.553 14.973 818 HG3 PRO 100 HG1 PRO 100 -4.382 6.944 15.727 819 HD2 PRO 100 HD2 PRO 100 -2.147 8.490 15.683 820 HD3 PRO 100 HD1 PRO 100 -2.069 6.716 15.612 821 H LEU 101 HN LEU 101 -3.828 7.524 10.334 822 HA LEU 101 HA LEU 101 -3.713 10.506 10.188 823 HB2 LEU 101 HB2 LEU 101 -4.009 8.412 8.015 824 HB3 LEU 101 HB1 LEU 101 -3.846 10.146 7.748 825 HG LEU 101 HG LEU 101 -1.787 8.423 9.166 826 HD11 LEU 101 HD11 LEU 101 -1.806 7.752 6.868 827 HD12 LEU 101 HD12 LEU 101 -0.461 8.879 7.036 828 HD13 LEU 101 HD13 LEU 101 -1.976 9.417 6.312 829 HD21 LEU 101 HD21 LEU 101 -1.944 11.342 8.403 830 HD22 LEU 101 HD22 LEU 101 -0.377 10.544 8.533 831 HD23 LEU 101 HD23 LEU 101 -1.439 10.623 9.930 832 H LEU 102 HN LEU 102 -5.835 8.074 8.640 833 HA LEU 102 HA LEU 102 -8.071 9.975 8.833 834 HB2 LEU 102 HB2 LEU 102 -7.689 8.636 6.784 835 HB3 LEU 102 HB1 LEU 102 -7.979 7.166 7.698 836 HG LEU 102 HG LEU 102 -10.272 8.034 8.271 837 HD11 LEU 102 HD11 LEU 102 -11.006 9.895 6.550 838 HD12 LEU 102 HD12 LEU 102 -9.294 10.310 6.564 839 HD13 LEU 102 HD13 LEU 102 -10.226 10.354 8.060 840 HD21 LEU 102 HD21 LEU 102 -10.047 6.456 6.453 841 HD22 LEU 102 HD22 LEU 102 -9.535 7.730 5.347 842 HD23 LEU 102 HD23 LEU 102 -11.191 7.701 5.953 843 H ASP 103 HN ASP 103 -8.653 6.554 9.190 844 HA ASP 103 HA ASP 103 -10.105 5.478 10.677 845 HB2 ASP 103 HB2 ASP 103 -9.165 5.680 13.104 846 HB3 ASP 103 HB1 ASP 103 -8.160 4.939 11.860 847 H GLN 104 HN GLN 104 -12.099 6.508 10.564 848 HA GLN 104 HA GLN 104 -12.547 8.895 12.296 849 HB2 GLN 104 HB2 GLN 104 -14.156 7.631 10.065 850 HB3 GLN 104 HB1 GLN 104 -14.797 8.914 11.097 851 HG2 GLN 104 HG2 GLN 104 -12.970 10.401 10.442 852 HG3 GLN 104 HG1 GLN 104 -12.238 9.115 9.479 853 HE21 GLN 104 HE21 GLN 104 -13.709 11.872 8.865 854 HE22 GLN 104 HE22 GLN 104 -14.725 11.453 7.571 855 H ARG 105 HN ARG 105 -13.232 8.478 14.299 856 HA ARG 105 HA ARG 105 -14.212 5.951 15.220 857 HB2 ARG 105 HB2 ARG 105 -14.369 8.747 16.368 858 HB3 ARG 105 HB1 ARG 105 -14.930 7.321 17.239 859 HG2 ARG 105 HG2 ARG 105 -12.671 6.333 17.080 860 HG3 ARG 105 HG1 ARG 105 -12.111 7.757 16.200 861 HD2 ARG 105 HD2 ARG 105 -12.658 9.183 18.135 862 HD3 ARG 105 HD1 ARG 105 -13.247 7.774 19.012 863 HE ARG 105 HE ARG 105 -10.997 7.061 19.339 864 HH11 ARG 105 HH21 ARG 105 -11.264 9.772 17.217 865 HH12 ARG 105 HH22 ARG 105 -9.571 10.128 17.253 866 HH21 ARG 105 HH11 ARG 105 -8.793 7.515 19.390 867 HH22 ARG 105 HH12 ARG 105 -8.172 8.851 18.481 868 H TYR 106 HN TYR 106 -15.819 8.888 14.102 869 HA TYR 106 HA TYR 106 -18.479 8.235 14.889 870 HB2 TYR 106 HB2 TYR 106 -17.586 9.751 12.418 871 HB3 TYR 106 HB1 TYR 106 -19.166 9.856 13.196 872 HD1 TYR 106 HD2 TYR 106 -19.365 10.832 15.494 873 HD2 TYR 106 HD1 TYR 106 -15.684 10.915 13.283 874 HE1 TYR 106 HE2 TYR 106 -18.486 12.579 17.020 875 HE2 TYR 106 HE1 TYR 106 -14.803 12.659 14.808 876 HH TYR 106 HH TYR 106 -16.816 14.313 17.060 877 H LEU 107 HN LEU 107 -16.619 7.443 11.970 878 HA LEU 107 HA LEU 107 -18.752 6.187 10.545 879 HB2 LEU 107 HB2 LEU 107 -16.617 6.805 9.474 880 HB3 LEU 107 HB1 LEU 107 -15.775 5.606 10.454 881 HG LEU 107 HG LEU 107 -17.106 3.805 9.415 882 HD11 LEU 107 HD11 LEU 107 -19.180 4.692 8.821 883 HD12 LEU 107 HD12 LEU 107 -18.388 4.609 7.252 884 HD13 LEU 107 HD13 LEU 107 -18.477 6.146 8.112 885 HD21 LEU 107 HD21 LEU 107 -15.748 5.691 7.465 886 HD22 LEU 107 HD22 LEU 107 -16.167 4.016 7.100 887 HD23 LEU 107 HD23 LEU 107 -14.990 4.375 8.363 888 H LEU 108 HN LEU 108 -16.367 4.911 12.856 889 HA LEU 108 HA LEU 108 -17.460 2.193 12.646 890 HB2 LEU 108 HB2 LEU 108 -15.488 3.374 14.623 891 HB3 LEU 108 HB1 LEU 108 -15.810 1.657 14.383 892 HG LEU 108 HG LEU 108 -14.743 3.546 12.263 893 HD11 LEU 108 HD11 LEU 108 -12.634 2.266 12.537 894 HD12 LEU 108 HD12 LEU 108 -13.359 1.383 13.881 895 HD13 LEU 108 HD13 LEU 108 -13.081 3.119 14.014 896 HD21 LEU 108 HD21 LEU 108 -15.538 0.640 12.268 897 HD22 LEU 108 HD22 LEU 108 -14.224 1.172 11.223 898 HD23 LEU 108 HD23 LEU 108 -15.827 1.874 11.041 899 H THR 109 HN THR 109 -18.410 4.995 14.221 900 HA THR 109 HA THR 109 -19.799 3.465 16.403 901 HB THR 109 HB THR 109 -19.225 6.437 16.203 902 HG1 THR 109 HG1 THR 109 -17.967 4.282 17.495 903 HG21 THR 109 HG21 THR 109 -19.883 6.271 18.679 904 HG22 THR 109 HG22 THR 109 -20.570 4.698 18.272 905 HG23 THR 109 HG23 THR 109 -21.190 6.159 17.501 906 H GLY 110 HN GLY 110 -20.192 4.997 13.422 907 HA2 GLY 110 HA2 GLY 110 -22.556 6.394 13.425 908 HA3 GLY 110 HA1 GLY 110 -22.157 5.254 12.141 909 H GLY 111 HN GLY 111 -24.131 5.813 14.939 910 HA2 GLY 111 HA2 GLY 111 -26.171 4.071 14.278 911 HA3 GLY 111 HA1 GLY 111 -25.052 3.065 15.197 912 H GLN 112 HN GLN 112 -27.418 3.275 16.340 913 HA GLN 112 HA GLN 112 -28.666 4.106 18.144 914 HB2 GLN 112 HB2 GLN 112 -25.818 4.279 19.163 915 HB3 GLN 112 HB1 GLN 112 -27.240 4.475 20.192 916 HG2 GLN 112 HG2 GLN 112 -28.040 2.244 19.546 917 HG3 GLN 112 HG1 GLN 112 -26.650 2.043 18.480 918 HE21 GLN 112 HE21 GLN 112 -26.586 0.069 20.202 919 HE22 GLN 112 HE22 GLN 112 -25.577 0.348 21.539 920 H LEU 113 HN LEU 113 -29.106 6.036 16.641 921 HA LEU 113 HA LEU 113 -27.835 8.559 17.567 922 HB2 LEU 113 HB2 LEU 113 -29.552 9.456 15.741 923 HB3 LEU 113 HB1 LEU 113 -28.048 8.685 15.254 924 HG LEU 113 HG LEU 113 -29.192 6.553 14.922 925 HD11 LEU 113 HD11 LEU 113 -31.559 8.085 16.015 926 HD12 LEU 113 HD12 LEU 113 -30.895 6.555 16.585 927 HD13 LEU 113 HD13 LEU 113 -31.759 6.621 15.053 928 HD21 LEU 113 HD21 LEU 113 -30.866 8.716 13.629 929 HD22 LEU 113 HD22 LEU 113 -30.426 7.144 12.962 930 HD23 LEU 113 HD23 LEU 113 -29.200 8.399 13.146 931 H GLU 114 HN GLU 114 -30.219 6.598 18.624 932 HA GLU 114 HA GLU 114 -32.526 8.124 19.007 933 HB2 GLU 114 HB2 GLU 114 -31.196 6.151 20.877 934 HB3 GLU 114 HB1 GLU 114 -32.808 6.814 21.150 935 HG2 GLU 114 HG2 GLU 114 -33.577 5.917 19.008 936 HG3 GLU 114 HG1 GLU 114 -31.955 5.322 18.652 937 H HIS 115 HN HIS 115 -33.251 9.510 20.675 938 HA HIS 115 HA HIS 115 -33.075 11.296 22.164 939 HB2 HIS 115 HB2 HIS 115 -32.195 9.436 23.632 940 HB3 HIS 115 HB1 HIS 115 -30.566 9.914 23.154 941 HD1 HIS 115 HD1 HIS 115 -29.642 12.138 24.078 942 HD2 HIS 115 HD2 HIS 115 -33.543 11.330 25.306 943 HE1 HIS 115 HE1 HIS 115 -30.169 13.791 25.923 944 H HIS 116 HN HIS 116 -32.040 13.322 22.349 945 HA HIS 116 HA HIS 116 -29.538 13.689 20.742 946 HB2 HIS 116 HB2 HIS 116 -32.041 15.405 20.655 947 HB3 HIS 116 HB1 HIS 116 -30.515 15.799 19.859 948 HD1 HIS 116 HD1 HIS 116 -29.674 13.981 18.037 949 HD2 HIS 116 HD2 HIS 116 -33.669 13.684 19.188 950 HE1 HIS 116 HE1 HIS 116 -30.818 12.547 16.290 951 H HIS 117 HN HIS 117 -28.130 15.217 21.551 952 HA HIS 117 HA HIS 117 -28.236 15.823 24.345 953 HB2 HIS 117 HB2 HIS 117 -26.140 15.675 23.045 954 HB3 HIS 117 HB1 HIS 117 -26.605 17.114 22.137 955 HD1 HIS 117 HD1 HIS 117 -26.599 19.390 23.402 956 HD2 HIS 117 HD2 HIS 117 -25.192 16.186 25.668 957 HE1 HIS 117 HE1 HIS 117 -25.492 20.392 25.447 958 H HIS 118 HN HIS 118 -28.770 17.879 21.471 959 HA HIS 118 HA HIS 118 -30.821 19.418 22.749 960 HB2 HIS 118 HB2 HIS 118 -28.961 20.363 24.053 961 HB3 HIS 118 HB1 HIS 118 -28.094 20.749 22.566 962 HD1 HIS 118 HD1 HIS 118 -28.611 22.966 21.509 963 HD2 HIS 118 HD2 HIS 118 -31.538 21.836 24.255 964 HE1 HIS 118 HE1 HIS 118 -30.195 24.931 21.719 965 H HIS 119 HN HIS 119 -31.764 20.919 21.257 966 HA HIS 119 HA HIS 119 -30.789 20.584 18.446 967 HB2 HIS 119 HB2 HIS 119 -33.504 21.342 19.563 968 HB3 HIS 119 HB1 HIS 119 -33.115 21.263 17.843 969 HD1 HIS 119 HD1 HIS 119 -32.154 18.823 17.033 970 HD2 HIS 119 HD2 HIS 119 -34.251 18.891 20.637 971 HE1 HIS 119 HE1 HIS 119 -32.816 16.427 17.522 972 H HIS 120 HN HIS 120 -29.940 22.317 17.434 973 HA HIS 120 HA HIS 120 -29.674 24.866 18.782 974 HB2 HIS 120 HB2 HIS 120 -29.036 23.950 15.967 975 HB3 HIS 120 HB1 HIS 120 -28.613 25.543 16.598 976 HD1 HIS 120 HD1 HIS 120 -27.710 21.913 16.850 977 HD2 HIS 120 HD2 HIS 120 -26.549 25.522 18.587 978 HE1 HIS 120 HE1 HIS 120 -25.570 21.441 18.123 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -7.300 -8.509 20.796 2 H2 MET 1 HT2 MET 1 -8.858 -9.022 21.240 3 H3 MET 1 HT3 MET 1 -8.638 -7.513 20.490 4 HA MET 1 HA MET 1 -7.909 -8.589 18.460 5 HB2 MET 1 HB2 MET 1 -8.535 -11.114 20.030 6 HB3 MET 1 HB1 MET 1 -8.164 -11.064 18.308 7 HG2 MET 1 HG2 MET 1 -6.316 -10.086 20.504 8 HG3 MET 1 HG1 MET 1 -6.165 -11.637 19.685 9 HE1 MET 1 HE1 MET 1 -6.823 -10.709 16.411 10 HE2 MET 1 HE2 MET 1 -6.111 -11.988 17.390 11 HE3 MET 1 HE3 MET 1 -5.101 -11.084 16.267 12 H THR 2 HN THR 2 -10.159 -7.309 19.668 13 HA THR 2 HA THR 2 -12.506 -8.838 18.600 14 HB THR 2 HB THR 2 -13.860 -7.203 19.870 15 HG1 THR 2 HG1 THR 2 -12.952 -5.402 20.373 16 HG21 THR 2 HG21 THR 2 -12.896 -9.310 20.911 17 HG22 THR 2 HG22 THR 2 -13.357 -8.044 22.050 18 HG23 THR 2 HG23 THR 2 -11.659 -8.282 21.635 19 H LEU 3 HN LEU 3 -10.301 -6.609 17.593 20 HA LEU 3 HA LEU 3 -11.859 -4.574 16.311 21 HB2 LEU 3 HB2 LEU 3 -9.152 -5.770 15.615 22 HB3 LEU 3 HB1 LEU 3 -9.815 -4.337 14.838 23 HG LEU 3 HG LEU 3 -9.427 -4.581 17.834 24 HD11 LEU 3 HD11 LEU 3 -7.652 -3.162 15.828 25 HD12 LEU 3 HD12 LEU 3 -7.263 -4.711 16.577 26 HD13 LEU 3 HD13 LEU 3 -7.402 -3.259 17.570 27 HD21 LEU 3 HD21 LEU 3 -10.281 -2.384 15.948 28 HD22 LEU 3 HD22 LEU 3 -9.446 -1.965 17.440 29 HD23 LEU 3 HD23 LEU 3 -10.966 -2.845 17.505 30 H GLU 4 HN GLU 4 -10.744 -7.746 15.233 31 HA GLU 4 HA GLU 4 -11.648 -7.543 12.520 32 HB2 GLU 4 HB2 GLU 4 -11.248 -9.985 14.295 33 HB3 GLU 4 HB1 GLU 4 -11.511 -10.047 12.553 34 HG2 GLU 4 HG2 GLU 4 -9.176 -10.110 12.680 35 HG3 GLU 4 HG1 GLU 4 -9.474 -8.393 12.441 36 H LEU 5 HN LEU 5 -13.190 -8.676 15.488 37 HA LEU 5 HA LEU 5 -15.573 -9.724 14.286 38 HB2 LEU 5 HB2 LEU 5 -14.873 -8.705 17.048 39 HB3 LEU 5 HB1 LEU 5 -16.532 -9.163 16.664 40 HG LEU 5 HG LEU 5 -15.739 -11.397 15.941 41 HD11 LEU 5 HD11 LEU 5 -13.507 -10.999 15.226 42 HD12 LEU 5 HD12 LEU 5 -13.347 -11.978 16.684 43 HD13 LEU 5 HD13 LEU 5 -13.068 -10.239 16.756 44 HD21 LEU 5 HD21 LEU 5 -14.649 -10.806 18.701 45 HD22 LEU 5 HD22 LEU 5 -15.436 -12.277 18.133 46 HD23 LEU 5 HD23 LEU 5 -16.380 -10.806 18.363 47 H GLN 6 HN GLN 6 -14.710 -6.509 15.491 48 HA GLN 6 HA GLN 6 -17.288 -5.301 15.154 49 HB2 GLN 6 HB2 GLN 6 -14.485 -4.133 15.181 50 HB3 GLN 6 HB1 GLN 6 -15.946 -3.146 15.125 51 HG2 GLN 6 HG2 GLN 6 -16.727 -4.151 17.230 52 HG3 GLN 6 HG1 GLN 6 -15.288 -5.169 17.287 53 HE21 GLN 6 HE21 GLN 6 -14.093 -4.294 19.013 54 HE22 GLN 6 HE22 GLN 6 -13.661 -2.658 19.144 55 H LEU 7 HN LEU 7 -14.527 -5.735 12.991 56 HA LEU 7 HA LEU 7 -15.432 -4.048 10.879 57 HB2 LEU 7 HB2 LEU 7 -13.129 -4.956 10.979 58 HB3 LEU 7 HB1 LEU 7 -13.755 -6.584 10.718 59 HG LEU 7 HG LEU 7 -14.681 -5.850 8.521 60 HD11 LEU 7 HD11 LEU 7 -13.547 -3.219 9.453 61 HD12 LEU 7 HD12 LEU 7 -15.092 -3.555 8.670 62 HD13 LEU 7 HD13 LEU 7 -13.610 -3.574 7.726 63 HD21 LEU 7 HD21 LEU 7 -12.563 -6.875 8.344 64 HD22 LEU 7 HD22 LEU 7 -11.739 -5.502 9.084 65 HD23 LEU 7 HD23 LEU 7 -12.382 -5.367 7.448 66 H LYS 8 HN LYS 8 -15.956 -7.498 11.530 67 HA LYS 8 HA LYS 8 -17.444 -8.081 9.152 68 HB2 LYS 8 HB2 LYS 8 -17.482 -9.360 11.908 69 HB3 LYS 8 HB1 LYS 8 -18.333 -10.023 10.512 70 HG2 LYS 8 HG2 LYS 8 -16.205 -10.175 9.277 71 HG3 LYS 8 HG1 LYS 8 -15.348 -9.507 10.665 72 HD2 LYS 8 HD2 LYS 8 -16.027 -11.425 12.037 73 HD3 LYS 8 HD1 LYS 8 -16.945 -12.086 10.684 74 HE2 LYS 8 HE2 LYS 8 -14.770 -13.198 10.815 75 HE3 LYS 8 HE1 LYS 8 -14.841 -12.212 9.355 76 HZ1 LYS 8 HZ1 LYS 8 -13.555 -11.463 11.925 77 HZ2 LYS 8 HZ2 LYS 8 -13.689 -10.443 10.573 78 HZ3 LYS 8 HZ3 LYS 8 -12.759 -11.863 10.482 79 H HIS 9 HN HIS 9 -18.406 -6.942 12.361 80 HA HIS 9 HA HIS 9 -21.249 -7.057 11.934 81 HB2 HIS 9 HB2 HIS 9 -20.181 -6.849 14.178 82 HB3 HIS 9 HB1 HIS 9 -19.650 -5.221 13.758 83 HD1 HIS 9 HD1 HIS 9 -22.727 -7.213 14.598 84 HD2 HIS 9 HD2 HIS 9 -21.706 -3.257 13.770 85 HE1 HIS 9 HE1 HIS 9 -24.756 -5.812 15.179 86 H TYR 10 HN TYR 10 -18.867 -4.432 11.595 87 HA TYR 10 HA TYR 10 -20.707 -2.401 10.778 88 HB2 TYR 10 HB2 TYR 10 -18.439 -1.833 11.496 89 HB3 TYR 10 HB1 TYR 10 -17.752 -2.736 10.145 90 HD1 TYR 10 HD1 TYR 10 -18.071 -1.943 7.809 91 HD2 TYR 10 HD2 TYR 10 -19.403 0.358 11.183 92 HE1 TYR 10 HE1 TYR 10 -18.306 0.052 6.354 93 HE2 TYR 10 HE2 TYR 10 -19.636 2.354 9.729 94 HH TYR 10 HH TYR 10 -19.010 2.158 6.228 95 H ILE 11 HN ILE 11 -18.708 -4.654 8.874 96 HA ILE 11 HA ILE 11 -19.506 -3.669 6.318 97 HB ILE 11 HB ILE 11 -18.537 -6.419 7.194 98 HG12 ILE 11 HG12 ILE 11 -17.071 -4.224 7.312 99 HG13 ILE 11 HG11 ILE 11 -16.379 -5.690 6.625 100 HG21 ILE 11 HG21 ILE 11 -19.652 -6.850 5.150 101 HG22 ILE 11 HG22 ILE 11 -17.975 -6.591 4.667 102 HG23 ILE 11 HG23 ILE 11 -19.161 -5.304 4.458 103 HD11 ILE 11 HD11 ILE 11 -17.794 -3.721 4.832 104 HD12 ILE 11 HD12 ILE 11 -16.558 -4.902 4.424 105 HD13 ILE 11 HD13 ILE 11 -16.123 -3.445 5.312 106 H THR 12 HN THR 12 -20.832 -6.264 8.346 107 HA THR 12 HA THR 12 -22.815 -7.182 6.500 108 HB THR 12 HB THR 12 -23.980 -8.003 8.623 109 HG1 THR 12 HG1 THR 12 -21.921 -7.675 10.241 110 HG21 THR 12 HG21 THR 12 -22.524 -9.528 7.547 111 HG22 THR 12 HG22 THR 12 -21.994 -9.511 9.230 112 HG23 THR 12 HG23 THR 12 -21.090 -8.613 8.010 113 H ASN 13 HN ASN 13 -22.999 -4.763 9.108 114 HA ASN 13 HA ASN 13 -25.782 -4.147 8.731 115 HB2 ASN 13 HB2 ASN 13 -23.495 -2.600 9.983 116 HB3 ASN 13 HB1 ASN 13 -25.158 -2.016 9.982 117 HD21 ASN 13 HD21 ASN 13 -23.767 -2.672 12.418 118 HD22 ASN 13 HD22 ASN 13 -24.537 -4.014 13.116 119 H LEU 14 HN LEU 14 -22.811 -2.890 7.320 120 HA LEU 14 HA LEU 14 -23.870 -0.560 6.123 121 HB2 LEU 14 HB2 LEU 14 -21.380 -1.592 6.260 122 HB3 LEU 14 HB1 LEU 14 -21.776 -2.163 4.645 123 HG LEU 14 HG LEU 14 -20.712 0.002 4.428 124 HD11 LEU 14 HD11 LEU 14 -22.326 1.105 3.094 125 HD12 LEU 14 HD12 LEU 14 -23.659 0.583 4.116 126 HD13 LEU 14 HD13 LEU 14 -22.844 -0.579 3.069 127 HD21 LEU 14 HD21 LEU 14 -22.830 1.502 5.909 128 HD22 LEU 14 HD22 LEU 14 -21.098 1.793 5.815 129 HD23 LEU 14 HD23 LEU 14 -21.719 0.575 6.919 130 H PHE 15 HN PHE 15 -23.537 -3.840 4.789 131 HA PHE 15 HA PHE 15 -25.340 -3.044 2.519 132 HB2 PHE 15 HB2 PHE 15 -23.297 -5.246 2.855 133 HB3 PHE 15 HB1 PHE 15 -24.470 -5.242 1.536 134 HD1 PHE 15 HD1 PHE 15 -24.537 -3.289 -0.051 135 HD2 PHE 15 HD2 PHE 15 -21.376 -3.835 2.806 136 HE1 PHE 15 HE1 PHE 15 -23.113 -1.707 -1.323 137 HE2 PHE 15 HE2 PHE 15 -19.952 -2.251 1.533 138 HZ PHE 15 HZ PHE 15 -20.822 -1.186 -0.531 139 H ASN 16 HN ASN 16 -25.570 -4.365 5.503 140 HA ASN 16 HA ASN 16 -27.136 -5.739 6.569 141 HB2 ASN 16 HB2 ASN 16 -28.639 -4.993 4.054 142 HB3 ASN 16 HB1 ASN 16 -29.364 -5.928 5.358 143 HD21 ASN 16 HD21 ASN 16 -30.073 -3.152 4.494 144 HD22 ASN 16 HD22 ASN 16 -29.850 -2.172 5.861 145 H LEU 17 HN LEU 17 -25.085 -7.026 5.116 146 HA LEU 17 HA LEU 17 -26.303 -9.234 3.650 147 HB2 LEU 17 HB2 LEU 17 -23.432 -8.795 4.505 148 HB3 LEU 17 HB1 LEU 17 -23.981 -10.047 3.394 149 HG LEU 17 HG LEU 17 -24.619 -7.146 2.861 150 HD11 LEU 17 HD11 LEU 17 -22.575 -7.012 1.477 151 HD12 LEU 17 HD12 LEU 17 -22.098 -8.616 2.037 152 HD13 LEU 17 HD13 LEU 17 -22.178 -7.273 3.176 153 HD21 LEU 17 HD21 LEU 17 -24.331 -9.637 1.156 154 HD22 LEU 17 HD22 LEU 17 -24.519 -8.022 0.484 155 HD23 LEU 17 HD23 LEU 17 -25.802 -8.718 1.466 156 HA PRO 18 HA PRO 18 -27.064 -12.144 6.912 157 HB2 PRO 18 HB2 PRO 18 -25.187 -13.901 5.347 158 HB3 PRO 18 HB1 PRO 18 -26.774 -14.296 6.041 159 HG2 PRO 18 HG2 PRO 18 -26.469 -13.774 3.432 160 HG3 PRO 18 HG1 PRO 18 -27.923 -13.287 4.321 161 HD2 PRO 18 HD2 PRO 18 -25.743 -11.586 3.257 162 HD3 PRO 18 HD1 PRO 18 -27.410 -11.156 3.696 163 H ARG 19 HN ARG 19 -26.140 -12.146 8.868 164 HA ARG 19 HA ARG 19 -23.226 -11.703 9.162 165 HB2 ARG 19 HB2 ARG 19 -24.868 -10.367 10.492 166 HB3 ARG 19 HB1 ARG 19 -25.412 -11.854 11.270 167 HG2 ARG 19 HG2 ARG 19 -23.227 -12.231 12.229 168 HG3 ARG 19 HG1 ARG 19 -22.541 -10.889 11.314 169 HD2 ARG 19 HD2 ARG 19 -24.745 -10.593 13.380 170 HD3 ARG 19 HD1 ARG 19 -23.034 -10.303 13.701 171 HE ARG 19 HE ARG 19 -23.574 -8.698 11.503 172 HH11 ARG 19 HH21 ARG 19 -24.934 -9.137 14.665 173 HH12 ARG 19 HH22 ARG 19 -25.450 -7.489 14.800 174 HH21 ARG 19 HH11 ARG 19 -24.249 -6.561 11.687 175 HH22 ARG 19 HH12 ARG 19 -25.063 -6.039 13.124 176 H ASP 20 HN ASP 20 -25.497 -14.272 9.273 177 HA ASP 20 HA ASP 20 -23.901 -15.979 11.073 178 HB2 ASP 20 HB2 ASP 20 -26.435 -16.022 10.943 179 HB3 ASP 20 HB1 ASP 20 -26.273 -16.758 9.347 180 H GLU 21 HN GLU 21 -23.237 -14.955 8.117 181 HA GLU 21 HA GLU 21 -22.486 -17.622 6.976 182 HB2 GLU 21 HB2 GLU 21 -22.588 -14.853 5.741 183 HB3 GLU 21 HB1 GLU 21 -21.938 -16.267 4.916 184 HG2 GLU 21 HG2 GLU 21 -24.756 -16.073 6.022 185 HG3 GLU 21 HG1 GLU 21 -24.324 -15.829 4.328 186 H LYS 22 HN LYS 22 -20.530 -18.304 7.422 187 HA LYS 22 HA LYS 22 -18.448 -16.485 8.371 188 HB2 LYS 22 HB2 LYS 22 -18.676 -18.688 9.425 189 HB3 LYS 22 HB1 LYS 22 -18.401 -19.481 7.876 190 HG2 LYS 22 HG2 LYS 22 -16.328 -19.480 9.181 191 HG3 LYS 22 HG1 LYS 22 -16.128 -18.436 7.783 192 HD2 LYS 22 HD2 LYS 22 -16.311 -16.461 9.070 193 HD3 LYS 22 HD1 LYS 22 -17.052 -17.310 10.430 194 HE2 LYS 22 HE2 LYS 22 -14.927 -18.476 10.849 195 HE3 LYS 22 HE1 LYS 22 -14.196 -17.654 9.472 196 HZ1 LYS 22 HZ1 LYS 22 -14.305 -15.605 10.538 197 HZ2 LYS 22 HZ2 LYS 22 -13.834 -16.667 11.778 198 HZ3 LYS 22 HZ3 LYS 22 -15.445 -16.135 11.677 199 H TRP 23 HN TRP 23 -16.576 -15.976 7.299 200 HA TRP 23 HA TRP 23 -16.572 -16.490 4.354 201 HB2 TRP 23 HB2 TRP 23 -14.911 -14.461 5.863 202 HB3 TRP 23 HB1 TRP 23 -15.264 -14.504 4.138 203 HD1 TRP 23 HD1 TRP 23 -18.467 -15.238 4.829 204 HE1 TRP 23 HE1 TRP 23 -19.980 -13.239 5.419 205 HE3 TRP 23 HE3 TRP 23 -14.921 -11.793 6.119 206 HZ2 TRP 23 HZ2 TRP 23 -19.726 -10.539 6.319 207 HZ3 TRP 23 HZ3 TRP 23 -15.587 -9.516 6.839 208 HH2 TRP 23 HH2 TRP 23 -17.983 -8.886 6.940 209 H GLU 24 HN GLU 24 -14.257 -16.454 3.451 210 HA GLU 24 HA GLU 24 -12.613 -18.411 5.030 211 HB2 GLU 24 HB2 GLU 24 -12.847 -17.922 2.046 212 HB3 GLU 24 HB1 GLU 24 -11.658 -19.000 2.778 213 HG2 GLU 24 HG2 GLU 24 -13.452 -20.333 3.789 214 HG3 GLU 24 HG1 GLU 24 -14.662 -19.243 3.114 215 H CYS 25 HN CYS 25 -10.794 -17.671 5.816 216 HA CYS 25 HA CYS 25 -9.773 -15.027 5.099 217 HB2 CYS 25 HB2 CYS 25 -9.828 -16.106 7.447 218 HB3 CYS 25 HB1 CYS 25 -8.408 -17.011 6.924 219 HG CYS 25 HG CYS 25 -8.497 -13.886 7.084 220 H GLU 26 HN GLU 26 -8.116 -14.588 3.814 221 HA GLU 26 HA GLU 26 -6.387 -16.838 2.825 222 HB2 GLU 26 HB2 GLU 26 -8.099 -15.925 1.152 223 HB3 GLU 26 HB1 GLU 26 -7.180 -14.420 1.187 224 HG2 GLU 26 HG2 GLU 26 -6.309 -15.704 -0.645 225 HG3 GLU 26 HG1 GLU 26 -5.119 -15.803 0.650 226 H SER 27 HN SER 27 -4.375 -16.528 3.436 227 HA SER 27 HA SER 27 -3.441 -13.796 4.187 228 HB2 SER 27 HB2 SER 27 -3.218 -15.785 5.762 229 HB3 SER 27 HB1 SER 27 -2.019 -16.430 4.644 230 HG SER 27 HG SER 27 -1.472 -14.857 6.533 231 H ILE 28 HN ILE 28 -2.194 -12.714 2.866 232 HA ILE 28 HA ILE 28 -0.213 -14.063 1.147 233 HB ILE 28 HB ILE 28 -0.975 -12.846 -0.874 234 HG12 ILE 28 HG12 ILE 28 -3.447 -12.218 0.778 235 HG13 ILE 28 HG11 ILE 28 -2.211 -11.035 0.351 236 HG21 ILE 28 HG21 ILE 28 -1.702 -15.216 -0.244 237 HG22 ILE 28 HG22 ILE 28 -2.705 -14.380 -1.430 238 HG23 ILE 28 HG23 ILE 28 -3.236 -14.499 0.247 239 HD11 ILE 28 HD11 ILE 28 -2.636 -11.735 -2.094 240 HD12 ILE 28 HD12 ILE 28 -3.881 -10.764 -1.308 241 HD13 ILE 28 HD13 ILE 28 -4.102 -12.506 -1.486 242 H GLU 29 HN GLU 29 1.394 -12.616 0.373 243 HA GLU 29 HA GLU 29 1.625 -10.132 2.022 244 HB2 GLU 29 HB2 GLU 29 3.762 -11.602 0.445 245 HB3 GLU 29 HB1 GLU 29 4.013 -10.288 1.596 246 HG2 GLU 29 HG2 GLU 29 2.803 -12.984 2.281 247 HG3 GLU 29 HG1 GLU 29 4.465 -12.505 2.615 248 H GLU 30 HN GLU 30 1.346 -8.239 1.069 249 HA GLU 30 HA GLU 30 2.003 -7.911 -1.828 250 HB2 GLU 30 HB2 GLU 30 -0.656 -7.245 -0.535 251 HB3 GLU 30 HB1 GLU 30 -0.146 -6.605 -2.099 252 HG2 GLU 30 HG2 GLU 30 0.119 -8.897 -2.962 253 HG3 GLU 30 HG1 GLU 30 -0.370 -9.548 -1.399 254 H VAL 31 HN VAL 31 2.362 -5.745 -2.431 255 HA VAL 31 HA VAL 31 3.610 -4.126 -0.367 256 HB VAL 31 HB VAL 31 3.067 -3.360 -3.248 257 HG11 VAL 31 HG11 VAL 31 5.303 -2.568 -1.363 258 HG12 VAL 31 HG12 VAL 31 3.847 -1.603 -1.609 259 HG13 VAL 31 HG13 VAL 31 4.956 -1.884 -2.951 260 HG21 VAL 31 HG21 VAL 31 5.331 -4.306 -3.694 261 HG22 VAL 31 HG22 VAL 31 4.183 -5.546 -3.188 262 HG23 VAL 31 HG23 VAL 31 5.374 -4.926 -2.044 263 H ALA 32 HN ALA 32 2.849 -2.337 0.589 264 HA ALA 32 HA ALA 32 0.095 -1.813 0.850 265 HB1 ALA 32 HB1 ALA 32 0.866 0.422 1.785 266 HB2 ALA 32 HB2 ALA 32 2.504 -0.022 1.304 267 HB3 ALA 32 HB3 ALA 32 1.648 -0.985 2.506 268 H ASP 33 HN ASP 33 2.498 -0.164 -1.206 269 HA ASP 33 HA ASP 33 0.709 1.809 -2.245 270 HB2 ASP 33 HB2 ASP 33 2.401 2.062 -4.059 271 HB3 ASP 33 HB1 ASP 33 3.132 2.044 -2.457 272 H ASP 34 HN ASP 34 0.552 -1.486 -2.622 273 HA ASP 34 HA ASP 34 -0.469 -1.404 -5.423 274 HB2 ASP 34 HB2 ASP 34 1.052 -3.266 -4.625 275 HB3 ASP 34 HB1 ASP 34 -0.253 -3.790 -3.558 276 H ILE 35 HN ILE 35 -1.553 -1.549 -2.115 277 HA ILE 35 HA ILE 35 -4.396 -1.874 -3.061 278 HB ILE 35 HB ILE 35 -4.835 -2.637 -0.691 279 HG12 ILE 35 HG12 ILE 35 -1.816 -2.941 -0.589 280 HG13 ILE 35 HG11 ILE 35 -2.697 -1.659 0.239 281 HG21 ILE 35 HG21 ILE 35 -2.842 -4.326 -2.223 282 HG22 ILE 35 HG22 ILE 35 -4.544 -4.172 -2.655 283 HG23 ILE 35 HG23 ILE 35 -4.089 -4.901 -1.116 284 HD11 ILE 35 HD11 ILE 35 -3.158 -4.628 0.648 285 HD12 ILE 35 HD12 ILE 35 -3.976 -3.324 1.507 286 HD13 ILE 35 HD13 ILE 35 -2.248 -3.584 1.739 287 H LEU 36 HN LEU 36 -2.082 0.156 -1.613 288 HA LEU 36 HA LEU 36 -4.221 2.002 -0.603 289 HB2 LEU 36 HB2 LEU 36 -1.380 1.593 0.313 290 HB3 LEU 36 HB1 LEU 36 -2.326 3.007 0.752 291 HG LEU 36 HG LEU 36 -3.559 0.295 1.172 292 HD11 LEU 36 HD11 LEU 36 -1.434 1.570 2.910 293 HD12 LEU 36 HD12 LEU 36 -1.419 -0.046 2.203 294 HD13 LEU 36 HD13 LEU 36 -2.553 0.339 3.498 295 HD21 LEU 36 HD21 LEU 36 -4.799 2.465 1.529 296 HD22 LEU 36 HD22 LEU 36 -3.640 2.859 2.791 297 HD23 LEU 36 HD23 LEU 36 -4.696 1.462 2.973 298 HA PRO 37 HA PRO 37 -2.643 3.958 -4.471 299 HB2 PRO 37 HB2 PRO 37 -4.921 5.759 -3.719 300 HB3 PRO 37 HB1 PRO 37 -4.515 5.058 -5.299 301 HG2 PRO 37 HG2 PRO 37 -6.519 4.089 -3.837 302 HG3 PRO 37 HG1 PRO 37 -5.469 3.017 -4.783 303 HD2 PRO 37 HD2 PRO 37 -5.515 3.480 -1.825 304 HD3 PRO 37 HD1 PRO 37 -5.140 1.995 -2.733 305 H ASP 38 HN ASP 38 -1.552 5.917 -4.834 306 HA ASP 38 HA ASP 38 0.016 7.014 -2.841 307 HB2 ASP 38 HB2 ASP 38 -1.074 8.342 -5.343 308 HB3 ASP 38 HB1 ASP 38 0.162 9.079 -4.325 309 H GLN 39 HN GLN 39 -3.343 7.464 -3.242 310 HA GLN 39 HA GLN 39 -3.721 10.077 -2.153 311 HB2 GLN 39 HB2 GLN 39 -5.528 8.792 -3.264 312 HB3 GLN 39 HB1 GLN 39 -5.526 7.640 -1.928 313 HG2 GLN 39 HG2 GLN 39 -6.199 9.371 -0.361 314 HG3 GLN 39 HG1 GLN 39 -6.041 10.610 -1.604 315 HE21 GLN 39 HE21 GLN 39 -8.520 10.160 -0.223 316 HE22 GLN 39 HE22 GLN 39 -9.650 9.560 -1.340 317 H TYR 40 HN TYR 40 -3.404 6.894 -0.594 318 HA TYR 40 HA TYR 40 -3.400 8.262 2.086 319 HB2 TYR 40 HB2 TYR 40 -3.879 5.357 1.346 320 HB3 TYR 40 HB1 TYR 40 -3.827 5.986 2.994 321 HD1 TYR 40 HD1 TYR 40 -5.701 6.022 -0.196 322 HD2 TYR 40 HD2 TYR 40 -5.611 7.337 3.892 323 HE1 TYR 40 HE1 TYR 40 -8.080 6.703 -0.363 324 HE2 TYR 40 HE2 TYR 40 -7.990 8.017 3.726 325 HH TYR 40 HH TYR 40 -9.893 7.349 0.812 326 H VAL 41 HN VAL 41 -1.232 7.494 -0.156 327 HA VAL 41 HA VAL 41 0.826 6.706 1.886 328 HB VAL 41 HB VAL 41 0.907 5.707 -0.970 329 HG11 VAL 41 HG11 VAL 41 2.968 5.721 0.464 330 HG12 VAL 41 HG12 VAL 41 2.473 4.100 -0.029 331 HG13 VAL 41 HG13 VAL 41 2.127 4.671 1.605 332 HG21 VAL 41 HG21 VAL 41 -1.145 4.807 -0.109 333 HG22 VAL 41 HG22 VAL 41 -0.414 4.470 1.460 334 HG23 VAL 41 HG23 VAL 41 0.060 3.528 0.046 335 H ARG 42 HN ARG 42 0.429 9.304 1.345 336 HA ARG 42 HA ARG 42 1.873 10.368 -0.909 337 HB2 ARG 42 HB2 ARG 42 1.163 11.570 1.788 338 HB3 ARG 42 HB1 ARG 42 1.901 12.485 0.474 339 HG2 ARG 42 HG2 ARG 42 -0.000 11.957 -0.988 340 HG3 ARG 42 HG1 ARG 42 -0.736 10.996 0.295 341 HD2 ARG 42 HD2 ARG 42 -0.855 13.006 1.734 342 HD3 ARG 42 HD1 ARG 42 -0.130 13.968 0.445 343 HE ARG 42 HE ARG 42 -2.414 12.699 -0.649 344 HH11 ARG 42 HH21 ARG 42 -1.579 15.015 1.800 345 HH12 ARG 42 HH22 ARG 42 -3.077 15.875 1.661 346 HH21 ARG 42 HH11 ARG 42 -4.348 13.825 -0.824 347 HH22 ARG 42 HH12 ARG 42 -4.634 15.205 0.183 348 H LEU 43 HN LEU 43 3.829 9.185 -0.957 349 HA LEU 43 HA LEU 43 6.079 8.741 -0.483 350 HB2 LEU 43 HB2 LEU 43 5.676 11.554 0.541 351 HB3 LEU 43 HB1 LEU 43 7.245 10.759 0.683 352 HG LEU 43 HG LEU 43 7.296 10.376 -1.744 353 HD11 LEU 43 HD11 LEU 43 4.566 11.668 -1.610 354 HD12 LEU 43 HD12 LEU 43 5.002 10.114 -2.322 355 HD13 LEU 43 HD13 LEU 43 5.500 11.613 -3.104 356 HD21 LEU 43 HD21 LEU 43 7.678 12.655 -2.417 357 HD22 LEU 43 HD22 LEU 43 8.090 12.559 -0.705 358 HD23 LEU 43 HD23 LEU 43 6.553 13.264 -1.204 359 H GLY 44 HN GLY 44 3.788 8.521 1.688 360 HA2 GLY 44 HA2 GLY 44 4.864 8.668 4.272 361 HA3 GLY 44 HA1 GLY 44 3.638 7.501 3.789 362 HA PRO 45 HA PRO 45 7.820 5.439 4.689 363 HB2 PRO 45 HB2 PRO 45 7.214 4.325 7.132 364 HB3 PRO 45 HB1 PRO 45 7.946 5.930 6.949 365 HG2 PRO 45 HG2 PRO 45 5.101 5.201 7.480 366 HG3 PRO 45 HG1 PRO 45 6.065 6.538 8.131 367 HD2 PRO 45 HD2 PRO 45 4.240 6.850 6.097 368 HD3 PRO 45 HD1 PRO 45 5.661 7.897 6.308 369 H LEU 46 HN LEU 46 4.512 4.621 4.539 370 HA LEU 46 HA LEU 46 4.858 1.708 4.648 371 HB2 LEU 46 HB2 LEU 46 2.522 3.436 3.745 372 HB3 LEU 46 HB1 LEU 46 2.460 1.686 3.944 373 HG LEU 46 HG LEU 46 3.134 3.652 6.156 374 HD11 LEU 46 HD11 LEU 46 0.603 2.036 5.739 375 HD12 LEU 46 HD12 LEU 46 0.755 3.744 5.329 376 HD13 LEU 46 HD13 LEU 46 0.907 3.222 7.005 377 HD21 LEU 46 HD21 LEU 46 2.527 1.451 7.494 378 HD22 LEU 46 HD22 LEU 46 4.136 1.634 6.810 379 HD23 LEU 46 HD23 LEU 46 2.935 0.645 5.979 380 H SER 47 HN SER 47 5.487 4.093 2.392 381 HA SER 47 HA SER 47 4.647 2.911 -0.061 382 HB2 SER 47 HB2 SER 47 5.955 4.543 -1.101 383 HB3 SER 47 HB1 SER 47 5.689 5.269 0.482 384 HG SER 47 HG SER 47 7.764 3.801 0.837 385 H ASN 48 HN ASN 48 5.426 1.330 -1.257 386 HA ASN 48 HA ASN 48 6.623 -0.561 -1.895 387 HB2 ASN 48 HB2 ASN 48 9.013 1.033 -0.941 388 HB3 ASN 48 HB1 ASN 48 9.018 -0.294 -2.104 389 HD21 ASN 48 HD21 ASN 48 6.723 0.419 -3.655 390 HD22 ASN 48 HD22 ASN 48 7.049 1.877 -4.461 391 H LYS 49 HN LYS 49 5.615 -0.480 0.852 392 HA LYS 49 HA LYS 49 7.693 -2.132 2.265 393 HB2 LYS 49 HB2 LYS 49 6.871 -0.135 3.494 394 HB3 LYS 49 HB1 LYS 49 5.234 -0.793 3.425 395 HG2 LYS 49 HG2 LYS 49 5.954 -2.788 4.660 396 HG3 LYS 49 HG1 LYS 49 7.615 -2.198 4.676 397 HD2 LYS 49 HD2 LYS 49 6.897 -0.222 5.975 398 HD3 LYS 49 HD1 LYS 49 5.239 -0.826 5.970 399 HE2 LYS 49 HE2 LYS 49 6.313 -1.437 8.078 400 HE3 LYS 49 HE1 LYS 49 6.027 -2.893 7.125 401 HZ1 LYS 49 HZ1 LYS 49 8.460 -1.904 8.094 402 HZ2 LYS 49 HZ2 LYS 49 8.514 -1.845 6.397 403 HZ3 LYS 49 HZ3 LYS 49 8.185 -3.311 7.189 404 H ILE 50 HN ILE 50 7.286 -4.199 2.739 405 HA ILE 50 HA ILE 50 4.928 -5.477 1.527 406 HB ILE 50 HB ILE 50 7.097 -6.813 3.167 407 HG12 ILE 50 HG12 ILE 50 8.250 -5.503 1.486 408 HG13 ILE 50 HG11 ILE 50 8.219 -7.176 0.927 409 HG21 ILE 50 HG21 ILE 50 5.037 -8.095 2.546 410 HG22 ILE 50 HG22 ILE 50 6.504 -8.756 1.822 411 HG23 ILE 50 HG23 ILE 50 5.400 -7.784 0.850 412 HD11 ILE 50 HD11 ILE 50 6.554 -4.848 -0.026 413 HD12 ILE 50 HD12 ILE 50 6.047 -6.510 -0.323 414 HD13 ILE 50 HD13 ILE 50 7.574 -5.924 -0.975 415 H LEU 51 HN LEU 51 3.110 -5.730 2.601 416 HA LEU 51 HA LEU 51 3.160 -6.009 5.594 417 HB2 LEU 51 HB2 LEU 51 1.027 -4.687 3.887 418 HB3 LEU 51 HB1 LEU 51 1.012 -4.842 5.644 419 HG LEU 51 HG LEU 51 3.114 -3.352 4.045 420 HD11 LEU 51 HD11 LEU 51 1.045 -2.198 5.922 421 HD12 LEU 51 HD12 LEU 51 0.759 -2.347 4.188 422 HD13 LEU 51 HD13 LEU 51 2.078 -1.337 4.783 423 HD21 LEU 51 HD21 LEU 51 3.525 -2.482 6.520 424 HD22 LEU 51 HD22 LEU 51 4.237 -4.001 5.988 425 HD23 LEU 51 HD23 LEU 51 2.769 -4.013 6.966 426 H GLN 52 HN GLN 52 1.743 -7.454 6.505 427 HA GLN 52 HA GLN 52 1.027 -9.752 4.859 428 HB2 GLN 52 HB2 GLN 52 0.393 -9.123 7.763 429 HB3 GLN 52 HB1 GLN 52 0.204 -10.697 6.988 430 HG2 GLN 52 HG2 GLN 52 2.641 -10.696 6.467 431 HG3 GLN 52 HG1 GLN 52 2.805 -9.178 7.340 432 HE21 GLN 52 HE21 GLN 52 2.764 -9.241 9.662 433 HE22 GLN 52 HE22 GLN 52 2.736 -10.697 10.536 434 H THR 53 HN THR 53 -0.610 -9.369 3.466 435 HA THR 53 HA THR 53 -3.031 -7.898 4.343 436 HB THR 53 HB THR 53 -2.175 -9.004 1.649 437 HG1 THR 53 HG1 THR 53 -2.642 -6.361 1.849 438 HG21 THR 53 HG21 THR 53 -4.150 -7.523 0.889 439 HG22 THR 53 HG22 THR 53 -4.696 -7.616 2.563 440 HG23 THR 53 HG23 THR 53 -4.538 -9.088 1.603 441 H ASN 54 HN ASN 54 -4.742 -8.914 5.087 442 HA ASN 54 HA ASN 54 -5.117 -11.845 4.529 443 HB2 ASN 54 HB2 ASN 54 -6.050 -10.108 6.840 444 HB3 ASN 54 HB1 ASN 54 -6.566 -11.775 6.591 445 HD21 ASN 54 HD21 ASN 54 -3.635 -12.157 5.433 446 HD22 ASN 54 HD22 ASN 54 -2.726 -12.416 6.840 447 H THR 55 HN THR 55 -6.253 -11.568 2.594 448 HA THR 55 HA THR 55 -8.678 -9.869 2.554 449 HB THR 55 HB THR 55 -7.540 -11.659 0.385 450 HG1 THR 55 HG1 THR 55 -7.097 -8.979 1.131 451 HG21 THR 55 HG21 THR 55 -8.899 -10.040 -1.042 452 HG22 THR 55 HG22 THR 55 -9.650 -9.495 0.457 453 HG23 THR 55 HG23 THR 55 -9.837 -11.169 -0.064 454 H TYR 56 HN TYR 56 -10.628 -10.628 2.962 455 HA TYR 56 HA TYR 56 -11.041 -13.561 3.287 456 HB2 TYR 56 HB2 TYR 56 -12.748 -11.183 4.095 457 HB3 TYR 56 HB1 TYR 56 -13.164 -12.869 4.395 458 HD1 TYR 56 HD2 TYR 56 -10.713 -10.188 5.164 459 HD2 TYR 56 HD1 TYR 56 -12.126 -14.124 6.146 460 HE1 TYR 56 HE2 TYR 56 -9.325 -10.174 7.222 461 HE2 TYR 56 HE1 TYR 56 -10.740 -14.106 8.204 462 HH TYR 56 HH TYR 56 -9.292 -11.286 9.423 463 H TYR 57 HN TYR 57 -12.406 -14.679 1.997 464 HA TYR 57 HA TYR 57 -14.061 -13.193 -0.006 465 HB2 TYR 57 HB2 TYR 57 -13.314 -14.645 -1.792 466 HB3 TYR 57 HB1 TYR 57 -11.901 -13.899 -1.052 467 HD1 TYR 57 HD2 TYR 57 -10.748 -15.261 0.878 468 HD2 TYR 57 HD1 TYR 57 -13.392 -16.981 -2.040 469 HE1 TYR 57 HE2 TYR 57 -9.803 -17.509 1.339 470 HE2 TYR 57 HE1 TYR 57 -12.441 -19.224 -1.580 471 HH TYR 57 HH TYR 57 -10.563 -19.903 1.116 472 H SER 58 HN SER 58 -16.054 -13.910 -0.048 473 HA SER 58 HA SER 58 -16.656 -16.744 0.654 474 HB2 SER 58 HB2 SER 58 -18.243 -16.201 2.279 475 HB3 SER 58 HB1 SER 58 -16.959 -15.042 2.607 476 HG SER 58 HG SER 58 -19.506 -14.607 1.874 477 H ASP 59 HN ASP 59 -18.931 -17.287 0.084 478 HA ASP 59 HA ASP 59 -19.477 -16.713 -2.655 479 HB2 ASP 59 HB2 ASP 59 -21.176 -17.880 -0.428 480 HB3 ASP 59 HB1 ASP 59 -21.757 -17.750 -2.086 481 H THR 60 HN THR 60 -20.975 -15.507 0.336 482 HA THR 60 HA THR 60 -22.913 -13.802 -0.934 483 HB THR 60 HB THR 60 -21.640 -13.375 1.790 484 HG1 THR 60 HG1 THR 60 -23.899 -14.665 2.010 485 HG21 THR 60 HG21 THR 60 -24.435 -12.810 0.785 486 HG22 THR 60 HG22 THR 60 -23.145 -11.610 0.839 487 HG23 THR 60 HG23 THR 60 -23.742 -12.328 2.333 488 H LEU 61 HN LEU 61 -19.653 -13.179 0.359 489 HA LEU 61 HA LEU 61 -19.598 -10.374 -0.161 490 HB2 LEU 61 HB2 LEU 61 -17.376 -12.436 -0.022 491 HB3 LEU 61 HB1 LEU 61 -17.072 -10.708 -0.168 492 HG LEU 61 HG LEU 61 -18.715 -11.960 2.056 493 HD11 LEU 61 HD11 LEU 61 -15.799 -11.158 1.925 494 HD12 LEU 61 HD12 LEU 61 -16.465 -12.733 2.357 495 HD13 LEU 61 HD13 LEU 61 -16.664 -11.360 3.447 496 HD21 LEU 61 HD21 LEU 61 -17.822 -9.159 1.375 497 HD22 LEU 61 HD22 LEU 61 -17.993 -9.611 3.069 498 HD23 LEU 61 HD23 LEU 61 -19.376 -9.715 1.992 499 H HIS 62 HN HIS 62 -18.617 -13.125 -2.158 500 HA HIS 62 HA HIS 62 -17.569 -11.611 -4.349 501 HB2 HIS 62 HB2 HIS 62 -17.199 -14.047 -4.078 502 HB3 HIS 62 HB1 HIS 62 -18.914 -14.339 -4.376 503 HD1 HIS 62 HD1 HIS 62 -16.093 -12.457 -6.141 504 HD2 HIS 62 HD2 HIS 62 -19.366 -14.878 -7.038 505 HE1 HIS 62 HE1 HIS 62 -16.100 -12.748 -8.657 506 H LYS 63 HN LYS 63 -20.819 -12.803 -3.606 507 HA LYS 63 HA LYS 63 -22.061 -11.996 -6.061 508 HB2 LYS 63 HB2 LYS 63 -23.083 -13.578 -4.421 509 HB3 LYS 63 HB1 LYS 63 -23.320 -12.231 -3.304 510 HG2 LYS 63 HG2 LYS 63 -24.748 -11.096 -4.920 511 HG3 LYS 63 HG1 LYS 63 -24.454 -12.363 -6.111 512 HD2 LYS 63 HD2 LYS 63 -25.508 -14.015 -4.604 513 HD3 LYS 63 HD1 LYS 63 -25.820 -12.736 -3.429 514 HE2 LYS 63 HE2 LYS 63 -27.218 -11.550 -5.072 515 HE3 LYS 63 HE1 LYS 63 -26.891 -12.805 -6.267 516 HZ1 LYS 63 HZ1 LYS 63 -28.638 -13.871 -5.449 517 HZ2 LYS 63 HZ2 LYS 63 -28.782 -12.792 -4.144 518 HZ3 LYS 63 HZ3 LYS 63 -27.753 -14.139 -4.027 519 H SER 64 HN SER 64 -21.545 -10.339 -2.972 520 HA SER 64 HA SER 64 -22.987 -7.934 -3.826 521 HB2 SER 64 HB2 SER 64 -22.232 -7.003 -1.679 522 HB3 SER 64 HB1 SER 64 -22.909 -8.611 -1.446 523 HG SER 64 HG SER 64 -20.526 -7.755 -0.759 524 H ASN 65 HN ASN 65 -20.065 -9.221 -4.627 525 HA ASN 65 HA ASN 65 -18.143 -8.399 -5.663 526 HB2 ASN 65 HB2 ASN 65 -19.991 -6.035 -6.062 527 HB3 ASN 65 HB1 ASN 65 -18.370 -6.112 -6.737 528 HD21 ASN 65 HD21 ASN 65 -20.649 -5.987 -8.433 529 HD22 ASN 65 HD22 ASN 65 -20.796 -7.461 -9.261 530 H ILE 66 HN ILE 66 -18.364 -8.152 -2.813 531 HA ILE 66 HA ILE 66 -16.814 -5.624 -2.299 532 HB ILE 66 HB ILE 66 -18.257 -7.383 -0.291 533 HG12 ILE 66 HG12 ILE 66 -19.905 -6.370 -1.769 534 HG13 ILE 66 HG11 ILE 66 -19.917 -5.496 -0.240 535 HG21 ILE 66 HG21 ILE 66 -17.028 -4.615 -0.120 536 HG22 ILE 66 HG22 ILE 66 -16.399 -6.077 0.637 537 HG23 ILE 66 HG23 ILE 66 -17.936 -5.397 1.173 538 HD11 ILE 66 HD11 ILE 66 -19.892 -3.752 -1.800 539 HD12 ILE 66 HD12 ILE 66 -18.839 -4.627 -2.909 540 HD13 ILE 66 HD13 ILE 66 -18.177 -3.921 -1.437 541 H TYR 67 HN TYR 67 -14.748 -5.822 -1.768 542 HA TYR 67 HA TYR 67 -13.679 -8.534 -1.033 543 HB2 TYR 67 HB2 TYR 67 -12.252 -6.311 -2.500 544 HB3 TYR 67 HB1 TYR 67 -11.603 -7.905 -2.118 545 HD1 TYR 67 HD1 TYR 67 -14.027 -6.047 -4.194 546 HD2 TYR 67 HD2 TYR 67 -12.327 -9.892 -3.309 547 HE1 TYR 67 HE1 TYR 67 -15.026 -6.968 -6.270 548 HE2 TYR 67 HE2 TYR 67 -13.326 -10.811 -5.384 549 HH TYR 67 HH TYR 67 -15.184 -8.734 -7.606 550 HA PRO 68 HA PRO 68 -12.678 -5.722 2.489 551 HB2 PRO 68 HB2 PRO 68 -13.287 -7.465 4.500 552 HB3 PRO 68 HB1 PRO 68 -14.502 -6.443 3.711 553 HG2 PRO 68 HG2 PRO 68 -13.941 -9.336 3.344 554 HG3 PRO 68 HG1 PRO 68 -15.478 -8.467 3.248 555 HD2 PRO 68 HD2 PRO 68 -13.952 -9.299 1.055 556 HD3 PRO 68 HD1 PRO 68 -15.225 -8.063 0.996 557 H PHE 69 HN PHE 69 -10.783 -5.667 3.683 558 HA PHE 69 HA PHE 69 -9.167 -8.117 3.991 559 HB2 PHE 69 HB2 PHE 69 -7.230 -7.209 2.818 560 HB3 PHE 69 HB1 PHE 69 -8.605 -7.283 1.718 561 HD1 PHE 69 HD1 PHE 69 -9.793 -5.231 1.035 562 HD2 PHE 69 HD2 PHE 69 -6.348 -5.075 3.599 563 HE1 PHE 69 HE1 PHE 69 -9.586 -2.796 0.613 564 HE2 PHE 69 HE2 PHE 69 -6.145 -2.639 3.176 565 HZ PHE 69 HZ PHE 69 -7.764 -1.499 1.683 566 H ILE 70 HN ILE 70 -7.357 -7.821 5.373 567 HA ILE 70 HA ILE 70 -7.268 -5.271 6.937 568 HB ILE 70 HB ILE 70 -7.328 -8.071 8.113 569 HG12 ILE 70 HG12 ILE 70 -9.228 -5.749 8.550 570 HG13 ILE 70 HG11 ILE 70 -9.534 -7.032 7.381 571 HG21 ILE 70 HG21 ILE 70 -5.801 -6.791 9.413 572 HG22 ILE 70 HG22 ILE 70 -7.333 -6.666 10.277 573 HG23 ILE 70 HG23 ILE 70 -6.777 -5.331 9.269 574 HD11 ILE 70 HD11 ILE 70 -9.418 -8.712 9.181 575 HD12 ILE 70 HD12 ILE 70 -10.651 -7.505 9.539 576 HD13 ILE 70 HD13 ILE 70 -9.090 -7.436 10.353 577 H LEU 71 HN LEU 71 -5.230 -4.652 7.469 578 HA LEU 71 HA LEU 71 -2.981 -6.367 6.475 579 HB2 LEU 71 HB2 LEU 71 -2.929 -3.416 7.166 580 HB3 LEU 71 HB1 LEU 71 -1.709 -4.332 6.285 581 HG LEU 71 HG LEU 71 -4.523 -3.688 5.366 582 HD11 LEU 71 HD11 LEU 71 -1.900 -3.087 3.995 583 HD12 LEU 71 HD12 LEU 71 -2.597 -1.984 5.179 584 HD13 LEU 71 HD13 LEU 71 -3.479 -2.361 3.699 585 HD21 LEU 71 HD21 LEU 71 -2.465 -5.630 4.307 586 HD22 LEU 71 HD22 LEU 71 -3.636 -4.879 3.225 587 HD23 LEU 71 HD23 LEU 71 -4.192 -5.882 4.559 588 H TYR 72 HN TYR 72 -1.535 -7.150 7.813 589 HA TYR 72 HA TYR 72 -1.517 -6.237 10.678 590 HB2 TYR 72 HB2 TYR 72 -1.124 -9.023 9.542 591 HB3 TYR 72 HB1 TYR 72 -0.870 -8.585 11.230 592 HD1 TYR 72 HD2 TYR 72 -2.796 -7.673 12.575 593 HD2 TYR 72 HD1 TYR 72 -3.316 -9.408 8.681 594 HE1 TYR 72 HE2 TYR 72 -5.218 -7.954 13.024 595 HE2 TYR 72 HE1 TYR 72 -5.739 -9.691 9.132 596 HH TYR 72 HH TYR 72 -7.112 -8.977 12.309 597 H TYR 73 HN TYR 73 0.442 -5.923 11.600 598 HA TYR 73 HA TYR 73 2.925 -6.700 10.191 599 HB2 TYR 73 HB2 TYR 73 2.353 -4.482 9.254 600 HB3 TYR 73 HB1 TYR 73 2.301 -3.812 10.885 601 HD1 TYR 73 HD1 TYR 73 4.523 -5.554 8.445 602 HD2 TYR 73 HD2 TYR 73 4.292 -3.123 11.980 603 HE1 TYR 73 HE1 TYR 73 6.980 -5.223 8.379 604 HE2 TYR 73 HE2 TYR 73 6.749 -2.792 11.912 605 HH TYR 73 HH TYR 73 8.803 -4.664 10.009 606 H GLN 74 HN GLN 74 4.046 -7.655 11.721 607 HA GLN 74 HA GLN 74 4.863 -8.285 13.819 608 HB2 GLN 74 HB2 GLN 74 6.138 -6.174 13.222 609 HB3 GLN 74 HB1 GLN 74 5.033 -5.305 14.288 610 HG2 GLN 74 HG2 GLN 74 5.687 -6.725 16.173 611 HG3 GLN 74 HG1 GLN 74 6.731 -7.677 15.116 612 HE21 GLN 74 HE21 GLN 74 7.757 -6.268 17.406 613 HE22 GLN 74 HE22 GLN 74 8.784 -5.036 16.852 614 H LYS 75 HN LYS 75 2.389 -8.779 14.041 615 HA LYS 75 HA LYS 75 0.458 -8.791 15.362 616 HB2 LYS 75 HB2 LYS 75 2.403 -9.636 16.842 617 HB3 LYS 75 HB1 LYS 75 2.295 -8.074 17.649 618 HG2 LYS 75 HG2 LYS 75 -0.052 -8.470 18.193 619 HG3 LYS 75 HG1 LYS 75 -0.042 -9.980 17.288 620 HD2 LYS 75 HD2 LYS 75 1.911 -9.541 19.550 621 HD3 LYS 75 HD1 LYS 75 0.265 -10.074 19.885 622 HE2 LYS 75 HE2 LYS 75 0.653 -11.958 18.216 623 HE3 LYS 75 HE1 LYS 75 2.352 -11.491 18.205 624 HZ1 LYS 75 HZ1 LYS 75 1.130 -11.837 20.812 625 HZ2 LYS 75 HZ2 LYS 75 2.677 -12.279 20.263 626 HZ3 LYS 75 HZ3 LYS 75 1.332 -13.249 19.894 627 H GLN 76 HN GLN 76 0.013 -6.692 14.163 628 HA GLN 76 HA GLN 76 -1.090 -4.795 16.015 629 HB2 GLN 76 HB2 GLN 76 1.270 -4.096 16.209 630 HB3 GLN 76 HB1 GLN 76 1.337 -3.857 14.465 631 HG2 GLN 76 HG2 GLN 76 -0.317 -2.106 14.568 632 HG3 GLN 76 HG1 GLN 76 -0.638 -2.441 16.269 633 HE21 GLN 76 HE21 GLN 76 0.209 0.157 15.393 634 HE22 GLN 76 HE22 GLN 76 1.762 0.449 16.013 635 H LEU 77 HN LEU 77 -2.624 -3.576 15.028 636 HA LEU 77 HA LEU 77 -3.270 -4.173 12.243 637 HB2 LEU 77 HB2 LEU 77 -4.582 -2.582 14.450 638 HB3 LEU 77 HB1 LEU 77 -5.184 -2.469 12.799 639 HG LEU 77 HG LEU 77 -6.339 -4.220 14.209 640 HD11 LEU 77 HD11 LEU 77 -4.923 -5.692 12.006 641 HD12 LEU 77 HD12 LEU 77 -5.865 -4.270 11.567 642 HD13 LEU 77 HD13 LEU 77 -6.637 -5.620 12.390 643 HD21 LEU 77 HD21 LEU 77 -5.172 -6.197 14.870 644 HD22 LEU 77 HD22 LEU 77 -4.131 -4.860 15.360 645 HD23 LEU 77 HD23 LEU 77 -3.763 -5.776 13.898 646 H ILE 78 HN ILE 78 -2.841 -2.969 10.528 647 HA ILE 78 HA ILE 78 -1.601 -0.263 10.944 648 HB ILE 78 HB ILE 78 -1.354 -2.168 8.591 649 HG12 ILE 78 HG12 ILE 78 -0.240 -3.074 10.575 650 HG13 ILE 78 HG11 ILE 78 0.972 -2.492 9.436 651 HG21 ILE 78 HG21 ILE 78 -0.145 0.519 9.256 652 HG22 ILE 78 HG22 ILE 78 -1.022 0.050 7.799 653 HG23 ILE 78 HG23 ILE 78 0.602 -0.575 8.094 654 HD11 ILE 78 HD11 ILE 78 1.756 -1.566 11.424 655 HD12 ILE 78 HD12 ILE 78 0.139 -1.333 12.076 656 HD13 ILE 78 HD13 ILE 78 0.754 -0.241 10.842 657 H ALA 79 HN ALA 79 -4.059 -2.071 9.149 658 HA ALA 79 HA ALA 79 -5.602 0.341 8.766 659 HB1 ALA 79 HB1 ALA 79 -4.290 -0.826 6.303 660 HB2 ALA 79 HB2 ALA 79 -3.895 0.727 7.037 661 HB3 ALA 79 HB3 ALA 79 -5.485 0.469 6.320 662 H ILE 80 HN ILE 80 -7.669 -0.086 8.198 663 HA ILE 80 HA ILE 80 -8.421 -2.880 7.413 664 HB ILE 80 HB ILE 80 -9.752 -1.133 9.515 665 HG12 ILE 80 HG12 ILE 80 -8.530 -3.887 9.790 666 HG13 ILE 80 HG11 ILE 80 -7.641 -2.407 10.145 667 HG21 ILE 80 HG21 ILE 80 -11.166 -3.280 9.768 668 HG22 ILE 80 HG22 ILE 80 -10.553 -3.717 8.173 669 HG23 ILE 80 HG23 ILE 80 -11.506 -2.248 8.379 670 HD11 ILE 80 HD11 ILE 80 -8.725 -3.477 12.162 671 HD12 ILE 80 HD12 ILE 80 -10.290 -3.120 11.430 672 HD13 ILE 80 HD13 ILE 80 -9.207 -1.804 11.881 673 H GLY 81 HN GLY 81 -9.719 -2.887 5.655 674 HA2 GLY 81 HA2 GLY 81 -11.792 -0.928 5.199 675 HA3 GLY 81 HA1 GLY 81 -10.394 -0.573 4.188 676 H PHE 82 HN PHE 82 -12.424 -1.046 2.721 677 HA PHE 82 HA PHE 82 -11.986 -3.743 1.573 678 HB2 PHE 82 HB2 PHE 82 -14.362 -4.245 1.441 679 HB3 PHE 82 HB1 PHE 82 -13.951 -3.931 3.126 680 HD1 PHE 82 HD2 PHE 82 -15.659 -2.608 0.134 681 HD2 PHE 82 HD1 PHE 82 -14.709 -1.923 4.267 682 HE1 PHE 82 HE2 PHE 82 -17.358 -0.803 0.225 683 HE2 PHE 82 HE1 PHE 82 -16.413 -0.124 4.360 684 HZ PHE 82 HZ PHE 82 -17.735 0.438 2.339 685 H ILE 83 HN ILE 83 -12.879 -3.908 -0.605 686 HA ILE 83 HA ILE 83 -12.855 -1.257 -2.000 687 HB ILE 83 HB ILE 83 -12.324 -4.042 -3.084 688 HG12 ILE 83 HG12 ILE 83 -10.401 -1.757 -2.551 689 HG13 ILE 83 HG11 ILE 83 -10.622 -3.124 -1.462 690 HG21 ILE 83 HG21 ILE 83 -11.438 -2.695 -5.035 691 HG22 ILE 83 HG22 ILE 83 -12.164 -1.269 -4.293 692 HG23 ILE 83 HG23 ILE 83 -13.186 -2.604 -4.822 693 HD11 ILE 83 HD11 ILE 83 -9.617 -3.205 -4.317 694 HD12 ILE 83 HD12 ILE 83 -10.051 -4.646 -3.396 695 HD13 ILE 83 HD13 ILE 83 -8.721 -3.621 -2.855 696 H ASP 84 HN ASP 84 -14.635 -0.575 -2.959 697 HA ASP 84 HA ASP 84 -17.021 -2.347 -3.067 698 HB2 ASP 84 HB2 ASP 84 -17.082 -0.036 -2.004 699 HB3 ASP 84 HB1 ASP 84 -16.896 0.624 -3.629 700 H GLU 85 HN GLU 85 -17.591 -3.241 -4.886 701 HA GLU 85 HA GLU 85 -17.812 -3.756 -7.150 702 HB2 GLU 85 HB2 GLU 85 -18.941 -1.509 -7.106 703 HB3 GLU 85 HB1 GLU 85 -17.402 -0.785 -7.563 704 HG2 GLU 85 HG2 GLU 85 -18.649 -1.109 -9.592 705 HG3 GLU 85 HG1 GLU 85 -17.374 -2.321 -9.576 706 H ASN 86 HN ASN 86 -15.628 -1.004 -7.548 707 HA ASN 86 HA ASN 86 -13.397 -2.858 -8.258 708 HB2 ASN 86 HB2 ASN 86 -14.583 -0.710 -10.042 709 HB3 ASN 86 HB1 ASN 86 -12.974 -1.386 -10.292 710 HD21 ASN 86 HD21 ASN 86 -15.068 -1.724 -12.227 711 HD22 ASN 86 HD22 ASN 86 -15.475 -3.370 -12.287 712 H HIS 87 HN HIS 87 -14.567 0.320 -7.307 713 HA HIS 87 HA HIS 87 -11.830 0.957 -6.274 714 HB2 HIS 87 HB2 HIS 87 -12.410 2.145 -8.519 715 HB3 HIS 87 HB1 HIS 87 -13.544 3.097 -7.562 716 HD1 HIS 87 HD1 HIS 87 -12.574 5.099 -6.406 717 HD2 HIS 87 HD2 HIS 87 -9.635 2.304 -7.370 718 HE1 HIS 87 HE1 HIS 87 -10.357 6.139 -5.761 719 H ASP 88 HN ASP 88 -12.922 3.662 -5.608 720 HA ASP 88 HA ASP 88 -13.805 4.710 -3.729 721 HB2 ASP 88 HB2 ASP 88 -15.903 2.628 -4.316 722 HB3 ASP 88 HB1 ASP 88 -16.089 3.808 -3.019 723 H MET 89 HN MET 89 -11.812 3.621 -2.767 724 HA MET 89 HA MET 89 -12.202 1.318 -1.044 725 HB2 MET 89 HB2 MET 89 -10.007 3.412 -1.167 726 HB3 MET 89 HB1 MET 89 -9.956 1.989 -0.127 727 HG2 MET 89 HG2 MET 89 -10.155 0.530 -2.108 728 HG3 MET 89 HG1 MET 89 -10.191 1.952 -3.150 729 HE1 MET 89 HE1 MET 89 -8.208 -0.197 -3.819 730 HE2 MET 89 HE2 MET 89 -6.715 0.710 -4.049 731 HE3 MET 89 HE3 MET 89 -8.242 1.386 -4.609 732 H ASP 90 HN ASP 90 -12.688 1.264 1.081 733 HA ASP 90 HA ASP 90 -13.129 3.864 2.525 734 HB2 ASP 90 HB2 ASP 90 -15.289 2.915 1.802 735 HB3 ASP 90 HB1 ASP 90 -14.895 1.402 2.618 736 H PHE 91 HN PHE 91 -11.720 3.931 4.124 737 HA PHE 91 HA PHE 91 -10.807 1.411 5.417 738 HB2 PHE 91 HB2 PHE 91 -9.718 4.226 5.708 739 HB3 PHE 91 HB1 PHE 91 -8.991 2.750 6.341 740 HD1 PHE 91 HD1 PHE 91 -8.049 1.045 4.804 741 HD2 PHE 91 HD2 PHE 91 -9.536 4.813 3.374 742 HE1 PHE 91 HE1 PHE 91 -6.877 0.690 2.648 743 HE2 PHE 91 HE2 PHE 91 -8.364 4.457 1.219 744 HZ PHE 91 HZ PHE 91 -7.036 2.397 0.855 745 H LEU 92 HN LEU 92 -11.983 0.846 7.113 746 HA LEU 92 HA LEU 92 -13.630 2.622 8.669 747 HB2 LEU 92 HB2 LEU 92 -12.617 -0.216 9.006 748 HB3 LEU 92 HB1 LEU 92 -13.496 0.566 10.315 749 HG LEU 92 HG LEU 92 -14.981 -0.766 8.802 750 HD11 LEU 92 HD11 LEU 92 -15.488 1.680 9.955 751 HD12 LEU 92 HD12 LEU 92 -16.691 0.722 9.112 752 HD13 LEU 92 HD13 LEU 92 -15.868 2.028 8.269 753 HD21 LEU 92 HD21 LEU 92 -15.312 -0.113 6.523 754 HD22 LEU 92 HD22 LEU 92 -13.562 -0.174 6.745 755 HD23 LEU 92 HD23 LEU 92 -14.400 1.378 6.745 756 H TYR 93 HN TYR 93 -10.452 1.200 9.067 757 HA TYR 93 HA TYR 93 -9.743 3.312 11.053 758 HB2 TYR 93 HB2 TYR 93 -10.331 0.968 12.090 759 HB3 TYR 93 HB1 TYR 93 -8.785 0.462 11.415 760 HD1 TYR 93 HD1 TYR 93 -10.376 3.021 13.619 761 HD2 TYR 93 HD2 TYR 93 -6.747 0.992 12.529 762 HE1 TYR 93 HE1 TYR 93 -9.215 4.060 15.548 763 HE2 TYR 93 HE2 TYR 93 -5.587 2.035 14.461 764 HH TYR 93 HH TYR 93 -5.830 4.021 15.895 765 H LEU 94 HN LEU 94 -7.717 4.124 10.668 766 HA LEU 94 HA LEU 94 -5.881 2.652 8.851 767 HB2 LEU 94 HB2 LEU 94 -7.193 4.086 7.376 768 HB3 LEU 94 HB1 LEU 94 -6.881 5.482 8.405 769 HG LEU 94 HG LEU 94 -4.497 5.384 7.896 770 HD11 LEU 94 HD11 LEU 94 -3.931 3.123 7.670 771 HD12 LEU 94 HD12 LEU 94 -3.882 3.663 5.995 772 HD13 LEU 94 HD13 LEU 94 -5.287 2.782 6.594 773 HD21 LEU 94 HD21 LEU 94 -4.626 5.724 5.401 774 HD22 LEU 94 HD22 LEU 94 -5.823 6.642 6.315 775 HD23 LEU 94 HD23 LEU 94 -6.297 5.167 5.470 776 H HIS 95 HN HIS 95 -4.196 2.443 10.194 777 HA HIS 95 HA HIS 95 -3.136 4.886 11.583 778 HB2 HIS 95 HB2 HIS 95 -4.013 3.178 13.149 779 HB3 HIS 95 HB1 HIS 95 -2.905 1.993 12.456 780 HD1 HIS 95 HD1 HIS 95 -0.258 2.968 12.454 781 HD2 HIS 95 HD2 HIS 95 -2.897 4.438 15.327 782 HE1 HIS 95 HE1 HIS 95 1.171 3.932 14.311 783 H ASN 96 HN ASN 96 -1.157 5.483 11.032 784 HA ASN 96 HA ASN 96 0.462 3.749 9.233 785 HB2 ASN 96 HB2 ASN 96 0.556 6.704 9.900 786 HB3 ASN 96 HB1 ASN 96 1.785 5.898 8.925 787 HD21 ASN 96 HD21 ASN 96 1.191 7.048 6.966 788 HD22 ASN 96 HD22 ASN 96 -0.266 6.733 6.154 789 H THR 97 HN THR 97 2.439 3.028 9.807 790 HA THR 97 HA THR 97 3.152 2.559 12.470 791 HB THR 97 HB THR 97 5.447 2.087 11.583 792 HG1 THR 97 HG1 THR 97 5.387 2.264 9.136 793 HG21 THR 97 HG21 THR 97 3.119 1.081 9.928 794 HG22 THR 97 HG22 THR 97 3.722 0.373 11.427 795 HG23 THR 97 HG23 THR 97 4.718 0.337 9.973 796 H VAL 98 HN VAL 98 3.345 5.517 10.779 797 HA VAL 98 HA VAL 98 5.198 6.624 12.884 798 HB VAL 98 HB VAL 98 4.897 7.402 9.968 799 HG11 VAL 98 HG11 VAL 98 6.321 8.727 12.284 800 HG12 VAL 98 HG12 VAL 98 5.189 9.451 11.141 801 HG13 VAL 98 HG13 VAL 98 6.809 8.999 10.611 802 HG21 VAL 98 HG21 VAL 98 7.112 6.173 11.633 803 HG22 VAL 98 HG22 VAL 98 7.388 6.863 10.036 804 HG23 VAL 98 HG23 VAL 98 6.314 5.476 10.224 805 H MET 99 HN MET 99 3.092 8.171 10.440 806 HA MET 99 HA MET 99 1.793 9.672 12.699 807 HB2 MET 99 HB2 MET 99 1.487 11.518 11.096 808 HB3 MET 99 HB1 MET 99 3.171 11.154 11.449 809 HG2 MET 99 HG2 MET 99 3.461 11.101 9.184 810 HG3 MET 99 HG1 MET 99 2.665 9.530 9.236 811 HE1 MET 99 HE1 MET 99 2.528 12.125 6.719 812 HE2 MET 99 HE2 MET 99 1.237 11.093 6.106 813 HE3 MET 99 HE3 MET 99 2.662 10.365 6.844 814 HA PRO 100 HA PRO 100 -1.657 7.167 10.953 815 HB2 PRO 100 HB2 PRO 100 -2.884 8.501 13.350 816 HB3 PRO 100 HB1 PRO 100 -3.006 6.811 12.824 817 HG2 PRO 100 HG2 PRO 100 -1.441 7.472 14.849 818 HG3 PRO 100 HG1 PRO 100 -0.907 6.271 13.656 819 HD2 PRO 100 HD2 PRO 100 -0.069 9.132 13.958 820 HD3 PRO 100 HD1 PRO 100 0.894 7.711 13.480 821 H LEU 101 HN LEU 101 -3.296 7.803 9.652 822 HA LEU 101 HA LEU 101 -3.687 10.723 9.229 823 HB2 LEU 101 HB2 LEU 101 -4.754 8.373 7.613 824 HB3 LEU 101 HB1 LEU 101 -4.722 10.065 7.124 825 HG LEU 101 HG LEU 101 -2.274 8.367 7.685 826 HD11 LEU 101 HD11 LEU 101 -3.184 9.458 5.016 827 HD12 LEU 101 HD12 LEU 101 -3.665 7.857 5.580 828 HD13 LEU 101 HD13 LEU 101 -1.959 8.229 5.334 829 HD21 LEU 101 HD21 LEU 101 -2.704 11.250 6.889 830 HD22 LEU 101 HD22 LEU 101 -1.218 10.410 6.444 831 HD23 LEU 101 HD23 LEU 101 -1.648 10.595 8.141 832 H LEU 102 HN LEU 102 -5.904 7.977 8.904 833 HA LEU 102 HA LEU 102 -7.929 9.488 10.530 834 HB2 LEU 102 HB2 LEU 102 -8.421 7.465 8.316 835 HB3 LEU 102 HB1 LEU 102 -9.646 8.392 9.185 836 HG LEU 102 HG LEU 102 -7.451 9.586 7.459 837 HD11 LEU 102 HD11 LEU 102 -10.441 9.409 6.963 838 HD12 LEU 102 HD12 LEU 102 -9.235 8.384 6.183 839 HD13 LEU 102 HD13 LEU 102 -9.239 10.123 5.889 840 HD21 LEU 102 HD21 LEU 102 -7.951 11.226 9.077 841 HD22 LEU 102 HD22 LEU 102 -9.650 10.759 9.166 842 HD23 LEU 102 HD23 LEU 102 -9.048 11.638 7.762 843 H ASP 103 HN ASP 103 -8.765 8.532 12.228 844 HA ASP 103 HA ASP 103 -8.729 5.612 12.565 845 HB2 ASP 103 HB2 ASP 103 -7.471 5.687 14.672 846 HB3 ASP 103 HB1 ASP 103 -6.483 6.280 13.340 847 H GLN 104 HN GLN 104 -11.025 6.210 12.475 848 HA GLN 104 HA GLN 104 -12.061 7.421 15.023 849 HB2 GLN 104 HB2 GLN 104 -13.315 7.139 12.278 850 HB3 GLN 104 HB1 GLN 104 -14.210 7.652 13.709 851 HG2 GLN 104 HG2 GLN 104 -11.717 9.039 12.683 852 HG3 GLN 104 HG1 GLN 104 -13.360 9.565 12.323 853 HE21 GLN 104 HE21 GLN 104 -14.556 10.636 13.994 854 HE22 GLN 104 HE22 GLN 104 -13.870 11.057 15.488 855 H ARG 105 HN ARG 105 -12.650 5.957 16.444 856 HA ARG 105 HA ARG 105 -13.087 3.175 15.879 857 HB2 ARG 105 HB2 ARG 105 -12.386 4.053 18.113 858 HB3 ARG 105 HB1 ARG 105 -13.984 4.775 18.304 859 HG2 ARG 105 HG2 ARG 105 -15.029 2.562 18.140 860 HG3 ARG 105 HG1 ARG 105 -13.451 1.820 17.881 861 HD2 ARG 105 HD2 ARG 105 -12.727 2.698 20.111 862 HD3 ARG 105 HD1 ARG 105 -14.365 3.296 20.365 863 HE ARG 105 HE ARG 105 -15.120 1.048 20.659 864 HH11 ARG 105 HH21 ARG 105 -11.802 1.235 19.656 865 HH12 ARG 105 HH22 ARG 105 -11.483 -0.431 20.006 866 HH21 ARG 105 HH11 ARG 105 -14.695 -1.106 21.114 867 HH22 ARG 105 HH12 ARG 105 -13.112 -1.749 20.828 868 H TYR 106 HN TYR 106 -15.256 5.934 16.358 869 HA TYR 106 HA TYR 106 -17.749 4.732 16.567 870 HB2 TYR 106 HB2 TYR 106 -17.176 7.062 14.700 871 HB3 TYR 106 HB1 TYR 106 -18.688 6.714 15.536 872 HD1 TYR 106 HD1 TYR 106 -18.749 6.806 18.071 873 HD2 TYR 106 HD2 TYR 106 -15.435 8.288 15.773 874 HE1 TYR 106 HE1 TYR 106 -17.979 8.122 20.026 875 HE2 TYR 106 HE2 TYR 106 -14.666 9.604 17.728 876 HH TYR 106 HH TYR 106 -14.918 9.473 20.244 877 H LEU 107 HN LEU 107 -16.042 5.464 13.524 878 HA LEU 107 HA LEU 107 -17.960 4.188 11.805 879 HB2 LEU 107 HB2 LEU 107 -14.983 4.562 11.298 880 HB3 LEU 107 HB1 LEU 107 -16.248 4.370 10.084 881 HG LEU 107 HG LEU 107 -16.044 6.682 12.040 882 HD11 LEU 107 HD11 LEU 107 -14.308 6.603 10.190 883 HD12 LEU 107 HD12 LEU 107 -15.355 8.021 10.162 884 HD13 LEU 107 HD13 LEU 107 -15.640 6.694 9.037 885 HD21 LEU 107 HD21 LEU 107 -17.798 7.598 10.328 886 HD22 LEU 107 HD22 LEU 107 -18.338 6.452 11.549 887 HD23 LEU 107 HD23 LEU 107 -18.030 5.901 9.901 888 H LEU 108 HN LEU 108 -15.020 3.074 13.422 889 HA LEU 108 HA LEU 108 -14.860 0.509 12.188 890 HB2 LEU 108 HB2 LEU 108 -13.220 1.805 13.847 891 HB3 LEU 108 HB1 LEU 108 -14.084 0.892 15.083 892 HG LEU 108 HG LEU 108 -12.719 -0.321 12.659 893 HD11 LEU 108 HD11 LEU 108 -10.980 -1.026 14.115 894 HD12 LEU 108 HD12 LEU 108 -11.889 -0.561 15.552 895 HD13 LEU 108 HD13 LEU 108 -11.233 0.680 14.484 896 HD21 LEU 108 HD21 LEU 108 -13.083 -2.419 14.240 897 HD22 LEU 108 HD22 LEU 108 -14.379 -1.859 13.193 898 HD23 LEU 108 HD23 LEU 108 -14.387 -1.432 14.904 899 H THR 109 HN THR 109 -16.501 1.567 15.170 900 HA THR 109 HA THR 109 -17.655 -1.119 15.585 901 HB THR 109 HB THR 109 -18.062 1.503 17.065 902 HG1 THR 109 HG1 THR 109 -16.776 0.375 18.623 903 HG21 THR 109 HG21 THR 109 -20.014 0.214 17.459 904 HG22 THR 109 HG22 THR 109 -18.966 -0.133 18.834 905 HG23 THR 109 HG23 THR 109 -19.103 -1.295 17.516 906 H GLY 110 HN GLY 110 -18.524 1.863 14.066 907 HA2 GLY 110 HA2 GLY 110 -20.398 2.406 12.756 908 HA3 GLY 110 HA1 GLY 110 -20.936 0.734 12.932 909 H GLY 111 HN GLY 111 -20.267 2.236 15.890 910 HA2 GLY 111 HA2 GLY 111 -23.018 2.073 16.764 911 HA3 GLY 111 HA1 GLY 111 -21.678 2.732 17.701 912 H GLN 112 HN GLN 112 -24.467 3.701 17.205 913 HA GLN 112 HA GLN 112 -24.024 6.257 15.756 914 HB2 GLN 112 HB2 GLN 112 -26.126 4.907 15.425 915 HB3 GLN 112 HB1 GLN 112 -26.552 5.246 17.105 916 HG2 GLN 112 HG2 GLN 112 -26.556 7.640 16.672 917 HG3 GLN 112 HG1 GLN 112 -25.971 7.378 15.030 918 HE21 GLN 112 HE21 GLN 112 -28.408 8.764 15.465 919 HE22 GLN 112 HE22 GLN 112 -29.695 7.804 14.913 920 H LEU 113 HN LEU 113 -22.406 6.730 17.545 921 HA LEU 113 HA LEU 113 -23.647 7.725 20.071 922 HB2 LEU 113 HB2 LEU 113 -20.717 7.586 19.248 923 HB3 LEU 113 HB1 LEU 113 -21.333 7.983 20.853 924 HG LEU 113 HG LEU 113 -21.757 5.341 19.419 925 HD11 LEU 113 HD11 LEU 113 -19.960 6.146 21.724 926 HD12 LEU 113 HD12 LEU 113 -19.459 5.508 20.157 927 HD13 LEU 113 HD13 LEU 113 -20.317 4.473 21.300 928 HD21 LEU 113 HD21 LEU 113 -22.755 6.502 22.018 929 HD22 LEU 113 HD22 LEU 113 -22.489 4.763 21.887 930 HD23 LEU 113 HD23 LEU 113 -23.628 5.560 20.810 931 H GLU 114 HN GLU 114 -23.369 8.866 17.075 932 HA GLU 114 HA GLU 114 -22.022 11.336 17.161 933 HB2 GLU 114 HB2 GLU 114 -24.621 10.628 15.756 934 HB3 GLU 114 HB1 GLU 114 -23.663 12.070 15.418 935 HG2 GLU 114 HG2 GLU 114 -22.621 9.232 15.190 936 HG3 GLU 114 HG1 GLU 114 -23.184 10.200 13.829 937 H HIS 115 HN HIS 115 -22.421 13.268 18.055 938 HA HIS 115 HA HIS 115 -24.597 13.484 20.034 939 HB2 HIS 115 HB2 HIS 115 -22.251 15.258 19.288 940 HB3 HIS 115 HB1 HIS 115 -23.465 15.735 20.475 941 HD1 HIS 115 HD1 HIS 115 -20.742 13.187 19.887 942 HD2 HIS 115 HD2 HIS 115 -23.275 14.417 22.962 943 HE1 HIS 115 HE1 HIS 115 -19.926 12.036 21.992 944 H HIS 116 HN HIS 116 -24.032 14.313 16.778 945 HA HIS 116 HA HIS 116 -25.823 16.652 16.743 946 HB2 HIS 116 HB2 HIS 116 -24.403 15.108 14.550 947 HB3 HIS 116 HB1 HIS 116 -25.454 16.491 14.242 948 HD1 HIS 116 HD1 HIS 116 -22.112 15.573 15.678 949 HD2 HIS 116 HD2 HIS 116 -24.404 19.006 15.095 950 HE1 HIS 116 HE1 HIS 116 -20.579 17.542 16.113 951 H HIS 117 HN HIS 117 -27.943 16.430 16.724 952 HA HIS 117 HA HIS 117 -29.248 14.415 15.021 953 HB2 HIS 117 HB2 HIS 117 -28.817 13.313 17.270 954 HB3 HIS 117 HB1 HIS 117 -29.914 14.503 17.973 955 HD1 HIS 117 HD1 HIS 117 -32.429 14.430 17.161 956 HD2 HIS 117 HD2 HIS 117 -30.077 11.262 15.818 957 HE1 HIS 117 HE1 HIS 117 -34.028 12.673 16.282 958 H HIS 118 HN HIS 118 -31.136 15.164 14.262 959 HA HIS 118 HA HIS 118 -32.636 16.871 13.632 960 HB2 HIS 118 HB2 HIS 118 -33.845 15.507 15.287 961 HB3 HIS 118 HB1 HIS 118 -33.259 16.555 16.579 962 HD1 HIS 118 HD1 HIS 118 -35.231 16.852 13.323 963 HD2 HIS 118 HD2 HIS 118 -34.902 18.737 17.026 964 HE1 HIS 118 HE1 HIS 118 -37.015 18.649 13.373 965 H HIS 119 HN HIS 119 -31.167 18.551 13.168 966 HA HIS 119 HA HIS 119 -31.430 20.864 14.992 967 HB2 HIS 119 HB2 HIS 119 -29.327 19.809 15.716 968 HB3 HIS 119 HB1 HIS 119 -28.733 19.833 14.055 969 HD1 HIS 119 HD1 HIS 119 -29.951 22.279 16.710 970 HD2 HIS 119 HD2 HIS 119 -27.438 22.199 13.385 971 HE1 HIS 119 HE1 HIS 119 -28.821 24.543 16.612 972 H HIS 120 HN HIS 120 -30.936 22.862 13.927 973 HA HIS 120 HA HIS 120 -30.394 22.855 11.030 974 HB2 HIS 120 HB2 HIS 120 -33.028 23.867 12.157 975 HB3 HIS 120 HB1 HIS 120 -32.482 24.079 10.493 976 HD1 HIS 120 HD1 HIS 120 -31.999 21.744 9.162 977 HD2 HIS 120 HD2 HIS 120 -34.346 21.465 12.596 978 HE1 HIS 120 HE1 HIS 120 -33.199 19.515 9.031 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -8.806 -8.183 17.750 2 H2 MET 1 HT2 MET 1 -7.446 -9.147 18.076 3 H3 MET 1 HT3 MET 1 -8.230 -8.319 19.337 4 HA MET 1 HA MET 1 -9.005 -10.780 17.960 5 HB2 MET 1 HB2 MET 1 -9.252 -9.699 20.787 6 HB3 MET 1 HB1 MET 1 -9.768 -11.308 20.281 7 HG2 MET 1 HG2 MET 1 -6.941 -10.253 19.981 8 HG3 MET 1 HG1 MET 1 -7.476 -11.282 21.309 9 HE1 MET 1 HE1 MET 1 -8.750 -13.224 21.074 10 HE2 MET 1 HE2 MET 1 -7.320 -14.233 20.881 11 HE3 MET 1 HE3 MET 1 -8.679 -14.431 19.781 12 H THR 2 HN THR 2 -10.343 -7.766 19.182 13 HA THR 2 HA THR 2 -13.116 -8.684 18.539 14 HB THR 2 HB THR 2 -12.158 -6.160 19.935 15 HG1 THR 2 HG1 THR 2 -11.929 -7.470 21.544 16 HG21 THR 2 HG21 THR 2 -14.313 -5.742 19.019 17 HG22 THR 2 HG22 THR 2 -14.606 -6.189 20.701 18 HG23 THR 2 HG23 THR 2 -14.878 -7.365 19.415 19 H LEU 3 HN LEU 3 -10.518 -6.901 17.262 20 HA LEU 3 HA LEU 3 -11.901 -4.848 15.805 21 HB2 LEU 3 HB2 LEU 3 -9.361 -6.286 14.972 22 HB3 LEU 3 HB1 LEU 3 -9.865 -4.662 14.500 23 HG LEU 3 HG LEU 3 -9.243 -5.538 17.336 24 HD11 LEU 3 HD11 LEU 3 -7.677 -3.774 15.430 25 HD12 LEU 3 HD12 LEU 3 -7.228 -5.412 15.906 26 HD13 LEU 3 HD13 LEU 3 -7.246 -4.117 17.104 27 HD21 LEU 3 HD21 LEU 3 -10.199 -2.959 16.089 28 HD22 LEU 3 HD22 LEU 3 -9.250 -2.929 17.576 29 HD23 LEU 3 HD23 LEU 3 -10.793 -3.778 17.535 30 H GLU 4 HN GLU 4 -11.053 -8.198 14.987 31 HA GLU 4 HA GLU 4 -11.973 -8.111 12.270 32 HB2 GLU 4 HB2 GLU 4 -10.558 -9.944 13.305 33 HB3 GLU 4 HB1 GLU 4 -12.011 -10.510 14.127 34 HG2 GLU 4 HG2 GLU 4 -11.786 -11.806 12.107 35 HG3 GLU 4 HG1 GLU 4 -13.121 -10.681 11.859 36 H LEU 5 HN LEU 5 -13.570 -9.071 15.297 37 HA LEU 5 HA LEU 5 -16.105 -9.737 14.122 38 HB2 LEU 5 HB2 LEU 5 -15.370 -8.808 16.919 39 HB3 LEU 5 HB1 LEU 5 -16.966 -9.411 16.476 40 HG LEU 5 HG LEU 5 -14.391 -10.981 16.131 41 HD11 LEU 5 HD11 LEU 5 -15.304 -12.333 18.060 42 HD12 LEU 5 HD12 LEU 5 -16.493 -11.056 18.312 43 HD13 LEU 5 HD13 LEU 5 -14.774 -10.708 18.498 44 HD21 LEU 5 HD21 LEU 5 -15.894 -11.957 14.628 45 HD22 LEU 5 HD22 LEU 5 -17.305 -11.539 15.598 46 HD23 LEU 5 HD23 LEU 5 -16.258 -12.870 16.089 47 H GLN 6 HN GLN 6 -14.802 -6.745 15.483 48 HA GLN 6 HA GLN 6 -17.207 -5.200 15.281 49 HB2 GLN 6 HB2 GLN 6 -15.147 -4.577 16.610 50 HB3 GLN 6 HB1 GLN 6 -14.350 -4.198 15.084 51 HG2 GLN 6 HG2 GLN 6 -15.243 -2.140 16.003 52 HG3 GLN 6 HG1 GLN 6 -16.204 -2.575 14.589 53 HE21 GLN 6 HE21 GLN 6 -18.283 -1.837 15.169 54 HE22 GLN 6 HE22 GLN 6 -19.098 -2.311 16.580 55 H LEU 7 HN LEU 7 -14.449 -5.602 13.071 56 HA LEU 7 HA LEU 7 -15.394 -3.759 11.104 57 HB2 LEU 7 HB2 LEU 7 -13.055 -4.646 11.175 58 HB3 LEU 7 HB1 LEU 7 -13.668 -6.223 10.676 59 HG LEU 7 HG LEU 7 -14.598 -5.168 8.613 60 HD11 LEU 7 HD11 LEU 7 -14.946 -2.911 9.023 61 HD12 LEU 7 HD12 LEU 7 -13.423 -2.835 8.143 62 HD13 LEU 7 HD13 LEU 7 -13.431 -2.719 9.904 63 HD21 LEU 7 HD21 LEU 7 -12.522 -6.226 8.278 64 HD22 LEU 7 HD22 LEU 7 -11.644 -5.004 9.198 65 HD23 LEU 7 HD23 LEU 7 -12.285 -4.617 7.601 66 H LYS 8 HN LYS 8 -15.834 -7.243 11.506 67 HA LYS 8 HA LYS 8 -17.261 -7.722 9.076 68 HB2 LYS 8 HB2 LYS 8 -16.310 -9.510 10.550 69 HB3 LYS 8 HB1 LYS 8 -17.565 -9.157 11.737 70 HG2 LYS 8 HG2 LYS 8 -19.305 -9.735 10.106 71 HG3 LYS 8 HG1 LYS 8 -18.076 -10.030 8.876 72 HD2 LYS 8 HD2 LYS 8 -17.120 -11.839 10.270 73 HD3 LYS 8 HD1 LYS 8 -18.364 -11.552 11.487 74 HE2 LYS 8 HE2 LYS 8 -19.045 -13.425 10.080 75 HE3 LYS 8 HE1 LYS 8 -20.107 -12.052 9.769 76 HZ1 LYS 8 HZ1 LYS 8 -19.469 -12.940 7.685 77 HZ2 LYS 8 HZ2 LYS 8 -17.826 -12.981 8.117 78 HZ3 LYS 8 HZ3 LYS 8 -18.606 -11.492 7.874 79 H HIS 9 HN HIS 9 -18.374 -6.907 12.348 80 HA HIS 9 HA HIS 9 -21.171 -6.999 11.799 81 HB2 HIS 9 HB2 HIS 9 -20.238 -6.868 14.094 82 HB3 HIS 9 HB1 HIS 9 -19.698 -5.219 13.767 83 HD1 HIS 9 HD1 HIS 9 -22.885 -7.266 13.986 84 HD2 HIS 9 HD2 HIS 9 -21.688 -3.274 14.045 85 HE1 HIS 9 HE1 HIS 9 -24.953 -5.908 14.520 86 H TYR 10 HN TYR 10 -18.832 -4.320 11.600 87 HA TYR 10 HA TYR 10 -20.706 -2.289 10.852 88 HB2 TYR 10 HB2 TYR 10 -18.422 -1.725 11.569 89 HB3 TYR 10 HB1 TYR 10 -17.759 -2.558 10.162 90 HD1 TYR 10 HD2 TYR 10 -19.734 0.360 11.287 91 HD2 TYR 10 HD1 TYR 10 -17.820 -1.562 7.958 92 HE1 TYR 10 HE2 TYR 10 -20.020 2.419 9.935 93 HE2 TYR 10 HE1 TYR 10 -18.107 0.497 6.604 94 HH TYR 10 HH TYR 10 -19.101 2.506 6.507 95 H ILE 11 HN ILE 11 -18.635 -4.396 8.870 96 HA ILE 11 HA ILE 11 -19.522 -3.401 6.333 97 HB ILE 11 HB ILE 11 -18.355 -6.087 7.136 98 HG12 ILE 11 HG12 ILE 11 -17.075 -3.742 5.702 99 HG13 ILE 11 HG11 ILE 11 -16.961 -3.993 7.444 100 HG21 ILE 11 HG21 ILE 11 -19.474 -6.475 5.067 101 HG22 ILE 11 HG22 ILE 11 -17.792 -6.176 4.630 102 HG23 ILE 11 HG23 ILE 11 -18.997 -4.903 4.429 103 HD11 ILE 11 HD11 ILE 11 -16.016 -5.920 5.299 104 HD12 ILE 11 HD12 ILE 11 -15.953 -6.230 7.034 105 HD13 ILE 11 HD13 ILE 11 -14.985 -4.932 6.333 106 H THR 12 HN THR 12 -20.596 -6.163 8.308 107 HA THR 12 HA THR 12 -22.560 -7.095 6.426 108 HB THR 12 HB THR 12 -23.525 -8.273 8.463 109 HG1 THR 12 HG1 THR 12 -21.433 -7.834 10.047 110 HG21 THR 12 HG21 THR 12 -20.573 -8.488 7.835 111 HG22 THR 12 HG22 THR 12 -21.890 -9.441 7.151 112 HG23 THR 12 HG23 THR 12 -21.435 -9.652 8.841 113 H ASN 13 HN ASN 13 -22.768 -4.943 9.241 114 HA ASN 13 HA ASN 13 -25.619 -4.549 9.091 115 HB2 ASN 13 HB2 ASN 13 -24.333 -4.036 11.130 116 HB3 ASN 13 HB1 ASN 13 -23.450 -2.777 10.270 117 HD21 ASN 13 HD21 ASN 13 -24.969 -2.105 12.578 118 HD22 ASN 13 HD22 ASN 13 -26.309 -1.176 12.105 119 H LEU 14 HN LEU 14 -22.840 -2.808 7.757 120 HA LEU 14 HA LEU 14 -24.277 -0.607 6.635 121 HB2 LEU 14 HB2 LEU 14 -21.817 -0.600 6.864 122 HB3 LEU 14 HB1 LEU 14 -21.697 -1.921 5.706 123 HG LEU 14 HG LEU 14 -22.628 -0.498 3.935 124 HD11 LEU 14 HD11 LEU 14 -24.140 0.975 4.929 125 HD12 LEU 14 HD12 LEU 14 -22.781 2.050 4.616 126 HD13 LEU 14 HD13 LEU 14 -23.036 1.400 6.235 127 HD21 LEU 14 HD21 LEU 14 -20.419 0.927 5.455 128 HD22 LEU 14 HD22 LEU 14 -20.778 1.104 3.738 129 HD23 LEU 14 HD23 LEU 14 -20.180 -0.434 4.358 130 H PHE 15 HN PHE 15 -23.359 -3.762 5.280 131 HA PHE 15 HA PHE 15 -24.951 -3.168 2.824 132 HB2 PHE 15 HB2 PHE 15 -22.915 -5.291 3.536 133 HB3 PHE 15 HB1 PHE 15 -23.912 -5.402 2.085 134 HD1 PHE 15 HD2 PHE 15 -23.864 -3.486 0.417 135 HD2 PHE 15 HD1 PHE 15 -21.012 -3.859 3.608 136 HE1 PHE 15 HE2 PHE 15 -22.345 -1.917 -0.758 137 HE2 PHE 15 HE1 PHE 15 -19.493 -2.288 2.433 138 HZ PHE 15 HZ PHE 15 -20.160 -1.317 0.250 139 H ASN 16 HN ASN 16 -25.507 -4.364 5.818 140 HA ASN 16 HA ASN 16 -27.153 -5.730 6.760 141 HB2 ASN 16 HB2 ASN 16 -28.529 -4.161 5.347 142 HB3 ASN 16 HB1 ASN 16 -28.547 -5.400 4.089 143 HD21 ASN 16 HD21 ASN 16 -29.438 -4.867 7.534 144 HD22 ASN 16 HD22 ASN 16 -30.681 -6.024 7.550 145 H LEU 17 HN LEU 17 -24.997 -7.100 5.680 146 HA LEU 17 HA LEU 17 -26.085 -9.373 4.147 147 HB2 LEU 17 HB2 LEU 17 -23.281 -8.915 5.205 148 HB3 LEU 17 HB1 LEU 17 -23.757 -10.159 4.057 149 HG LEU 17 HG LEU 17 -24.222 -7.224 3.516 150 HD11 LEU 17 HD11 LEU 17 -21.804 -7.605 3.897 151 HD12 LEU 17 HD12 LEU 17 -22.146 -7.237 2.207 152 HD13 LEU 17 HD13 LEU 17 -21.831 -8.900 2.700 153 HD21 LEU 17 HD21 LEU 17 -25.507 -8.627 2.062 154 HD22 LEU 17 HD22 LEU 17 -24.165 -9.748 1.834 155 HD23 LEU 17 HD23 LEU 17 -24.100 -8.136 1.128 156 HA PRO 18 HA PRO 18 -26.787 -11.854 7.761 157 HB2 PRO 18 HB2 PRO 18 -26.486 -14.370 6.692 158 HB3 PRO 18 HB1 PRO 18 -27.899 -13.340 6.380 159 HG2 PRO 18 HG2 PRO 18 -25.477 -13.781 4.684 160 HG3 PRO 18 HG1 PRO 18 -27.183 -13.714 4.210 161 HD2 PRO 18 HD2 PRO 18 -25.524 -11.605 3.872 162 HD3 PRO 18 HD1 PRO 18 -27.245 -11.392 4.251 163 H ARG 19 HN ARG 19 -25.631 -12.791 9.413 164 HA ARG 19 HA ARG 19 -22.685 -12.965 9.071 165 HB2 ARG 19 HB2 ARG 19 -24.495 -12.965 11.504 166 HB3 ARG 19 HB1 ARG 19 -22.746 -13.167 11.593 167 HG2 ARG 19 HG2 ARG 19 -22.410 -10.997 10.513 168 HG3 ARG 19 HG1 ARG 19 -24.153 -10.796 10.333 169 HD2 ARG 19 HD2 ARG 19 -24.420 -10.841 12.781 170 HD3 ARG 19 HD1 ARG 19 -22.681 -11.070 12.969 171 HE ARG 19 HE ARG 19 -22.349 -8.777 12.422 172 HH11 ARG 19 HH21 ARG 19 -25.611 -9.813 11.881 173 HH12 ARG 19 HH22 ARG 19 -26.213 -8.202 11.670 174 HH21 ARG 19 HH11 ARG 19 -23.132 -6.693 12.156 175 HH22 ARG 19 HH12 ARG 19 -24.815 -6.442 11.826 176 H ASP 20 HN ASP 20 -25.160 -15.012 8.592 177 HA ASP 20 HA ASP 20 -24.144 -17.346 10.069 178 HB2 ASP 20 HB2 ASP 20 -25.994 -18.542 9.070 179 HB3 ASP 20 HB1 ASP 20 -26.597 -16.962 9.559 180 H GLU 21 HN GLU 21 -23.037 -15.704 7.476 181 HA GLU 21 HA GLU 21 -22.258 -18.114 5.894 182 HB2 GLU 21 HB2 GLU 21 -23.202 -16.101 4.717 183 HB3 GLU 21 HB1 GLU 21 -21.794 -15.186 5.255 184 HG2 GLU 21 HG2 GLU 21 -21.336 -15.975 3.019 185 HG3 GLU 21 HG1 GLU 21 -20.340 -16.919 4.123 186 H LYS 22 HN LYS 22 -20.366 -19.017 6.343 187 HA LYS 22 HA LYS 22 -18.392 -17.772 8.064 188 HB2 LYS 22 HB2 LYS 22 -18.796 -20.233 7.982 189 HB3 LYS 22 HB1 LYS 22 -18.122 -20.258 6.352 190 HG2 LYS 22 HG2 LYS 22 -15.988 -19.389 7.192 191 HG3 LYS 22 HG1 LYS 22 -16.655 -19.286 8.822 192 HD2 LYS 22 HD2 LYS 22 -17.008 -21.733 8.830 193 HD3 LYS 22 HD1 LYS 22 -16.319 -21.832 7.208 194 HE2 LYS 22 HE2 LYS 22 -14.190 -20.916 8.043 195 HE3 LYS 22 HE1 LYS 22 -14.874 -20.793 9.664 196 HZ1 LYS 22 HZ1 LYS 22 -14.956 -23.081 9.893 197 HZ2 LYS 22 HZ2 LYS 22 -13.488 -22.847 9.071 198 HZ3 LYS 22 HZ3 LYS 22 -14.865 -23.366 8.223 199 H TRP 23 HN TRP 23 -16.652 -16.613 7.503 200 HA TRP 23 HA TRP 23 -16.204 -16.020 4.634 201 HB2 TRP 23 HB2 TRP 23 -15.264 -14.745 7.207 202 HB3 TRP 23 HB1 TRP 23 -14.606 -14.280 5.642 203 HD1 TRP 23 HD1 TRP 23 -18.215 -15.215 5.463 204 HE1 TRP 23 HE1 TRP 23 -19.663 -13.103 5.236 205 HE3 TRP 23 HE3 TRP 23 -14.724 -11.633 6.507 206 HZ2 TRP 23 HZ2 TRP 23 -19.387 -10.268 5.463 207 HZ3 TRP 23 HZ3 TRP 23 -15.347 -9.235 6.493 208 HH2 TRP 23 HH2 TRP 23 -17.672 -8.548 5.973 209 H GLU 24 HN GLU 24 -14.190 -16.249 3.642 210 HA GLU 24 HA GLU 24 -12.341 -18.201 4.974 211 HB2 GLU 24 HB2 GLU 24 -13.397 -18.975 2.864 212 HB3 GLU 24 HB1 GLU 24 -12.692 -17.593 2.022 213 HG2 GLU 24 HG2 GLU 24 -10.438 -18.360 2.596 214 HG3 GLU 24 HG1 GLU 24 -11.109 -19.704 3.518 215 H CYS 25 HN CYS 25 -10.523 -17.366 5.664 216 HA CYS 25 HA CYS 25 -9.608 -14.714 4.723 217 HB2 CYS 25 HB2 CYS 25 -8.216 -16.341 6.842 218 HB3 CYS 25 HB1 CYS 25 -8.396 -14.589 6.721 219 HG CYS 25 HG CYS 25 -10.876 -14.822 7.475 220 H GLU 26 HN GLU 26 -7.683 -14.364 3.687 221 HA GLU 26 HA GLU 26 -5.889 -16.681 3.121 222 HB2 GLU 26 HB2 GLU 26 -7.473 -16.479 1.214 223 HB3 GLU 26 HB1 GLU 26 -6.971 -14.802 0.996 224 HG2 GLU 26 HG2 GLU 26 -4.667 -15.516 0.571 225 HG3 GLU 26 HG1 GLU 26 -5.114 -17.195 0.868 226 H SER 27 HN SER 27 -4.207 -15.837 4.298 227 HA SER 27 HA SER 27 -3.439 -13.015 4.054 228 HB2 SER 27 HB2 SER 27 -2.037 -13.395 5.873 229 HB3 SER 27 HB1 SER 27 -3.280 -14.613 6.144 230 HG SER 27 HG SER 27 -1.576 -15.872 6.169 231 H ILE 28 HN ILE 28 -1.907 -12.217 2.785 232 HA ILE 28 HA ILE 28 0.185 -13.957 1.641 233 HB ILE 28 HB ILE 28 -1.706 -14.027 0.010 234 HG12 ILE 28 HG12 ILE 28 -0.364 -13.296 -1.961 235 HG13 ILE 28 HG11 ILE 28 0.751 -12.473 -0.874 236 HG21 ILE 28 HG21 ILE 28 -2.439 -12.034 -1.114 237 HG22 ILE 28 HG22 ILE 28 -1.190 -11.062 -0.335 238 HG23 ILE 28 HG23 ILE 28 -2.529 -11.705 0.616 239 HD11 ILE 28 HD11 ILE 28 1.213 -14.968 -1.710 240 HD12 ILE 28 HD12 ILE 28 0.183 -15.365 -0.334 241 HD13 ILE 28 HD13 ILE 28 1.668 -14.442 -0.091 242 H GLU 29 HN GLU 29 2.085 -12.863 1.401 243 HA GLU 29 HA GLU 29 2.228 -10.119 2.411 244 HB2 GLU 29 HB2 GLU 29 4.338 -12.042 1.399 245 HB3 GLU 29 HB1 GLU 29 4.701 -10.435 2.029 246 HG2 GLU 29 HG2 GLU 29 3.674 -11.012 4.176 247 HG3 GLU 29 HG1 GLU 29 3.222 -12.599 3.555 248 H GLU 30 HN GLU 30 2.028 -8.369 1.171 249 HA GLU 30 HA GLU 30 3.154 -8.361 -1.573 250 HB2 GLU 30 HB2 GLU 30 0.730 -9.049 -1.744 251 HB3 GLU 30 HB1 GLU 30 0.307 -7.486 -1.043 252 HG2 GLU 30 HG2 GLU 30 1.274 -6.294 -2.880 253 HG3 GLU 30 HG1 GLU 30 2.024 -7.754 -3.521 254 H VAL 31 HN VAL 31 3.307 -6.184 -2.446 255 HA VAL 31 HA VAL 31 4.265 -4.274 -0.536 256 HB VAL 31 HB VAL 31 3.519 -3.862 -3.440 257 HG11 VAL 31 HG11 VAL 31 3.760 -1.746 -2.268 258 HG12 VAL 31 HG12 VAL 31 5.187 -2.003 -3.266 259 HG13 VAL 31 HG13 VAL 31 5.264 -2.286 -1.526 260 HG21 VAL 31 HG21 VAL 31 6.038 -4.809 -2.056 261 HG22 VAL 31 HG22 VAL 31 6.066 -4.125 -3.681 262 HG23 VAL 31 HG23 VAL 31 5.153 -5.599 -3.361 263 H ALA 32 HN ALA 32 3.311 -2.524 0.376 264 HA ALA 32 HA ALA 32 0.485 -2.431 0.704 265 HB1 ALA 32 HB1 ALA 32 2.476 -0.165 1.050 266 HB2 ALA 32 HB2 ALA 32 2.143 -1.401 2.263 267 HB3 ALA 32 HB3 ALA 32 0.878 -0.264 1.791 268 H ASP 33 HN ASP 33 2.607 -0.633 -1.496 269 HA ASP 33 HA ASP 33 0.668 1.211 -2.477 270 HB2 ASP 33 HB2 ASP 33 3.155 0.014 -3.723 271 HB3 ASP 33 HB1 ASP 33 2.199 1.258 -4.529 272 H ASP 34 HN ASP 34 0.728 -2.126 -2.750 273 HA ASP 34 HA ASP 34 -0.329 -2.474 -5.432 274 HB2 ASP 34 HB2 ASP 34 0.802 -4.275 -4.106 275 HB3 ASP 34 HB1 ASP 34 -0.581 -4.291 -3.015 276 H ILE 35 HN ILE 35 -2.017 -3.364 -2.453 277 HA ILE 35 HA ILE 35 -4.600 -2.630 -3.679 278 HB ILE 35 HB ILE 35 -5.610 -3.876 -1.915 279 HG12 ILE 35 HG12 ILE 35 -4.476 -2.888 0.029 280 HG13 ILE 35 HG11 ILE 35 -4.311 -4.640 0.093 281 HG21 ILE 35 HG21 ILE 35 -4.382 -6.004 -1.949 282 HG22 ILE 35 HG22 ILE 35 -2.925 -5.167 -2.484 283 HG23 ILE 35 HG23 ILE 35 -4.334 -5.243 -3.540 284 HD11 ILE 35 HD11 ILE 35 -2.215 -2.627 -0.747 285 HD12 ILE 35 HD12 ILE 35 -2.051 -4.356 -1.054 286 HD13 ILE 35 HD13 ILE 35 -2.150 -3.761 0.597 287 H LEU 36 HN LEU 36 -2.277 -0.977 -2.002 288 HA LEU 36 HA LEU 36 -4.276 0.754 -0.641 289 HB2 LEU 36 HB2 LEU 36 -2.179 -0.491 0.557 290 HB3 LEU 36 HB1 LEU 36 -1.403 1.025 0.095 291 HG LEU 36 HG LEU 36 -2.362 1.300 2.297 292 HD11 LEU 36 HD11 LEU 36 -4.370 2.703 0.536 293 HD12 LEU 36 HD12 LEU 36 -2.661 3.101 0.390 294 HD13 LEU 36 HD13 LEU 36 -3.488 3.320 1.930 295 HD21 LEU 36 HD21 LEU 36 -4.402 0.486 2.964 296 HD22 LEU 36 HD22 LEU 36 -4.273 -0.540 1.537 297 HD23 LEU 36 HD23 LEU 36 -5.195 0.960 1.465 298 HA PRO 37 HA PRO 37 -3.001 3.219 -4.300 299 HB2 PRO 37 HB2 PRO 37 -5.083 4.972 -3.042 300 HB3 PRO 37 HB1 PRO 37 -4.879 4.509 -4.744 301 HG2 PRO 37 HG2 PRO 37 -6.772 3.399 -3.230 302 HG3 PRO 37 HG1 PRO 37 -5.890 2.453 -4.442 303 HD2 PRO 37 HD2 PRO 37 -5.612 2.433 -1.466 304 HD3 PRO 37 HD1 PRO 37 -5.384 1.109 -2.633 305 H ASP 38 HN ASP 38 -1.567 4.880 -4.429 306 HA ASP 38 HA ASP 38 -0.051 5.744 -2.235 307 HB2 ASP 38 HB2 ASP 38 -0.537 7.023 -4.935 308 HB3 ASP 38 HB1 ASP 38 0.635 7.663 -3.782 309 H GLN 39 HN GLN 39 -3.219 6.582 -2.963 310 HA GLN 39 HA GLN 39 -3.396 9.318 -2.234 311 HB2 GLN 39 HB2 GLN 39 -5.350 7.034 -1.840 312 HB3 GLN 39 HB1 GLN 39 -5.757 8.725 -1.541 313 HG2 GLN 39 HG2 GLN 39 -5.225 9.292 -3.864 314 HG3 GLN 39 HG1 GLN 39 -4.743 7.625 -4.180 315 HE21 GLN 39 HE21 GLN 39 -7.337 9.732 -4.508 316 HE22 GLN 39 HE22 GLN 39 -8.594 8.594 -4.587 317 H TYR 40 HN TYR 40 -2.352 6.724 -0.360 318 HA TYR 40 HA TYR 40 -2.491 8.398 2.091 319 HB2 TYR 40 HB2 TYR 40 -3.678 5.631 1.807 320 HB3 TYR 40 HB1 TYR 40 -3.202 6.282 3.376 321 HD1 TYR 40 HD1 TYR 40 -4.253 8.381 4.226 322 HD2 TYR 40 HD2 TYR 40 -5.645 6.408 0.676 323 HE1 TYR 40 HE1 TYR 40 -6.360 9.673 4.342 324 HE2 TYR 40 HE2 TYR 40 -7.757 7.703 0.786 325 HH TYR 40 HH TYR 40 -9.031 9.031 2.107 326 H VAL 41 HN VAL 41 -0.618 6.850 0.014 327 HA VAL 41 HA VAL 41 1.305 5.896 2.120 328 HB VAL 41 HB VAL 41 1.401 4.828 -0.695 329 HG11 VAL 41 HG11 VAL 41 3.172 4.267 0.915 330 HG12 VAL 41 HG12 VAL 41 2.234 2.836 0.482 331 HG13 VAL 41 HG13 VAL 41 1.960 3.636 2.029 332 HG21 VAL 41 HG21 VAL 41 -0.925 4.531 -0.145 333 HG22 VAL 41 HG22 VAL 41 -0.528 3.966 1.476 334 HG23 VAL 41 HG23 VAL 41 -0.127 2.976 0.071 335 H ARG 42 HN ARG 42 0.670 8.203 -0.204 336 HA ARG 42 HA ARG 42 2.921 8.697 -1.717 337 HB2 ARG 42 HB2 ARG 42 2.529 11.227 -0.959 338 HB3 ARG 42 HB1 ARG 42 1.321 10.390 -1.932 339 HG2 ARG 42 HG2 ARG 42 0.028 9.843 0.072 340 HG3 ARG 42 HG1 ARG 42 1.262 10.569 1.099 341 HD2 ARG 42 HD2 ARG 42 -0.543 12.163 0.800 342 HD3 ARG 42 HD1 ARG 42 0.889 12.744 -0.051 343 HE ARG 42 HE ARG 42 -0.221 12.351 -2.123 344 HH11 ARG 42 HH21 ARG 42 -1.962 11.072 0.584 345 HH12 ARG 42 HH22 ARG 42 -3.410 10.799 -0.324 346 HH21 ARG 42 HH11 ARG 42 -2.098 12.001 -3.296 347 HH22 ARG 42 HH12 ARG 42 -3.487 11.326 -2.515 348 H LEU 43 HN LEU 43 2.592 9.677 1.702 349 HA LEU 43 HA LEU 43 5.528 10.129 1.847 350 HB2 LEU 43 HB2 LEU 43 3.153 10.930 3.523 351 HB3 LEU 43 HB1 LEU 43 4.748 10.881 4.272 352 HG LEU 43 HG LEU 43 5.609 12.378 2.493 353 HD11 LEU 43 HD11 LEU 43 3.883 13.546 1.070 354 HD12 LEU 43 HD12 LEU 43 2.712 12.343 1.611 355 HD13 LEU 43 HD13 LEU 43 4.121 11.845 0.673 356 HD21 LEU 43 HD21 LEU 43 3.173 13.360 4.007 357 HD22 LEU 43 HD22 LEU 43 4.343 14.418 3.217 358 HD23 LEU 43 HD23 LEU 43 4.847 13.394 4.562 359 H GLY 44 HN GLY 44 2.921 8.284 3.402 360 HA2 GLY 44 HA2 GLY 44 4.132 6.922 5.418 361 HA3 GLY 44 HA1 GLY 44 3.029 6.110 4.317 362 HA PRO 45 HA PRO 45 7.827 5.383 3.134 363 HB2 PRO 45 HB2 PRO 45 8.286 4.176 5.842 364 HB3 PRO 45 HB1 PRO 45 9.404 5.105 4.823 365 HG2 PRO 45 HG2 PRO 45 8.247 6.174 6.993 366 HG3 PRO 45 HG1 PRO 45 8.584 7.133 5.542 367 HD2 PRO 45 HD2 PRO 45 5.977 6.103 6.553 368 HD3 PRO 45 HD1 PRO 45 6.326 7.561 5.604 369 H LEU 46 HN LEU 46 5.117 3.924 4.373 370 HA LEU 46 HA LEU 46 5.827 1.135 4.301 371 HB2 LEU 46 HB2 LEU 46 3.073 2.336 3.869 372 HB3 LEU 46 HB1 LEU 46 3.457 0.748 4.531 373 HG LEU 46 HG LEU 46 4.177 3.390 5.846 374 HD11 LEU 46 HD11 LEU 46 2.442 2.685 7.518 375 HD12 LEU 46 HD12 LEU 46 1.971 1.390 6.417 376 HD13 LEU 46 HD13 LEU 46 1.777 3.075 5.932 377 HD21 LEU 46 HD21 LEU 46 4.529 1.752 7.817 378 HD22 LEU 46 HD22 LEU 46 5.758 1.766 6.554 379 HD23 LEU 46 HD23 LEU 46 4.550 0.483 6.593 380 H SER 47 HN SER 47 5.749 3.382 1.896 381 HA SER 47 HA SER 47 4.324 2.123 -0.233 382 HB2 SER 47 HB2 SER 47 5.786 3.496 -1.714 383 HB3 SER 47 HB1 SER 47 5.103 4.441 -0.394 384 HG SER 47 HG SER 47 7.681 3.235 -0.427 385 H ASN 48 HN ASN 48 7.729 1.817 0.771 386 HA ASN 48 HA ASN 48 8.115 -0.338 -1.254 387 HB2 ASN 48 HB2 ASN 48 10.022 1.154 0.574 388 HB3 ASN 48 HB1 ASN 48 10.520 -0.217 -0.417 389 HD21 ASN 48 HD21 ASN 48 11.642 2.371 -0.872 390 HD22 ASN 48 HD22 ASN 48 11.090 2.945 -2.371 391 H LYS 49 HN LYS 49 6.820 -0.206 1.729 392 HA LYS 49 HA LYS 49 8.267 -2.541 2.844 393 HB2 LYS 49 HB2 LYS 49 7.508 -0.562 4.271 394 HB3 LYS 49 HB1 LYS 49 5.868 -1.175 4.053 395 HG2 LYS 49 HG2 LYS 49 6.477 -2.265 6.032 396 HG3 LYS 49 HG1 LYS 49 6.926 -3.475 4.829 397 HD2 LYS 49 HD2 LYS 49 9.254 -2.723 4.889 398 HD3 LYS 49 HD1 LYS 49 8.829 -1.418 5.995 399 HE2 LYS 49 HE2 LYS 49 9.774 -3.276 7.253 400 HE3 LYS 49 HE1 LYS 49 8.060 -3.115 7.642 401 HZ1 LYS 49 HZ1 LYS 49 7.513 -4.962 6.395 402 HZ2 LYS 49 HZ2 LYS 49 8.996 -5.428 7.083 403 HZ3 LYS 49 HZ3 LYS 49 8.932 -4.904 5.468 404 H ILE 50 HN ILE 50 7.438 -4.541 3.031 405 HA ILE 50 HA ILE 50 5.019 -5.173 1.441 406 HB ILE 50 HB ILE 50 7.146 -6.934 2.687 407 HG12 ILE 50 HG12 ILE 50 6.562 -6.347 -0.229 408 HG13 ILE 50 HG11 ILE 50 7.773 -5.472 0.706 409 HG21 ILE 50 HG21 ILE 50 5.102 -8.193 2.596 410 HG22 ILE 50 HG22 ILE 50 6.066 -8.688 1.204 411 HG23 ILE 50 HG23 ILE 50 4.721 -7.568 0.993 412 HD11 ILE 50 HD11 ILE 50 8.978 -7.555 1.156 413 HD12 ILE 50 HD12 ILE 50 8.763 -7.357 -0.583 414 HD13 ILE 50 HD13 ILE 50 7.736 -8.479 0.310 415 H LEU 51 HN LEU 51 3.174 -5.036 2.566 416 HA LEU 51 HA LEU 51 3.130 -5.874 5.440 417 HB2 LEU 51 HB2 LEU 51 1.400 -4.063 3.764 418 HB3 LEU 51 HB1 LEU 51 0.766 -4.759 5.253 419 HG LEU 51 HG LEU 51 2.733 -3.833 6.479 420 HD11 LEU 51 HD11 LEU 51 4.426 -3.596 4.858 421 HD12 LEU 51 HD12 LEU 51 3.930 -1.936 5.164 422 HD13 LEU 51 HD13 LEU 51 3.358 -2.776 3.722 423 HD21 LEU 51 HD21 LEU 51 2.014 -1.400 6.213 424 HD22 LEU 51 HD22 LEU 51 0.722 -2.546 6.571 425 HD23 LEU 51 HD23 LEU 51 0.944 -1.954 4.924 426 H GLN 52 HN GLN 52 1.710 -7.424 6.150 427 HA GLN 52 HA GLN 52 1.015 -9.509 4.296 428 HB2 GLN 52 HB2 GLN 52 1.533 -9.856 6.725 429 HB3 GLN 52 HB1 GLN 52 -0.008 -9.095 7.118 430 HG2 GLN 52 HG2 GLN 52 -0.333 -11.497 7.117 431 HG3 GLN 52 HG1 GLN 52 -1.150 -10.834 5.703 432 HE21 GLN 52 HE21 GLN 52 -0.906 -12.601 4.250 433 HE22 GLN 52 HE22 GLN 52 0.603 -13.204 3.759 434 H THR 53 HN THR 53 -0.622 -9.437 2.914 435 HA THR 53 HA THR 53 -2.946 -7.650 3.435 436 HB THR 53 HB THR 53 -2.186 -9.200 0.938 437 HG1 THR 53 HG1 THR 53 -1.973 -6.441 1.112 438 HG21 THR 53 HG21 THR 53 -3.755 -7.653 -0.165 439 HG22 THR 53 HG22 THR 53 -4.130 -6.921 1.396 440 HG23 THR 53 HG23 THR 53 -4.573 -8.598 1.080 441 H ASN 54 HN ASN 54 -4.619 -8.582 4.447 442 HA ASN 54 HA ASN 54 -5.148 -11.496 4.052 443 HB2 ASN 54 HB2 ASN 54 -4.852 -10.666 6.386 444 HB3 ASN 54 HB1 ASN 54 -6.255 -9.620 6.157 445 HD21 ASN 54 HD21 ASN 54 -6.358 -11.619 8.146 446 HD22 ASN 54 HD22 ASN 54 -7.440 -12.833 7.666 447 H THR 55 HN THR 55 -6.332 -11.601 2.230 448 HA THR 55 HA THR 55 -8.640 -9.766 1.838 449 HB THR 55 HB THR 55 -7.555 -11.948 0.033 450 HG1 THR 55 HG1 THR 55 -7.249 -9.344 -0.706 451 HG21 THR 55 HG21 THR 55 -8.851 -10.589 -1.683 452 HG22 THR 55 HG22 THR 55 -9.588 -9.738 -0.326 453 HG23 THR 55 HG23 THR 55 -9.838 -11.473 -0.520 454 H TYR 56 HN TYR 56 -10.706 -10.431 2.118 455 HA TYR 56 HA TYR 56 -11.138 -13.236 3.065 456 HB2 TYR 56 HB2 TYR 56 -12.796 -10.722 3.423 457 HB3 TYR 56 HB1 TYR 56 -13.236 -12.318 4.036 458 HD1 TYR 56 HD2 TYR 56 -10.823 -9.530 4.327 459 HD2 TYR 56 HD1 TYR 56 -12.082 -13.319 5.908 460 HE1 TYR 56 HE2 TYR 56 -9.395 -9.171 6.322 461 HE2 TYR 56 HE1 TYR 56 -10.653 -12.960 7.902 462 HH TYR 56 HH TYR 56 -9.717 -10.718 9.109 463 H TYR 57 HN TYR 57 -12.326 -14.587 1.903 464 HA TYR 57 HA TYR 57 -13.901 -13.534 -0.429 465 HB2 TYR 57 HB2 TYR 57 -12.317 -16.104 -0.151 466 HB3 TYR 57 HB1 TYR 57 -13.404 -15.751 -1.495 467 HD1 TYR 57 HD1 TYR 57 -12.971 -13.707 -2.923 468 HD2 TYR 57 HD2 TYR 57 -10.109 -15.200 -0.089 469 HE1 TYR 57 HE1 TYR 57 -11.180 -12.420 -4.057 470 HE2 TYR 57 HE2 TYR 57 -8.317 -13.912 -1.223 471 HH TYR 57 HH TYR 57 -9.007 -11.978 -4.139 472 H SER 58 HN SER 58 -15.999 -13.761 -0.041 473 HA SER 58 HA SER 58 -16.996 -16.279 1.222 474 HB2 SER 58 HB2 SER 58 -18.092 -13.547 1.899 475 HB3 SER 58 HB1 SER 58 -18.511 -15.087 2.640 476 HG SER 58 HG SER 58 -15.884 -14.027 2.627 477 H ASP 59 HN ASP 59 -19.219 -16.728 0.695 478 HA ASP 59 HA ASP 59 -19.885 -16.316 -2.050 479 HB2 ASP 59 HB2 ASP 59 -20.729 -18.220 -0.711 480 HB3 ASP 59 HB1 ASP 59 -21.672 -17.105 0.276 481 H THR 60 HN THR 60 -21.137 -14.803 0.916 482 HA THR 60 HA THR 60 -23.049 -13.096 -0.398 483 HB THR 60 HB THR 60 -22.912 -11.789 1.779 484 HG1 THR 60 HG1 THR 60 -21.490 -12.409 3.275 485 HG21 THR 60 HG21 THR 60 -24.542 -13.515 1.685 486 HG22 THR 60 HG22 THR 60 -23.662 -13.790 3.189 487 HG23 THR 60 HG23 THR 60 -23.316 -14.781 1.772 488 H LEU 61 HN LEU 61 -19.721 -12.565 0.716 489 HA LEU 61 HA LEU 61 -19.541 -9.805 -0.014 490 HB2 LEU 61 HB2 LEU 61 -17.443 -11.968 0.281 491 HB3 LEU 61 HB1 LEU 61 -17.039 -10.275 -0.011 492 HG LEU 61 HG LEU 61 -18.704 -11.271 2.325 493 HD11 LEU 61 HD11 LEU 61 -16.504 -12.074 2.720 494 HD12 LEU 61 HD12 LEU 61 -16.588 -10.560 3.611 495 HD13 LEU 61 HD13 LEU 61 -15.766 -10.621 2.054 496 HD21 LEU 61 HD21 LEU 61 -17.806 -8.565 1.367 497 HD22 LEU 61 HD22 LEU 61 -17.859 -8.847 3.107 498 HD23 LEU 61 HD23 LEU 61 -19.318 -9.036 2.142 499 H HIS 62 HN HIS 62 -18.707 -12.749 -1.803 500 HA HIS 62 HA HIS 62 -17.651 -11.384 -4.107 501 HB2 HIS 62 HB2 HIS 62 -17.257 -13.806 -3.589 502 HB3 HIS 62 HB1 HIS 62 -18.946 -14.126 -3.980 503 HD1 HIS 62 HD1 HIS 62 -19.607 -14.180 -6.454 504 HD2 HIS 62 HD2 HIS 62 -15.648 -13.017 -5.858 505 HE1 HIS 62 HE1 HIS 62 -18.517 -14.150 -8.740 506 H LYS 63 HN LYS 63 -20.851 -12.622 -3.262 507 HA LYS 63 HA LYS 63 -22.140 -12.014 -5.750 508 HB2 LYS 63 HB2 LYS 63 -23.105 -13.484 -3.961 509 HB3 LYS 63 HB1 LYS 63 -23.354 -12.050 -2.965 510 HG2 LYS 63 HG2 LYS 63 -24.830 -11.090 -4.662 511 HG3 LYS 63 HG1 LYS 63 -24.539 -12.465 -5.724 512 HD2 LYS 63 HD2 LYS 63 -25.530 -13.974 -4.031 513 HD3 LYS 63 HD1 LYS 63 -25.839 -12.589 -2.985 514 HE2 LYS 63 HE2 LYS 63 -27.306 -11.603 -4.692 515 HE3 LYS 63 HE1 LYS 63 -26.971 -12.952 -5.778 516 HZ1 LYS 63 HZ1 LYS 63 -28.826 -12.794 -3.632 517 HZ2 LYS 63 HZ2 LYS 63 -27.754 -14.091 -3.399 518 HZ3 LYS 63 HZ3 LYS 63 -28.669 -13.988 -4.827 519 H SER 64 HN SER 64 -21.705 -10.179 -2.755 520 HA SER 64 HA SER 64 -23.145 -7.835 -3.726 521 HB2 SER 64 HB2 SER 64 -21.179 -7.916 -1.429 522 HB3 SER 64 HB1 SER 64 -22.551 -6.833 -1.640 523 HG SER 64 HG SER 64 -23.672 -8.280 -0.625 524 H ASN 65 HN ASN 65 -20.234 -9.157 -4.524 525 HA ASN 65 HA ASN 65 -18.372 -8.378 -5.698 526 HB2 ASN 65 HB2 ASN 65 -20.266 -7.160 -6.944 527 HB3 ASN 65 HB1 ASN 65 -19.813 -5.738 -6.007 528 HD21 ASN 65 HD21 ASN 65 -18.848 -4.523 -7.734 529 HD22 ASN 65 HD22 ASN 65 -17.465 -5.044 -8.567 530 H ILE 66 HN ILE 66 -18.340 -8.163 -2.896 531 HA ILE 66 HA ILE 66 -16.731 -5.656 -2.492 532 HB ILE 66 HB ILE 66 -18.373 -7.189 -0.454 533 HG12 ILE 66 HG12 ILE 66 -18.721 -4.381 -1.554 534 HG13 ILE 66 HG11 ILE 66 -19.619 -5.778 -2.147 535 HG21 ILE 66 HG21 ILE 66 -16.461 -4.849 -0.280 536 HG22 ILE 66 HG22 ILE 66 -16.521 -6.298 0.722 537 HG23 ILE 66 HG23 ILE 66 -17.753 -5.056 0.904 538 HD11 ILE 66 HD11 ILE 66 -20.993 -4.666 -0.501 539 HD12 ILE 66 HD12 ILE 66 -19.663 -4.637 0.656 540 HD13 ILE 66 HD13 ILE 66 -20.413 -6.171 0.213 541 H TYR 67 HN TYR 67 -14.675 -5.946 -1.903 542 HA TYR 67 HA TYR 67 -13.778 -8.693 -1.054 543 HB2 TYR 67 HB2 TYR 67 -12.289 -6.674 -2.747 544 HB3 TYR 67 HB1 TYR 67 -11.677 -8.246 -2.233 545 HD1 TYR 67 HD1 TYR 67 -12.792 -10.346 -3.009 546 HD2 TYR 67 HD2 TYR 67 -13.842 -6.484 -4.568 547 HE1 TYR 67 HE1 TYR 67 -13.915 -11.429 -4.937 548 HE2 TYR 67 HE2 TYR 67 -14.966 -7.568 -6.496 549 HH TYR 67 HH TYR 67 -14.607 -10.011 -7.696 550 HA PRO 68 HA PRO 68 -12.771 -5.739 2.362 551 HB2 PRO 68 HB2 PRO 68 -12.865 -8.273 3.916 552 HB3 PRO 68 HB1 PRO 68 -13.676 -6.727 4.237 553 HG2 PRO 68 HG2 PRO 68 -15.023 -8.856 3.351 554 HG3 PRO 68 HG1 PRO 68 -15.446 -7.213 2.841 555 HD2 PRO 68 HD2 PRO 68 -13.945 -9.328 1.324 556 HD3 PRO 68 HD1 PRO 68 -15.138 -8.154 0.734 557 H PHE 69 HN PHE 69 -10.762 -5.369 3.288 558 HA PHE 69 HA PHE 69 -8.716 -7.516 3.182 559 HB2 PHE 69 HB2 PHE 69 -7.130 -6.104 1.976 560 HB3 PHE 69 HB1 PHE 69 -8.584 -6.337 1.006 561 HD1 PHE 69 HD2 PHE 69 -6.689 -3.943 3.093 562 HD2 PHE 69 HD1 PHE 69 -10.123 -4.510 0.574 563 HE1 PHE 69 HE2 PHE 69 -7.009 -1.487 2.974 564 HE2 PHE 69 HE1 PHE 69 -10.440 -2.052 0.454 565 HZ PHE 69 HZ PHE 69 -8.885 -0.541 1.652 566 H ILE 70 HN ILE 70 -7.120 -7.275 4.690 567 HA ILE 70 HA ILE 70 -7.076 -4.785 6.346 568 HB ILE 70 HB ILE 70 -7.113 -7.614 7.437 569 HG12 ILE 70 HG12 ILE 70 -9.113 -5.354 7.772 570 HG13 ILE 70 HG11 ILE 70 -9.320 -6.684 6.634 571 HG21 ILE 70 HG21 ILE 70 -6.797 -4.881 8.707 572 HG22 ILE 70 HG22 ILE 70 -5.673 -6.237 8.788 573 HG23 ILE 70 HG23 ILE 70 -7.219 -6.323 9.633 574 HD11 ILE 70 HD11 ILE 70 -8.990 -8.239 8.668 575 HD12 ILE 70 HD12 ILE 70 -10.518 -7.370 8.557 576 HD13 ILE 70 HD13 ILE 70 -9.259 -6.799 9.649 577 H LEU 71 HN LEU 71 -5.059 -4.214 7.033 578 HA LEU 71 HA LEU 71 -2.771 -5.821 5.957 579 HB2 LEU 71 HB2 LEU 71 -2.838 -2.923 6.849 580 HB3 LEU 71 HB1 LEU 71 -1.514 -3.737 6.015 581 HG LEU 71 HG LEU 71 -4.300 -3.309 4.894 582 HD11 LEU 71 HD11 LEU 71 -3.337 -1.638 3.490 583 HD12 LEU 71 HD12 LEU 71 -1.697 -2.090 3.955 584 HD13 LEU 71 HD13 LEU 71 -2.751 -1.283 5.116 585 HD21 LEU 71 HD21 LEU 71 -3.530 -5.274 3.860 586 HD22 LEU 71 HD22 LEU 71 -1.844 -4.758 3.904 587 HD23 LEU 71 HD23 LEU 71 -2.963 -4.031 2.752 588 H TYR 72 HN TYR 72 -1.438 -6.786 7.331 589 HA TYR 72 HA TYR 72 -1.419 -5.935 10.212 590 HB2 TYR 72 HB2 TYR 72 -1.299 -8.725 9.039 591 HB3 TYR 72 HB1 TYR 72 -0.924 -8.355 10.722 592 HD1 TYR 72 HD2 TYR 72 -2.706 -7.056 12.078 593 HD2 TYR 72 HD1 TYR 72 -3.542 -9.085 8.385 594 HE1 TYR 72 HE2 TYR 72 -5.121 -7.086 12.641 595 HE2 TYR 72 HE1 TYR 72 -5.957 -9.114 8.948 596 HH TYR 72 HH TYR 72 -7.153 -7.666 11.983 597 H TYR 73 HN TYR 73 0.555 -5.855 11.197 598 HA TYR 73 HA TYR 73 2.990 -6.653 9.683 599 HB2 TYR 73 HB2 TYR 73 2.618 -4.327 9.052 600 HB3 TYR 73 HB1 TYR 73 2.441 -3.866 10.746 601 HD1 TYR 73 HD2 TYR 73 4.854 -5.467 8.367 602 HD2 TYR 73 HD1 TYR 73 4.330 -3.219 11.989 603 HE1 TYR 73 HE2 TYR 73 7.309 -5.162 8.534 604 HE2 TYR 73 HE1 TYR 73 6.783 -2.912 12.155 605 HH TYR 73 HH TYR 73 8.991 -4.482 9.867 606 H GLN 74 HN GLN 74 3.544 -8.165 11.185 607 HA GLN 74 HA GLN 74 4.329 -9.081 13.168 608 HB2 GLN 74 HB2 GLN 74 5.926 -7.057 12.698 609 HB3 GLN 74 HB1 GLN 74 5.132 -6.332 14.096 610 HG2 GLN 74 HG2 GLN 74 6.494 -9.048 14.058 611 HG3 GLN 74 HG1 GLN 74 7.172 -7.579 14.761 612 HE21 GLN 74 HE21 GLN 74 5.453 -10.351 15.577 613 HE22 GLN 74 HE22 GLN 74 4.721 -9.796 17.004 614 H LYS 75 HN LYS 75 1.902 -9.229 13.525 615 HA LYS 75 HA LYS 75 0.034 -9.038 14.927 616 HB2 LYS 75 HB2 LYS 75 2.334 -8.814 16.891 617 HB3 LYS 75 HB1 LYS 75 0.651 -9.058 17.370 618 HG2 LYS 75 HG2 LYS 75 0.557 -11.128 16.038 619 HG3 LYS 75 HG1 LYS 75 2.230 -10.886 15.534 620 HD2 LYS 75 HD2 LYS 75 2.938 -10.984 17.913 621 HD3 LYS 75 HD1 LYS 75 1.266 -11.304 18.377 622 HE2 LYS 75 HE2 LYS 75 2.904 -13.033 16.499 623 HE3 LYS 75 HE1 LYS 75 2.595 -13.397 18.197 624 HZ1 LYS 75 HZ1 LYS 75 0.956 -13.911 15.979 625 HZ2 LYS 75 HZ2 LYS 75 0.152 -12.808 16.990 626 HZ3 LYS 75 HZ3 LYS 75 0.681 -14.301 17.607 627 H GLN 76 HN GLN 76 0.745 -6.619 13.650 628 HA GLN 76 HA GLN 76 -0.346 -4.690 15.636 629 HB2 GLN 76 HB2 GLN 76 2.248 -4.534 15.281 630 HB3 GLN 76 HB1 GLN 76 1.820 -3.782 13.746 631 HG2 GLN 76 HG2 GLN 76 0.863 -2.873 16.479 632 HG3 GLN 76 HG1 GLN 76 2.117 -2.084 15.526 633 HE21 GLN 76 HE21 GLN 76 1.432 -1.021 13.485 634 HE22 GLN 76 HE22 GLN 76 -0.190 -0.586 13.250 635 H LEU 77 HN LEU 77 -2.148 -3.921 14.810 636 HA LEU 77 HA LEU 77 -2.915 -4.224 12.062 637 HB2 LEU 77 HB2 LEU 77 -4.573 -4.127 13.872 638 HB3 LEU 77 HB1 LEU 77 -4.082 -2.479 14.254 639 HG LEU 77 HG LEU 77 -4.824 -1.719 12.035 640 HD11 LEU 77 HD11 LEU 77 -6.254 -3.527 10.751 641 HD12 LEU 77 HD12 LEU 77 -5.245 -4.676 11.630 642 HD13 LEU 77 HD13 LEU 77 -4.504 -3.498 10.548 643 HD21 LEU 77 HD21 LEU 77 -6.422 -1.972 14.024 644 HD22 LEU 77 HD22 LEU 77 -7.020 -3.424 13.218 645 HD23 LEU 77 HD23 LEU 77 -7.164 -1.854 12.429 646 H ILE 78 HN ILE 78 -2.610 -2.882 10.371 647 HA ILE 78 HA ILE 78 -1.283 -0.246 10.871 648 HB ILE 78 HB ILE 78 -1.335 -1.994 8.399 649 HG12 ILE 78 HG12 ILE 78 0.029 -2.678 10.544 650 HG13 ILE 78 HG11 ILE 78 0.821 -2.725 8.973 651 HG21 ILE 78 HG21 ILE 78 -1.104 0.236 7.634 652 HG22 ILE 78 HG22 ILE 78 0.555 -0.349 7.753 653 HG23 ILE 78 HG23 ILE 78 -0.104 0.694 9.012 654 HD11 ILE 78 HD11 ILE 78 2.074 -0.801 9.392 655 HD12 ILE 78 HD12 ILE 78 2.028 -1.543 10.988 656 HD13 ILE 78 HD13 ILE 78 0.953 -0.200 10.610 657 H ALA 79 HN ALA 79 -3.824 -1.812 8.928 658 HA ALA 79 HA ALA 79 -5.407 0.626 9.017 659 HB1 ALA 79 HB1 ALA 79 -5.287 1.315 6.766 660 HB2 ALA 79 HB2 ALA 79 -4.492 -0.175 6.258 661 HB3 ALA 79 HB3 ALA 79 -3.607 1.013 7.214 662 H ILE 80 HN ILE 80 -7.467 0.382 7.958 663 HA ILE 80 HA ILE 80 -8.200 -2.418 7.199 664 HB ILE 80 HB ILE 80 -9.718 -0.614 9.104 665 HG12 ILE 80 HG12 ILE 80 -8.529 -3.366 9.546 666 HG13 ILE 80 HG11 ILE 80 -7.707 -1.870 9.987 667 HG21 ILE 80 HG21 ILE 80 -11.188 -2.708 9.255 668 HG22 ILE 80 HG22 ILE 80 -10.394 -3.244 7.776 669 HG23 ILE 80 HG23 ILE 80 -11.336 -1.754 7.781 670 HD11 ILE 80 HD11 ILE 80 -10.503 -2.470 10.957 671 HD12 ILE 80 HD12 ILE 80 -9.344 -1.310 11.605 672 HD13 ILE 80 HD13 ILE 80 -9.081 -3.039 11.831 673 H GLY 81 HN GLY 81 -9.657 -2.548 5.545 674 HA2 GLY 81 HA2 GLY 81 -11.440 -0.449 4.750 675 HA3 GLY 81 HA1 GLY 81 -9.979 -0.363 3.767 676 H PHE 82 HN PHE 82 -12.555 -0.964 2.765 677 HA PHE 82 HA PHE 82 -12.047 -3.691 1.664 678 HB2 PHE 82 HB2 PHE 82 -14.449 -4.226 1.802 679 HB3 PHE 82 HB1 PHE 82 -13.783 -3.931 3.407 680 HD1 PHE 82 HD1 PHE 82 -14.264 -1.811 4.598 681 HD2 PHE 82 HD2 PHE 82 -16.079 -2.734 0.813 682 HE1 PHE 82 HE1 PHE 82 -15.963 -0.046 4.983 683 HE2 PHE 82 HE2 PHE 82 -17.778 -0.965 1.201 684 HZ PHE 82 HZ PHE 82 -17.717 0.380 3.281 685 H ILE 83 HN ILE 83 -12.855 -4.011 -0.443 686 HA ILE 83 HA ILE 83 -13.084 -1.497 -1.992 687 HB ILE 83 HB ILE 83 -12.853 -4.390 -2.877 688 HG12 ILE 83 HG12 ILE 83 -10.798 -2.158 -2.938 689 HG13 ILE 83 HG11 ILE 83 -10.883 -3.364 -1.655 690 HG21 ILE 83 HG21 ILE 83 -13.906 -3.189 -4.648 691 HG22 ILE 83 HG22 ILE 83 -12.194 -3.224 -5.069 692 HG23 ILE 83 HG23 ILE 83 -12.903 -1.766 -4.378 693 HD11 ILE 83 HD11 ILE 83 -9.237 -4.058 -3.325 694 HD12 ILE 83 HD12 ILE 83 -10.444 -3.920 -4.604 695 HD13 ILE 83 HD13 ILE 83 -10.615 -5.157 -3.360 696 H ASP 84 HN ASP 84 -14.989 -0.708 -2.554 697 HA ASP 84 HA ASP 84 -17.450 -2.253 -2.121 698 HB2 ASP 84 HB2 ASP 84 -17.240 0.548 -3.230 699 HB3 ASP 84 HB1 ASP 84 -18.594 -0.182 -2.368 700 H GLU 85 HN GLU 85 -19.214 -1.761 -3.865 701 HA GLU 85 HA GLU 85 -18.539 -3.212 -6.229 702 HB2 GLU 85 HB2 GLU 85 -20.840 -3.017 -5.250 703 HB3 GLU 85 HB1 GLU 85 -20.892 -1.343 -5.802 704 HG2 GLU 85 HG2 GLU 85 -20.600 -2.073 -8.122 705 HG3 GLU 85 HG1 GLU 85 -20.473 -3.749 -7.596 706 H ASN 86 HN ASN 86 -18.504 0.203 -5.481 707 HA ASN 86 HA ASN 86 -18.180 0.998 -8.307 708 HB2 ASN 86 HB2 ASN 86 -18.097 2.562 -5.707 709 HB3 ASN 86 HB1 ASN 86 -17.889 3.294 -7.299 710 HD21 ASN 86 HD21 ASN 86 -19.950 1.002 -8.174 711 HD22 ASN 86 HD22 ASN 86 -21.441 1.726 -7.814 712 H HIS 87 HN HIS 87 -16.236 -0.775 -6.831 713 HA HIS 87 HA HIS 87 -13.918 -1.074 -6.682 714 HB2 HIS 87 HB2 HIS 87 -14.063 1.085 -8.808 715 HB3 HIS 87 HB1 HIS 87 -12.566 0.274 -8.355 716 HD1 HIS 87 HD1 HIS 87 -15.986 -0.467 -9.824 717 HD2 HIS 87 HD2 HIS 87 -12.257 -2.291 -9.432 718 HE1 HIS 87 HE1 HIS 87 -16.065 -2.573 -11.232 719 H ASP 88 HN ASP 88 -15.454 1.480 -5.447 720 HA ASP 88 HA ASP 88 -13.245 3.249 -4.786 721 HB2 ASP 88 HB2 ASP 88 -16.053 2.971 -3.694 722 HB3 ASP 88 HB1 ASP 88 -14.915 4.196 -3.131 723 H MET 89 HN MET 89 -12.053 3.325 -2.932 724 HA MET 89 HA MET 89 -12.144 0.907 -1.187 725 HB2 MET 89 HB2 MET 89 -10.027 3.012 -1.688 726 HB3 MET 89 HB1 MET 89 -9.874 1.757 -0.457 727 HG2 MET 89 HG2 MET 89 -10.144 0.020 -2.191 728 HG3 MET 89 HG1 MET 89 -10.291 1.271 -3.424 729 HE1 MET 89 HE1 MET 89 -6.862 0.145 -4.459 730 HE2 MET 89 HE2 MET 89 -8.559 0.416 -4.846 731 HE3 MET 89 HE3 MET 89 -8.100 -0.956 -3.841 732 H ASP 90 HN ASP 90 -13.277 1.151 0.615 733 HA ASP 90 HA ASP 90 -13.569 3.843 1.863 734 HB2 ASP 90 HB2 ASP 90 -15.581 2.379 1.358 735 HB3 ASP 90 HB1 ASP 90 -14.992 1.281 2.608 736 H PHE 91 HN PHE 91 -12.107 4.297 3.383 737 HA PHE 91 HA PHE 91 -10.849 2.087 4.943 738 HB2 PHE 91 HB2 PHE 91 -10.094 5.000 4.590 739 HB3 PHE 91 HB1 PHE 91 -9.221 3.862 5.618 740 HD1 PHE 91 HD1 PHE 91 -8.433 1.648 4.515 741 HD2 PHE 91 HD2 PHE 91 -9.557 5.147 2.296 742 HE1 PHE 91 HE1 PHE 91 -7.196 0.800 2.552 743 HE2 PHE 91 HE2 PHE 91 -8.311 4.300 0.326 744 HZ PHE 91 HZ PHE 91 -7.126 2.125 0.453 745 H LEU 92 HN LEU 92 -11.577 1.698 6.915 746 HA LEU 92 HA LEU 92 -13.251 3.723 8.331 747 HB2 LEU 92 HB2 LEU 92 -12.758 0.788 8.939 748 HB3 LEU 92 HB1 LEU 92 -13.935 1.828 9.741 749 HG LEU 92 HG LEU 92 -13.936 1.157 6.783 750 HD11 LEU 92 HD11 LEU 92 -15.947 -0.175 7.336 751 HD12 LEU 92 HD12 LEU 92 -15.706 0.183 9.046 752 HD13 LEU 92 HD13 LEU 92 -14.519 -0.781 8.172 753 HD21 LEU 92 HD21 LEU 92 -15.632 2.922 8.544 754 HD22 LEU 92 HD22 LEU 92 -16.364 2.131 7.148 755 HD23 LEU 92 HD23 LEU 92 -15.010 3.235 6.925 756 H TYR 93 HN TYR 93 -10.129 2.254 8.366 757 HA TYR 93 HA TYR 93 -9.394 3.901 10.690 758 HB2 TYR 93 HB2 TYR 93 -10.181 1.847 11.783 759 HB3 TYR 93 HB1 TYR 93 -9.096 0.886 10.779 760 HD1 TYR 93 HD2 TYR 93 -9.200 3.568 13.352 761 HD2 TYR 93 HD1 TYR 93 -6.788 0.653 11.326 762 HE1 TYR 93 HE2 TYR 93 -7.357 3.979 14.959 763 HE2 TYR 93 HE1 TYR 93 -4.943 1.062 12.933 764 HH TYR 93 HH TYR 93 -4.906 1.992 15.488 765 H LEU 94 HN LEU 94 -7.613 4.868 9.992 766 HA LEU 94 HA LEU 94 -5.630 3.287 8.404 767 HB2 LEU 94 HB2 LEU 94 -6.782 5.126 7.118 768 HB3 LEU 94 HB1 LEU 94 -6.091 6.279 8.262 769 HG LEU 94 HG LEU 94 -3.814 5.427 7.682 770 HD11 LEU 94 HD11 LEU 94 -3.882 4.167 5.327 771 HD12 LEU 94 HD12 LEU 94 -5.448 3.620 5.931 772 HD13 LEU 94 HD13 LEU 94 -3.979 3.278 6.842 773 HD21 LEU 94 HD21 LEU 94 -4.969 7.394 6.528 774 HD22 LEU 94 HD22 LEU 94 -5.290 6.287 5.193 775 HD23 LEU 94 HD23 LEU 94 -3.628 6.652 5.653 776 H HIS 95 HN HIS 95 -3.812 2.961 9.477 777 HA HIS 95 HA HIS 95 -2.806 5.066 11.338 778 HB2 HIS 95 HB2 HIS 95 -3.951 3.335 12.681 779 HB3 HIS 95 HB1 HIS 95 -2.921 2.102 11.954 780 HD1 HIS 95 HD1 HIS 95 -0.492 4.442 12.080 781 HD2 HIS 95 HD2 HIS 95 -2.584 2.625 15.188 782 HE1 HIS 95 HE1 HIS 95 0.970 4.653 14.127 783 H ASN 96 HN ASN 96 -0.892 5.644 10.581 784 HA ASN 96 HA ASN 96 0.772 3.721 9.044 785 HB2 ASN 96 HB2 ASN 96 0.441 5.988 8.117 786 HB3 ASN 96 HB1 ASN 96 1.153 6.686 9.572 787 HD21 ASN 96 HD21 ASN 96 2.486 7.322 7.271 788 HD22 ASN 96 HD22 ASN 96 3.918 6.423 7.121 789 H THR 97 HN THR 97 2.626 2.915 9.806 790 HA THR 97 HA THR 97 3.207 2.390 12.414 791 HB THR 97 HB THR 97 5.622 2.219 11.718 792 HG1 THR 97 HG1 THR 97 4.874 2.919 9.135 793 HG21 THR 97 HG21 THR 97 5.163 0.621 9.815 794 HG22 THR 97 HG22 THR 97 3.485 1.165 9.848 795 HG23 THR 97 HG23 THR 97 4.175 0.348 11.251 796 H VAL 98 HN VAL 98 3.746 5.448 10.819 797 HA VAL 98 HA VAL 98 5.524 6.572 12.797 798 HB VAL 98 HB VAL 98 3.601 8.113 11.043 799 HG11 VAL 98 HG11 VAL 98 5.044 9.240 12.840 800 HG12 VAL 98 HG12 VAL 98 5.194 9.873 11.201 801 HG13 VAL 98 HG13 VAL 98 6.433 8.796 11.847 802 HG21 VAL 98 HG21 VAL 98 5.424 8.065 9.328 803 HG22 VAL 98 HG22 VAL 98 4.721 6.474 9.621 804 HG23 VAL 98 HG23 VAL 98 6.283 6.889 10.324 805 H MET 99 HN MET 99 2.010 6.838 12.262 806 HA MET 99 HA MET 99 1.392 6.788 15.005 807 HB2 MET 99 HB2 MET 99 0.658 9.248 15.220 808 HB3 MET 99 HB1 MET 99 2.380 8.906 15.364 809 HG2 MET 99 HG2 MET 99 2.726 9.528 13.020 810 HG3 MET 99 HG1 MET 99 0.994 9.796 12.820 811 HE1 MET 99 HE1 MET 99 2.793 13.216 12.638 812 HE2 MET 99 HE2 MET 99 1.178 12.663 12.201 813 HE3 MET 99 HE3 MET 99 2.578 11.665 11.814 814 HA PRO 100 HA PRO 100 -2.702 6.118 13.392 815 HB2 PRO 100 HB2 PRO 100 -3.694 7.989 15.513 816 HB3 PRO 100 HB1 PRO 100 -4.222 6.337 15.131 817 HG2 PRO 100 HG2 PRO 100 -2.676 6.848 17.243 818 HG3 PRO 100 HG1 PRO 100 -2.477 5.371 16.283 819 HD2 PRO 100 HD2 PRO 100 -0.750 7.805 16.368 820 HD3 PRO 100 HD1 PRO 100 -0.325 6.109 16.057 821 H LEU 101 HN LEU 101 -3.785 7.026 11.728 822 HA LEU 101 HA LEU 101 -3.605 9.991 11.325 823 HB2 LEU 101 HB2 LEU 101 -4.246 7.791 9.338 824 HB3 LEU 101 HB1 LEU 101 -4.023 9.498 8.961 825 HG LEU 101 HG LEU 101 -1.913 7.662 10.140 826 HD11 LEU 101 HD11 LEU 101 -2.187 7.080 7.845 827 HD12 LEU 101 HD12 LEU 101 -0.814 8.183 7.881 828 HD13 LEU 101 HD13 LEU 101 -2.397 8.764 7.363 829 HD21 LEU 101 HD21 LEU 101 -0.475 9.748 9.419 830 HD22 LEU 101 HD22 LEU 101 -1.353 9.799 10.944 831 HD23 LEU 101 HD23 LEU 101 -2.006 10.617 9.525 832 H LEU 102 HN LEU 102 -5.898 7.441 10.332 833 HA LEU 102 HA LEU 102 -8.133 9.285 11.138 834 HB2 LEU 102 HB2 LEU 102 -8.181 7.058 9.077 835 HB3 LEU 102 HB1 LEU 102 -9.469 8.215 9.409 836 HG LEU 102 HG LEU 102 -6.701 8.935 8.395 837 HD11 LEU 102 HD11 LEU 102 -9.392 8.871 6.992 838 HD12 LEU 102 HD12 LEU 102 -8.034 7.787 6.682 839 HD13 LEU 102 HD13 LEU 102 -7.901 9.504 6.296 840 HD21 LEU 102 HD21 LEU 102 -9.144 10.541 9.157 841 HD22 LEU 102 HD22 LEU 102 -8.014 11.157 7.952 842 HD23 LEU 102 HD23 LEU 102 -7.458 10.824 9.589 843 H ASP 103 HN ASP 103 -9.404 8.626 12.728 844 HA ASP 103 HA ASP 103 -9.929 5.770 13.190 845 HB2 ASP 103 HB2 ASP 103 -7.837 6.222 14.470 846 HB3 ASP 103 HB1 ASP 103 -8.691 7.476 15.370 847 H GLN 104 HN GLN 104 -12.099 6.118 12.893 848 HA GLN 104 HA GLN 104 -13.468 8.136 14.644 849 HB2 GLN 104 HB2 GLN 104 -14.335 6.803 12.066 850 HB3 GLN 104 HB1 GLN 104 -15.403 7.794 13.057 851 HG2 GLN 104 HG2 GLN 104 -13.853 9.701 12.830 852 HG3 GLN 104 HG1 GLN 104 -12.780 8.713 11.838 853 HE21 GLN 104 HE21 GLN 104 -13.028 9.505 9.724 854 HE22 GLN 104 HE22 GLN 104 -14.521 9.768 8.963 855 H ARG 105 HN ARG 105 -14.286 7.263 16.409 856 HA ARG 105 HA ARG 105 -14.672 4.441 16.825 857 HB2 ARG 105 HB2 ARG 105 -15.592 6.888 18.360 858 HB3 ARG 105 HB1 ARG 105 -15.879 5.238 18.919 859 HG2 ARG 105 HG2 ARG 105 -13.455 4.794 18.876 860 HG3 ARG 105 HG1 ARG 105 -13.159 6.435 18.304 861 HD2 ARG 105 HD2 ARG 105 -14.553 5.793 20.920 862 HD3 ARG 105 HD1 ARG 105 -12.829 6.143 20.786 863 HE ARG 105 HE ARG 105 -14.251 8.258 19.524 864 HH11 ARG 105 HH21 ARG 105 -13.722 6.850 22.644 865 HH12 ARG 105 HH22 ARG 105 -13.985 8.338 23.492 866 HH21 ARG 105 HH11 ARG 105 -14.593 10.183 20.624 867 HH22 ARG 105 HH12 ARG 105 -14.477 10.217 22.351 868 H TYR 106 HN TYR 106 -16.781 7.077 15.838 869 HA TYR 106 HA TYR 106 -19.309 5.846 16.205 870 HB2 TYR 106 HB2 TYR 106 -18.445 7.700 13.959 871 HB3 TYR 106 HB1 TYR 106 -20.106 7.404 14.466 872 HD1 TYR 106 HD1 TYR 106 -20.906 8.190 16.679 873 HD2 TYR 106 HD2 TYR 106 -16.969 9.132 15.237 874 HE1 TYR 106 HE1 TYR 106 -20.697 9.965 18.401 875 HE2 TYR 106 HE2 TYR 106 -16.762 10.906 16.960 876 HH TYR 106 HH TYR 106 -18.805 12.377 18.338 877 H LEU 107 HN LEU 107 -17.163 5.806 13.374 878 HA LEU 107 HA LEU 107 -18.802 4.090 11.756 879 HB2 LEU 107 HB2 LEU 107 -15.807 4.585 11.730 880 HB3 LEU 107 HB1 LEU 107 -16.691 3.750 10.454 881 HG LEU 107 HG LEU 107 -17.200 6.599 11.360 882 HD11 LEU 107 HD11 LEU 107 -15.026 5.986 10.014 883 HD12 LEU 107 HD12 LEU 107 -16.011 7.351 9.487 884 HD13 LEU 107 HD13 LEU 107 -16.137 5.803 8.654 885 HD21 LEU 107 HD21 LEU 107 -18.461 6.455 9.000 886 HD22 LEU 107 HD22 LEU 107 -19.262 5.967 10.490 887 HD23 LEU 107 HD23 LEU 107 -18.566 4.744 9.427 888 H LEU 108 HN LEU 108 -16.165 3.428 14.021 889 HA LEU 108 HA LEU 108 -16.283 0.538 13.476 890 HB2 LEU 108 HB2 LEU 108 -14.766 2.093 15.599 891 HB3 LEU 108 HB1 LEU 108 -14.522 0.392 15.203 892 HG LEU 108 HG LEU 108 -14.126 2.709 13.283 893 HD11 LEU 108 HD11 LEU 108 -12.414 2.586 15.083 894 HD12 LEU 108 HD12 LEU 108 -11.735 2.201 13.500 895 HD13 LEU 108 HD13 LEU 108 -12.097 0.908 14.643 896 HD21 LEU 108 HD21 LEU 108 -12.905 0.715 12.036 897 HD22 LEU 108 HD22 LEU 108 -14.651 0.895 11.893 898 HD23 LEU 108 HD23 LEU 108 -13.978 -0.292 13.011 899 H THR 109 HN THR 109 -18.199 2.599 15.216 900 HA THR 109 HA THR 109 -18.733 0.640 17.416 901 HB THR 109 HB THR 109 -19.630 3.505 16.977 902 HG1 THR 109 HG1 THR 109 -17.550 2.299 18.204 903 HG21 THR 109 HG21 THR 109 -20.533 3.215 19.347 904 HG22 THR 109 HG22 THR 109 -20.353 1.478 19.100 905 HG23 THR 109 HG23 THR 109 -21.446 2.405 18.073 906 H GLY 110 HN GLY 110 -19.909 1.751 14.388 907 HA2 GLY 110 HA2 GLY 110 -21.700 0.936 13.088 908 HA3 GLY 110 HA1 GLY 110 -22.070 -0.201 14.388 909 H GLY 111 HN GLY 111 -21.789 3.082 15.302 910 HA2 GLY 111 HA2 GLY 111 -24.456 3.234 16.325 911 HA3 GLY 111 HA1 GLY 111 -23.356 4.598 16.147 912 H GLN 112 HN GLN 112 -25.480 5.644 15.611 913 HA GLN 112 HA GLN 112 -26.924 5.062 13.226 914 HB2 GLN 112 HB2 GLN 112 -27.787 6.541 15.006 915 HB3 GLN 112 HB1 GLN 112 -26.549 7.733 14.615 916 HG2 GLN 112 HG2 GLN 112 -27.462 8.028 12.382 917 HG3 GLN 112 HG1 GLN 112 -28.614 6.720 12.641 918 HE21 GLN 112 HE21 GLN 112 -29.553 9.309 11.964 919 HE22 GLN 112 HE22 GLN 112 -30.352 9.975 13.304 920 H LEU 113 HN LEU 113 -26.494 5.466 11.150 921 HA LEU 113 HA LEU 113 -23.896 6.431 10.334 922 HB2 LEU 113 HB2 LEU 113 -24.602 5.964 8.094 923 HB3 LEU 113 HB1 LEU 113 -25.292 4.701 9.109 924 HG LEU 113 HG LEU 113 -26.782 7.176 8.145 925 HD11 LEU 113 HD11 LEU 113 -26.188 5.388 6.434 926 HD12 LEU 113 HD12 LEU 113 -27.902 5.761 6.616 927 HD13 LEU 113 HD13 LEU 113 -27.233 4.304 7.352 928 HD21 LEU 113 HD21 LEU 113 -28.753 5.722 8.999 929 HD22 LEU 113 HD22 LEU 113 -27.772 6.544 10.208 930 HD23 LEU 113 HD23 LEU 113 -27.527 4.825 9.895 931 H GLU 114 HN GLU 114 -23.362 8.358 9.345 932 HA GLU 114 HA GLU 114 -24.957 10.669 10.073 933 HB2 GLU 114 HB2 GLU 114 -22.470 10.397 8.364 934 HB3 GLU 114 HB1 GLU 114 -23.159 11.935 8.883 935 HG2 GLU 114 HG2 GLU 114 -22.257 9.734 10.764 936 HG3 GLU 114 HG1 GLU 114 -21.301 11.161 10.366 937 H HIS 115 HN HIS 115 -25.170 12.429 8.291 938 HA HIS 115 HA HIS 115 -26.415 13.163 6.461 939 HB2 HIS 115 HB2 HIS 115 -25.145 10.704 5.229 940 HB3 HIS 115 HB1 HIS 115 -26.009 11.945 4.322 941 HD1 HIS 115 HD1 HIS 115 -22.811 11.304 6.152 942 HD2 HIS 115 HD2 HIS 115 -24.655 14.463 4.150 943 HE1 HIS 115 HE1 HIS 115 -21.032 13.077 5.815 944 H HIS 116 HN HIS 116 -27.844 11.911 4.517 945 HA HIS 116 HA HIS 116 -29.593 9.888 5.797 946 HB2 HIS 116 HB2 HIS 116 -31.618 11.277 5.206 947 HB3 HIS 116 HB1 HIS 116 -30.650 11.925 6.530 948 HD1 HIS 116 HD1 HIS 116 -29.227 14.067 6.039 949 HD2 HIS 116 HD2 HIS 116 -31.621 12.856 2.847 950 HE1 HIS 116 HE1 HIS 116 -29.259 15.994 4.395 951 H HIS 117 HN HIS 117 -30.830 8.729 4.292 952 HA HIS 117 HA HIS 117 -29.934 9.004 1.450 953 HB2 HIS 117 HB2 HIS 117 -31.072 6.694 3.048 954 HB3 HIS 117 HB1 HIS 117 -30.883 6.637 1.297 955 HD1 HIS 117 HD1 HIS 117 -28.854 6.889 4.481 956 HD2 HIS 117 HD2 HIS 117 -28.236 6.295 0.401 957 HE1 HIS 117 HE1 HIS 117 -26.424 6.226 4.213 958 H HIS 118 HN HIS 118 -32.326 10.194 3.215 959 HA HIS 118 HA HIS 118 -34.773 9.363 2.013 960 HB2 HIS 118 HB2 HIS 118 -33.887 11.996 3.219 961 HB3 HIS 118 HB1 HIS 118 -35.532 11.734 2.639 962 HD1 HIS 118 HD1 HIS 118 -36.351 9.107 3.609 963 HD2 HIS 118 HD2 HIS 118 -33.883 11.529 5.936 964 HE1 HIS 118 HE1 HIS 118 -36.600 8.299 5.995 965 H HIS 119 HN HIS 119 -32.439 11.857 1.072 966 HA HIS 119 HA HIS 119 -34.009 12.527 -1.342 967 HB2 HIS 119 HB2 HIS 119 -31.433 13.601 -0.176 968 HB3 HIS 119 HB1 HIS 119 -32.100 14.154 -1.714 969 HD1 HIS 119 HD1 HIS 119 -32.856 14.108 1.988 970 HD2 HIS 119 HD2 HIS 119 -34.346 15.837 -1.500 971 HE1 HIS 119 HE1 HIS 119 -34.576 15.820 2.715 972 H HIS 120 HN HIS 120 -33.393 12.076 -3.407 973 HA HIS 120 HA HIS 120 -32.444 10.830 -5.137 974 HB2 HIS 120 HB2 HIS 120 -29.995 11.438 -3.459 975 HB3 HIS 120 HB1 HIS 120 -29.914 10.671 -5.043 976 HD1 HIS 120 HD1 HIS 120 -30.980 13.910 -3.389 977 HD2 HIS 120 HD2 HIS 120 -30.264 12.420 -7.218 978 HE1 HIS 120 HE1 HIS 120 -31.039 15.900 -4.956 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -8.634 -4.681 20.190 2 H2 MET 1 HT2 MET 1 -7.962 -5.109 21.690 3 H3 MET 1 HT3 MET 1 -9.585 -4.619 21.591 4 HA MET 1 HA MET 1 -8.584 -7.000 20.156 5 HB2 MET 1 HB2 MET 1 -9.644 -6.773 22.981 6 HB3 MET 1 HB1 MET 1 -9.573 -8.291 22.085 7 HG2 MET 1 HG2 MET 1 -7.154 -8.081 21.843 8 HG3 MET 1 HG1 MET 1 -7.187 -6.503 22.627 9 HE1 MET 1 HE1 MET 1 -7.930 -10.107 22.707 10 HE2 MET 1 HE2 MET 1 -9.290 -9.853 23.798 11 HE3 MET 1 HE3 MET 1 -7.833 -10.646 24.389 12 H THR 2 HN THR 2 -10.666 -8.590 20.431 13 HA THR 2 HA THR 2 -12.762 -8.966 19.433 14 HB THR 2 HB THR 2 -14.576 -7.483 20.452 15 HG1 THR 2 HG1 THR 2 -13.483 -6.413 22.402 16 HG21 THR 2 HG21 THR 2 -14.106 -8.393 22.791 17 HG22 THR 2 HG22 THR 2 -12.582 -8.998 22.144 18 HG23 THR 2 HG23 THR 2 -14.111 -9.585 21.491 19 H LEU 3 HN LEU 3 -10.885 -6.775 18.315 20 HA LEU 3 HA LEU 3 -12.495 -4.788 17.038 21 HB2 LEU 3 HB2 LEU 3 -10.006 -4.669 17.183 22 HB3 LEU 3 HB1 LEU 3 -9.899 -6.025 16.061 23 HG LEU 3 HG LEU 3 -11.111 -4.683 14.352 24 HD11 LEU 3 HD11 LEU 3 -12.430 -3.113 15.457 25 HD12 LEU 3 HD12 LEU 3 -11.079 -2.102 14.955 26 HD13 LEU 3 HD13 LEU 3 -11.164 -2.700 16.614 27 HD21 LEU 3 HD21 LEU 3 -8.663 -4.686 14.352 28 HD22 LEU 3 HD22 LEU 3 -8.640 -3.368 15.525 29 HD23 LEU 3 HD23 LEU 3 -9.259 -3.090 13.897 30 H GLU 4 HN GLU 4 -11.479 -8.028 16.059 31 HA GLU 4 HA GLU 4 -12.470 -8.026 13.399 32 HB2 GLU 4 HB2 GLU 4 -12.261 -10.264 15.436 33 HB3 GLU 4 HB1 GLU 4 -12.626 -10.528 13.731 34 HG2 GLU 4 HG2 GLU 4 -10.497 -9.490 13.090 35 HG3 GLU 4 HG1 GLU 4 -10.140 -9.140 14.780 36 H LEU 5 HN LEU 5 -14.080 -8.698 16.472 37 HA LEU 5 HA LEU 5 -16.598 -9.532 15.378 38 HB2 LEU 5 HB2 LEU 5 -15.717 -8.399 18.026 39 HB3 LEU 5 HB1 LEU 5 -17.429 -8.677 17.707 40 HG LEU 5 HG LEU 5 -16.252 -10.600 18.844 41 HD11 LEU 5 HD11 LEU 5 -18.276 -10.725 17.078 42 HD12 LEU 5 HD12 LEU 5 -17.556 -12.176 17.769 43 HD13 LEU 5 HD13 LEU 5 -17.084 -11.647 16.157 44 HD21 LEU 5 HD21 LEU 5 -14.623 -11.892 17.666 45 HD22 LEU 5 HD22 LEU 5 -14.116 -10.213 17.477 46 HD23 LEU 5 HD23 LEU 5 -14.937 -11.042 16.154 47 H GLN 6 HN GLN 6 -15.338 -6.364 16.333 48 HA GLN 6 HA GLN 6 -17.784 -4.922 15.848 49 HB2 GLN 6 HB2 GLN 6 -14.886 -4.039 15.892 50 HB3 GLN 6 HB1 GLN 6 -16.242 -2.920 15.751 51 HG2 GLN 6 HG2 GLN 6 -17.144 -3.709 17.889 52 HG3 GLN 6 HG1 GLN 6 -15.838 -4.887 18.025 53 HE21 GLN 6 HE21 GLN 6 -14.117 -2.553 16.681 54 HE22 GLN 6 HE22 GLN 6 -13.691 -1.615 18.029 55 H LEU 7 HN LEU 7 -14.864 -5.418 13.863 56 HA LEU 7 HA LEU 7 -15.848 -3.963 11.599 57 HB2 LEU 7 HB2 LEU 7 -13.441 -4.567 11.950 58 HB3 LEU 7 HB1 LEU 7 -13.857 -6.247 11.615 59 HG LEU 7 HG LEU 7 -14.743 -5.530 9.379 60 HD11 LEU 7 HD11 LEU 7 -13.792 -2.862 10.398 61 HD12 LEU 7 HD12 LEU 7 -15.259 -3.258 9.501 62 HD13 LEU 7 HD13 LEU 7 -13.710 -3.203 8.669 63 HD21 LEU 7 HD21 LEU 7 -11.853 -5.057 10.117 64 HD22 LEU 7 HD22 LEU 7 -12.411 -4.969 8.444 65 HD23 LEU 7 HD23 LEU 7 -12.577 -6.472 9.351 66 H LYS 8 HN LYS 8 -15.968 -7.391 12.486 67 HA LYS 8 HA LYS 8 -17.124 -8.391 10.079 68 HB2 LYS 8 HB2 LYS 8 -16.233 -9.804 11.958 69 HB3 LYS 8 HB1 LYS 8 -17.649 -9.355 12.907 70 HG2 LYS 8 HG2 LYS 8 -19.129 -10.349 11.226 71 HG3 LYS 8 HG1 LYS 8 -17.740 -10.757 10.220 72 HD2 LYS 8 HD2 LYS 8 -16.862 -12.201 12.034 73 HD3 LYS 8 HD1 LYS 8 -18.275 -11.813 13.015 74 HE2 LYS 8 HE2 LYS 8 -19.746 -12.787 11.286 75 HE3 LYS 8 HE1 LYS 8 -18.334 -13.176 10.306 76 HZ1 LYS 8 HZ1 LYS 8 -18.556 -14.134 13.088 77 HZ2 LYS 8 HZ2 LYS 8 -17.612 -14.753 11.818 78 HZ3 LYS 8 HZ3 LYS 8 -19.295 -14.982 11.817 79 H HIS 9 HN HIS 9 -18.627 -7.193 13.058 80 HA HIS 9 HA HIS 9 -21.335 -7.497 12.098 81 HB2 HIS 9 HB2 HIS 9 -20.658 -7.362 14.516 82 HB3 HIS 9 HB1 HIS 9 -20.330 -5.647 14.268 83 HD1 HIS 9 HD1 HIS 9 -22.331 -4.062 14.097 84 HD2 HIS 9 HD2 HIS 9 -23.449 -8.073 14.296 85 HE1 HIS 9 HE1 HIS 9 -24.841 -4.090 14.436 86 H TYR 10 HN TYR 10 -19.040 -4.787 12.184 87 HA TYR 10 HA TYR 10 -20.848 -2.758 11.297 88 HB2 TYR 10 HB2 TYR 10 -18.644 -2.190 12.198 89 HB3 TYR 10 HB1 TYR 10 -17.861 -3.021 10.856 90 HD1 TYR 10 HD1 TYR 10 -20.024 -0.136 11.749 91 HD2 TYR 10 HD2 TYR 10 -17.607 -1.980 8.715 92 HE1 TYR 10 HE1 TYR 10 -20.164 1.928 10.381 93 HE2 TYR 10 HE2 TYR 10 -17.750 0.084 7.346 94 HH TYR 10 HH TYR 10 -18.264 2.328 7.457 95 H ILE 11 HN ILE 11 -18.591 -4.793 9.426 96 HA ILE 11 HA ILE 11 -19.344 -3.759 6.864 97 HB ILE 11 HB ILE 11 -18.159 -6.425 7.683 98 HG12 ILE 11 HG12 ILE 11 -16.903 -3.985 6.385 99 HG13 ILE 11 HG11 ILE 11 -16.823 -4.343 8.109 100 HG21 ILE 11 HG21 ILE 11 -17.473 -6.474 5.200 101 HG22 ILE 11 HG22 ILE 11 -18.714 -5.247 4.955 102 HG23 ILE 11 HG23 ILE 11 -19.157 -6.841 5.565 103 HD11 ILE 11 HD11 ILE 11 -15.753 -6.549 7.532 104 HD12 ILE 11 HD12 ILE 11 -14.782 -5.148 7.078 105 HD13 ILE 11 HD13 ILE 11 -15.695 -6.021 5.850 106 H THR 12 HN THR 12 -20.501 -6.599 8.681 107 HA THR 12 HA THR 12 -22.340 -7.472 6.641 108 HB THR 12 HB THR 12 -23.405 -8.740 8.572 109 HG1 THR 12 HG1 THR 12 -22.662 -8.410 10.536 110 HG21 THR 12 HG21 THR 12 -21.500 -10.243 8.819 111 HG22 THR 12 HG22 THR 12 -20.398 -8.969 8.292 112 HG23 THR 12 HG23 THR 12 -21.569 -9.648 7.159 113 H ASN 13 HN ASN 13 -22.815 -5.546 9.602 114 HA ASN 13 HA ASN 13 -25.642 -5.142 9.179 115 HB2 ASN 13 HB2 ASN 13 -24.629 -4.830 11.389 116 HB3 ASN 13 HB1 ASN 13 -23.630 -3.519 10.764 117 HD21 ASN 13 HD21 ASN 13 -25.112 -2.655 12.812 118 HD22 ASN 13 HD22 ASN 13 -26.498 -1.811 12.312 119 H LEU 14 HN LEU 14 -22.757 -3.296 8.311 120 HA LEU 14 HA LEU 14 -24.075 -0.969 7.333 121 HB2 LEU 14 HB2 LEU 14 -21.657 -1.006 7.720 122 HB3 LEU 14 HB1 LEU 14 -21.456 -2.236 6.475 123 HG LEU 14 HG LEU 14 -22.218 -0.671 4.748 124 HD11 LEU 14 HD11 LEU 14 -23.817 0.714 5.766 125 HD12 LEU 14 HD12 LEU 14 -22.447 1.806 5.579 126 HD13 LEU 14 HD13 LEU 14 -22.779 1.069 7.147 127 HD21 LEU 14 HD21 LEU 14 -19.801 -0.683 5.596 128 HD22 LEU 14 HD22 LEU 14 -20.210 0.791 6.475 129 HD23 LEU 14 HD23 LEU 14 -20.312 0.757 4.715 130 H PHE 15 HN PHE 15 -23.088 -3.945 5.646 131 HA PHE 15 HA PHE 15 -24.566 -3.022 3.214 132 HB2 PHE 15 HB2 PHE 15 -22.509 -5.184 3.709 133 HB3 PHE 15 HB1 PHE 15 -23.423 -5.078 2.204 134 HD1 PHE 15 HD1 PHE 15 -23.146 -3.171 0.692 135 HD2 PHE 15 HD2 PHE 15 -20.817 -3.538 4.281 136 HE1 PHE 15 HE1 PHE 15 -21.586 -1.436 -0.145 137 HE2 PHE 15 HE2 PHE 15 -19.256 -1.801 3.447 138 HZ PHE 15 HZ PHE 15 -19.641 -0.749 1.233 139 H ASN 16 HN ASN 16 -25.132 -4.731 5.986 140 HA ASN 16 HA ASN 16 -26.770 -6.259 6.657 141 HB2 ASN 16 HB2 ASN 16 -28.085 -5.538 4.018 142 HB3 ASN 16 HB1 ASN 16 -28.872 -6.244 5.430 143 HD21 ASN 16 HD21 ASN 16 -27.698 -4.680 7.509 144 HD22 ASN 16 HD22 ASN 16 -28.188 -3.066 7.317 145 H LEU 17 HN LEU 17 -24.509 -7.336 5.397 146 HA LEU 17 HA LEU 17 -25.505 -9.400 3.548 147 HB2 LEU 17 HB2 LEU 17 -22.698 -9.013 4.593 148 HB3 LEU 17 HB1 LEU 17 -23.185 -10.001 3.214 149 HG LEU 17 HG LEU 17 -23.789 -7.046 3.321 150 HD11 LEU 17 HD11 LEU 17 -21.741 -6.667 2.011 151 HD12 LEU 17 HD12 LEU 17 -21.314 -8.368 2.182 152 HD13 LEU 17 HD13 LEU 17 -21.357 -7.322 3.602 153 HD21 LEU 17 HD21 LEU 17 -25.010 -8.296 1.630 154 HD22 LEU 17 HD22 LEU 17 -23.529 -9.086 1.090 155 HD23 LEU 17 HD23 LEU 17 -23.754 -7.357 0.831 156 HA PRO 18 HA PRO 18 -26.108 -12.655 6.526 157 HB2 PRO 18 HB2 PRO 18 -24.348 -14.301 4.740 158 HB3 PRO 18 HB1 PRO 18 -25.958 -14.677 5.384 159 HG2 PRO 18 HG2 PRO 18 -25.623 -13.933 2.849 160 HG3 PRO 18 HG1 PRO 18 -27.035 -13.413 3.785 161 HD2 PRO 18 HD2 PRO 18 -24.641 -11.831 2.957 162 HD3 PRO 18 HD1 PRO 18 -26.320 -11.317 3.227 163 H ARG 19 HN ARG 19 -25.065 -12.789 8.436 164 HA ARG 19 HA ARG 19 -22.097 -12.637 8.552 165 HB2 ARG 19 HB2 ARG 19 -22.428 -12.171 10.934 166 HB3 ARG 19 HB1 ARG 19 -23.437 -11.097 9.968 167 HG2 ARG 19 HG2 ARG 19 -25.377 -12.595 10.338 168 HG3 ARG 19 HG1 ARG 19 -24.371 -13.648 11.331 169 HD2 ARG 19 HD2 ARG 19 -23.944 -11.774 12.884 170 HD3 ARG 19 HD1 ARG 19 -24.969 -10.733 11.898 171 HE ARG 19 HE ARG 19 -26.889 -11.875 12.736 172 HH11 ARG 19 HH21 ARG 19 -23.920 -13.373 13.689 173 HH12 ARG 19 HH22 ARG 19 -24.672 -14.389 14.872 174 HH21 ARG 19 HH11 ARG 19 -27.864 -13.187 14.278 175 HH22 ARG 19 HH12 ARG 19 -26.898 -14.285 15.205 176 H ASP 20 HN ASP 20 -24.748 -14.824 9.090 177 HA ASP 20 HA ASP 20 -23.178 -16.734 10.663 178 HB2 ASP 20 HB2 ASP 20 -25.908 -16.882 9.352 179 HB3 ASP 20 HB1 ASP 20 -25.216 -18.204 10.293 180 H GLU 21 HN GLU 21 -23.084 -15.862 7.498 181 HA GLU 21 HA GLU 21 -23.000 -18.450 6.195 182 HB2 GLU 21 HB2 GLU 21 -23.483 -16.421 4.927 183 HB3 GLU 21 HB1 GLU 21 -21.907 -15.756 5.338 184 HG2 GLU 21 HG2 GLU 21 -21.923 -16.708 3.057 185 HG3 GLU 21 HG1 GLU 21 -20.805 -17.589 4.097 186 H LYS 22 HN LYS 22 -21.113 -19.498 5.346 187 HA LYS 22 HA LYS 22 -18.917 -19.619 7.221 188 HB2 LYS 22 HB2 LYS 22 -19.328 -20.833 4.477 189 HB3 LYS 22 HB1 LYS 22 -17.928 -21.175 5.494 190 HG2 LYS 22 HG2 LYS 22 -19.387 -22.035 7.264 191 HG3 LYS 22 HG1 LYS 22 -20.814 -21.613 6.321 192 HD2 LYS 22 HD2 LYS 22 -20.565 -23.901 5.854 193 HD3 LYS 22 HD1 LYS 22 -19.759 -23.146 4.480 194 HE2 LYS 22 HE2 LYS 22 -18.412 -24.999 5.438 195 HE3 LYS 22 HE1 LYS 22 -17.575 -23.454 5.569 196 HZ1 LYS 22 HZ1 LYS 22 -17.878 -25.101 7.611 197 HZ2 LYS 22 HZ2 LYS 22 -19.304 -24.196 7.790 198 HZ3 LYS 22 HZ3 LYS 22 -17.793 -23.418 7.800 199 H TRP 23 HN TRP 23 -17.048 -18.510 7.196 200 HA TRP 23 HA TRP 23 -16.464 -16.750 4.847 201 HB2 TRP 23 HB2 TRP 23 -16.617 -16.217 7.644 202 HB3 TRP 23 HB1 TRP 23 -14.912 -16.078 7.221 203 HD1 TRP 23 HD1 TRP 23 -14.751 -14.750 4.599 204 HE1 TRP 23 HE1 TRP 23 -15.751 -12.430 4.089 205 HE3 TRP 23 HE3 TRP 23 -18.230 -14.474 8.313 206 HZ2 TRP 23 HZ2 TRP 23 -17.773 -10.686 5.134 207 HZ3 TRP 23 HZ3 TRP 23 -19.679 -12.475 8.530 208 HH2 TRP 23 HH2 TRP 23 -19.450 -10.591 6.943 209 H GLU 24 HN GLU 24 -14.541 -16.849 3.842 210 HA GLU 24 HA GLU 24 -12.618 -18.964 4.745 211 HB2 GLU 24 HB2 GLU 24 -13.719 -19.337 2.537 212 HB3 GLU 24 HB1 GLU 24 -13.031 -17.814 1.974 213 HG2 GLU 24 HG2 GLU 24 -11.592 -19.632 1.245 214 HG3 GLU 24 HG1 GLU 24 -10.748 -18.718 2.494 215 H CYS 25 HN CYS 25 -10.795 -18.162 5.559 216 HA CYS 25 HA CYS 25 -10.035 -15.344 5.034 217 HB2 CYS 25 HB2 CYS 25 -8.610 -15.530 6.933 218 HB3 CYS 25 HB1 CYS 25 -10.082 -16.401 7.363 219 HG CYS 25 HG CYS 25 -7.316 -17.656 6.989 220 H GLU 26 HN GLU 26 -8.233 -14.755 3.911 221 HA GLU 26 HA GLU 26 -6.350 -16.890 2.991 222 HB2 GLU 26 HB2 GLU 26 -8.082 -16.351 1.217 223 HB3 GLU 26 HB1 GLU 26 -7.429 -14.711 1.185 224 HG2 GLU 26 HG2 GLU 26 -5.207 -15.594 0.632 225 HG3 GLU 26 HG1 GLU 26 -5.831 -17.239 0.694 226 H SER 27 HN SER 27 -4.463 -16.271 3.849 227 HA SER 27 HA SER 27 -3.821 -13.372 4.119 228 HB2 SER 27 HB2 SER 27 -2.543 -15.809 5.359 229 HB3 SER 27 HB1 SER 27 -2.038 -14.146 5.647 230 HG SER 27 HG SER 27 -4.645 -15.184 6.110 231 H ILE 28 HN ILE 28 -2.400 -12.464 2.811 232 HA ILE 28 HA ILE 28 -0.240 -14.065 1.570 233 HB ILE 28 HB ILE 28 -0.749 -13.381 -0.681 234 HG12 ILE 28 HG12 ILE 28 -1.617 -11.134 -0.284 235 HG13 ILE 28 HG11 ILE 28 -2.808 -12.053 -1.194 236 HG21 ILE 28 HG21 ILE 28 -2.835 -14.552 -1.064 237 HG22 ILE 28 HG22 ILE 28 -3.334 -14.276 0.602 238 HG23 ILE 28 HG23 ILE 28 -1.979 -15.351 0.259 239 HD11 ILE 28 HD11 ILE 28 -2.877 -11.210 1.695 240 HD12 ILE 28 HD12 ILE 28 -3.815 -12.606 1.160 241 HD13 ILE 28 HD13 ILE 28 -4.112 -11.018 0.452 242 H GLU 29 HN GLU 29 1.391 -12.634 0.570 243 HA GLU 29 HA GLU 29 1.537 -10.022 2.017 244 HB2 GLU 29 HB2 GLU 29 3.650 -11.797 0.784 245 HB3 GLU 29 HB1 GLU 29 3.987 -10.185 1.421 246 HG2 GLU 29 HG2 GLU 29 3.149 -10.841 3.620 247 HG3 GLU 29 HG1 GLU 29 2.710 -12.434 3.006 248 H GLU 30 HN GLU 30 1.356 -8.188 0.924 249 HA GLU 30 HA GLU 30 2.042 -8.092 -1.975 250 HB2 GLU 30 HB2 GLU 30 -0.623 -7.320 -0.772 251 HB3 GLU 30 HB1 GLU 30 -0.088 -6.765 -2.359 252 HG2 GLU 30 HG2 GLU 30 0.140 -9.082 -3.122 253 HG3 GLU 30 HG1 GLU 30 -0.315 -9.671 -1.525 254 H VAL 31 HN VAL 31 2.472 -5.958 -2.714 255 HA VAL 31 HA VAL 31 3.685 -4.245 -0.709 256 HB VAL 31 HB VAL 31 3.236 -3.884 -3.684 257 HG11 VAL 31 HG11 VAL 31 3.506 -1.695 -2.730 258 HG12 VAL 31 HG12 VAL 31 5.070 -2.150 -3.406 259 HG13 VAL 31 HG13 VAL 31 4.797 -2.253 -1.666 260 HG21 VAL 31 HG21 VAL 31 5.631 -4.471 -3.813 261 HG22 VAL 31 HG22 VAL 31 4.715 -5.764 -3.039 262 HG23 VAL 31 HG23 VAL 31 5.682 -4.660 -2.061 263 H ALA 32 HN ALA 32 2.849 -2.451 0.234 264 HA ALA 32 HA ALA 32 0.045 -1.918 0.190 265 HB1 ALA 32 HB1 ALA 32 2.449 -0.375 1.154 266 HB2 ALA 32 HB2 ALA 32 1.220 -1.194 2.114 267 HB3 ALA 32 HB3 ALA 32 0.830 0.310 1.279 268 H ASP 33 HN ASP 33 2.744 -0.230 -1.403 269 HA ASP 33 HA ASP 33 1.363 1.928 -2.548 270 HB2 ASP 33 HB2 ASP 33 3.865 1.373 -2.673 271 HB3 ASP 33 HB1 ASP 33 3.460 0.327 -4.030 272 H ASP 34 HN ASP 34 0.850 -1.384 -3.125 273 HA ASP 34 HA ASP 34 -0.283 -0.940 -5.844 274 HB2 ASP 34 HB2 ASP 34 1.133 -2.946 -5.423 275 HB3 ASP 34 HB1 ASP 34 -0.040 -3.485 -4.221 276 H ILE 35 HN ILE 35 -1.272 -1.824 -2.560 277 HA ILE 35 HA ILE 35 -4.138 -1.802 -3.434 278 HB ILE 35 HB ILE 35 -4.535 -2.847 -1.175 279 HG12 ILE 35 HG12 ILE 35 -1.506 -3.090 -1.164 280 HG13 ILE 35 HG11 ILE 35 -2.416 -1.970 -0.147 281 HG21 ILE 35 HG21 ILE 35 -2.593 -4.264 -3.024 282 HG22 ILE 35 HG22 ILE 35 -4.343 -4.195 -3.227 283 HG23 ILE 35 HG23 ILE 35 -3.648 -5.050 -1.851 284 HD11 ILE 35 HD11 ILE 35 -3.717 -4.007 0.690 285 HD12 ILE 35 HD12 ILE 35 -2.035 -3.899 1.209 286 HD13 ILE 35 HD13 ILE 35 -2.486 -4.994 -0.098 287 H LEU 36 HN LEU 36 -1.858 0.237 -2.177 288 HA LEU 36 HA LEU 36 -3.955 1.877 -0.802 289 HB2 LEU 36 HB2 LEU 36 -1.125 1.314 0.061 290 HB3 LEU 36 HB1 LEU 36 -2.027 2.707 0.652 291 HG LEU 36 HG LEU 36 -3.337 -0.001 0.782 292 HD11 LEU 36 HD11 LEU 36 -2.333 -0.120 3.163 293 HD12 LEU 36 HD12 LEU 36 -1.104 0.987 2.552 294 HD13 LEU 36 HD13 LEU 36 -1.308 -0.601 1.813 295 HD21 LEU 36 HD21 LEU 36 -3.367 2.313 2.744 296 HD22 LEU 36 HD22 LEU 36 -4.523 0.990 2.622 297 HD23 LEU 36 HD23 LEU 36 -4.468 2.228 1.371 298 HA PRO 37 HA PRO 37 -2.320 4.244 -4.401 299 HB2 PRO 37 HB2 PRO 37 -4.675 5.910 -3.601 300 HB3 PRO 37 HB1 PRO 37 -4.193 5.338 -5.211 301 HG2 PRO 37 HG2 PRO 37 -6.230 4.227 -3.880 302 HG3 PRO 37 HG1 PRO 37 -5.149 3.262 -4.903 303 HD2 PRO 37 HD2 PRO 37 -5.264 3.427 -1.918 304 HD3 PRO 37 HD1 PRO 37 -4.826 2.052 -2.958 305 H ASP 38 HN ASP 38 -1.398 6.350 -4.554 306 HA ASP 38 HA ASP 38 0.037 7.301 -2.343 307 HB2 ASP 38 HB2 ASP 38 -0.909 8.711 -4.849 308 HB3 ASP 38 HB1 ASP 38 0.190 9.465 -3.693 309 H GLN 39 HN GLN 39 -3.281 7.508 -2.872 310 HA GLN 39 HA GLN 39 -3.985 10.040 -1.793 311 HB2 GLN 39 HB2 GLN 39 -5.413 7.371 -1.605 312 HB3 GLN 39 HB1 GLN 39 -6.151 8.926 -1.227 313 HG2 GLN 39 HG2 GLN 39 -4.937 8.212 -3.913 314 HG3 GLN 39 HG1 GLN 39 -6.662 8.144 -3.549 315 HE21 GLN 39 HE21 GLN 39 -4.586 10.076 -5.134 316 HE22 GLN 39 HE22 GLN 39 -5.244 11.601 -4.788 317 H TYR 40 HN TYR 40 -2.997 7.047 -0.227 318 HA TYR 40 HA TYR 40 -2.907 8.518 2.373 319 HB2 TYR 40 HB2 TYR 40 -4.137 5.780 1.926 320 HB3 TYR 40 HB1 TYR 40 -3.802 6.478 3.510 321 HD1 TYR 40 HD2 TYR 40 -4.943 8.619 4.196 322 HD2 TYR 40 HD1 TYR 40 -6.053 6.457 0.651 323 HE1 TYR 40 HE2 TYR 40 -7.091 9.854 4.115 324 HE2 TYR 40 HE1 TYR 40 -8.203 7.694 0.572 325 HH TYR 40 HH TYR 40 -9.397 9.469 3.159 326 H VAL 41 HN VAL 41 -0.727 8.006 0.656 327 HA VAL 41 HA VAL 41 0.888 6.222 2.403 328 HB VAL 41 HB VAL 41 0.797 5.948 -0.615 329 HG11 VAL 41 HG11 VAL 41 3.040 5.575 0.076 330 HG12 VAL 41 HG12 VAL 41 2.324 3.968 -0.050 331 HG13 VAL 41 HG13 VAL 41 2.532 4.721 1.532 332 HG21 VAL 41 HG21 VAL 41 -0.208 4.243 1.668 333 HG22 VAL 41 HG22 VAL 41 0.102 3.572 0.067 334 HG23 VAL 41 HG23 VAL 41 -1.108 4.836 0.274 335 H ARG 42 HN ARG 42 1.068 8.211 -0.564 336 HA ARG 42 HA ARG 42 2.719 9.735 -1.266 337 HB2 ARG 42 HB2 ARG 42 2.612 10.355 1.702 338 HB3 ARG 42 HB1 ARG 42 3.402 11.371 0.496 339 HG2 ARG 42 HG2 ARG 42 1.279 11.643 -0.697 340 HG3 ARG 42 HG1 ARG 42 0.474 10.602 0.477 341 HD2 ARG 42 HD2 ARG 42 1.909 13.171 1.212 342 HD3 ARG 42 HD1 ARG 42 0.171 13.060 0.930 343 HE ARG 42 HE ARG 42 0.838 11.082 2.843 344 HH11 ARG 42 HH21 ARG 42 0.845 14.516 2.465 345 HH12 ARG 42 HH22 ARG 42 0.580 14.826 4.148 346 HH21 ARG 42 HH11 ARG 42 0.495 11.477 5.028 347 HH22 ARG 42 HH12 ARG 42 0.381 13.109 5.596 348 H LEU 43 HN LEU 43 4.663 10.344 1.272 349 HA LEU 43 HA LEU 43 6.739 8.428 0.320 350 HB2 LEU 43 HB2 LEU 43 8.172 10.125 1.803 351 HB3 LEU 43 HB1 LEU 43 7.677 10.560 0.169 352 HG LEU 43 HG LEU 43 5.741 11.789 1.045 353 HD11 LEU 43 HD11 LEU 43 6.738 10.694 3.679 354 HD12 LEU 43 HD12 LEU 43 5.112 10.607 3.003 355 HD13 LEU 43 HD13 LEU 43 5.733 12.141 3.610 356 HD21 LEU 43 HD21 LEU 43 7.049 13.517 2.409 357 HD22 LEU 43 HD22 LEU 43 7.714 13.121 0.824 358 HD23 LEU 43 HD23 LEU 43 8.430 12.426 2.278 359 H GLY 44 HN GLY 44 4.470 8.579 2.677 360 HA2 GLY 44 HA2 GLY 44 5.664 8.152 5.153 361 HA3 GLY 44 HA1 GLY 44 4.207 7.303 4.643 362 HA PRO 45 HA PRO 45 7.913 4.377 5.115 363 HB2 PRO 45 HB2 PRO 45 6.995 2.982 7.302 364 HB3 PRO 45 HB1 PRO 45 8.007 4.434 7.431 365 HG2 PRO 45 HG2 PRO 45 5.046 4.162 7.727 366 HG3 PRO 45 HG1 PRO 45 6.186 5.132 8.675 367 HD2 PRO 45 HD2 PRO 45 4.612 6.210 6.713 368 HD3 PRO 45 HD1 PRO 45 6.216 6.861 7.119 369 H LEU 46 HN LEU 46 4.494 4.171 4.818 370 HA LEU 46 HA LEU 46 4.447 1.269 4.304 371 HB2 LEU 46 HB2 LEU 46 2.266 3.321 3.829 372 HB3 LEU 46 HB1 LEU 46 2.066 1.573 3.954 373 HG LEU 46 HG LEU 46 3.049 3.395 6.173 374 HD11 LEU 46 HD11 LEU 46 0.918 3.090 7.198 375 HD12 LEU 46 HD12 LEU 46 0.468 1.822 6.057 376 HD13 LEU 46 HD13 LEU 46 0.576 3.498 5.516 377 HD21 LEU 46 HD21 LEU 46 2.719 0.404 5.919 378 HD22 LEU 46 HD22 LEU 46 2.564 1.183 7.494 379 HD23 LEU 46 HD23 LEU 46 4.071 1.317 6.591 380 H SER 47 HN SER 47 5.763 3.638 2.640 381 HA SER 47 HA SER 47 4.668 3.835 0.087 382 HB2 SER 47 HB2 SER 47 6.972 4.121 -0.741 383 HB3 SER 47 HB1 SER 47 6.740 4.984 0.779 384 HG SER 47 HG SER 47 7.479 2.680 1.569 385 H ASN 48 HN ASN 48 7.539 1.955 -0.121 386 HA ASN 48 HA ASN 48 6.083 -0.121 -1.662 387 HB2 ASN 48 HB2 ASN 48 9.033 0.502 -1.325 388 HB3 ASN 48 HB1 ASN 48 8.413 -0.821 -2.313 389 HD21 ASN 48 HD21 ASN 48 6.035 0.720 -3.249 390 HD22 ASN 48 HD22 ASN 48 6.627 1.872 -4.343 391 H LYS 49 HN LYS 49 6.243 0.151 1.399 392 HA LYS 49 HA LYS 49 7.796 -2.100 2.343 393 HB2 LYS 49 HB2 LYS 49 7.096 -0.210 3.796 394 HB3 LYS 49 HB1 LYS 49 5.424 -0.747 3.649 395 HG2 LYS 49 HG2 LYS 49 5.990 -2.895 4.675 396 HG3 LYS 49 HG1 LYS 49 7.688 -2.430 4.761 397 HD2 LYS 49 HD2 LYS 49 7.089 -0.542 6.245 398 HD3 LYS 49 HD1 LYS 49 5.396 -1.032 6.172 399 HE2 LYS 49 HE2 LYS 49 5.959 -3.202 7.175 400 HE3 LYS 49 HE1 LYS 49 7.664 -2.754 7.216 401 HZ1 LYS 49 HZ1 LYS 49 5.434 -1.728 8.828 402 HZ2 LYS 49 HZ2 LYS 49 6.758 -0.711 8.512 403 HZ3 LYS 49 HZ3 LYS 49 6.991 -2.189 9.316 404 H ILE 50 HN ILE 50 7.193 -4.205 2.666 405 HA ILE 50 HA ILE 50 4.745 -5.121 1.300 406 HB ILE 50 HB ILE 50 7.031 -6.610 2.623 407 HG12 ILE 50 HG12 ILE 50 7.429 -7.278 0.200 408 HG13 ILE 50 HG11 ILE 50 6.219 -6.080 -0.249 409 HG21 ILE 50 HG21 ILE 50 4.512 -7.583 1.270 410 HG22 ILE 50 HG22 ILE 50 5.151 -8.042 2.847 411 HG23 ILE 50 HG23 ILE 50 5.960 -8.585 1.377 412 HD11 ILE 50 HD11 ILE 50 8.498 -5.225 1.517 413 HD12 ILE 50 HD12 ILE 50 7.565 -4.288 0.351 414 HD13 ILE 50 HD13 ILE 50 8.780 -5.428 -0.212 415 H LEU 51 HN LEU 51 2.902 -5.321 2.381 416 HA LEU 51 HA LEU 51 2.969 -5.756 5.350 417 HB2 LEU 51 HB2 LEU 51 0.783 -4.551 3.636 418 HB3 LEU 51 HB1 LEU 51 0.764 -4.693 5.393 419 HG LEU 51 HG LEU 51 2.771 -3.094 3.768 420 HD11 LEU 51 HD11 LEU 51 0.350 -2.238 3.996 421 HD12 LEU 51 HD12 LEU 51 1.634 -1.144 4.515 422 HD13 LEU 51 HD13 LEU 51 0.707 -2.048 5.711 423 HD21 LEU 51 HD21 LEU 51 3.975 -3.705 5.682 424 HD22 LEU 51 HD22 LEU 51 2.533 -3.773 6.697 425 HD23 LEU 51 HD23 LEU 51 3.211 -2.214 6.228 426 H GLN 52 HN GLN 52 1.752 -7.364 6.230 427 HA GLN 52 HA GLN 52 1.046 -9.596 4.495 428 HB2 GLN 52 HB2 GLN 52 0.731 -9.122 7.475 429 HB3 GLN 52 HB1 GLN 52 0.322 -10.643 6.677 430 HG2 GLN 52 HG2 GLN 52 2.623 -10.887 5.888 431 HG3 GLN 52 HG1 GLN 52 3.053 -9.325 6.581 432 HE21 GLN 52 HE21 GLN 52 4.649 -11.109 7.645 433 HE22 GLN 52 HE22 GLN 52 4.132 -11.689 9.153 434 H THR 53 HN THR 53 -0.710 -9.073 3.221 435 HA THR 53 HA THR 53 -3.066 -7.745 4.351 436 HB THR 53 HB THR 53 -2.458 -8.924 1.628 437 HG1 THR 53 HG1 THR 53 -2.899 -6.271 2.514 438 HG21 THR 53 HG21 THR 53 -4.602 -7.667 0.987 439 HG22 THR 53 HG22 THR 53 -4.975 -7.655 2.711 440 HG23 THR 53 HG23 THR 53 -4.813 -9.188 1.855 441 H ASN 54 HN ASN 54 -5.173 -8.716 4.402 442 HA ASN 54 HA ASN 54 -5.311 -11.675 4.269 443 HB2 ASN 54 HB2 ASN 54 -4.748 -11.066 6.616 444 HB3 ASN 54 HB1 ASN 54 -6.200 -10.066 6.676 445 HD21 ASN 54 HD21 ASN 54 -7.381 -11.340 8.191 446 HD22 ASN 54 HD22 ASN 54 -7.883 -12.929 7.869 447 H THR 55 HN THR 55 -6.627 -11.455 2.475 448 HA THR 55 HA THR 55 -9.063 -9.794 2.634 449 HB THR 55 HB THR 55 -8.080 -11.615 0.428 450 HG1 THR 55 HG1 THR 55 -6.950 -9.514 1.247 451 HG21 THR 55 HG21 THR 55 -9.620 -10.239 -0.966 452 HG22 THR 55 HG22 THR 55 -10.182 -9.432 0.499 453 HG23 THR 55 HG23 THR 55 -10.474 -11.157 0.274 454 H TYR 56 HN TYR 56 -11.105 -10.579 2.866 455 HA TYR 56 HA TYR 56 -11.377 -13.499 3.478 456 HB2 TYR 56 HB2 TYR 56 -13.048 -11.099 4.268 457 HB3 TYR 56 HB1 TYR 56 -13.498 -12.769 4.611 458 HD1 TYR 56 HD1 TYR 56 -11.085 -10.077 5.350 459 HD2 TYR 56 HD2 TYR 56 -12.300 -14.098 6.244 460 HE1 TYR 56 HE1 TYR 56 -9.622 -10.074 7.352 461 HE2 TYR 56 HE2 TYR 56 -10.837 -14.096 8.246 462 HH TYR 56 HH TYR 56 -9.759 -12.589 9.731 463 H TYR 57 HN TYR 57 -12.686 -14.727 2.232 464 HA TYR 57 HA TYR 57 -14.300 -13.364 0.095 465 HB2 TYR 57 HB2 TYR 57 -12.737 -15.955 0.005 466 HB3 TYR 57 HB1 TYR 57 -13.849 -15.427 -1.260 467 HD1 TYR 57 HD2 TYR 57 -13.418 -13.288 -2.489 468 HD2 TYR 57 HD1 TYR 57 -10.552 -14.982 0.225 469 HE1 TYR 57 HE2 TYR 57 -11.648 -11.853 -3.466 470 HE2 TYR 57 HE1 TYR 57 -8.781 -13.545 -0.752 471 HH TYR 57 HH TYR 57 -9.535 -11.169 -3.293 472 H SER 58 HN SER 58 -16.391 -13.790 0.132 473 HA SER 58 HA SER 58 -17.386 -16.324 1.357 474 HB2 SER 58 HB2 SER 58 -18.661 -13.631 1.862 475 HB3 SER 58 HB1 SER 58 -19.085 -15.172 2.599 476 HG SER 58 HG SER 58 -16.445 -14.289 2.812 477 H ASP 59 HN ASP 59 -19.620 -16.789 0.677 478 HA ASP 59 HA ASP 59 -20.000 -16.531 -2.145 479 HB2 ASP 59 HB2 ASP 59 -21.853 -17.296 0.122 480 HB3 ASP 59 HB1 ASP 59 -22.356 -17.352 -1.567 481 H THR 60 HN THR 60 -21.507 -14.843 0.587 482 HA THR 60 HA THR 60 -23.264 -13.208 -1.013 483 HB THR 60 HB THR 60 -23.957 -13.252 1.209 484 HG1 THR 60 HG1 THR 60 -23.996 -11.150 1.112 485 HG21 THR 60 HG21 THR 60 -22.187 -14.435 2.245 486 HG22 THR 60 HG22 THR 60 -22.237 -12.893 3.099 487 HG23 THR 60 HG23 THR 60 -21.011 -13.176 1.864 488 H LEU 61 HN LEU 61 -19.967 -12.801 0.179 489 HA LEU 61 HA LEU 61 -19.659 -10.029 -0.449 490 HB2 LEU 61 HB2 LEU 61 -17.724 -12.335 -0.229 491 HB3 LEU 61 HB1 LEU 61 -17.163 -10.719 -0.651 492 HG LEU 61 HG LEU 61 -18.826 -11.318 1.812 493 HD11 LEU 61 HD11 LEU 61 -15.819 -10.949 1.647 494 HD12 LEU 61 HD12 LEU 61 -16.612 -12.512 1.822 495 HD13 LEU 61 HD13 LEU 61 -16.763 -11.300 3.094 496 HD21 LEU 61 HD21 LEU 61 -17.407 -8.890 0.722 497 HD22 LEU 61 HD22 LEU 61 -17.553 -9.084 2.468 498 HD23 LEU 61 HD23 LEU 61 -19.000 -9.007 1.470 499 H HIS 62 HN HIS 62 -19.110 -12.944 -2.377 500 HA HIS 62 HA HIS 62 -18.026 -11.624 -4.675 501 HB2 HIS 62 HB2 HIS 62 -19.488 -14.240 -4.287 502 HB3 HIS 62 HB1 HIS 62 -18.879 -13.734 -5.860 503 HD1 HIS 62 HD1 HIS 62 -17.878 -15.779 -3.173 504 HD2 HIS 62 HD2 HIS 62 -15.908 -12.853 -5.394 505 HE1 HIS 62 HE1 HIS 62 -15.397 -16.199 -2.872 506 H LYS 63 HN LYS 63 -21.328 -12.484 -3.734 507 HA LYS 63 HA LYS 63 -22.637 -11.636 -6.139 508 HB2 LYS 63 HB2 LYS 63 -23.696 -13.008 -4.337 509 HB3 LYS 63 HB1 LYS 63 -23.696 -11.584 -3.299 510 HG2 LYS 63 HG2 LYS 63 -25.136 -10.393 -4.868 511 HG3 LYS 63 HG1 LYS 63 -25.086 -11.756 -5.986 512 HD2 LYS 63 HD2 LYS 63 -26.145 -13.192 -4.262 513 HD3 LYS 63 HD1 LYS 63 -26.226 -11.806 -3.174 514 HE2 LYS 63 HE2 LYS 63 -27.569 -11.994 -5.888 515 HE3 LYS 63 HE1 LYS 63 -28.379 -12.139 -4.330 516 HZ1 LYS 63 HZ1 LYS 63 -27.764 -9.810 -5.744 517 HZ2 LYS 63 HZ2 LYS 63 -26.841 -9.799 -4.317 518 HZ3 LYS 63 HZ3 LYS 63 -28.532 -9.949 -4.238 519 H SER 64 HN SER 64 -21.906 -9.928 -3.112 520 HA SER 64 HA SER 64 -23.026 -7.401 -4.077 521 HB2 SER 64 HB2 SER 64 -21.341 -8.087 -1.651 522 HB3 SER 64 HB1 SER 64 -22.046 -6.501 -1.951 523 HG SER 64 HG SER 64 -24.057 -7.362 -1.744 524 H ASN 65 HN ASN 65 -20.198 -9.069 -4.689 525 HA ASN 65 HA ASN 65 -18.173 -8.474 -5.702 526 HB2 ASN 65 HB2 ASN 65 -19.505 -5.800 -6.243 527 HB3 ASN 65 HB1 ASN 65 -18.132 -6.496 -7.097 528 HD21 ASN 65 HD21 ASN 65 -19.473 -9.263 -6.941 529 HD22 ASN 65 HD22 ASN 65 -20.655 -9.213 -8.157 530 H ILE 66 HN ILE 66 -18.463 -8.069 -2.885 531 HA ILE 66 HA ILE 66 -16.785 -5.625 -2.428 532 HB ILE 66 HB ILE 66 -18.485 -7.206 -0.483 533 HG12 ILE 66 HG12 ILE 66 -18.821 -4.373 -1.504 534 HG13 ILE 66 HG11 ILE 66 -19.660 -5.756 -2.206 535 HG21 ILE 66 HG21 ILE 66 -17.944 -5.117 0.952 536 HG22 ILE 66 HG22 ILE 66 -16.622 -4.843 -0.182 537 HG23 ILE 66 HG23 ILE 66 -16.674 -6.325 0.770 538 HD11 ILE 66 HD11 ILE 66 -20.702 -6.251 -0.044 539 HD12 ILE 66 HD12 ILE 66 -21.054 -4.589 -0.516 540 HD13 ILE 66 HD13 ILE 66 -19.823 -4.918 0.704 541 H TYR 67 HN TYR 67 -14.735 -5.908 -1.811 542 HA TYR 67 HA TYR 67 -13.856 -8.625 -0.881 543 HB2 TYR 67 HB2 TYR 67 -12.278 -6.646 -2.536 544 HB3 TYR 67 HB1 TYR 67 -11.738 -8.239 -2.005 545 HD1 TYR 67 HD2 TYR 67 -13.218 -10.277 -2.674 546 HD2 TYR 67 HD1 TYR 67 -13.425 -6.435 -4.584 547 HE1 TYR 67 HE2 TYR 67 -14.284 -11.320 -4.657 548 HE2 TYR 67 HE1 TYR 67 -14.490 -7.479 -6.565 549 HH TYR 67 HH TYR 67 -15.963 -9.763 -6.871 550 HA PRO 68 HA PRO 68 -12.632 -5.617 2.377 551 HB2 PRO 68 HB2 PRO 68 -13.373 -7.094 4.530 552 HB3 PRO 68 HB1 PRO 68 -14.543 -6.158 3.576 553 HG2 PRO 68 HG2 PRO 68 -14.027 -9.085 3.586 554 HG3 PRO 68 HG1 PRO 68 -15.543 -8.207 3.330 555 HD2 PRO 68 HD2 PRO 68 -13.911 -9.300 1.303 556 HD3 PRO 68 HD1 PRO 68 -15.217 -8.125 1.055 557 H PHE 69 HN PHE 69 -10.686 -5.561 3.519 558 HA PHE 69 HA PHE 69 -9.314 -8.079 4.167 559 HB2 PHE 69 HB2 PHE 69 -7.313 -7.605 2.871 560 HB3 PHE 69 HB1 PHE 69 -8.700 -7.659 1.788 561 HD1 PHE 69 HD1 PHE 69 -6.261 -5.448 3.469 562 HD2 PHE 69 HD2 PHE 69 -9.513 -5.666 0.668 563 HE1 PHE 69 HE1 PHE 69 -5.724 -3.163 2.666 564 HE2 PHE 69 HE2 PHE 69 -8.977 -3.379 -0.128 565 HZ PHE 69 HZ PHE 69 -7.081 -2.129 0.868 566 H ILE 70 HN ILE 70 -7.452 -7.761 5.507 567 HA ILE 70 HA ILE 70 -7.279 -5.048 6.779 568 HB ILE 70 HB ILE 70 -7.215 -7.759 8.139 569 HG12 ILE 70 HG12 ILE 70 -9.145 -5.442 8.475 570 HG13 ILE 70 HG11 ILE 70 -9.468 -6.831 7.440 571 HG21 ILE 70 HG21 ILE 70 -5.651 -6.317 9.254 572 HG22 ILE 70 HG22 ILE 70 -7.129 -6.278 10.214 573 HG23 ILE 70 HG23 ILE 70 -6.743 -4.938 9.136 574 HD11 ILE 70 HD11 ILE 70 -9.580 -8.321 9.260 575 HD12 ILE 70 HD12 ILE 70 -10.372 -6.876 9.883 576 HD13 ILE 70 HD13 ILE 70 -8.707 -7.228 10.334 577 H LEU 71 HN LEU 71 -5.219 -4.390 7.350 578 HA LEU 71 HA LEU 71 -2.984 -6.033 6.233 579 HB2 LEU 71 HB2 LEU 71 -3.008 -3.109 7.020 580 HB3 LEU 71 HB1 LEU 71 -1.745 -3.949 6.121 581 HG LEU 71 HG LEU 71 -4.606 -3.538 5.199 582 HD11 LEU 71 HD11 LEU 71 -2.042 -2.393 4.064 583 HD12 LEU 71 HD12 LEU 71 -3.077 -1.519 5.193 584 HD13 LEU 71 HD13 LEU 71 -3.694 -1.981 3.606 585 HD21 LEU 71 HD21 LEU 71 -2.258 -5.065 4.068 586 HD22 LEU 71 HD22 LEU 71 -3.475 -4.381 2.992 587 HD23 LEU 71 HD23 LEU 71 -3.945 -5.566 4.202 588 H TYR 72 HN TYR 72 -1.553 -6.922 7.558 589 HA TYR 72 HA TYR 72 -1.371 -5.961 10.398 590 HB2 TYR 72 HB2 TYR 72 -1.303 -8.798 9.337 591 HB3 TYR 72 HB1 TYR 72 -0.875 -8.351 10.987 592 HD1 TYR 72 HD2 TYR 72 -2.620 -6.996 12.336 593 HD2 TYR 72 HD1 TYR 72 -3.559 -9.221 8.784 594 HE1 TYR 72 HE2 TYR 72 -5.011 -7.029 12.990 595 HE2 TYR 72 HE1 TYR 72 -5.950 -9.253 9.437 596 HH TYR 72 HH TYR 72 -7.011 -8.250 12.575 597 H TYR 73 HN TYR 73 0.693 -6.050 11.314 598 HA TYR 73 HA TYR 73 2.962 -6.786 9.514 599 HB2 TYR 73 HB2 TYR 73 2.655 -4.353 9.313 600 HB3 TYR 73 HB1 TYR 73 2.731 -4.195 11.070 601 HD1 TYR 73 HD1 TYR 73 4.658 -5.535 8.157 602 HD2 TYR 73 HD2 TYR 73 4.814 -3.907 12.129 603 HE1 TYR 73 HE1 TYR 73 7.134 -5.493 8.041 604 HE2 TYR 73 HE2 TYR 73 7.291 -3.862 12.012 605 HH TYR 73 HH TYR 73 9.017 -3.848 9.513 606 H GLN 74 HN GLN 74 3.992 -8.323 10.593 607 HA GLN 74 HA GLN 74 4.988 -9.546 12.319 608 HB2 GLN 74 HB2 GLN 74 5.215 -6.768 13.519 609 HB3 GLN 74 HB1 GLN 74 6.012 -8.200 14.164 610 HG2 GLN 74 HG2 GLN 74 7.210 -8.517 12.046 611 HG3 GLN 74 HG1 GLN 74 6.385 -7.120 11.355 612 HE21 GLN 74 HE21 GLN 74 8.950 -6.625 11.213 613 HE22 GLN 74 HE22 GLN 74 9.552 -5.698 12.501 614 H LYS 75 HN LYS 75 3.395 -7.040 14.266 615 HA LYS 75 HA LYS 75 1.244 -8.810 15.084 616 HB2 LYS 75 HB2 LYS 75 3.332 -9.576 16.393 617 HB3 LYS 75 HB1 LYS 75 3.204 -8.040 17.251 618 HG2 LYS 75 HG2 LYS 75 0.965 -8.590 18.019 619 HG3 LYS 75 HG1 LYS 75 0.939 -10.047 17.030 620 HD2 LYS 75 HD2 LYS 75 1.479 -10.883 19.156 621 HD3 LYS 75 HD1 LYS 75 3.059 -10.736 18.390 622 HE2 LYS 75 HE2 LYS 75 3.068 -9.816 20.690 623 HE3 LYS 75 HE1 LYS 75 3.405 -8.564 19.497 624 HZ1 LYS 75 HZ1 LYS 75 1.634 -8.192 21.356 625 HZ2 LYS 75 HZ2 LYS 75 0.625 -9.045 20.289 626 HZ3 LYS 75 HZ3 LYS 75 1.372 -7.603 19.787 627 H GLN 76 HN GLN 76 0.700 -6.571 13.986 628 HA GLN 76 HA GLN 76 -0.519 -4.947 16.007 629 HB2 GLN 76 HB2 GLN 76 1.989 -4.229 16.013 630 HB3 GLN 76 HB1 GLN 76 1.608 -3.441 14.484 631 HG2 GLN 76 HG2 GLN 76 0.008 -2.973 17.015 632 HG3 GLN 76 HG1 GLN 76 1.381 -1.973 16.547 633 HE21 GLN 76 HE21 GLN 76 1.196 -1.090 14.166 634 HE22 GLN 76 HE22 GLN 76 -0.349 -0.574 13.685 635 H LEU 77 HN LEU 77 -2.237 -3.947 15.118 636 HA LEU 77 HA LEU 77 -2.912 -4.350 12.364 637 HB2 LEU 77 HB2 LEU 77 -4.654 -4.142 14.048 638 HB3 LEU 77 HB1 LEU 77 -4.109 -2.519 14.464 639 HG LEU 77 HG LEU 77 -4.733 -1.702 12.235 640 HD11 LEU 77 HD11 LEU 77 -4.352 -3.492 10.756 641 HD12 LEU 77 HD12 LEU 77 -6.111 -3.409 10.812 642 HD13 LEU 77 HD13 LEU 77 -5.256 -4.634 11.748 643 HD21 LEU 77 HD21 LEU 77 -7.135 -1.890 12.443 644 HD22 LEU 77 HD22 LEU 77 -6.453 -1.853 14.069 645 HD23 LEU 77 HD23 LEU 77 -6.984 -3.382 13.369 646 H ILE 78 HN ILE 78 -2.574 -3.088 10.611 647 HA ILE 78 HA ILE 78 -1.128 -0.496 10.989 648 HB ILE 78 HB ILE 78 -1.442 -2.259 8.547 649 HG12 ILE 78 HG12 ILE 78 -0.039 -3.311 10.252 650 HG13 ILE 78 HG11 ILE 78 0.969 -2.753 8.920 651 HG21 ILE 78 HG21 ILE 78 -1.148 -0.001 7.824 652 HG22 ILE 78 HG22 ILE 78 0.433 -0.772 7.691 653 HG23 ILE 78 HG23 ILE 78 0.085 0.300 9.047 654 HD11 ILE 78 HD11 ILE 78 2.193 -1.954 10.726 655 HD12 ILE 78 HD12 ILE 78 0.759 -1.696 11.716 656 HD13 ILE 78 HD13 ILE 78 1.158 -0.558 10.433 657 H ALA 79 HN ALA 79 -3.691 -1.938 8.938 658 HA ALA 79 HA ALA 79 -5.376 0.398 9.279 659 HB1 ALA 79 HB1 ALA 79 -4.274 0.038 6.493 660 HB2 ALA 79 HB2 ALA 79 -3.560 1.164 7.646 661 HB3 ALA 79 HB3 ALA 79 -5.233 1.373 7.123 662 H ILE 80 HN ILE 80 -7.363 0.237 7.922 663 HA ILE 80 HA ILE 80 -7.899 -2.569 6.988 664 HB ILE 80 HB ILE 80 -9.791 -0.751 8.513 665 HG12 ILE 80 HG12 ILE 80 -8.463 -3.349 9.353 666 HG13 ILE 80 HG11 ILE 80 -7.927 -1.748 9.862 667 HG21 ILE 80 HG21 ILE 80 -10.981 -2.151 6.926 668 HG22 ILE 80 HG22 ILE 80 -11.193 -2.850 8.531 669 HG23 ILE 80 HG23 ILE 80 -10.040 -3.562 7.402 670 HD11 ILE 80 HD11 ILE 80 -10.268 -1.353 10.745 671 HD12 ILE 80 HD12 ILE 80 -9.349 -2.587 11.608 672 HD13 ILE 80 HD13 ILE 80 -10.590 -3.061 10.448 673 H GLY 81 HN GLY 81 -8.661 -2.643 4.957 674 HA2 GLY 81 HA2 GLY 81 -10.160 -0.306 3.859 675 HA3 GLY 81 HA1 GLY 81 -8.730 -0.867 2.993 676 H PHE 82 HN PHE 82 -11.702 -0.891 2.370 677 HA PHE 82 HA PHE 82 -11.767 -3.715 1.405 678 HB2 PHE 82 HB2 PHE 82 -14.146 -3.916 1.977 679 HB3 PHE 82 HB1 PHE 82 -13.208 -3.597 3.433 680 HD1 PHE 82 HD1 PHE 82 -15.406 -2.052 0.864 681 HD2 PHE 82 HD2 PHE 82 -13.545 -1.594 4.710 682 HE1 PHE 82 HE1 PHE 82 -16.812 -0.056 1.307 683 HE2 PHE 82 HE2 PHE 82 -14.951 0.406 5.145 684 HZ PHE 82 HZ PHE 82 -16.581 1.174 3.446 685 H ILE 83 HN ILE 83 -12.875 -3.953 -0.579 686 HA ILE 83 HA ILE 83 -13.258 -1.383 -2.052 687 HB ILE 83 HB ILE 83 -12.982 -4.210 -3.111 688 HG12 ILE 83 HG12 ILE 83 -10.983 -1.924 -3.097 689 HG13 ILE 83 HG11 ILE 83 -10.946 -3.269 -1.958 690 HG21 ILE 83 HG21 ILE 83 -14.203 -2.845 -4.673 691 HG22 ILE 83 HG22 ILE 83 -12.542 -2.915 -5.259 692 HG23 ILE 83 HG23 ILE 83 -13.120 -1.479 -4.413 693 HD11 ILE 83 HD11 ILE 83 -10.760 -4.850 -3.873 694 HD12 ILE 83 HD12 ILE 83 -9.410 -3.716 -3.811 695 HD13 ILE 83 HD13 ILE 83 -10.712 -3.474 -4.976 696 H ASP 84 HN ASP 84 -15.233 -0.736 -2.561 697 HA ASP 84 HA ASP 84 -17.550 -2.446 -1.937 698 HB2 ASP 84 HB2 ASP 84 -18.861 -0.401 -2.387 699 HB3 ASP 84 HB1 ASP 84 -17.564 -0.092 -1.233 700 H GLU 85 HN GLU 85 -19.445 -1.984 -3.636 701 HA GLU 85 HA GLU 85 -18.778 -3.454 -5.996 702 HB2 GLU 85 HB2 GLU 85 -21.063 -3.346 -5.005 703 HB3 GLU 85 HB1 GLU 85 -21.172 -1.657 -5.501 704 HG2 GLU 85 HG2 GLU 85 -20.912 -2.306 -7.853 705 HG3 GLU 85 HG1 GLU 85 -20.740 -3.994 -7.381 706 H ASN 86 HN ASN 86 -19.088 0.007 -5.357 707 HA ASN 86 HA ASN 86 -18.759 0.746 -8.168 708 HB2 ASN 86 HB2 ASN 86 -18.738 3.044 -7.339 709 HB3 ASN 86 HB1 ASN 86 -20.023 2.149 -6.530 710 HD21 ASN 86 HD21 ASN 86 -20.078 2.967 -4.418 711 HD22 ASN 86 HD22 ASN 86 -18.718 3.143 -3.419 712 H HIS 87 HN HIS 87 -16.679 -0.899 -6.711 713 HA HIS 87 HA HIS 87 -14.347 -0.963 -6.407 714 HB2 HIS 87 HB2 HIS 87 -13.107 -0.236 -8.422 715 HB3 HIS 87 HB1 HIS 87 -14.547 -1.164 -8.834 716 HD1 HIS 87 HD1 HIS 87 -16.663 0.251 -9.639 717 HD2 HIS 87 HD2 HIS 87 -13.078 2.368 -9.429 718 HE1 HIS 87 HE1 HIS 87 -17.013 2.384 -10.958 719 H ASP 88 HN ASP 88 -14.324 0.390 -4.513 720 HA ASP 88 HA ASP 88 -12.730 2.836 -4.931 721 HB2 ASP 88 HB2 ASP 88 -15.070 3.637 -4.992 722 HB3 ASP 88 HB1 ASP 88 -15.354 2.910 -3.410 723 H MET 89 HN MET 89 -11.025 2.224 -3.708 724 HA MET 89 HA MET 89 -11.104 0.501 -1.437 725 HB2 MET 89 HB2 MET 89 -9.080 2.587 -2.299 726 HB3 MET 89 HB1 MET 89 -8.808 1.461 -0.969 727 HG2 MET 89 HG2 MET 89 -9.151 -0.440 -2.514 728 HG3 MET 89 HG1 MET 89 -9.403 0.689 -3.844 729 HE1 MET 89 HE1 MET 89 -5.980 -0.793 -4.731 730 HE2 MET 89 HE2 MET 89 -7.414 -0.054 -5.441 731 HE3 MET 89 HE3 MET 89 -7.588 -1.411 -4.329 732 H ASP 90 HN ASP 90 -12.582 1.125 0.107 733 HA ASP 90 HA ASP 90 -12.447 3.882 1.221 734 HB2 ASP 90 HB2 ASP 90 -14.403 1.600 1.540 735 HB3 ASP 90 HB1 ASP 90 -14.478 3.057 2.531 736 H PHE 91 HN PHE 91 -11.132 4.207 2.892 737 HA PHE 91 HA PHE 91 -10.443 1.925 4.702 738 HB2 PHE 91 HB2 PHE 91 -9.092 4.618 4.344 739 HB3 PHE 91 HB1 PHE 91 -8.522 3.306 5.376 740 HD1 PHE 91 HD2 PHE 91 -7.838 1.121 4.347 741 HD2 PHE 91 HD1 PHE 91 -8.706 4.595 1.981 742 HE1 PHE 91 HE2 PHE 91 -6.673 0.094 2.421 743 HE2 PHE 91 HE1 PHE 91 -7.538 3.566 0.047 744 HZ PHE 91 HZ PHE 91 -6.522 1.314 0.267 745 H LEU 92 HN LEU 92 -11.673 1.881 6.461 746 HA LEU 92 HA LEU 92 -12.878 4.367 7.554 747 HB2 LEU 92 HB2 LEU 92 -13.869 2.416 9.155 748 HB3 LEU 92 HB1 LEU 92 -14.579 2.784 7.586 749 HG LEU 92 HG LEU 92 -13.201 1.009 6.550 750 HD11 LEU 92 HD11 LEU 92 -12.109 -0.601 8.262 751 HD12 LEU 92 HD12 LEU 92 -12.181 0.761 9.381 752 HD13 LEU 92 HD13 LEU 92 -11.260 0.893 7.884 753 HD21 LEU 92 HD21 LEU 92 -14.388 -0.884 7.526 754 HD22 LEU 92 HD22 LEU 92 -15.461 0.513 7.457 755 HD23 LEU 92 HD23 LEU 92 -14.720 0.047 8.986 756 H TYR 93 HN TYR 93 -10.134 2.461 7.960 757 HA TYR 93 HA TYR 93 -9.541 3.805 10.523 758 HB2 TYR 93 HB2 TYR 93 -10.577 1.638 11.177 759 HB3 TYR 93 HB1 TYR 93 -9.362 0.790 10.219 760 HD1 TYR 93 HD1 TYR 93 -9.874 3.017 13.143 761 HD2 TYR 93 HD2 TYR 93 -7.123 0.485 11.030 762 HE1 TYR 93 HE1 TYR 93 -8.298 3.136 15.053 763 HE2 TYR 93 HE2 TYR 93 -5.547 0.602 12.942 764 HH TYR 93 HH TYR 93 -5.478 1.104 15.237 765 H LEU 94 HN LEU 94 -7.599 4.690 10.174 766 HA LEU 94 HA LEU 94 -5.566 3.126 8.632 767 HB2 LEU 94 HB2 LEU 94 -6.374 4.925 7.188 768 HB3 LEU 94 HB1 LEU 94 -6.121 6.102 8.473 769 HG LEU 94 HG LEU 94 -3.713 5.728 8.412 770 HD11 LEU 94 HD11 LEU 94 -2.910 4.230 6.403 771 HD12 LEU 94 HD12 LEU 94 -4.504 3.492 6.552 772 HD13 LEU 94 HD13 LEU 94 -3.387 3.464 7.917 773 HD21 LEU 94 HD21 LEU 94 -3.244 6.648 6.226 774 HD22 LEU 94 HD22 LEU 94 -4.788 7.302 6.771 775 HD23 LEU 94 HD23 LEU 94 -4.752 6.001 5.581 776 H HIS 95 HN HIS 95 -3.879 2.697 9.889 777 HA HIS 95 HA HIS 95 -3.077 4.685 11.979 778 HB2 HIS 95 HB2 HIS 95 -4.155 2.813 13.091 779 HB3 HIS 95 HB1 HIS 95 -3.131 1.671 12.218 780 HD1 HIS 95 HD1 HIS 95 -1.031 4.448 12.924 781 HD2 HIS 95 HD2 HIS 95 -2.469 1.281 15.221 782 HE1 HIS 95 HE1 HIS 95 0.514 4.263 14.923 783 H ASN 96 HN ASN 96 -1.148 5.455 11.505 784 HA ASN 96 HA ASN 96 0.753 3.857 9.863 785 HB2 ASN 96 HB2 ASN 96 0.619 6.784 10.632 786 HB3 ASN 96 HB1 ASN 96 1.999 6.080 9.791 787 HD21 ASN 96 HD21 ASN 96 0.361 8.100 8.562 788 HD22 ASN 96 HD22 ASN 96 -0.457 7.394 7.254 789 H THR 97 HN THR 97 2.647 3.117 10.714 790 HA THR 97 HA THR 97 3.028 2.589 13.413 791 HB THR 97 HB THR 97 5.485 2.405 12.860 792 HG1 THR 97 HG1 THR 97 6.145 2.979 10.849 793 HG21 THR 97 HG21 THR 97 3.534 1.234 10.858 794 HG22 THR 97 HG22 THR 97 3.949 0.543 12.427 795 HG23 THR 97 HG23 THR 97 5.167 0.636 11.154 796 H VAL 98 HN VAL 98 3.298 5.622 11.869 797 HA VAL 98 HA VAL 98 4.910 6.778 14.094 798 HB VAL 98 HB VAL 98 3.936 7.993 11.500 799 HG11 VAL 98 HG11 VAL 98 5.665 9.042 13.747 800 HG12 VAL 98 HG12 VAL 98 4.208 9.769 13.070 801 HG13 VAL 98 HG13 VAL 98 5.699 9.739 12.128 802 HG21 VAL 98 HG21 VAL 98 6.454 7.913 11.018 803 HG22 VAL 98 HG22 VAL 98 5.603 6.369 10.982 804 HG23 VAL 98 HG23 VAL 98 6.570 6.809 12.388 805 H MET 99 HN MET 99 2.249 8.249 12.248 806 HA MET 99 HA MET 99 0.743 8.564 14.810 807 HB2 MET 99 HB2 MET 99 0.251 10.902 14.227 808 HB3 MET 99 HB1 MET 99 1.963 10.617 14.519 809 HG2 MET 99 HG2 MET 99 2.064 10.237 11.917 810 HG3 MET 99 HG1 MET 99 0.555 11.152 11.923 811 HE1 MET 99 HE1 MET 99 3.669 11.726 10.761 812 HE2 MET 99 HE2 MET 99 3.573 13.484 10.800 813 HE3 MET 99 HE3 MET 99 2.184 12.545 10.257 814 HA PRO 100 HA PRO 100 -2.398 6.898 11.951 815 HB2 PRO 100 HB2 PRO 100 -4.226 7.798 14.140 816 HB3 PRO 100 HB1 PRO 100 -4.107 6.211 13.363 817 HG2 PRO 100 HG2 PRO 100 -3.157 6.701 15.845 818 HG3 PRO 100 HG1 PRO 100 -2.433 5.506 14.756 819 HD2 PRO 100 HD2 PRO 100 -1.401 8.169 15.568 820 HD3 PRO 100 HD1 PRO 100 -0.522 6.737 14.988 821 H LEU 101 HN LEU 101 -3.641 7.929 10.415 822 HA LEU 101 HA LEU 101 -3.925 10.885 10.646 823 HB2 LEU 101 HB2 LEU 101 -4.478 9.080 8.275 824 HB3 LEU 101 HB1 LEU 101 -4.343 10.838 8.253 825 HG LEU 101 HG LEU 101 -2.120 8.899 8.962 826 HD11 LEU 101 HD11 LEU 101 -1.107 9.843 6.850 827 HD12 LEU 101 HD12 LEU 101 -2.658 10.616 6.523 828 HD13 LEU 101 HD13 LEU 101 -2.545 8.857 6.584 829 HD21 LEU 101 HD21 LEU 101 -1.638 10.833 10.208 830 HD22 LEU 101 HD22 LEU 101 -2.350 11.908 9.005 831 HD23 LEU 101 HD23 LEU 101 -0.789 11.146 8.697 832 H LEU 102 HN LEU 102 -5.939 8.217 9.373 833 HA LEU 102 HA LEU 102 -8.355 9.783 9.984 834 HB2 LEU 102 HB2 LEU 102 -8.044 8.351 7.901 835 HB3 LEU 102 HB1 LEU 102 -8.206 6.952 8.951 836 HG LEU 102 HG LEU 102 -10.363 8.976 9.314 837 HD11 LEU 102 HD11 LEU 102 -10.120 9.176 6.915 838 HD12 LEU 102 HD12 LEU 102 -11.575 8.247 7.276 839 HD13 LEU 102 HD13 LEU 102 -10.112 7.423 6.728 840 HD21 LEU 102 HD21 LEU 102 -10.355 6.752 10.404 841 HD22 LEU 102 HD22 LEU 102 -10.380 5.977 8.821 842 HD23 LEU 102 HD23 LEU 102 -11.757 6.947 9.351 843 H ASP 103 HN ASP 103 -7.741 6.333 10.559 844 HA ASP 103 HA ASP 103 -8.620 4.989 12.296 845 HB2 ASP 103 HB2 ASP 103 -7.418 5.394 14.375 846 HB3 ASP 103 HB1 ASP 103 -6.347 5.670 13.004 847 H GLN 104 HN GLN 104 -10.858 5.800 11.898 848 HA GLN 104 HA GLN 104 -11.848 7.597 14.083 849 HB2 GLN 104 HB2 GLN 104 -12.993 6.867 11.378 850 HB3 GLN 104 HB1 GLN 104 -13.915 7.732 12.609 851 HG2 GLN 104 HG2 GLN 104 -12.220 9.513 12.659 852 HG3 GLN 104 HG1 GLN 104 -11.255 8.646 11.465 853 HE21 GLN 104 HE21 GLN 104 -13.566 11.082 11.772 854 HE22 GLN 104 HE22 GLN 104 -14.162 11.074 10.183 855 H ARG 105 HN ARG 105 -12.593 6.499 15.757 856 HA ARG 105 HA ARG 105 -13.402 3.720 15.659 857 HB2 ARG 105 HB2 ARG 105 -12.453 4.790 17.701 858 HB3 ARG 105 HB1 ARG 105 -13.894 5.800 17.816 859 HG2 ARG 105 HG2 ARG 105 -15.306 3.836 18.099 860 HG3 ARG 105 HG1 ARG 105 -13.927 2.769 17.844 861 HD2 ARG 105 HD2 ARG 105 -14.085 4.791 20.098 862 HD3 ARG 105 HD1 ARG 105 -14.535 3.094 20.271 863 HE ARG 105 HE ARG 105 -11.937 3.119 19.183 864 HH11 ARG 105 HH21 ARG 105 -13.595 4.170 22.027 865 HH12 ARG 105 HH22 ARG 105 -12.207 3.998 23.048 866 HH21 ARG 105 HH11 ARG 105 -10.134 2.893 20.504 867 HH22 ARG 105 HH12 ARG 105 -10.252 3.276 22.188 868 H TYR 106 HN TYR 106 -15.128 6.816 15.707 869 HA TYR 106 HA TYR 106 -17.761 5.856 16.108 870 HB2 TYR 106 HB2 TYR 106 -16.955 8.101 14.229 871 HB3 TYR 106 HB1 TYR 106 -18.516 7.903 15.022 872 HD1 TYR 106 HD1 TYR 106 -18.707 8.163 17.500 873 HD2 TYR 106 HD2 TYR 106 -15.067 9.035 15.390 874 HE1 TYR 106 HE1 TYR 106 -17.868 9.422 19.466 875 HE2 TYR 106 HE2 TYR 106 -14.229 10.293 17.357 876 HH TYR 106 HH TYR 106 -16.211 10.627 20.306 877 H LEU 107 HN LEU 107 -15.912 6.242 13.102 878 HA LEU 107 HA LEU 107 -17.964 5.324 11.344 879 HB2 LEU 107 HB2 LEU 107 -15.543 6.418 10.932 880 HB3 LEU 107 HB1 LEU 107 -15.081 4.733 10.736 881 HG LEU 107 HG LEU 107 -15.662 5.609 8.560 882 HD11 LEU 107 HD11 LEU 107 -16.499 3.283 9.345 883 HD12 LEU 107 HD12 LEU 107 -17.203 3.958 7.874 884 HD13 LEU 107 HD13 LEU 107 -18.096 4.033 9.393 885 HD21 LEU 107 HD21 LEU 107 -17.350 7.340 9.847 886 HD22 LEU 107 HD22 LEU 107 -18.518 6.172 9.232 887 HD23 LEU 107 HD23 LEU 107 -17.436 7.006 8.119 888 H LEU 108 HN LEU 108 -15.369 3.623 13.048 889 HA LEU 108 HA LEU 108 -15.848 1.064 11.890 890 HB2 LEU 108 HB2 LEU 108 -13.917 2.018 13.497 891 HB3 LEU 108 HB1 LEU 108 -14.911 1.252 14.733 892 HG LEU 108 HG LEU 108 -13.250 -0.345 13.960 893 HD11 LEU 108 HD11 LEU 108 -15.739 -0.999 14.367 894 HD12 LEU 108 HD12 LEU 108 -14.687 -2.169 13.567 895 HD13 LEU 108 HD13 LEU 108 -15.809 -1.197 12.614 896 HD21 LEU 108 HD21 LEU 108 -13.433 0.927 11.507 897 HD22 LEU 108 HD22 LEU 108 -14.300 -0.574 11.190 898 HD23 LEU 108 HD23 LEU 108 -12.635 -0.623 11.768 899 H THR 109 HN THR 109 -17.151 2.561 14.828 900 HA THR 109 HA THR 109 -18.936 0.212 15.228 901 HB THR 109 HB THR 109 -19.458 1.239 17.391 902 HG1 THR 109 HG1 THR 109 -19.271 3.417 16.563 903 HG21 THR 109 HG21 THR 109 -17.355 -0.113 17.093 904 HG22 THR 109 HG22 THR 109 -17.276 1.052 18.413 905 HG23 THR 109 HG23 THR 109 -16.476 1.402 16.881 906 H GLY 110 HN GLY 110 -18.948 2.848 13.372 907 HA2 GLY 110 HA2 GLY 110 -20.796 3.587 12.059 908 HA3 GLY 110 HA1 GLY 110 -21.903 2.925 13.258 909 H GLY 111 HN GLY 111 -22.101 5.502 12.092 910 HA2 GLY 111 HA2 GLY 111 -21.106 7.501 13.977 911 HA3 GLY 111 HA1 GLY 111 -22.209 7.797 12.632 912 H GLN 112 HN GLN 112 -21.976 7.443 15.984 913 HA GLN 112 HA GLN 112 -24.881 6.896 16.337 914 HB2 GLN 112 HB2 GLN 112 -24.310 6.763 18.748 915 HB3 GLN 112 HB1 GLN 112 -23.314 5.669 17.790 916 HG2 GLN 112 HG2 GLN 112 -21.489 7.340 17.782 917 HG3 GLN 112 HG1 GLN 112 -22.484 8.420 18.758 918 HE21 GLN 112 HE21 GLN 112 -20.432 8.053 20.239 919 HE22 GLN 112 HE22 GLN 112 -20.536 6.762 21.334 920 H LEU 113 HN LEU 113 -23.151 9.468 15.526 921 HA LEU 113 HA LEU 113 -23.444 11.783 15.720 922 HB2 LEU 113 HB2 LEU 113 -26.109 11.017 16.968 923 HB3 LEU 113 HB1 LEU 113 -25.694 12.564 16.234 924 HG LEU 113 HG LEU 113 -25.714 9.901 14.778 925 HD11 LEU 113 HD11 LEU 113 -27.685 12.191 14.887 926 HD12 LEU 113 HD12 LEU 113 -27.984 10.483 15.207 927 HD13 LEU 113 HD13 LEU 113 -27.663 11.028 13.561 928 HD21 LEU 113 HD21 LEU 113 -24.167 11.213 13.599 929 HD22 LEU 113 HD22 LEU 113 -24.992 12.722 13.988 930 HD23 LEU 113 HD23 LEU 113 -25.672 11.629 12.781 931 H GLU 114 HN GLU 114 -21.840 10.775 17.622 932 HA GLU 114 HA GLU 114 -22.678 11.383 20.327 933 HB2 GLU 114 HB2 GLU 114 -20.845 9.767 19.710 934 HB3 GLU 114 HB1 GLU 114 -19.848 11.152 19.269 935 HG2 GLU 114 HG2 GLU 114 -19.284 10.548 21.535 936 HG3 GLU 114 HG1 GLU 114 -20.217 12.043 21.610 937 H HIS 115 HN HIS 115 -22.412 13.226 21.495 938 HA HIS 115 HA HIS 115 -21.393 15.638 20.042 939 HB2 HIS 115 HB2 HIS 115 -23.746 15.727 20.807 940 HB3 HIS 115 HB1 HIS 115 -23.206 15.453 22.465 941 HD1 HIS 115 HD1 HIS 115 -22.629 17.508 23.774 942 HD2 HIS 115 HD2 HIS 115 -22.510 18.207 19.666 943 HE1 HIS 115 HE1 HIS 115 -22.152 19.978 23.481 944 H HIS 116 HN HIS 116 -19.272 15.798 20.540 945 HA HIS 116 HA HIS 116 -18.530 15.941 23.438 946 HB2 HIS 116 HB2 HIS 116 -17.758 13.784 22.443 947 HB3 HIS 116 HB1 HIS 116 -16.833 14.703 21.253 948 HD1 HIS 116 HD1 HIS 116 -14.892 16.255 22.222 949 HD2 HIS 116 HD2 HIS 116 -16.556 13.592 24.964 950 HE1 HIS 116 HE1 HIS 116 -13.294 16.158 24.185 951 H HIS 117 HN HIS 117 -17.904 17.977 23.802 952 HA HIS 117 HA HIS 117 -15.921 19.239 22.044 953 HB2 HIS 117 HB2 HIS 117 -18.229 19.791 21.080 954 HB3 HIS 117 HB1 HIS 117 -18.503 20.727 22.550 955 HD1 HIS 117 HD1 HIS 117 -15.499 20.422 20.205 956 HD2 HIS 117 HD2 HIS 117 -17.885 23.352 21.965 957 HE1 HIS 117 HE1 HIS 117 -14.554 22.653 19.469 958 H HIS 118 HN HIS 118 -14.666 20.663 23.163 959 HA HIS 118 HA HIS 118 -13.659 21.508 25.112 960 HB2 HIS 118 HB2 HIS 118 -14.913 23.286 26.121 961 HB3 HIS 118 HB1 HIS 118 -15.407 23.231 24.432 962 HD1 HIS 118 HD1 HIS 118 -16.574 21.429 27.596 963 HD2 HIS 118 HD2 HIS 118 -18.147 23.424 24.293 964 HE1 HIS 118 HE1 HIS 118 -19.091 21.380 27.863 965 H HIS 119 HN HIS 119 -15.238 18.871 25.254 966 HA HIS 119 HA HIS 119 -15.973 18.780 28.116 967 HB2 HIS 119 HB2 HIS 119 -17.314 17.627 26.317 968 HB3 HIS 119 HB1 HIS 119 -15.953 16.527 26.094 969 HD1 HIS 119 HD1 HIS 119 -15.433 14.856 28.019 970 HD2 HIS 119 HD2 HIS 119 -18.772 17.250 28.726 971 HE1 HIS 119 HE1 HIS 119 -16.631 13.844 30.008 972 H HIS 120 HN HIS 120 -14.582 18.168 29.646 973 HA HIS 120 HA HIS 120 -12.668 16.045 29.352 974 HB2 HIS 120 HB2 HIS 120 -11.414 17.703 28.050 975 HB3 HIS 120 HB1 HIS 120 -11.563 18.869 29.365 976 HD1 HIS 120 HD1 HIS 120 -10.125 15.397 28.744 977 HD2 HIS 120 HD2 HIS 120 -9.550 18.667 31.264 978 HE1 HIS 120 HE1 HIS 120 -8.079 14.872 30.141 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -11.544 -4.748 22.902 2 H2 MET 1 HT2 MET 1 -13.045 -4.974 22.140 3 H3 MET 1 HT3 MET 1 -11.698 -4.472 21.235 4 HA MET 1 HA MET 1 -10.942 -6.825 22.490 5 HB2 MET 1 HB2 MET 1 -13.688 -6.934 21.216 6 HB3 MET 1 HB1 MET 1 -12.698 -8.356 21.547 7 HG2 MET 1 HG2 MET 1 -12.644 -7.734 23.950 8 HG3 MET 1 HG1 MET 1 -13.696 -6.363 23.604 9 HE1 MET 1 HE1 MET 1 -17.065 -7.680 22.824 10 HE2 MET 1 HE2 MET 1 -15.931 -7.500 21.490 11 HE3 MET 1 HE3 MET 1 -15.893 -6.356 22.829 12 H THR 2 HN THR 2 -12.721 -7.503 19.670 13 HA THR 2 HA THR 2 -10.237 -7.254 18.028 14 HB THR 2 HB THR 2 -11.557 -8.776 16.462 15 HG1 THR 2 HG1 THR 2 -13.134 -9.812 18.289 16 HG21 THR 2 HG21 THR 2 -10.803 -9.591 19.273 17 HG22 THR 2 HG22 THR 2 -9.839 -9.745 17.804 18 HG23 THR 2 HG23 THR 2 -11.258 -10.767 18.039 19 H LEU 3 HN LEU 3 -10.160 -5.397 16.922 20 HA LEU 3 HA LEU 3 -12.396 -3.718 16.338 21 HB2 LEU 3 HB2 LEU 3 -9.999 -2.980 16.425 22 HB3 LEU 3 HB1 LEU 3 -9.723 -3.833 14.908 23 HG LEU 3 HG LEU 3 -11.466 -2.427 13.824 24 HD11 LEU 3 HD11 LEU 3 -11.920 -0.233 15.286 25 HD12 LEU 3 HD12 LEU 3 -11.704 -1.364 16.621 26 HD13 LEU 3 HD13 LEU 3 -12.958 -1.650 15.414 27 HD21 LEU 3 HD21 LEU 3 -9.363 -0.740 15.213 28 HD22 LEU 3 HD22 LEU 3 -10.090 -0.454 13.631 29 HD23 LEU 3 HD23 LEU 3 -9.010 -1.826 13.870 30 H GLU 4 HN GLU 4 -10.669 -6.139 14.405 31 HA GLU 4 HA GLU 4 -11.964 -5.659 11.928 32 HB2 GLU 4 HB2 GLU 4 -11.250 -7.930 11.337 33 HB3 GLU 4 HB1 GLU 4 -9.967 -7.107 12.225 34 HG2 GLU 4 HG2 GLU 4 -10.797 -8.198 14.325 35 HG3 GLU 4 HG1 GLU 4 -11.934 -9.124 13.344 36 H LEU 5 HN LEU 5 -12.935 -7.655 14.698 37 HA LEU 5 HA LEU 5 -15.169 -8.897 13.431 38 HB2 LEU 5 HB2 LEU 5 -14.280 -9.698 15.573 39 HB3 LEU 5 HB1 LEU 5 -14.731 -8.182 16.349 40 HG LEU 5 HG LEU 5 -17.102 -8.634 15.929 41 HD11 LEU 5 HD11 LEU 5 -15.984 -10.958 14.371 42 HD12 LEU 5 HD12 LEU 5 -17.247 -9.815 13.912 43 HD13 LEU 5 HD13 LEU 5 -17.591 -11.077 15.090 44 HD21 LEU 5 HD21 LEU 5 -15.830 -9.642 17.923 45 HD22 LEU 5 HD22 LEU 5 -15.894 -11.170 17.043 46 HD23 LEU 5 HD23 LEU 5 -17.388 -10.369 17.529 47 H GLN 6 HN GLN 6 -14.849 -5.867 15.256 48 HA GLN 6 HA GLN 6 -17.600 -5.148 15.310 49 HB2 GLN 6 HB2 GLN 6 -14.975 -3.781 15.580 50 HB3 GLN 6 HB1 GLN 6 -16.285 -2.717 15.078 51 HG2 GLN 6 HG2 GLN 6 -15.999 -2.841 17.556 52 HG3 GLN 6 HG1 GLN 6 -17.601 -3.345 17.020 53 HE21 GLN 6 HE21 GLN 6 -17.930 -4.755 18.868 54 HE22 GLN 6 HE22 GLN 6 -17.065 -6.204 19.049 55 H LEU 7 HN LEU 7 -15.093 -4.519 12.875 56 HA LEU 7 HA LEU 7 -16.712 -2.981 11.112 57 HB2 LEU 7 HB2 LEU 7 -14.294 -3.052 10.861 58 HB3 LEU 7 HB1 LEU 7 -14.341 -4.787 10.553 59 HG LEU 7 HG LEU 7 -15.552 -4.436 8.469 60 HD11 LEU 7 HD11 LEU 7 -16.991 -2.612 8.826 61 HD12 LEU 7 HD12 LEU 7 -15.779 -1.927 7.746 62 HD13 LEU 7 HD13 LEU 7 -15.704 -1.600 9.479 63 HD21 LEU 7 HD21 LEU 7 -13.259 -2.473 8.716 64 HD22 LEU 7 HD22 LEU 7 -13.845 -3.204 7.224 65 HD23 LEU 7 HD23 LEU 7 -13.081 -4.210 8.455 66 H LYS 8 HN LYS 8 -16.134 -6.475 11.322 67 HA LYS 8 HA LYS 8 -17.584 -7.229 8.993 68 HB2 LYS 8 HB2 LYS 8 -17.063 -8.663 11.609 69 HB3 LYS 8 HB1 LYS 8 -17.845 -9.437 10.229 70 HG2 LYS 8 HG2 LYS 8 -15.878 -8.962 8.830 71 HG3 LYS 8 HG1 LYS 8 -15.098 -8.144 10.184 72 HD2 LYS 8 HD2 LYS 8 -15.194 -10.257 11.489 73 HD3 LYS 8 HD1 LYS 8 -15.900 -11.067 10.090 74 HE2 LYS 8 HE2 LYS 8 -13.216 -9.660 10.061 75 HE3 LYS 8 HE1 LYS 8 -13.421 -11.398 10.279 76 HZ1 LYS 8 HZ1 LYS 8 -14.179 -9.773 7.917 77 HZ2 LYS 8 HZ2 LYS 8 -14.673 -11.383 8.138 78 HZ3 LYS 8 HZ3 LYS 8 -13.022 -11.011 7.991 79 H HIS 9 HN HIS 9 -18.645 -6.697 12.345 80 HA HIS 9 HA HIS 9 -21.386 -7.466 11.814 81 HB2 HIS 9 HB2 HIS 9 -20.434 -7.535 14.083 82 HB3 HIS 9 HB1 HIS 9 -20.234 -5.782 14.054 83 HD1 HIS 9 HD1 HIS 9 -23.119 -8.211 13.371 84 HD2 HIS 9 HD2 HIS 9 -22.387 -4.554 15.235 85 HE1 HIS 9 HE1 HIS 9 -25.328 -7.448 14.348 86 H TYR 10 HN TYR 10 -19.617 -4.396 11.900 87 HA TYR 10 HA TYR 10 -21.857 -2.653 11.628 88 HB2 TYR 10 HB2 TYR 10 -19.665 -1.811 12.265 89 HB3 TYR 10 HB1 TYR 10 -18.978 -2.325 10.725 90 HD1 TYR 10 HD1 TYR 10 -21.557 -0.085 12.240 91 HD2 TYR 10 HD2 TYR 10 -19.100 -0.929 8.817 92 HE1 TYR 10 HE1 TYR 10 -22.241 2.067 11.216 93 HE2 TYR 10 HE2 TYR 10 -19.785 1.223 7.795 94 HH TYR 10 HH TYR 10 -20.826 3.179 8.158 95 H ILE 11 HN ILE 11 -19.693 -4.003 9.102 96 HA ILE 11 HA ILE 11 -21.137 -2.795 6.935 97 HB ILE 11 HB ILE 11 -18.788 -3.655 6.798 98 HG12 ILE 11 HG12 ILE 11 -20.603 -4.999 4.785 99 HG13 ILE 11 HG11 ILE 11 -20.313 -3.259 4.796 100 HG21 ILE 11 HG21 ILE 11 -19.302 -5.792 8.042 101 HG22 ILE 11 HG22 ILE 11 -18.375 -6.016 6.559 102 HG23 ILE 11 HG23 ILE 11 -20.099 -6.376 6.582 103 HD11 ILE 11 HD11 ILE 11 -18.804 -4.746 3.287 104 HD12 ILE 11 HD12 ILE 11 -17.999 -5.192 4.790 105 HD13 ILE 11 HD13 ILE 11 -18.039 -3.504 4.276 106 H THR 12 HN THR 12 -21.363 -5.983 8.496 107 HA THR 12 HA THR 12 -23.197 -7.149 6.658 108 HB THR 12 HB THR 12 -23.894 -8.542 8.668 109 HG1 THR 12 HG1 THR 12 -22.191 -6.643 9.831 110 HG21 THR 12 HG21 THR 12 -21.051 -8.218 7.734 111 HG22 THR 12 HG22 THR 12 -22.164 -9.564 7.482 112 HG23 THR 12 HG23 THR 12 -21.402 -9.333 9.055 113 H ASN 13 HN ASN 13 -23.751 -5.175 9.576 114 HA ASN 13 HA ASN 13 -26.621 -5.300 9.427 115 HB2 ASN 13 HB2 ASN 13 -24.680 -3.392 10.742 116 HB3 ASN 13 HB1 ASN 13 -26.423 -3.152 10.838 117 HD21 ASN 13 HD21 ASN 13 -24.965 -3.689 13.198 118 HD22 ASN 13 HD22 ASN 13 -25.369 -5.237 13.764 119 H LEU 14 HN LEU 14 -24.203 -3.062 8.107 120 HA LEU 14 HA LEU 14 -26.024 -1.117 7.106 121 HB2 LEU 14 HB2 LEU 14 -23.602 -0.715 7.230 122 HB3 LEU 14 HB1 LEU 14 -23.314 -1.978 6.035 123 HG LEU 14 HG LEU 14 -24.548 -0.697 4.343 124 HD11 LEU 14 HD11 LEU 14 -25.122 1.098 6.695 125 HD12 LEU 14 HD12 LEU 14 -26.226 0.499 5.455 126 HD13 LEU 14 HD13 LEU 14 -25.075 1.774 5.066 127 HD21 LEU 14 HD21 LEU 14 -22.626 1.195 5.706 128 HD22 LEU 14 HD22 LEU 14 -22.915 0.992 3.978 129 HD23 LEU 14 HD23 LEU 14 -22.078 -0.267 4.884 130 H PHE 15 HN PHE 15 -24.658 -4.035 5.608 131 HA PHE 15 HA PHE 15 -26.460 -3.683 3.260 132 HB2 PHE 15 HB2 PHE 15 -24.115 -5.513 3.862 133 HB3 PHE 15 HB1 PHE 15 -25.116 -5.683 2.419 134 HD1 PHE 15 HD2 PHE 15 -25.241 -3.823 0.754 135 HD2 PHE 15 HD1 PHE 15 -22.492 -3.743 4.056 136 HE1 PHE 15 HE2 PHE 15 -23.939 -2.039 -0.373 137 HE2 PHE 15 HE1 PHE 15 -21.190 -1.958 2.927 138 HZ PHE 15 HZ PHE 15 -21.914 -1.106 0.713 139 H ASN 16 HN ASN 16 -26.564 -4.981 6.281 140 HA ASN 16 HA ASN 16 -27.840 -6.632 7.318 141 HB2 ASN 16 HB2 ASN 16 -29.463 -6.152 4.807 142 HB3 ASN 16 HB1 ASN 16 -30.001 -7.205 6.115 143 HD21 ASN 16 HD21 ASN 16 -28.885 -5.604 8.299 144 HD22 ASN 16 HD22 ASN 16 -29.794 -4.176 8.392 145 H LEU 17 HN LEU 17 -25.578 -7.495 5.718 146 HA LEU 17 HA LEU 17 -26.468 -9.861 4.280 147 HB2 LEU 17 HB2 LEU 17 -23.769 -8.722 4.979 148 HB3 LEU 17 HB1 LEU 17 -23.918 -10.314 4.236 149 HG LEU 17 HG LEU 17 -25.300 -7.911 3.030 150 HD11 LEU 17 HD11 LEU 17 -22.856 -7.414 3.283 151 HD12 LEU 17 HD12 LEU 17 -23.381 -7.525 1.604 152 HD13 LEU 17 HD13 LEU 17 -22.509 -8.867 2.345 153 HD21 LEU 17 HD21 LEU 17 -24.897 -9.303 0.936 154 HD22 LEU 17 HD22 LEU 17 -26.021 -10.005 2.089 155 HD23 LEU 17 HD23 LEU 17 -24.368 -10.605 1.994 156 HA PRO 18 HA PRO 18 -26.641 -12.859 7.546 157 HB2 PRO 18 HB2 PRO 18 -24.592 -14.433 6.010 158 HB3 PRO 18 HB1 PRO 18 -26.146 -14.967 6.683 159 HG2 PRO 18 HG2 PRO 18 -25.865 -14.501 4.081 160 HG3 PRO 18 HG1 PRO 18 -27.356 -14.065 4.937 161 HD2 PRO 18 HD2 PRO 18 -25.178 -12.279 3.926 162 HD3 PRO 18 HD1 PRO 18 -26.919 -11.969 4.113 163 H ARG 19 HN ARG 19 -25.649 -12.962 9.502 164 HA ARG 19 HA ARG 19 -22.825 -12.083 9.757 165 HB2 ARG 19 HB2 ARG 19 -25.019 -12.559 11.799 166 HB3 ARG 19 HB1 ARG 19 -23.394 -12.005 12.198 167 HG2 ARG 19 HG2 ARG 19 -23.712 -10.012 10.780 168 HG3 ARG 19 HG1 ARG 19 -25.331 -10.570 10.355 169 HD2 ARG 19 HD2 ARG 19 -24.446 -10.051 13.206 170 HD3 ARG 19 HD1 ARG 19 -25.276 -8.854 12.212 171 HE ARG 19 HE ARG 19 -26.921 -11.079 12.067 172 HH11 ARG 19 HH21 ARG 19 -25.465 -9.223 14.589 173 HH12 ARG 19 HH22 ARG 19 -26.755 -9.494 15.711 174 HH21 ARG 19 HH11 ARG 19 -28.605 -11.447 13.526 175 HH22 ARG 19 HH12 ARG 19 -28.529 -10.755 15.113 176 H ASP 20 HN ASP 20 -24.720 -14.967 9.833 177 HA ASP 20 HA ASP 20 -22.767 -16.460 11.474 178 HB2 ASP 20 HB2 ASP 20 -25.300 -17.281 10.027 179 HB3 ASP 20 HB1 ASP 20 -24.304 -18.388 10.973 180 H GLU 21 HN GLU 21 -22.845 -15.441 8.312 181 HA GLU 21 HA GLU 21 -21.768 -17.945 7.155 182 HB2 GLU 21 HB2 GLU 21 -22.306 -15.194 5.996 183 HB3 GLU 21 HB1 GLU 21 -21.583 -16.511 5.073 184 HG2 GLU 21 HG2 GLU 21 -24.261 -16.691 6.486 185 HG3 GLU 21 HG1 GLU 21 -24.067 -16.346 4.766 186 H LYS 22 HN LYS 22 -19.720 -18.389 7.706 187 HA LYS 22 HA LYS 22 -17.797 -16.298 8.366 188 HB2 LYS 22 HB2 LYS 22 -17.804 -18.499 9.510 189 HB3 LYS 22 HB1 LYS 22 -17.384 -19.277 7.983 190 HG2 LYS 22 HG2 LYS 22 -15.293 -18.005 7.877 191 HG3 LYS 22 HG1 LYS 22 -15.718 -17.149 9.360 192 HD2 LYS 22 HD2 LYS 22 -15.735 -19.291 10.588 193 HD3 LYS 22 HD1 LYS 22 -15.291 -20.141 9.107 194 HE2 LYS 22 HE2 LYS 22 -13.204 -18.838 8.977 195 HE3 LYS 22 HE1 LYS 22 -13.647 -17.973 10.448 196 HZ1 LYS 22 HZ1 LYS 22 -12.937 -20.821 10.130 197 HZ2 LYS 22 HZ2 LYS 22 -13.815 -20.280 11.480 198 HZ3 LYS 22 HZ3 LYS 22 -12.259 -19.670 11.175 199 H TRP 23 HN TRP 23 -15.963 -15.721 7.155 200 HA TRP 23 HA TRP 23 -16.116 -16.387 4.244 201 HB2 TRP 23 HB2 TRP 23 -14.451 -14.207 5.521 202 HB3 TRP 23 HB1 TRP 23 -14.977 -14.337 3.843 203 HD1 TRP 23 HD1 TRP 23 -18.041 -15.201 4.805 204 HE1 TRP 23 HE1 TRP 23 -19.604 -13.285 5.522 205 HE3 TRP 23 HE3 TRP 23 -14.586 -11.574 5.802 206 HZ2 TRP 23 HZ2 TRP 23 -19.416 -10.568 6.400 207 HZ3 TRP 23 HZ3 TRP 23 -15.306 -9.332 6.575 208 HH2 TRP 23 HH2 TRP 23 -17.714 -8.826 6.875 209 H GLU 24 HN GLU 24 -13.845 -16.346 3.185 210 HA GLU 24 HA GLU 24 -12.029 -18.096 4.809 211 HB2 GLU 24 HB2 GLU 24 -12.509 -17.850 1.831 212 HB3 GLU 24 HB1 GLU 24 -11.186 -18.794 2.525 213 HG2 GLU 24 HG2 GLU 24 -12.783 -20.158 3.781 214 HG3 GLU 24 HG1 GLU 24 -14.123 -19.181 3.179 215 H CYS 25 HN CYS 25 -10.234 -17.098 5.501 216 HA CYS 25 HA CYS 25 -9.404 -14.530 4.380 217 HB2 CYS 25 HB2 CYS 25 -7.899 -14.410 6.207 218 HB3 CYS 25 HB1 CYS 25 -9.323 -15.224 6.849 219 HG CYS 25 HG CYS 25 -6.814 -16.441 7.233 220 H GLU 26 HN GLU 26 -7.572 -14.136 3.158 221 HA GLU 26 HA GLU 26 -6.031 -16.539 2.210 222 HB2 GLU 26 HB2 GLU 26 -7.493 -15.582 0.454 223 HB3 GLU 26 HB1 GLU 26 -6.721 -14.012 0.677 224 HG2 GLU 26 HG2 GLU 26 -4.561 -14.934 0.016 225 HG3 GLU 26 HG1 GLU 26 -5.258 -16.550 -0.103 226 H SER 27 HN SER 27 -4.017 -16.448 3.024 227 HA SER 27 HA SER 27 -2.868 -13.870 3.887 228 HB2 SER 27 HB2 SER 27 -2.625 -15.818 5.349 229 HB3 SER 27 HB1 SER 27 -1.845 -16.722 4.055 230 HG SER 27 HG SER 27 -0.790 -14.958 5.794 231 H ILE 28 HN ILE 28 -1.868 -12.675 2.337 232 HA ILE 28 HA ILE 28 0.149 -14.003 0.615 233 HB ILE 28 HB ILE 28 -1.920 -13.979 -0.735 234 HG12 ILE 28 HG12 ILE 28 -0.001 -11.838 -1.689 235 HG13 ILE 28 HG11 ILE 28 0.387 -13.558 -1.712 236 HG21 ILE 28 HG21 ILE 28 -1.808 -10.963 -0.584 237 HG22 ILE 28 HG22 ILE 28 -2.827 -11.915 0.496 238 HG23 ILE 28 HG23 ILE 28 -3.092 -11.976 -1.246 239 HD11 ILE 28 HD11 ILE 28 -0.471 -12.989 -3.891 240 HD12 ILE 28 HD12 ILE 28 -1.863 -12.169 -3.187 241 HD13 ILE 28 HD13 ILE 28 -1.719 -13.923 -3.064 242 H GLU 29 HN GLU 29 1.948 -12.749 0.461 243 HA GLU 29 HA GLU 29 1.972 -10.177 1.860 244 HB2 GLU 29 HB2 GLU 29 4.106 -11.785 0.431 245 HB3 GLU 29 HB1 GLU 29 4.426 -10.251 1.245 246 HG2 GLU 29 HG2 GLU 29 3.623 -11.169 3.363 247 HG3 GLU 29 HG1 GLU 29 3.192 -12.683 2.570 248 H GLU 30 HN GLU 30 1.947 -8.165 0.905 249 HA GLU 30 HA GLU 30 2.668 -7.872 -1.937 250 HB2 GLU 30 HB2 GLU 30 0.295 -8.562 -2.061 251 HB3 GLU 30 HB1 GLU 30 -0.145 -7.230 -0.993 252 HG2 GLU 30 HG2 GLU 30 0.668 -5.603 -2.627 253 HG3 GLU 30 HG1 GLU 30 1.232 -6.903 -3.677 254 H VAL 31 HN VAL 31 2.920 -5.641 -2.542 255 HA VAL 31 HA VAL 31 3.851 -3.955 -0.404 256 HB VAL 31 HB VAL 31 3.326 -3.369 -3.323 257 HG11 VAL 31 HG11 VAL 31 4.614 -1.741 -1.123 258 HG12 VAL 31 HG12 VAL 31 3.311 -1.258 -2.209 259 HG13 VAL 31 HG13 VAL 31 4.951 -1.449 -2.828 260 HG21 VAL 31 HG21 VAL 31 5.810 -3.553 -3.452 261 HG22 VAL 31 HG22 VAL 31 5.050 -5.062 -2.944 262 HG23 VAL 31 HG23 VAL 31 5.836 -4.026 -1.753 263 H ALA 32 HN ALA 32 2.847 -2.280 0.638 264 HA ALA 32 HA ALA 32 -0.003 -2.120 0.700 265 HB1 ALA 32 HB1 ALA 32 0.468 0.066 1.927 266 HB2 ALA 32 HB2 ALA 32 2.177 -0.235 1.620 267 HB3 ALA 32 HB3 ALA 32 1.246 -1.368 2.599 268 H ASP 33 HN ASP 33 2.423 -0.187 -1.035 269 HA ASP 33 HA ASP 33 0.591 1.795 -2.017 270 HB2 ASP 33 HB2 ASP 33 3.138 1.909 -1.949 271 HB3 ASP 33 HB1 ASP 33 3.130 0.884 -3.383 272 H ASP 34 HN ASP 34 0.934 -1.499 -2.819 273 HA ASP 34 HA ASP 34 -0.027 -1.139 -5.608 274 HB2 ASP 34 HB2 ASP 34 0.769 -3.575 -3.998 275 HB3 ASP 34 HB1 ASP 34 0.112 -3.665 -5.633 276 H ILE 35 HN ILE 35 -1.381 -1.304 -2.559 277 HA ILE 35 HA ILE 35 -3.993 -2.262 -3.685 278 HB ILE 35 HB ILE 35 -4.436 -3.125 -1.314 279 HG12 ILE 35 HG12 ILE 35 -1.410 -3.069 -1.153 280 HG13 ILE 35 HG11 ILE 35 -2.433 -1.872 -0.364 281 HG21 ILE 35 HG21 ILE 35 -3.276 -5.250 -1.753 282 HG22 ILE 35 HG22 ILE 35 -2.238 -4.450 -2.932 283 HG23 ILE 35 HG23 ILE 35 -3.967 -4.605 -3.242 284 HD11 ILE 35 HD11 ILE 35 -3.605 -3.707 0.841 285 HD12 ILE 35 HD12 ILE 35 -1.885 -3.638 1.227 286 HD13 ILE 35 HD13 ILE 35 -2.489 -4.863 0.112 287 H LEU 36 HN LEU 36 -2.265 -0.196 -1.402 288 HA LEU 36 HA LEU 36 -4.784 1.219 -0.760 289 HB2 LEU 36 HB2 LEU 36 -2.120 0.939 0.501 290 HB3 LEU 36 HB1 LEU 36 -2.820 2.551 0.641 291 HG LEU 36 HG LEU 36 -4.935 1.439 1.495 292 HD11 LEU 36 HD11 LEU 36 -3.065 -0.937 1.684 293 HD12 LEU 36 HD12 LEU 36 -4.446 -0.815 0.594 294 HD13 LEU 36 HD13 LEU 36 -4.700 -0.862 2.339 295 HD21 LEU 36 HD21 LEU 36 -3.360 2.519 2.992 296 HD22 LEU 36 HD22 LEU 36 -2.352 1.073 3.016 297 HD23 LEU 36 HD23 LEU 36 -3.958 1.040 3.743 298 HA PRO 37 HA PRO 37 -4.107 4.678 -3.450 299 HB2 PRO 37 HB2 PRO 37 -4.140 6.542 -1.109 300 HB3 PRO 37 HB1 PRO 37 -5.168 6.532 -2.556 301 HG2 PRO 37 HG2 PRO 37 -6.077 5.732 -0.166 302 HG3 PRO 37 HG1 PRO 37 -6.615 4.977 -1.678 303 HD2 PRO 37 HD2 PRO 37 -4.716 3.920 0.386 304 HD3 PRO 37 HD1 PRO 37 -5.867 3.060 -0.658 305 H ASP 38 HN ASP 38 -2.376 5.873 -4.267 306 HA ASP 38 HA ASP 38 0.238 5.471 -3.136 307 HB2 ASP 38 HB2 ASP 38 0.976 7.026 -4.940 308 HB3 ASP 38 HB1 ASP 38 -0.083 5.752 -5.546 309 H GLN 39 HN GLN 39 -2.116 8.077 -2.963 310 HA GLN 39 HA GLN 39 -0.390 10.106 -1.930 311 HB2 GLN 39 HB2 GLN 39 -2.663 10.558 -2.787 312 HB3 GLN 39 HB1 GLN 39 -3.349 9.675 -1.420 313 HG2 GLN 39 HG2 GLN 39 -2.442 11.265 0.153 314 HG3 GLN 39 HG1 GLN 39 -1.525 12.075 -1.118 315 HE21 GLN 39 HE21 GLN 39 -3.416 13.511 0.476 316 HE22 GLN 39 HE22 GLN 39 -4.716 13.972 -0.513 317 H TYR 40 HN TYR 40 -2.217 7.508 -0.341 318 HA TYR 40 HA TYR 40 -1.256 8.432 2.316 319 HB2 TYR 40 HB2 TYR 40 -3.224 6.339 1.373 320 HB3 TYR 40 HB1 TYR 40 -2.635 6.343 3.035 321 HD1 TYR 40 HD2 TYR 40 -2.903 8.454 4.426 322 HD2 TYR 40 HD1 TYR 40 -4.900 7.878 0.666 323 HE1 TYR 40 HE2 TYR 40 -4.498 10.265 4.997 324 HE2 TYR 40 HE1 TYR 40 -6.495 9.692 1.237 325 HH TYR 40 HH TYR 40 -6.043 11.944 3.321 326 H VAL 41 HN VAL 41 0.001 6.681 -0.169 327 HA VAL 41 HA VAL 41 1.864 5.285 1.665 328 HB VAL 41 HB VAL 41 0.539 3.820 -0.638 329 HG11 VAL 41 HG11 VAL 41 2.869 3.151 0.071 330 HG12 VAL 41 HG12 VAL 41 1.664 1.880 0.284 331 HG13 VAL 41 HG13 VAL 41 2.221 2.810 1.675 332 HG21 VAL 41 HG21 VAL 41 -0.554 2.510 1.231 333 HG22 VAL 41 HG22 VAL 41 -1.148 4.161 1.061 334 HG23 VAL 41 HG23 VAL 41 -0.007 3.760 2.345 335 H ARG 42 HN ARG 42 3.480 6.716 0.963 336 HA ARG 42 HA ARG 42 4.587 6.114 -1.712 337 HB2 ARG 42 HB2 ARG 42 3.118 8.110 -2.031 338 HB3 ARG 42 HB1 ARG 42 4.048 8.959 -0.795 339 HG2 ARG 42 HG2 ARG 42 6.094 8.707 -2.140 340 HG3 ARG 42 HG1 ARG 42 5.187 7.830 -3.372 341 HD2 ARG 42 HD2 ARG 42 3.762 9.811 -3.735 342 HD3 ARG 42 HD1 ARG 42 4.657 10.681 -2.492 343 HE ARG 42 HE ARG 42 6.494 10.904 -4.002 344 HH11 ARG 42 HH21 ARG 42 3.992 8.842 -5.203 345 HH12 ARG 42 HH22 ARG 42 4.615 8.815 -6.818 346 HH21 ARG 42 HH11 ARG 42 7.313 10.870 -6.106 347 HH22 ARG 42 HH12 ARG 42 6.490 9.961 -7.329 348 H LEU 43 HN LEU 43 5.084 8.514 0.903 349 HA LEU 43 HA LEU 43 7.956 7.697 1.004 350 HB2 LEU 43 HB2 LEU 43 7.242 10.149 0.697 351 HB3 LEU 43 HB1 LEU 43 6.680 10.083 2.364 352 HG LEU 43 HG LEU 43 9.054 9.192 2.926 353 HD11 LEU 43 HD11 LEU 43 9.976 8.732 0.771 354 HD12 LEU 43 HD12 LEU 43 10.778 10.198 1.316 355 HD13 LEU 43 HD13 LEU 43 9.473 10.298 0.138 356 HD21 LEU 43 HD21 LEU 43 8.326 11.387 3.643 357 HD22 LEU 43 HD22 LEU 43 8.560 12.043 2.023 358 HD23 LEU 43 HD23 LEU 43 9.953 11.543 2.980 359 H GLY 44 HN GLY 44 5.012 7.818 2.895 360 HA2 GLY 44 HA2 GLY 44 6.033 7.631 5.482 361 HA3 GLY 44 HA1 GLY 44 4.518 6.879 4.988 362 HA PRO 45 HA PRO 45 7.830 3.650 6.256 363 HB2 PRO 45 HB2 PRO 45 5.522 2.760 7.946 364 HB3 PRO 45 HB1 PRO 45 7.239 2.898 8.371 365 HG2 PRO 45 HG2 PRO 45 5.425 4.646 9.262 366 HG3 PRO 45 HG1 PRO 45 7.077 5.144 8.855 367 HD2 PRO 45 HD2 PRO 45 4.541 5.576 7.314 368 HD3 PRO 45 HD1 PRO 45 5.973 6.618 7.460 369 H LEU 46 HN LEU 46 4.384 3.549 5.520 370 HA LEU 46 HA LEU 46 4.409 0.773 4.621 371 HB2 LEU 46 HB2 LEU 46 2.328 2.891 4.024 372 HB3 LEU 46 HB1 LEU 46 2.103 1.144 4.056 373 HG LEU 46 HG LEU 46 2.739 2.921 6.430 374 HD11 LEU 46 HD11 LEU 46 0.406 3.049 5.647 375 HD12 LEU 46 HD12 LEU 46 0.498 2.208 7.194 376 HD13 LEU 46 HD13 LEU 46 0.286 1.290 5.703 377 HD21 LEU 46 HD21 LEU 46 3.836 0.873 6.892 378 HD22 LEU 46 HD22 LEU 46 2.579 -0.081 6.104 379 HD23 LEU 46 HD23 LEU 46 2.262 0.685 7.662 380 H SER 47 HN SER 47 5.671 3.534 3.333 381 HA SER 47 HA SER 47 5.007 4.010 0.767 382 HB2 SER 47 HB2 SER 47 7.533 3.972 0.230 383 HB3 SER 47 HB1 SER 47 6.996 5.009 1.549 384 HG SER 47 HG SER 47 7.719 2.338 2.045 385 H ASN 48 HN ASN 48 7.736 1.866 0.616 386 HA ASN 48 HA ASN 48 6.240 0.118 -1.304 387 HB2 ASN 48 HB2 ASN 48 8.247 1.282 -2.170 388 HB3 ASN 48 HB1 ASN 48 9.222 0.542 -0.902 389 HD21 ASN 48 HD21 ASN 48 7.006 -0.416 -3.586 390 HD22 ASN 48 HD22 ASN 48 7.852 -1.835 -3.972 391 H LYS 49 HN LYS 49 6.450 0.036 1.768 392 HA LYS 49 HA LYS 49 7.993 -2.315 2.400 393 HB2 LYS 49 HB2 LYS 49 7.128 -0.411 3.966 394 HB3 LYS 49 HB1 LYS 49 5.651 -1.365 4.048 395 HG2 LYS 49 HG2 LYS 49 6.890 -3.293 4.884 396 HG3 LYS 49 HG1 LYS 49 8.419 -2.440 4.679 397 HD2 LYS 49 HD2 LYS 49 7.642 -0.723 6.314 398 HD3 LYS 49 HD1 LYS 49 6.182 -1.678 6.576 399 HE2 LYS 49 HE2 LYS 49 8.987 -2.752 6.966 400 HE3 LYS 49 HE1 LYS 49 7.993 -2.108 8.273 401 HZ1 LYS 49 HZ1 LYS 49 7.884 -4.569 7.968 402 HZ2 LYS 49 HZ2 LYS 49 7.107 -4.298 6.483 403 HZ3 LYS 49 HZ3 LYS 49 6.381 -3.785 7.930 404 H ILE 50 HN ILE 50 7.349 -4.446 2.594 405 HA ILE 50 HA ILE 50 4.797 -5.177 1.272 406 HB ILE 50 HB ILE 50 7.144 -6.861 2.184 407 HG12 ILE 50 HG12 ILE 50 6.252 -6.095 -0.612 408 HG13 ILE 50 HG11 ILE 50 7.517 -5.243 0.273 409 HG21 ILE 50 HG21 ILE 50 4.611 -7.530 0.660 410 HG22 ILE 50 HG22 ILE 50 5.148 -8.215 2.195 411 HG23 ILE 50 HG23 ILE 50 6.023 -8.586 0.710 412 HD11 ILE 50 HD11 ILE 50 8.942 -7.133 0.288 413 HD12 ILE 50 HD12 ILE 50 8.266 -7.110 -1.339 414 HD13 ILE 50 HD13 ILE 50 7.632 -8.233 -0.138 415 H LEU 51 HN LEU 51 3.068 -5.345 2.590 416 HA LEU 51 HA LEU 51 3.475 -6.312 5.397 417 HB2 LEU 51 HB2 LEU 51 1.564 -4.378 4.117 418 HB3 LEU 51 HB1 LEU 51 1.040 -5.253 5.557 419 HG LEU 51 HG LEU 51 3.042 -4.463 6.762 420 HD11 LEU 51 HD11 LEU 51 3.679 -3.281 4.073 421 HD12 LEU 51 HD12 LEU 51 4.732 -4.124 5.207 422 HD13 LEU 51 HD13 LEU 51 4.242 -2.466 5.535 423 HD21 LEU 51 HD21 LEU 51 2.306 -2.202 7.087 424 HD22 LEU 51 HD22 LEU 51 0.873 -3.145 6.681 425 HD23 LEU 51 HD23 LEU 51 1.630 -2.124 5.460 426 H GLN 52 HN GLN 52 1.990 -7.818 6.254 427 HA GLN 52 HA GLN 52 1.228 -9.885 4.391 428 HB2 GLN 52 HB2 GLN 52 1.894 -10.291 6.770 429 HB3 GLN 52 HB1 GLN 52 0.392 -9.522 7.285 430 HG2 GLN 52 HG2 GLN 52 -0.903 -11.202 6.027 431 HG3 GLN 52 HG1 GLN 52 0.599 -11.974 5.518 432 HE21 GLN 52 HE21 GLN 52 1.104 -13.751 6.785 433 HE22 GLN 52 HE22 GLN 52 0.733 -13.919 8.433 434 H THR 53 HN THR 53 -0.478 -9.612 3.047 435 HA THR 53 HA THR 53 -2.775 -7.939 3.923 436 HB THR 53 HB THR 53 -2.057 -9.135 1.230 437 HG1 THR 53 HG1 THR 53 -2.081 -6.421 1.989 438 HG21 THR 53 HG21 THR 53 -4.297 -7.307 2.117 439 HG22 THR 53 HG22 THR 53 -4.441 -8.880 1.333 440 HG23 THR 53 HG23 THR 53 -3.817 -7.499 0.431 441 H ASN 54 HN ASN 54 -4.458 -8.963 4.834 442 HA ASN 54 HA ASN 54 -4.965 -11.836 4.147 443 HB2 ASN 54 HB2 ASN 54 -5.641 -10.147 6.565 444 HB3 ASN 54 HB1 ASN 54 -6.377 -11.725 6.277 445 HD21 ASN 54 HD21 ASN 54 -4.683 -11.330 8.542 446 HD22 ASN 54 HD22 ASN 54 -3.252 -12.215 8.313 447 H THR 55 HN THR 55 -6.234 -11.600 2.311 448 HA THR 55 HA THR 55 -8.538 -9.728 2.403 449 HB THR 55 HB THR 55 -7.468 -11.463 0.163 450 HG1 THR 55 HG1 THR 55 -6.856 -9.314 -0.598 451 HG21 THR 55 HG21 THR 55 -8.897 -9.773 -1.185 452 HG22 THR 55 HG22 THR 55 -9.718 -9.459 0.342 453 HG23 THR 55 HG23 THR 55 -9.738 -11.079 -0.354 454 H TYR 56 HN TYR 56 -10.519 -10.442 2.947 455 HA TYR 56 HA TYR 56 -10.983 -13.356 3.204 456 HB2 TYR 56 HB2 TYR 56 -12.619 -10.939 4.008 457 HB3 TYR 56 HB1 TYR 56 -13.119 -12.608 4.285 458 HD1 TYR 56 HD1 TYR 56 -10.512 -10.080 5.060 459 HD2 TYR 56 HD2 TYR 56 -12.186 -13.906 6.063 460 HE1 TYR 56 HE1 TYR 56 -9.137 -10.139 7.121 461 HE2 TYR 56 HE2 TYR 56 -10.813 -13.964 8.127 462 HH TYR 56 HH TYR 56 -9.696 -12.316 9.637 463 H TYR 57 HN TYR 57 -12.322 -14.489 1.853 464 HA TYR 57 HA TYR 57 -13.980 -12.962 -0.116 465 HB2 TYR 57 HB2 TYR 57 -13.216 -14.427 -1.915 466 HB3 TYR 57 HB1 TYR 57 -11.828 -13.618 -1.189 467 HD1 TYR 57 HD2 TYR 57 -10.400 -14.856 0.484 468 HD2 TYR 57 HD1 TYR 57 -13.454 -16.799 -1.830 469 HE1 TYR 57 HE2 TYR 57 -9.381 -17.062 0.988 470 HE2 TYR 57 HE1 TYR 57 -12.436 -19.001 -1.327 471 HH TYR 57 HH TYR 57 -9.476 -19.250 0.653 472 H SER 58 HN SER 58 -15.997 -13.771 -0.220 473 HA SER 58 HA SER 58 -16.468 -16.627 0.533 474 HB2 SER 58 HB2 SER 58 -16.960 -15.135 2.490 475 HB3 SER 58 HB1 SER 58 -18.139 -14.287 1.498 476 HG SER 58 HG SER 58 -18.249 -16.786 2.670 477 H ASP 59 HN ASP 59 -18.596 -17.384 -0.261 478 HA ASP 59 HA ASP 59 -19.049 -16.694 -2.986 479 HB2 ASP 59 HB2 ASP 59 -19.696 -18.859 -1.972 480 HB3 ASP 59 HB1 ASP 59 -20.929 -18.035 -1.017 481 H THR 60 HN THR 60 -20.832 -15.790 -0.023 482 HA THR 60 HA THR 60 -22.836 -14.229 -1.341 483 HB THR 60 HB THR 60 -21.735 -13.730 1.434 484 HG1 THR 60 HG1 THR 60 -22.329 -15.703 1.792 485 HG21 THR 60 HG21 THR 60 -23.989 -12.962 1.896 486 HG22 THR 60 HG22 THR 60 -24.526 -13.456 0.290 487 HG23 THR 60 HG23 THR 60 -23.390 -12.119 0.468 488 H LEU 61 HN LEU 61 -19.712 -13.326 0.129 489 HA LEU 61 HA LEU 61 -19.893 -10.526 -0.429 490 HB2 LEU 61 HB2 LEU 61 -17.489 -12.356 -0.149 491 HB3 LEU 61 HB1 LEU 61 -17.376 -10.601 -0.245 492 HG LEU 61 HG LEU 61 -18.978 -12.094 1.854 493 HD11 LEU 61 HD11 LEU 61 -16.706 -12.614 2.301 494 HD12 LEU 61 HD12 LEU 61 -17.066 -11.245 3.351 495 HD13 LEU 61 HD13 LEU 61 -16.162 -10.997 1.858 496 HD21 LEU 61 HD21 LEU 61 -19.907 -9.948 1.806 497 HD22 LEU 61 HD22 LEU 61 -18.402 -9.187 1.296 498 HD23 LEU 61 HD23 LEU 61 -18.604 -9.712 2.967 499 H HIS 62 HN HIS 62 -18.622 -13.259 -2.283 500 HA HIS 62 HA HIS 62 -17.475 -11.820 -4.434 501 HB2 HIS 62 HB2 HIS 62 -17.190 -14.248 -4.083 502 HB3 HIS 62 HB1 HIS 62 -18.889 -14.502 -4.492 503 HD1 HIS 62 HD1 HIS 62 -15.765 -12.986 -6.065 504 HD2 HIS 62 HD2 HIS 62 -19.318 -14.847 -7.198 505 HE1 HIS 62 HE1 HIS 62 -15.661 -13.256 -8.581 506 H LYS 63 HN LYS 63 -20.811 -13.019 -4.011 507 HA LYS 63 HA LYS 63 -21.769 -12.131 -6.556 508 HB2 LYS 63 HB2 LYS 63 -23.192 -12.584 -3.919 509 HB3 LYS 63 HB1 LYS 63 -24.023 -12.228 -5.433 510 HG2 LYS 63 HG2 LYS 63 -23.075 -14.231 -6.468 511 HG3 LYS 63 HG1 LYS 63 -22.125 -14.557 -5.020 512 HD2 LYS 63 HD2 LYS 63 -24.016 -15.977 -4.820 513 HD3 LYS 63 HD1 LYS 63 -24.363 -14.616 -3.756 514 HE2 LYS 63 HE2 LYS 63 -25.850 -13.627 -5.367 515 HE3 LYS 63 HE1 LYS 63 -25.336 -14.751 -6.624 516 HZ1 LYS 63 HZ1 LYS 63 -27.247 -15.745 -5.923 517 HZ2 LYS 63 HZ2 LYS 63 -27.093 -15.198 -4.321 518 HZ3 LYS 63 HZ3 LYS 63 -26.147 -16.497 -4.873 519 H SER 64 HN SER 64 -21.623 -10.538 -3.385 520 HA SER 64 HA SER 64 -22.971 -8.137 -4.325 521 HB2 SER 64 HB2 SER 64 -21.309 -8.671 -1.845 522 HB3 SER 64 HB1 SER 64 -22.251 -7.210 -2.125 523 HG SER 64 HG SER 64 -23.414 -8.766 -0.911 524 H ASN 65 HN ASN 65 -19.958 -9.405 -4.925 525 HA ASN 65 HA ASN 65 -17.995 -8.519 -5.831 526 HB2 ASN 65 HB2 ASN 65 -19.718 -7.378 -7.316 527 HB3 ASN 65 HB1 ASN 65 -19.578 -5.973 -6.258 528 HD21 ASN 65 HD21 ASN 65 -17.950 -7.817 -8.769 529 HD22 ASN 65 HD22 ASN 65 -16.618 -6.779 -8.930 530 H ILE 66 HN ILE 66 -18.267 -8.362 -3.024 531 HA ILE 66 HA ILE 66 -16.953 -5.731 -2.384 532 HB ILE 66 HB ILE 66 -18.367 -7.663 -0.510 533 HG12 ILE 66 HG12 ILE 66 -19.245 -4.938 -1.511 534 HG13 ILE 66 HG11 ILE 66 -19.853 -6.464 -2.154 535 HG21 ILE 66 HG21 ILE 66 -17.308 -4.845 -0.092 536 HG22 ILE 66 HG22 ILE 66 -16.550 -6.310 0.531 537 HG23 ILE 66 HG23 ILE 66 -18.141 -5.823 1.116 538 HD11 ILE 66 HD11 ILE 66 -21.396 -5.611 -0.457 539 HD12 ILE 66 HD12 ILE 66 -20.083 -5.517 0.717 540 HD13 ILE 66 HD13 ILE 66 -20.626 -7.088 0.125 541 H TYR 67 HN TYR 67 -14.844 -5.852 -1.810 542 HA TYR 67 HA TYR 67 -13.684 -8.542 -1.138 543 HB2 TYR 67 HB2 TYR 67 -12.575 -6.206 -2.699 544 HB3 TYR 67 HB1 TYR 67 -11.537 -7.466 -2.036 545 HD1 TYR 67 HD1 TYR 67 -12.106 -9.908 -2.609 546 HD2 TYR 67 HD2 TYR 67 -13.708 -6.546 -4.747 547 HE1 TYR 67 HE1 TYR 67 -12.676 -11.391 -4.510 548 HE2 TYR 67 HE2 TYR 67 -14.277 -8.030 -6.653 549 HH TYR 67 HH TYR 67 -13.995 -10.080 -7.529 550 HA PRO 68 HA PRO 68 -12.981 -5.783 2.496 551 HB2 PRO 68 HB2 PRO 68 -13.755 -7.525 4.433 552 HB3 PRO 68 HB1 PRO 68 -14.917 -6.569 3.496 553 HG2 PRO 68 HG2 PRO 68 -14.223 -9.441 3.250 554 HG3 PRO 68 HG1 PRO 68 -15.769 -8.626 2.977 555 HD2 PRO 68 HD2 PRO 68 -13.950 -9.416 0.970 556 HD3 PRO 68 HD1 PRO 68 -15.303 -8.286 0.750 557 H PHE 69 HN PHE 69 -10.792 -5.650 3.017 558 HA PHE 69 HA PHE 69 -9.421 -8.182 3.858 559 HB2 PHE 69 HB2 PHE 69 -7.470 -7.652 2.540 560 HB3 PHE 69 HB1 PHE 69 -8.861 -7.606 1.463 561 HD1 PHE 69 HD1 PHE 69 -6.544 -5.499 3.459 562 HD2 PHE 69 HD2 PHE 69 -9.490 -5.592 0.333 563 HE1 PHE 69 HE1 PHE 69 -5.981 -3.160 2.862 564 HE2 PHE 69 HE2 PHE 69 -8.925 -3.250 -0.262 565 HZ PHE 69 HZ PHE 69 -7.173 -2.036 1.002 566 H ILE 70 HN ILE 70 -7.567 -7.840 5.197 567 HA ILE 70 HA ILE 70 -7.347 -5.119 6.424 568 HB ILE 70 HB ILE 70 -7.518 -7.770 7.894 569 HG12 ILE 70 HG12 ILE 70 -9.296 -5.323 8.068 570 HG13 ILE 70 HG11 ILE 70 -9.674 -6.729 7.073 571 HG21 ILE 70 HG21 ILE 70 -7.423 -6.164 9.905 572 HG22 ILE 70 HG22 ILE 70 -6.821 -4.961 8.767 573 HG23 ILE 70 HG23 ILE 70 -5.911 -6.445 9.043 574 HD11 ILE 70 HD11 ILE 70 -9.786 -8.162 8.994 575 HD12 ILE 70 HD12 ILE 70 -10.734 -6.727 9.382 576 HD13 ILE 70 HD13 ILE 70 -9.108 -6.916 10.040 577 H LEU 71 HN LEU 71 -5.229 -4.647 7.193 578 HA LEU 71 HA LEU 71 -3.111 -6.482 6.126 579 HB2 LEU 71 HB2 LEU 71 -2.915 -3.552 6.875 580 HB3 LEU 71 HB1 LEU 71 -1.686 -4.514 6.052 581 HG LEU 71 HG LEU 71 -4.454 -3.878 4.991 582 HD11 LEU 71 HD11 LEU 71 -3.362 -2.432 3.440 583 HD12 LEU 71 HD12 LEU 71 -1.766 -3.012 3.911 584 HD13 LEU 71 HD13 LEU 71 -2.712 -2.025 5.026 585 HD21 LEU 71 HD21 LEU 71 -3.975 -5.962 4.046 586 HD22 LEU 71 HD22 LEU 71 -2.235 -5.668 4.015 587 HD23 LEU 71 HD23 LEU 71 -3.287 -4.870 2.848 588 H TYR 72 HN TYR 72 -1.571 -7.289 7.442 589 HA TYR 72 HA TYR 72 -1.531 -6.430 10.315 590 HB2 TYR 72 HB2 TYR 72 -1.455 -9.254 9.202 591 HB3 TYR 72 HB1 TYR 72 -1.167 -8.833 10.890 592 HD1 TYR 72 HD1 TYR 72 -2.990 -7.652 12.191 593 HD2 TYR 72 HD2 TYR 72 -3.668 -9.434 8.344 594 HE1 TYR 72 HE1 TYR 72 -5.432 -7.646 12.621 595 HE2 TYR 72 HE2 TYR 72 -6.111 -9.429 8.772 596 HH TYR 72 HH TYR 72 -7.479 -9.231 11.596 597 H TYR 73 HN TYR 73 0.532 -6.640 11.324 598 HA TYR 73 HA TYR 73 2.814 -7.489 9.633 599 HB2 TYR 73 HB2 TYR 73 2.614 -5.121 9.101 600 HB3 TYR 73 HB1 TYR 73 2.537 -4.704 10.812 601 HD1 TYR 73 HD2 TYR 73 4.722 -6.367 8.266 602 HD2 TYR 73 HD1 TYR 73 4.513 -4.298 12.025 603 HE1 TYR 73 HE2 TYR 73 7.200 -6.272 8.353 604 HE2 TYR 73 HE1 TYR 73 6.989 -4.203 12.111 605 HH TYR 73 HH TYR 73 8.883 -4.665 11.057 606 H GLN 74 HN GLN 74 3.035 -9.167 11.153 607 HA GLN 74 HA GLN 74 3.975 -10.197 13.012 608 HB2 GLN 74 HB2 GLN 74 5.776 -8.464 12.546 609 HB3 GLN 74 HB1 GLN 74 5.031 -7.479 13.803 610 HG2 GLN 74 HG2 GLN 74 6.806 -8.748 14.831 611 HG3 GLN 74 HG1 GLN 74 5.275 -9.433 15.374 612 HE21 GLN 74 HE21 GLN 74 5.882 -11.634 15.623 613 HE22 GLN 74 HE22 GLN 74 6.479 -12.591 14.353 614 H LYS 75 HN LYS 75 1.525 -10.141 13.541 615 HA LYS 75 HA LYS 75 -0.164 -9.924 15.150 616 HB2 LYS 75 HB2 LYS 75 2.327 -9.751 16.870 617 HB3 LYS 75 HB1 LYS 75 0.698 -9.863 17.537 618 HG2 LYS 75 HG2 LYS 75 0.343 -11.981 16.303 619 HG3 LYS 75 HG1 LYS 75 1.982 -11.876 15.662 620 HD2 LYS 75 HD2 LYS 75 2.896 -11.974 17.950 621 HD3 LYS 75 HD1 LYS 75 1.260 -12.051 18.607 622 HE2 LYS 75 HE2 LYS 75 0.869 -14.163 17.375 623 HE3 LYS 75 HE1 LYS 75 2.514 -14.092 16.742 624 HZ1 LYS 75 HZ1 LYS 75 1.924 -15.417 18.923 625 HZ2 LYS 75 HZ2 LYS 75 2.164 -13.894 19.637 626 HZ3 LYS 75 HZ3 LYS 75 3.411 -14.621 18.742 627 H GLN 76 HN GLN 76 0.431 -7.516 13.765 628 HA GLN 76 HA GLN 76 -0.463 -5.573 15.816 629 HB2 GLN 76 HB2 GLN 76 2.114 -5.506 15.485 630 HB3 GLN 76 HB1 GLN 76 1.752 -4.784 13.918 631 HG2 GLN 76 HG2 GLN 76 0.728 -3.724 16.571 632 HG3 GLN 76 HG1 GLN 76 2.128 -3.083 15.713 633 HE21 GLN 76 HE21 GLN 76 -0.660 -1.883 16.288 634 HE22 GLN 76 HE22 GLN 76 -1.198 -1.363 14.764 635 H LEU 77 HN LEU 77 -2.268 -4.691 14.989 636 HA LEU 77 HA LEU 77 -2.996 -4.908 12.206 637 HB2 LEU 77 HB2 LEU 77 -4.683 -4.819 13.987 638 HB3 LEU 77 HB1 LEU 77 -4.155 -3.198 14.429 639 HG LEU 77 HG LEU 77 -4.829 -2.353 12.218 640 HD11 LEU 77 HD11 LEU 77 -4.558 -4.081 10.673 641 HD12 LEU 77 HD12 LEU 77 -6.309 -4.069 10.868 642 HD13 LEU 77 HD13 LEU 77 -5.338 -5.277 11.709 643 HD21 LEU 77 HD21 LEU 77 -7.073 -4.011 13.395 644 HD22 LEU 77 HD22 LEU 77 -7.202 -2.470 12.548 645 HD23 LEU 77 HD23 LEU 77 -6.462 -2.536 14.147 646 H ILE 78 HN ILE 78 -2.581 -3.517 10.543 647 HA ILE 78 HA ILE 78 -1.182 -0.946 11.173 648 HB ILE 78 HB ILE 78 -1.352 -2.559 8.615 649 HG12 ILE 78 HG12 ILE 78 0.069 -3.372 10.670 650 HG13 ILE 78 HG11 ILE 78 0.799 -3.365 9.069 651 HG21 ILE 78 HG21 ILE 78 0.547 -0.933 7.968 652 HG22 ILE 78 HG22 ILE 78 -0.052 0.079 9.282 653 HG23 ILE 78 HG23 ILE 78 -1.106 -0.321 7.925 654 HD11 ILE 78 HD11 ILE 78 2.164 -2.356 11.029 655 HD12 ILE 78 HD12 ILE 78 1.078 -0.976 10.897 656 HD13 ILE 78 HD13 ILE 78 2.082 -1.439 9.527 657 H ALA 79 HN ALA 79 -3.531 -2.199 8.763 658 HA ALA 79 HA ALA 79 -5.218 0.173 9.183 659 HB1 ALA 79 HB1 ALA 79 -3.410 0.907 7.578 660 HB2 ALA 79 HB2 ALA 79 -5.043 1.012 6.922 661 HB3 ALA 79 HB3 ALA 79 -3.991 -0.321 6.455 662 H ILE 80 HN ILE 80 -7.219 0.025 7.895 663 HA ILE 80 HA ILE 80 -7.835 -2.779 6.999 664 HB ILE 80 HB ILE 80 -9.631 -0.812 8.458 665 HG12 ILE 80 HG12 ILE 80 -8.558 -3.507 9.339 666 HG13 ILE 80 HG11 ILE 80 -7.849 -1.967 9.813 667 HG21 ILE 80 HG21 ILE 80 -11.036 -3.082 8.504 668 HG22 ILE 80 HG22 ILE 80 -10.127 -3.410 7.033 669 HG23 ILE 80 HG23 ILE 80 -11.148 -1.978 7.137 670 HD11 ILE 80 HD11 ILE 80 -10.633 -2.974 10.442 671 HD12 ILE 80 HD12 ILE 80 -10.114 -1.313 10.728 672 HD13 ILE 80 HD13 ILE 80 -9.332 -2.642 11.584 673 H GLY 81 HN GLY 81 -8.579 -2.864 4.925 674 HA2 GLY 81 HA2 GLY 81 -9.716 -0.362 3.707 675 HA3 GLY 81 HA1 GLY 81 -8.504 -1.320 2.856 676 H PHE 82 HN PHE 82 -11.817 -0.936 3.489 677 HA PHE 82 HA PHE 82 -12.463 -3.641 2.407 678 HB2 PHE 82 HB2 PHE 82 -13.925 -1.666 4.114 679 HB3 PHE 82 HB1 PHE 82 -14.882 -2.720 3.084 680 HD1 PHE 82 HD2 PHE 82 -11.665 -3.428 4.885 681 HD2 PHE 82 HD1 PHE 82 -15.856 -4.268 4.554 682 HE1 PHE 82 HE2 PHE 82 -11.416 -5.281 6.496 683 HE2 PHE 82 HE1 PHE 82 -15.610 -6.124 6.176 684 HZ PHE 82 HZ PHE 82 -13.387 -6.635 7.145 685 H ILE 83 HN ILE 83 -13.074 -3.776 0.321 686 HA ILE 83 HA ILE 83 -13.628 -1.225 -1.139 687 HB ILE 83 HB ILE 83 -12.985 -3.986 -2.200 688 HG12 ILE 83 HG12 ILE 83 -11.222 -1.530 -1.978 689 HG13 ILE 83 HG11 ILE 83 -11.152 -2.900 -0.872 690 HG21 ILE 83 HG21 ILE 83 -14.233 -2.643 -3.794 691 HG22 ILE 83 HG22 ILE 83 -12.544 -2.697 -4.300 692 HG23 ILE 83 HG23 ILE 83 -13.182 -1.258 -3.502 693 HD11 ILE 83 HD11 ILE 83 -10.710 -3.048 -3.869 694 HD12 ILE 83 HD12 ILE 83 -10.612 -4.403 -2.744 695 HD13 ILE 83 HD13 ILE 83 -9.439 -3.089 -2.647 696 H ASP 84 HN ASP 84 -15.696 -0.771 -1.580 697 HA ASP 84 HA ASP 84 -17.754 -2.894 -1.372 698 HB2 ASP 84 HB2 ASP 84 -17.846 0.123 -1.546 699 HB3 ASP 84 HB1 ASP 84 -19.300 -0.869 -1.653 700 H GLU 85 HN GLU 85 -19.620 -2.541 -3.048 701 HA GLU 85 HA GLU 85 -18.939 -3.464 -5.532 702 HB2 GLU 85 HB2 GLU 85 -21.263 -3.210 -4.656 703 HB3 GLU 85 HB1 GLU 85 -21.169 -1.482 -5.000 704 HG2 GLU 85 HG2 GLU 85 -20.917 -1.887 -7.361 705 HG3 GLU 85 HG1 GLU 85 -20.732 -3.622 -7.101 706 H ASN 86 HN ASN 86 -18.931 -2.407 -7.625 707 HA ASN 86 HA ASN 86 -18.038 -0.917 -9.175 708 HB2 ASN 86 HB2 ASN 86 -18.607 1.204 -7.083 709 HB3 ASN 86 HB1 ASN 86 -18.407 1.444 -8.816 710 HD21 ASN 86 HD21 ASN 86 -19.958 -0.807 -9.733 711 HD22 ASN 86 HD22 ASN 86 -21.583 -0.522 -9.334 712 H HIS 87 HN HIS 87 -16.500 -2.008 -6.677 713 HA HIS 87 HA HIS 87 -14.261 -1.989 -6.016 714 HB2 HIS 87 HB2 HIS 87 -13.950 -1.746 -8.557 715 HB3 HIS 87 HB1 HIS 87 -13.721 -0.027 -8.255 716 HD1 HIS 87 HD1 HIS 87 -12.298 -3.334 -6.989 717 HD2 HIS 87 HD2 HIS 87 -11.122 0.614 -7.625 718 HE1 HIS 87 HE1 HIS 87 -9.827 -3.225 -6.444 719 H ASP 88 HN ASP 88 -16.336 0.269 -5.427 720 HA ASP 88 HA ASP 88 -14.917 2.683 -4.922 721 HB2 ASP 88 HB2 ASP 88 -17.384 2.478 -4.825 722 HB3 ASP 88 HB1 ASP 88 -17.238 1.488 -3.371 723 H MET 89 HN MET 89 -13.130 2.862 -3.670 724 HA MET 89 HA MET 89 -12.516 0.891 -1.605 725 HB2 MET 89 HB2 MET 89 -11.145 3.455 -2.455 726 HB3 MET 89 HB1 MET 89 -10.505 2.348 -1.241 727 HG2 MET 89 HG2 MET 89 -10.521 0.521 -2.914 728 HG3 MET 89 HG1 MET 89 -11.120 1.652 -4.126 729 HE1 MET 89 HE1 MET 89 -7.095 1.540 -2.012 730 HE2 MET 89 HE2 MET 89 -7.775 0.092 -2.749 731 HE3 MET 89 HE3 MET 89 -8.667 0.927 -1.483 732 H ASP 90 HN ASP 90 -12.728 1.145 0.583 733 HA ASP 90 HA ASP 90 -13.550 3.804 1.663 734 HB2 ASP 90 HB2 ASP 90 -15.575 2.336 1.199 735 HB3 ASP 90 HB1 ASP 90 -14.941 1.216 2.406 736 H PHE 91 HN PHE 91 -11.821 4.175 2.985 737 HA PHE 91 HA PHE 91 -10.713 1.915 4.593 738 HB2 PHE 91 HB2 PHE 91 -9.720 4.696 3.919 739 HB3 PHE 91 HB1 PHE 91 -8.931 3.671 5.120 740 HD1 PHE 91 HD2 PHE 91 -7.868 1.551 4.466 741 HD2 PHE 91 HD1 PHE 91 -9.627 4.167 1.550 742 HE1 PHE 91 HE2 PHE 91 -6.705 0.317 2.659 743 HE2 PHE 91 HE1 PHE 91 -8.461 2.933 -0.260 744 HZ PHE 91 HZ PHE 91 -7.001 1.008 0.295 745 H LEU 92 HN LEU 92 -11.640 1.685 6.563 746 HA LEU 92 HA LEU 92 -12.833 4.061 7.910 747 HB2 LEU 92 HB2 LEU 92 -13.039 1.088 8.480 748 HB3 LEU 92 HB1 LEU 92 -13.836 2.347 9.419 749 HG LEU 92 HG LEU 92 -14.914 3.141 7.261 750 HD11 LEU 92 HD11 LEU 92 -13.499 0.678 6.262 751 HD12 LEU 92 HD12 LEU 92 -13.751 2.230 5.465 752 HD13 LEU 92 HD13 LEU 92 -15.079 1.084 5.586 753 HD21 LEU 92 HD21 LEU 92 -15.506 0.342 8.252 754 HD22 LEU 92 HD22 LEU 92 -16.615 1.317 7.293 755 HD23 LEU 92 HD23 LEU 92 -16.155 1.840 8.911 756 H TYR 93 HN TYR 93 -10.005 2.139 7.964 757 HA TYR 93 HA TYR 93 -9.170 3.501 10.461 758 HB2 TYR 93 HB2 TYR 93 -10.147 1.196 11.035 759 HB3 TYR 93 HB1 TYR 93 -8.773 0.517 10.166 760 HD1 TYR 93 HD2 TYR 93 -9.653 2.885 12.913 761 HD2 TYR 93 HD1 TYR 93 -6.665 0.300 11.225 762 HE1 TYR 93 HE2 TYR 93 -8.226 3.230 14.911 763 HE2 TYR 93 HE1 TYR 93 -5.238 0.647 13.224 764 HH TYR 93 HH TYR 93 -4.938 1.976 15.059 765 H LEU 94 HN LEU 94 -7.189 4.306 10.115 766 HA LEU 94 HA LEU 94 -5.285 2.805 8.374 767 HB2 LEU 94 HB2 LEU 94 -6.233 4.534 6.940 768 HB3 LEU 94 HB1 LEU 94 -5.960 5.754 8.178 769 HG LEU 94 HG LEU 94 -3.544 5.489 7.980 770 HD11 LEU 94 HD11 LEU 94 -4.329 3.166 6.225 771 HD12 LEU 94 HD12 LEU 94 -3.140 3.227 7.525 772 HD13 LEU 94 HD13 LEU 94 -2.783 3.978 5.972 773 HD21 LEU 94 HD21 LEU 94 -4.879 5.695 5.262 774 HD22 LEU 94 HD22 LEU 94 -3.258 6.269 5.652 775 HD23 LEU 94 HD23 LEU 94 -4.664 7.021 6.405 776 H HIS 95 HN HIS 95 -3.874 2.234 9.982 777 HA HIS 95 HA HIS 95 -2.785 4.446 11.694 778 HB2 HIS 95 HB2 HIS 95 -4.098 2.680 12.925 779 HB3 HIS 95 HB1 HIS 95 -2.877 1.511 12.415 780 HD1 HIS 95 HD1 HIS 95 -0.296 2.322 13.049 781 HD2 HIS 95 HD2 HIS 95 -3.416 3.959 15.275 782 HE1 HIS 95 HE1 HIS 95 0.743 3.242 15.168 783 H ASN 96 HN ASN 96 -0.806 4.963 10.977 784 HA ASN 96 HA ASN 96 0.785 3.097 9.399 785 HB2 ASN 96 HB2 ASN 96 1.267 5.886 10.465 786 HB3 ASN 96 HB1 ASN 96 2.488 4.997 9.554 787 HD21 ASN 96 HD21 ASN 96 1.314 7.427 8.549 788 HD22 ASN 96 HD22 ASN 96 0.394 7.041 7.175 789 H THR 97 HN THR 97 3.209 2.914 10.076 790 HA THR 97 HA THR 97 3.364 1.404 12.486 791 HB THR 97 HB THR 97 5.699 2.751 11.113 792 HG1 THR 97 HG1 THR 97 5.513 0.472 10.058 793 HG21 THR 97 HG21 THR 97 5.946 1.415 13.289 794 HG22 THR 97 HG22 THR 97 6.962 0.917 11.936 795 HG23 THR 97 HG23 THR 97 5.511 -0.004 12.335 796 H VAL 98 HN VAL 98 4.339 4.764 11.754 797 HA VAL 98 HA VAL 98 5.295 5.222 14.469 798 HB VAL 98 HB VAL 98 5.056 7.730 13.556 799 HG11 VAL 98 HG11 VAL 98 7.207 6.746 13.969 800 HG12 VAL 98 HG12 VAL 98 7.242 7.382 12.325 801 HG13 VAL 98 HG13 VAL 98 7.040 5.651 12.596 802 HG21 VAL 98 HG21 VAL 98 3.693 6.686 11.562 803 HG22 VAL 98 HG22 VAL 98 5.282 6.256 10.934 804 HG23 VAL 98 HG23 VAL 98 4.880 7.946 11.226 805 H MET 99 HN MET 99 3.037 7.490 13.031 806 HA MET 99 HA MET 99 1.136 6.970 15.289 807 HB2 MET 99 HB2 MET 99 0.634 9.517 14.948 808 HB3 MET 99 HB1 MET 99 2.081 9.046 15.837 809 HG2 MET 99 HG2 MET 99 3.486 9.435 13.939 810 HG3 MET 99 HG1 MET 99 2.098 9.582 12.859 811 HE1 MET 99 HE1 MET 99 3.011 12.096 11.960 812 HE2 MET 99 HE2 MET 99 4.365 11.427 12.869 813 HE3 MET 99 HE3 MET 99 3.866 13.094 13.143 814 HA PRO 100 HA PRO 100 -1.940 6.522 12.138 815 HB2 PRO 100 HB2 PRO 100 -4.203 7.320 13.477 816 HB3 PRO 100 HB1 PRO 100 -3.390 5.772 13.784 817 HG2 PRO 100 HG2 PRO 100 -3.218 8.334 15.314 818 HG3 PRO 100 HG1 PRO 100 -3.325 6.668 15.914 819 HD2 PRO 100 HD2 PRO 100 -0.960 8.032 15.812 820 HD3 PRO 100 HD1 PRO 100 -1.056 6.267 15.618 821 H LEU 101 HN LEU 101 -3.210 7.717 10.639 822 HA LEU 101 HA LEU 101 -2.770 10.678 10.735 823 HB2 LEU 101 HB2 LEU 101 -3.557 8.959 8.365 824 HB3 LEU 101 HB1 LEU 101 -2.984 10.626 8.334 825 HG LEU 101 HG LEU 101 -1.371 8.233 9.264 826 HD11 LEU 101 HD11 LEU 101 -0.003 8.916 7.184 827 HD12 LEU 101 HD12 LEU 101 -1.435 9.822 6.694 828 HD13 LEU 101 HD13 LEU 101 -1.525 8.072 6.907 829 HD21 LEU 101 HD21 LEU 101 -0.538 10.090 10.468 830 HD22 LEU 101 HD22 LEU 101 -0.817 11.201 9.128 831 HD23 LEU 101 HD23 LEU 101 0.500 10.031 9.046 832 H LEU 102 HN LEU 102 -5.187 8.154 10.667 833 HA LEU 102 HA LEU 102 -7.274 10.007 11.382 834 HB2 LEU 102 HB2 LEU 102 -8.655 9.739 9.327 835 HB3 LEU 102 HB1 LEU 102 -7.165 10.633 9.040 836 HG LEU 102 HG LEU 102 -6.350 8.009 8.572 837 HD11 LEU 102 HD11 LEU 102 -8.790 7.329 8.737 838 HD12 LEU 102 HD12 LEU 102 -7.994 6.899 7.224 839 HD13 LEU 102 HD13 LEU 102 -9.076 8.290 7.285 840 HD21 LEU 102 HD21 LEU 102 -6.501 8.629 6.150 841 HD22 LEU 102 HD22 LEU 102 -5.765 9.883 7.149 842 HD23 LEU 102 HD23 LEU 102 -7.436 10.052 6.614 843 H ASP 103 HN ASP 103 -9.021 8.891 12.238 844 HA ASP 103 HA ASP 103 -9.706 6.197 11.474 845 HB2 ASP 103 HB2 ASP 103 -9.132 5.118 13.661 846 HB3 ASP 103 HB1 ASP 103 -7.708 5.592 12.736 847 H GLN 104 HN GLN 104 -11.888 6.189 11.786 848 HA GLN 104 HA GLN 104 -13.017 7.993 13.895 849 HB2 GLN 104 HB2 GLN 104 -14.308 6.695 11.476 850 HB3 GLN 104 HB1 GLN 104 -15.120 7.772 12.610 851 HG2 GLN 104 HG2 GLN 104 -12.690 8.515 10.955 852 HG3 GLN 104 HG1 GLN 104 -14.348 8.976 10.572 853 HE21 GLN 104 HE21 GLN 104 -11.714 10.425 11.697 854 HE22 GLN 104 HE22 GLN 104 -12.363 11.435 12.896 855 H ARG 105 HN ARG 105 -13.431 6.981 15.731 856 HA ARG 105 HA ARG 105 -13.839 4.124 15.960 857 HB2 ARG 105 HB2 ARG 105 -14.273 6.378 17.943 858 HB3 ARG 105 HB1 ARG 105 -14.229 4.664 18.350 859 HG2 ARG 105 HG2 ARG 105 -11.919 5.996 16.927 860 HG3 ARG 105 HG1 ARG 105 -12.054 6.035 18.683 861 HD2 ARG 105 HD2 ARG 105 -12.205 3.526 18.665 862 HD3 ARG 105 HD1 ARG 105 -11.882 3.569 16.933 863 HE ARG 105 HE ARG 105 -9.904 4.938 18.645 864 HH11 ARG 105 HH21 ARG 105 -10.876 2.148 16.847 865 HH12 ARG 105 HH22 ARG 105 -9.274 1.506 16.735 866 HH21 ARG 105 HH11 ARG 105 -7.816 4.098 18.515 867 HH22 ARG 105 HH12 ARG 105 -7.544 2.604 17.681 868 H TYR 106 HN TYR 106 -15.947 6.967 16.030 869 HA TYR 106 HA TYR 106 -18.331 5.671 16.855 870 HB2 TYR 106 HB2 TYR 106 -19.423 7.642 16.243 871 HB3 TYR 106 HB1 TYR 106 -17.767 8.219 16.411 872 HD1 TYR 106 HD2 TYR 106 -20.375 7.185 13.998 873 HD2 TYR 106 HD1 TYR 106 -16.484 8.939 14.479 874 HE1 TYR 106 HE2 TYR 106 -20.398 7.880 11.619 875 HE2 TYR 106 HE1 TYR 106 -16.507 9.632 12.095 876 HH TYR 106 HH TYR 106 -19.340 9.522 10.175 877 H LEU 107 HN LEU 107 -16.982 6.193 13.621 878 HA LEU 107 HA LEU 107 -19.107 4.996 12.170 879 HB2 LEU 107 HB2 LEU 107 -17.380 6.371 11.097 880 HB3 LEU 107 HB1 LEU 107 -16.151 5.174 11.500 881 HG LEU 107 HG LEU 107 -17.270 3.511 10.087 882 HD11 LEU 107 HD11 LEU 107 -19.142 4.529 8.543 883 HD12 LEU 107 HD12 LEU 107 -19.352 5.675 9.867 884 HD13 LEU 107 HD13 LEU 107 -19.565 3.948 10.151 885 HD21 LEU 107 HD21 LEU 107 -15.608 5.018 9.064 886 HD22 LEU 107 HD22 LEU 107 -16.888 6.168 8.675 887 HD23 LEU 107 HD23 LEU 107 -16.863 4.582 7.904 888 H LEU 108 HN LEU 108 -16.119 3.608 13.529 889 HA LEU 108 HA LEU 108 -16.797 0.937 12.541 890 HB2 LEU 108 HB2 LEU 108 -14.676 1.982 14.422 891 HB3 LEU 108 HB1 LEU 108 -14.820 0.278 13.995 892 HG LEU 108 HG LEU 108 -14.537 2.499 11.944 893 HD11 LEU 108 HD11 LEU 108 -12.192 2.000 11.816 894 HD12 LEU 108 HD12 LEU 108 -12.357 0.634 12.919 895 HD13 LEU 108 HD13 LEU 108 -12.559 2.280 13.517 896 HD21 LEU 108 HD21 LEU 108 -13.645 0.347 10.656 897 HD22 LEU 108 HD22 LEU 108 -15.370 0.659 10.764 898 HD23 LEU 108 HD23 LEU 108 -14.625 -0.516 11.841 899 H THR 109 HN THR 109 -17.845 2.820 15.116 900 HA THR 109 HA THR 109 -18.718 0.384 16.652 901 HB THR 109 HB THR 109 -18.714 1.805 18.664 902 HG1 THR 109 HG1 THR 109 -18.548 3.722 16.812 903 HG21 THR 109 HG21 THR 109 -16.177 1.664 17.037 904 HG22 THR 109 HG22 THR 109 -16.663 0.660 18.403 905 HG23 THR 109 HG23 THR 109 -16.183 2.336 18.667 906 H GLY 110 HN GLY 110 -19.760 2.449 14.451 907 HA2 GLY 110 HA2 GLY 110 -22.083 3.670 15.595 908 HA3 GLY 110 HA1 GLY 110 -21.829 3.381 13.876 909 H GLY 111 HN GLY 111 -24.354 3.077 14.773 910 HA2 GLY 111 HA2 GLY 111 -26.035 1.440 14.311 911 HA3 GLY 111 HA1 GLY 111 -24.812 0.173 14.428 912 H GLN 112 HN GLN 112 -24.351 2.229 16.988 913 HA GLN 112 HA GLN 112 -26.172 0.669 18.799 914 HB2 GLN 112 HB2 GLN 112 -23.811 -0.089 19.010 915 HB3 GLN 112 HB1 GLN 112 -23.329 1.569 19.376 916 HG2 GLN 112 HG2 GLN 112 -24.701 1.587 21.376 917 HG3 GLN 112 HG1 GLN 112 -25.368 0.003 20.981 918 HE21 GLN 112 HE21 GLN 112 -23.989 0.454 23.446 919 HE22 GLN 112 HE22 GLN 112 -22.541 -0.432 23.422 920 H LEU 113 HN LEU 113 -24.321 3.653 18.295 921 HA LEU 113 HA LEU 113 -25.665 5.006 20.503 922 HB2 LEU 113 HB2 LEU 113 -23.715 5.839 18.363 923 HB3 LEU 113 HB1 LEU 113 -24.500 7.054 19.371 924 HG LEU 113 HG LEU 113 -22.264 6.275 20.243 925 HD11 LEU 113 HD11 LEU 113 -24.243 5.364 22.303 926 HD12 LEU 113 HD12 LEU 113 -24.427 7.004 21.684 927 HD13 LEU 113 HD13 LEU 113 -22.915 6.513 22.439 928 HD21 LEU 113 HD21 LEU 113 -21.984 4.051 21.059 929 HD22 LEU 113 HD22 LEU 113 -22.715 3.875 19.464 930 HD23 LEU 113 HD23 LEU 113 -23.707 3.701 20.911 931 H GLU 114 HN GLU 114 -27.390 6.333 20.412 932 HA GLU 114 HA GLU 114 -28.427 7.344 17.856 933 HB2 GLU 114 HB2 GLU 114 -29.401 5.055 18.002 934 HB3 GLU 114 HB1 GLU 114 -30.093 5.470 19.570 935 HG2 GLU 114 HG2 GLU 114 -31.405 7.271 18.545 936 HG3 GLU 114 HG1 GLU 114 -30.679 6.928 16.975 937 H HIS 115 HN HIS 115 -28.809 6.928 21.355 938 HA HIS 115 HA HIS 115 -30.040 9.668 21.488 939 HB2 HIS 115 HB2 HIS 115 -31.542 7.756 22.164 940 HB3 HIS 115 HB1 HIS 115 -30.413 7.412 23.475 941 HD1 HIS 115 HD1 HIS 115 -30.277 9.123 25.424 942 HD2 HIS 115 HD2 HIS 115 -33.072 10.139 22.503 943 HE1 HIS 115 HE1 HIS 115 -31.684 10.992 26.397 944 H HIS 116 HN HIS 116 -28.750 11.118 22.425 945 HA HIS 116 HA HIS 116 -27.335 10.640 24.885 946 HB2 HIS 116 HB2 HIS 116 -25.788 9.447 23.338 947 HB3 HIS 116 HB1 HIS 116 -25.623 10.925 22.389 948 HD1 HIS 116 HD1 HIS 116 -25.181 9.851 26.030 949 HD2 HIS 116 HD2 HIS 116 -23.534 12.504 23.268 950 HE1 HIS 116 HE1 HIS 116 -23.242 10.988 27.197 951 H HIS 117 HN HIS 117 -29.116 12.530 24.470 952 HA HIS 117 HA HIS 117 -27.950 14.979 23.362 953 HB2 HIS 117 HB2 HIS 117 -30.399 14.451 23.243 954 HB3 HIS 117 HB1 HIS 117 -30.483 14.634 24.996 955 HD1 HIS 117 HD1 HIS 117 -30.130 17.034 25.970 956 HD2 HIS 117 HD2 HIS 117 -30.159 16.881 21.804 957 HE1 HIS 117 HE1 HIS 117 -30.325 19.428 25.166 958 H HIS 118 HN HIS 118 -26.789 16.454 24.504 959 HA HIS 118 HA HIS 118 -26.431 15.998 27.415 960 HB2 HIS 118 HB2 HIS 118 -24.524 17.525 27.191 961 HB3 HIS 118 HB1 HIS 118 -24.435 16.254 25.973 962 HD1 HIS 118 HD1 HIS 118 -25.385 16.964 23.521 963 HD2 HIS 118 HD2 HIS 118 -24.500 20.090 26.135 964 HE1 HIS 118 HE1 HIS 118 -25.201 19.054 22.102 965 H HIS 119 HN HIS 119 -27.680 17.126 28.791 966 HA HIS 119 HA HIS 119 -29.347 19.336 28.011 967 HB2 HIS 119 HB2 HIS 119 -28.495 18.222 30.691 968 HB3 HIS 119 HB1 HIS 119 -29.599 19.590 30.547 969 HD1 HIS 119 HD1 HIS 119 -29.312 15.933 29.563 970 HD2 HIS 119 HD2 HIS 119 -32.227 18.892 29.915 971 HE1 HIS 119 HE1 HIS 119 -31.546 14.782 29.237 972 H HIS 120 HN HIS 120 -26.211 19.102 29.637 973 HA HIS 120 HA HIS 120 -25.905 21.802 30.423 974 HB2 HIS 120 HB2 HIS 120 -24.378 19.959 31.080 975 HB3 HIS 120 HB1 HIS 120 -23.770 19.890 29.427 976 HD1 HIS 120 HD1 HIS 120 -24.148 22.500 32.190 977 HD2 HIS 120 HD2 HIS 120 -21.595 21.537 29.039 978 HE1 HIS 120 HE1 HIS 120 -22.232 24.153 32.290 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -6.789 -8.090 18.985 2 H2 MET 1 HT2 MET 1 -8.276 -7.276 18.873 3 H3 MET 1 HT3 MET 1 -7.684 -8.156 17.546 4 HA MET 1 HA MET 1 -7.971 -10.222 18.686 5 HB2 MET 1 HB2 MET 1 -8.781 -8.420 20.991 6 HB3 MET 1 HB1 MET 1 -9.046 -10.164 20.969 7 HG2 MET 1 HG2 MET 1 -6.622 -10.536 20.705 8 HG3 MET 1 HG1 MET 1 -6.351 -8.793 20.719 9 HE1 MET 1 HE1 MET 1 -4.879 -9.972 24.061 10 HE2 MET 1 HE2 MET 1 -4.783 -8.572 22.995 11 HE3 MET 1 HE3 MET 1 -4.689 -10.195 22.316 12 H THR 2 HN THR 2 -10.210 -7.597 19.593 13 HA THR 2 HA THR 2 -12.447 -9.094 18.300 14 HB THR 2 HB THR 2 -13.837 -7.295 19.476 15 HG1 THR 2 HG1 THR 2 -12.718 -6.251 21.186 16 HG21 THR 2 HG21 THR 2 -13.477 -8.363 21.734 17 HG22 THR 2 HG22 THR 2 -12.090 -9.205 21.042 18 HG23 THR 2 HG23 THR 2 -13.709 -9.505 20.410 19 H LEU 3 HN LEU 3 -10.199 -6.879 17.413 20 HA LEU 3 HA LEU 3 -11.692 -4.780 16.157 21 HB2 LEU 3 HB2 LEU 3 -9.051 -5.952 15.200 22 HB3 LEU 3 HB1 LEU 3 -9.661 -4.323 14.912 23 HG LEU 3 HG LEU 3 -8.973 -5.474 17.633 24 HD11 LEU 3 HD11 LEU 3 -7.564 -3.233 16.174 25 HD12 LEU 3 HD12 LEU 3 -7.060 -4.914 15.998 26 HD13 LEU 3 HD13 LEU 3 -7.010 -4.138 17.582 27 HD21 LEU 3 HD21 LEU 3 -10.125 -2.844 16.695 28 HD22 LEU 3 HD22 LEU 3 -9.180 -2.924 18.182 29 HD23 LEU 3 HD23 LEU 3 -10.655 -3.872 18.027 30 H GLU 4 HN GLU 4 -10.618 -7.959 15.034 31 HA GLU 4 HA GLU 4 -11.475 -7.713 12.315 32 HB2 GLU 4 HB2 GLU 4 -11.135 -10.139 14.118 33 HB3 GLU 4 HB1 GLU 4 -11.453 -10.245 12.385 34 HG2 GLU 4 HG2 GLU 4 -9.400 -9.009 11.898 35 HG3 GLU 4 HG1 GLU 4 -9.094 -8.786 13.619 36 H LEU 5 HN LEU 5 -13.115 -8.751 15.272 37 HA LEU 5 HA LEU 5 -15.513 -9.726 14.071 38 HB2 LEU 5 HB2 LEU 5 -14.973 -10.178 16.430 39 HB3 LEU 5 HB1 LEU 5 -15.057 -8.457 16.803 40 HG LEU 5 HG LEU 5 -17.444 -8.416 16.250 41 HD11 LEU 5 HD11 LEU 5 -18.512 -10.775 15.885 42 HD12 LEU 5 HD12 LEU 5 -16.891 -11.249 15.375 43 HD13 LEU 5 HD13 LEU 5 -17.751 -9.970 14.516 44 HD21 LEU 5 HD21 LEU 5 -18.275 -9.731 18.098 45 HD22 LEU 5 HD22 LEU 5 -16.678 -9.137 18.549 46 HD23 LEU 5 HD23 LEU 5 -16.882 -10.810 18.027 47 H GLN 6 HN GLN 6 -14.528 -6.525 15.199 48 HA GLN 6 HA GLN 6 -16.993 -5.160 14.844 49 HB2 GLN 6 HB2 GLN 6 -14.112 -4.224 14.669 50 HB3 GLN 6 HB1 GLN 6 -15.480 -3.117 14.552 51 HG2 GLN 6 HG2 GLN 6 -15.056 -5.020 16.871 52 HG3 GLN 6 HG1 GLN 6 -14.529 -3.336 16.881 53 HE21 GLN 6 HE21 GLN 6 -16.296 -1.660 16.598 54 HE22 GLN 6 HE22 GLN 6 -17.866 -2.029 17.132 55 H LEU 7 HN LEU 7 -14.316 -5.767 12.589 56 HA LEU 7 HA LEU 7 -15.352 -4.231 10.423 57 HB2 LEU 7 HB2 LEU 7 -13.024 -5.033 10.463 58 HB3 LEU 7 HB1 LEU 7 -13.578 -6.706 10.369 59 HG LEU 7 HG LEU 7 -14.602 -6.247 8.166 60 HD11 LEU 7 HD11 LEU 7 -13.756 -3.444 8.855 61 HD12 LEU 7 HD12 LEU 7 -15.251 -4.015 8.113 62 HD13 LEU 7 HD13 LEU 7 -13.775 -3.932 7.159 63 HD21 LEU 7 HD21 LEU 7 -11.699 -5.540 8.551 64 HD22 LEU 7 HD22 LEU 7 -12.421 -5.641 6.947 65 HD23 LEU 7 HD23 LEU 7 -12.391 -7.061 7.993 66 H LYS 8 HN LYS 8 -15.699 -7.667 11.250 67 HA LYS 8 HA LYS 8 -17.269 -8.393 8.969 68 HB2 LYS 8 HB2 LYS 8 -17.072 -9.613 11.743 69 HB3 LYS 8 HB1 LYS 8 -17.928 -10.366 10.397 70 HG2 LYS 8 HG2 LYS 8 -15.848 -10.372 9.069 71 HG3 LYS 8 HG1 LYS 8 -14.987 -9.620 10.411 72 HD2 LYS 8 HD2 LYS 8 -15.495 -11.569 11.838 73 HD3 LYS 8 HD1 LYS 8 -16.358 -12.324 10.498 74 HE2 LYS 8 HE2 LYS 8 -14.296 -12.353 9.162 75 HE3 LYS 8 HE1 LYS 8 -13.422 -11.559 10.471 76 HZ1 LYS 8 HZ1 LYS 8 -13.975 -14.298 10.134 77 HZ2 LYS 8 HZ2 LYS 8 -14.724 -13.760 11.561 78 HZ3 LYS 8 HZ3 LYS 8 -13.053 -13.544 11.342 79 H HIS 9 HN HIS 9 -18.136 -7.324 12.234 80 HA HIS 9 HA HIS 9 -20.983 -7.585 11.868 81 HB2 HIS 9 HB2 HIS 9 -19.941 -7.506 14.106 82 HB3 HIS 9 HB1 HIS 9 -19.425 -5.845 13.811 83 HD1 HIS 9 HD1 HIS 9 -22.627 -7.896 14.004 84 HD2 HIS 9 HD2 HIS 9 -21.365 -3.943 14.410 85 HE1 HIS 9 HE1 HIS 9 -24.645 -6.576 14.781 86 H TYR 10 HN TYR 10 -18.676 -4.939 11.487 87 HA TYR 10 HA TYR 10 -20.534 -2.831 11.060 88 HB2 TYR 10 HB2 TYR 10 -18.186 -2.365 11.486 89 HB3 TYR 10 HB1 TYR 10 -17.705 -3.222 10.022 90 HD1 TYR 10 HD1 TYR 10 -19.452 -0.221 11.327 91 HD2 TYR 10 HD2 TYR 10 -17.877 -2.197 7.854 92 HE1 TYR 10 HE1 TYR 10 -19.738 1.862 10.011 93 HE2 TYR 10 HE2 TYR 10 -18.164 -0.115 6.538 94 HH TYR 10 HH TYR 10 -19.116 2.907 8.069 95 H ILE 11 HN ILE 11 -18.767 -4.794 8.648 96 HA ILE 11 HA ILE 11 -20.105 -3.638 6.386 97 HB ILE 11 HB ILE 11 -17.882 -4.883 6.367 98 HG12 ILE 11 HG12 ILE 11 -19.920 -5.975 4.405 99 HG13 ILE 11 HG11 ILE 11 -19.299 -4.327 4.322 100 HG21 ILE 11 HG21 ILE 11 -19.608 -7.352 6.195 101 HG22 ILE 11 HG22 ILE 11 -18.878 -6.827 7.710 102 HG23 ILE 11 HG23 ILE 11 -17.855 -7.262 6.343 103 HD11 ILE 11 HD11 ILE 11 -17.098 -5.051 3.864 104 HD12 ILE 11 HD12 ILE 11 -18.111 -6.117 2.889 105 HD13 ILE 11 HD13 ILE 11 -17.431 -6.696 4.410 106 H THR 12 HN THR 12 -20.654 -6.611 8.247 107 HA THR 12 HA THR 12 -22.733 -7.647 6.572 108 HB THR 12 HB THR 12 -23.351 -8.978 8.648 109 HG1 THR 12 HG1 THR 12 -21.693 -8.749 10.322 110 HG21 THR 12 HG21 THR 12 -21.791 -9.958 7.126 111 HG22 THR 12 HG22 THR 12 -21.091 -10.148 8.733 112 HG23 THR 12 HG23 THR 12 -20.498 -8.888 7.659 113 H ASN 13 HN ASN 13 -22.797 -5.581 9.459 114 HA ASN 13 HA ASN 13 -25.660 -5.456 9.698 115 HB2 ASN 13 HB2 ASN 13 -24.178 -4.839 11.554 116 HB3 ASN 13 HB1 ASN 13 -23.508 -3.509 10.612 117 HD21 ASN 13 HD21 ASN 13 -24.491 -2.538 12.857 118 HD22 ASN 13 HD22 ASN 13 -26.054 -1.892 12.699 119 H LEU 14 HN LEU 14 -23.271 -3.481 7.992 120 HA LEU 14 HA LEU 14 -25.012 -1.393 7.182 121 HB2 LEU 14 HB2 LEU 14 -22.576 -1.177 6.993 122 HB3 LEU 14 HB1 LEU 14 -22.523 -2.492 5.819 123 HG LEU 14 HG LEU 14 -23.839 -1.169 4.227 124 HD11 LEU 14 HD11 LEU 14 -24.153 1.342 4.954 125 HD12 LEU 14 HD12 LEU 14 -24.055 0.691 6.589 126 HD13 LEU 14 HD13 LEU 14 -25.318 0.135 5.490 127 HD21 LEU 14 HD21 LEU 14 -22.195 0.469 3.668 128 HD22 LEU 14 HD22 LEU 14 -21.319 -0.852 4.442 129 HD23 LEU 14 HD23 LEU 14 -21.674 0.621 5.345 130 H PHE 15 HN PHE 15 -24.131 -4.445 5.581 131 HA PHE 15 HA PHE 15 -26.208 -3.921 3.489 132 HB2 PHE 15 HB2 PHE 15 -23.838 -5.797 3.638 133 HB3 PHE 15 HB1 PHE 15 -25.100 -5.981 2.418 134 HD1 PHE 15 HD1 PHE 15 -25.487 -4.236 0.725 135 HD2 PHE 15 HD2 PHE 15 -22.286 -3.932 3.574 136 HE1 PHE 15 HE1 PHE 15 -24.438 -2.455 -0.644 137 HE2 PHE 15 HE2 PHE 15 -21.238 -2.150 2.203 138 HZ PHE 15 HZ PHE 15 -22.313 -1.413 0.094 139 H ASN 16 HN ASN 16 -26.007 -5.345 6.442 140 HA ASN 16 HA ASN 16 -27.273 -6.947 7.574 141 HB2 ASN 16 HB2 ASN 16 -29.090 -6.407 5.212 142 HB3 ASN 16 HB1 ASN 16 -29.551 -7.408 6.584 143 HD21 ASN 16 HD21 ASN 16 -28.414 -5.937 8.725 144 HD22 ASN 16 HD22 ASN 16 -29.175 -4.423 8.822 145 H LEU 17 HN LEU 17 -25.187 -7.914 5.957 146 HA LEU 17 HA LEU 17 -26.168 -10.182 4.442 147 HB2 LEU 17 HB2 LEU 17 -23.349 -9.458 5.250 148 HB3 LEU 17 HB1 LEU 17 -23.776 -10.719 4.101 149 HG LEU 17 HG LEU 17 -24.807 -7.919 3.674 150 HD11 LEU 17 HD11 LEU 17 -22.787 -7.430 2.317 151 HD12 LEU 17 HD12 LEU 17 -22.067 -8.942 2.868 152 HD13 LEU 17 HD13 LEU 17 -22.389 -7.649 4.022 153 HD21 LEU 17 HD21 LEU 17 -24.638 -8.654 1.291 154 HD22 LEU 17 HD22 LEU 17 -25.674 -9.710 2.244 155 HD23 LEU 17 HD23 LEU 17 -24.035 -10.215 1.841 156 HA PRO 18 HA PRO 18 -26.408 -13.268 7.622 157 HB2 PRO 18 HB2 PRO 18 -24.624 -14.926 5.864 158 HB3 PRO 18 HB1 PRO 18 -26.184 -15.346 6.601 159 HG2 PRO 18 HG2 PRO 18 -25.975 -14.737 4.001 160 HG3 PRO 18 HG1 PRO 18 -27.398 -14.294 4.958 161 HD2 PRO 18 HD2 PRO 18 -25.220 -12.549 3.927 162 HD3 PRO 18 HD1 PRO 18 -26.914 -12.169 4.308 163 H ARG 19 HN ARG 19 -25.291 -13.268 9.469 164 HA ARG 19 HA ARG 19 -22.362 -12.763 9.435 165 HB2 ARG 19 HB2 ARG 19 -24.422 -12.730 11.666 166 HB3 ARG 19 HB1 ARG 19 -22.699 -12.449 11.912 167 HG2 ARG 19 HG2 ARG 19 -22.783 -10.548 10.335 168 HG3 ARG 19 HG1 ARG 19 -24.513 -10.814 10.109 169 HD2 ARG 19 HD2 ARG 19 -23.234 -10.246 12.800 170 HD3 ARG 19 HD1 ARG 19 -23.968 -9.005 11.784 171 HE ARG 19 HE ARG 19 -25.884 -11.072 12.125 172 HH11 ARG 19 HH21 ARG 19 -24.158 -8.693 13.983 173 HH12 ARG 19 HH22 ARG 19 -25.423 -8.528 15.157 174 HH21 ARG 19 HH11 ARG 19 -27.515 -10.842 13.652 175 HH22 ARG 19 HH12 ARG 19 -27.312 -9.735 14.968 176 H ASP 20 HN ASP 20 -24.628 -15.316 9.919 177 HA ASP 20 HA ASP 20 -22.868 -16.975 11.581 178 HB2 ASP 20 HB2 ASP 20 -25.411 -17.066 11.611 179 HB3 ASP 20 HB1 ASP 20 -25.334 -17.830 10.024 180 H GLU 21 HN GLU 21 -22.801 -16.078 8.396 181 HA GLU 21 HA GLU 21 -21.865 -18.712 7.361 182 HB2 GLU 21 HB2 GLU 21 -22.471 -16.067 6.008 183 HB3 GLU 21 HB1 GLU 21 -21.806 -17.468 5.164 184 HG2 GLU 21 HG2 GLU 21 -23.748 -18.816 5.814 185 HG3 GLU 21 HG1 GLU 21 -24.405 -17.461 6.733 186 H LYS 22 HN LYS 22 -19.798 -19.157 7.548 187 HA LYS 22 HA LYS 22 -17.782 -17.150 8.154 188 HB2 LYS 22 HB2 LYS 22 -17.619 -20.127 7.600 189 HB3 LYS 22 HB1 LYS 22 -16.226 -19.129 8.028 190 HG2 LYS 22 HG2 LYS 22 -17.272 -18.500 10.139 191 HG3 LYS 22 HG1 LYS 22 -18.735 -19.380 9.710 192 HD2 LYS 22 HD2 LYS 22 -17.417 -20.775 11.197 193 HD3 LYS 22 HD1 LYS 22 -17.374 -21.484 9.582 194 HE2 LYS 22 HE2 LYS 22 -15.214 -19.533 10.353 195 HE3 LYS 22 HE1 LYS 22 -15.132 -21.184 10.961 196 HZ1 LYS 22 HZ1 LYS 22 -14.693 -21.998 8.940 197 HZ2 LYS 22 HZ2 LYS 22 -14.217 -20.410 8.574 198 HZ3 LYS 22 HZ3 LYS 22 -15.771 -20.952 8.152 199 H TRP 23 HN TRP 23 -16.070 -16.538 6.880 200 HA TRP 23 HA TRP 23 -16.461 -16.861 3.933 201 HB2 TRP 23 HB2 TRP 23 -14.724 -14.839 5.381 202 HB3 TRP 23 HB1 TRP 23 -15.243 -14.799 3.699 203 HD1 TRP 23 HD1 TRP 23 -18.328 -15.764 4.693 204 HE1 TRP 23 HE1 TRP 23 -19.868 -13.890 5.546 205 HE3 TRP 23 HE3 TRP 23 -14.852 -12.165 5.743 206 HZ2 TRP 23 HZ2 TRP 23 -19.665 -11.220 6.545 207 HZ3 TRP 23 HZ3 TRP 23 -15.558 -9.967 6.644 208 HH2 TRP 23 HH2 TRP 23 -17.959 -9.493 7.044 209 H GLU 24 HN GLU 24 -14.153 -16.484 2.837 210 HA GLU 24 HA GLU 24 -12.363 -18.615 3.962 211 HB2 GLU 24 HB2 GLU 24 -12.886 -17.652 1.132 212 HB3 GLU 24 HB1 GLU 24 -11.523 -18.692 1.546 213 HG2 GLU 24 HG2 GLU 24 -13.193 -20.222 0.922 214 HG3 GLU 24 HG1 GLU 24 -13.300 -20.221 2.674 215 H CYS 25 HN CYS 25 -10.621 -17.880 4.897 216 HA CYS 25 HA CYS 25 -9.633 -15.159 4.402 217 HB2 CYS 25 HB2 CYS 25 -8.398 -17.270 6.188 218 HB3 CYS 25 HB1 CYS 25 -8.208 -15.520 6.289 219 HG CYS 25 HG CYS 25 -10.412 -15.320 7.447 220 H GLU 26 HN GLU 26 -7.818 -14.614 3.360 221 HA GLU 26 HA GLU 26 -5.934 -16.725 2.423 222 HB2 GLU 26 HB2 GLU 26 -7.677 -16.251 0.637 223 HB3 GLU 26 HB1 GLU 26 -7.050 -14.604 0.570 224 HG2 GLU 26 HG2 GLU 26 -5.901 -15.830 -1.141 225 HG3 GLU 26 HG1 GLU 26 -4.754 -15.619 0.180 226 H SER 27 HN SER 27 -4.119 -16.043 3.365 227 HA SER 27 HA SER 27 -3.549 -13.144 3.623 228 HB2 SER 27 HB2 SER 27 -2.094 -15.565 4.733 229 HB3 SER 27 HB1 SER 27 -1.675 -13.886 5.061 230 HG SER 27 HG SER 27 -4.123 -15.202 5.666 231 H ILE 28 HN ILE 28 -2.404 -12.147 2.167 232 HA ILE 28 HA ILE 28 -0.205 -13.570 0.729 233 HB ILE 28 HB ILE 28 -2.213 -11.708 -0.595 234 HG12 ILE 28 HG12 ILE 28 -1.819 -14.694 -0.993 235 HG13 ILE 28 HG11 ILE 28 -3.098 -13.999 0.001 236 HG21 ILE 28 HG21 ILE 28 -1.029 -12.334 -2.651 237 HG22 ILE 28 HG22 ILE 28 0.041 -13.394 -1.736 238 HG23 ILE 28 HG23 ILE 28 0.117 -11.652 -1.502 239 HD11 ILE 28 HD11 ILE 28 -4.018 -12.813 -1.912 240 HD12 ILE 28 HD12 ILE 28 -3.849 -14.518 -2.332 241 HD13 ILE 28 HD13 ILE 28 -2.677 -13.342 -2.927 242 H GLU 29 HN GLU 29 1.616 -12.411 0.712 243 HA GLU 29 HA GLU 29 1.649 -9.744 1.966 244 HB2 GLU 29 HB2 GLU 29 3.865 -11.579 0.990 245 HB3 GLU 29 HB1 GLU 29 4.137 -10.023 1.774 246 HG2 GLU 29 HG2 GLU 29 4.280 -11.526 3.572 247 HG3 GLU 29 HG1 GLU 29 2.613 -10.973 3.675 248 H GLU 30 HN GLU 30 1.597 -7.941 0.841 249 HA GLU 30 HA GLU 30 2.809 -7.816 -1.878 250 HB2 GLU 30 HB2 GLU 30 -0.021 -6.965 -1.181 251 HB3 GLU 30 HB1 GLU 30 0.812 -6.510 -2.669 252 HG2 GLU 30 HG2 GLU 30 1.093 -8.881 -3.257 253 HG3 GLU 30 HG1 GLU 30 0.302 -9.354 -1.758 254 H VAL 31 HN VAL 31 3.210 -5.610 -2.554 255 HA VAL 31 HA VAL 31 4.260 -3.967 -0.429 256 HB VAL 31 HB VAL 31 3.871 -3.356 -3.377 257 HG11 VAL 31 HG11 VAL 31 4.130 -1.266 -2.299 258 HG12 VAL 31 HG12 VAL 31 5.761 -1.686 -2.815 259 HG13 VAL 31 HG13 VAL 31 5.282 -1.911 -1.131 260 HG21 VAL 31 HG21 VAL 31 6.178 -4.455 -1.752 261 HG22 VAL 31 HG22 VAL 31 6.379 -3.800 -3.376 262 HG23 VAL 31 HG23 VAL 31 5.368 -5.222 -3.118 263 H ALA 32 HN ALA 32 3.446 -2.167 0.487 264 HA ALA 32 HA ALA 32 0.726 -1.727 0.819 265 HB1 ALA 32 HB1 ALA 32 2.919 0.376 0.878 266 HB2 ALA 32 HB2 ALA 32 2.472 -0.676 2.220 267 HB3 ALA 32 HB3 ALA 32 1.331 0.529 1.629 268 H ASP 33 HN ASP 33 2.864 -0.218 -1.588 269 HA ASP 33 HA ASP 33 0.855 1.529 -2.697 270 HB2 ASP 33 HB2 ASP 33 3.495 0.486 -3.772 271 HB3 ASP 33 HB1 ASP 33 2.486 1.631 -4.658 272 H ASP 34 HN ASP 34 1.465 -1.839 -3.029 273 HA ASP 34 HA ASP 34 0.231 -2.111 -5.680 274 HB2 ASP 34 HB2 ASP 34 2.011 -3.664 -4.746 275 HB3 ASP 34 HB1 ASP 34 0.783 -4.294 -3.647 276 H ILE 35 HN ILE 35 -0.970 -1.509 -2.623 277 HA ILE 35 HA ILE 35 -3.646 -2.600 -3.413 278 HB ILE 35 HB ILE 35 -3.970 -3.093 -0.905 279 HG12 ILE 35 HG12 ILE 35 -0.947 -3.301 -0.916 280 HG13 ILE 35 HG11 ILE 35 -1.771 -1.866 -0.317 281 HG21 ILE 35 HG21 ILE 35 -3.739 -4.825 -2.658 282 HG22 ILE 35 HG22 ILE 35 -2.985 -5.330 -1.146 283 HG23 ILE 35 HG23 ILE 35 -1.984 -4.761 -2.483 284 HD11 ILE 35 HD11 ILE 35 -2.811 -3.033 1.438 285 HD12 ILE 35 HD12 ILE 35 -1.189 -3.720 1.395 286 HD13 ILE 35 HD13 ILE 35 -2.538 -4.601 0.681 287 H LEU 36 HN LEU 36 -1.835 -0.365 -1.297 288 HA LEU 36 HA LEU 36 -4.284 1.219 -0.972 289 HB2 LEU 36 HB2 LEU 36 -1.613 1.290 0.406 290 HB3 LEU 36 HB1 LEU 36 -2.830 2.532 0.668 291 HG LEU 36 HG LEU 36 -3.575 -0.386 0.934 292 HD11 LEU 36 HD11 LEU 36 -2.099 1.332 2.931 293 HD12 LEU 36 HD12 LEU 36 -1.740 -0.317 2.421 294 HD13 LEU 36 HD13 LEU 36 -3.137 0.003 3.447 295 HD21 LEU 36 HD21 LEU 36 -4.594 2.232 2.091 296 HD22 LEU 36 HD22 LEU 36 -5.149 0.654 2.631 297 HD23 LEU 36 HD23 LEU 36 -5.432 1.158 0.973 298 HA PRO 37 HA PRO 37 -3.238 4.393 -3.865 299 HB2 PRO 37 HB2 PRO 37 -3.788 6.381 -1.694 300 HB3 PRO 37 HB1 PRO 37 -4.508 6.251 -3.309 301 HG2 PRO 37 HG2 PRO 37 -5.856 5.516 -1.127 302 HG3 PRO 37 HG1 PRO 37 -6.010 4.631 -2.657 303 HD2 PRO 37 HD2 PRO 37 -4.530 3.862 -0.177 304 HD3 PRO 37 HD1 PRO 37 -5.405 2.863 -1.355 305 H ASP 38 HN ASP 38 -1.531 5.681 -4.459 306 HA ASP 38 HA ASP 38 0.964 5.399 -3.112 307 HB2 ASP 38 HB2 ASP 38 0.038 7.252 -5.326 308 HB3 ASP 38 HB1 ASP 38 1.712 7.186 -4.773 309 H GLN 39 HN GLN 39 -1.396 8.027 -3.152 310 HA GLN 39 HA GLN 39 0.239 9.970 -1.799 311 HB2 GLN 39 HB2 GLN 39 -1.832 10.508 -3.103 312 HB3 GLN 39 HB1 GLN 39 -2.794 9.744 -1.838 313 HG2 GLN 39 HG2 GLN 39 -0.828 11.924 -1.124 314 HG3 GLN 39 HG1 GLN 39 -2.413 12.344 -1.767 315 HE21 GLN 39 HE21 GLN 39 -4.313 11.148 -0.565 316 HE22 GLN 39 HE22 GLN 39 -4.164 11.019 1.121 317 H TYR 40 HN TYR 40 -1.939 7.435 -0.721 318 HA TYR 40 HA TYR 40 -1.688 8.248 2.116 319 HB2 TYR 40 HB2 TYR 40 -3.302 6.203 0.587 320 HB3 TYR 40 HB1 TYR 40 -3.131 6.045 2.334 321 HD1 TYR 40 HD2 TYR 40 -4.345 8.264 -0.390 322 HD2 TYR 40 HD1 TYR 40 -4.243 7.532 3.841 323 HE1 TYR 40 HE2 TYR 40 -6.101 9.982 -0.049 324 HE2 TYR 40 HE1 TYR 40 -5.997 9.251 4.182 325 HH TYR 40 HH TYR 40 -7.805 10.311 2.864 326 H VAL 41 HN VAL 41 0.302 6.750 0.051 327 HA VAL 41 HA VAL 41 1.338 4.842 2.139 328 HB VAL 41 HB VAL 41 1.385 4.614 -0.890 329 HG11 VAL 41 HG11 VAL 41 2.582 2.391 -0.265 330 HG12 VAL 41 HG12 VAL 41 2.934 3.179 1.271 331 HG13 VAL 41 HG13 VAL 41 3.532 3.875 -0.234 332 HG21 VAL 41 HG21 VAL 41 -0.658 3.879 0.507 333 HG22 VAL 41 HG22 VAL 41 0.394 2.630 1.169 334 HG23 VAL 41 HG23 VAL 41 0.049 2.666 -0.560 335 H ARG 42 HN ARG 42 2.176 7.055 -0.513 336 HA ARG 42 HA ARG 42 4.997 7.015 -0.177 337 HB2 ARG 42 HB2 ARG 42 3.832 8.007 -2.151 338 HB3 ARG 42 HB1 ARG 42 3.240 9.315 -1.129 339 HG2 ARG 42 HG2 ARG 42 5.239 10.051 -2.335 340 HG3 ARG 42 HG1 ARG 42 5.598 9.947 -0.614 341 HD2 ARG 42 HD2 ARG 42 6.114 7.497 -2.274 342 HD3 ARG 42 HD1 ARG 42 7.230 8.851 -2.441 343 HE ARG 42 HE ARG 42 6.785 8.313 0.346 344 HH11 ARG 42 HH21 ARG 42 8.337 7.051 -2.499 345 HH12 ARG 42 HH22 ARG 42 9.570 6.229 -1.597 346 HH21 ARG 42 HH11 ARG 42 8.384 7.233 1.495 347 HH22 ARG 42 HH12 ARG 42 9.596 6.332 0.646 348 H LEU 43 HN LEU 43 2.527 9.191 1.178 349 HA LEU 43 HA LEU 43 4.353 10.797 2.711 350 HB2 LEU 43 HB2 LEU 43 1.372 10.305 2.783 351 HB3 LEU 43 HB1 LEU 43 2.134 11.243 4.068 352 HG LEU 43 HG LEU 43 3.078 12.787 2.404 353 HD11 LEU 43 HD11 LEU 43 3.404 11.408 0.491 354 HD12 LEU 43 HD12 LEU 43 2.152 12.559 0.023 355 HD13 LEU 43 HD13 LEU 43 1.712 10.910 0.467 356 HD21 LEU 43 HD21 LEU 43 0.963 13.491 3.233 357 HD22 LEU 43 HD22 LEU 43 0.102 12.262 2.306 358 HD23 LEU 43 HD23 LEU 43 0.826 13.642 1.481 359 H GLY 44 HN GLY 44 2.431 7.924 3.477 360 HA2 GLY 44 HA2 GLY 44 3.273 7.850 6.258 361 HA3 GLY 44 HA1 GLY 44 2.378 6.588 5.410 362 HA PRO 45 HA PRO 45 7.011 5.550 5.960 363 HB2 PRO 45 HB2 PRO 45 6.752 3.694 7.988 364 HB3 PRO 45 HB1 PRO 45 7.069 5.417 8.271 365 HG2 PRO 45 HG2 PRO 45 4.488 3.920 8.430 366 HG3 PRO 45 HG1 PRO 45 5.121 5.193 9.490 367 HD2 PRO 45 HD2 PRO 45 3.243 5.691 7.575 368 HD3 PRO 45 HD1 PRO 45 4.448 6.903 8.065 369 H LEU 46 HN LEU 46 4.028 4.003 5.453 370 HA LEU 46 HA LEU 46 4.963 1.318 4.860 371 HB2 LEU 46 HB2 LEU 46 2.447 2.672 3.835 372 HB3 LEU 46 HB1 LEU 46 2.729 0.944 4.030 373 HG LEU 46 HG LEU 46 2.609 2.976 6.283 374 HD11 LEU 46 HD11 LEU 46 0.564 1.607 6.904 375 HD12 LEU 46 HD12 LEU 46 0.682 0.843 5.319 376 HD13 LEU 46 HD13 LEU 46 0.384 2.576 5.442 377 HD21 LEU 46 HD21 LEU 46 2.529 0.737 7.620 378 HD22 LEU 46 HD22 LEU 46 4.088 1.290 7.016 379 HD23 LEU 46 HD23 LEU 46 3.212 0.020 6.161 380 H SER 47 HN SER 47 5.810 4.054 3.482 381 HA SER 47 HA SER 47 5.470 4.498 0.913 382 HB2 SER 47 HB2 SER 47 7.436 5.364 2.017 383 HB3 SER 47 HB1 SER 47 8.162 3.761 2.089 384 HG SER 47 HG SER 47 7.745 3.933 -0.357 385 H ASN 48 HN ASN 48 7.716 1.790 1.569 386 HA ASN 48 HA ASN 48 6.436 0.279 -0.680 387 HB2 ASN 48 HB2 ASN 48 9.410 0.790 -0.334 388 HB3 ASN 48 HB1 ASN 48 8.711 -0.350 -1.484 389 HD21 ASN 48 HD21 ASN 48 10.051 2.601 -1.531 390 HD22 ASN 48 HD22 ASN 48 9.105 3.369 -2.713 391 H LYS 49 HN LYS 49 6.480 0.115 2.322 392 HA LYS 49 HA LYS 49 8.048 -2.254 2.964 393 HB2 LYS 49 HB2 LYS 49 5.843 -0.805 4.448 394 HB3 LYS 49 HB1 LYS 49 6.689 -2.216 5.079 395 HG2 LYS 49 HG2 LYS 49 8.835 -1.041 4.900 396 HG3 LYS 49 HG1 LYS 49 8.025 0.361 4.208 397 HD2 LYS 49 HD2 LYS 49 8.266 0.924 6.492 398 HD3 LYS 49 HD1 LYS 49 6.596 0.372 6.367 399 HE2 LYS 49 HE2 LYS 49 7.169 -1.794 7.266 400 HE3 LYS 49 HE1 LYS 49 8.892 -1.439 7.173 401 HZ1 LYS 49 HZ1 LYS 49 8.414 0.451 8.726 402 HZ2 LYS 49 HZ2 LYS 49 8.256 -1.106 9.388 403 HZ3 LYS 49 HZ3 LYS 49 6.872 -0.219 8.955 404 H ILE 50 HN ILE 50 7.324 -4.307 3.256 405 HA ILE 50 HA ILE 50 4.991 -5.103 1.661 406 HB ILE 50 HB ILE 50 7.054 -6.719 3.198 407 HG12 ILE 50 HG12 ILE 50 7.531 -7.232 0.570 408 HG13 ILE 50 HG11 ILE 50 6.869 -5.611 0.401 409 HG21 ILE 50 HG21 ILE 50 5.069 -8.042 3.000 410 HG22 ILE 50 HG22 ILE 50 6.169 -8.587 1.734 411 HG23 ILE 50 HG23 ILE 50 4.819 -7.527 1.331 412 HD11 ILE 50 HD11 ILE 50 8.535 -4.730 1.959 413 HD12 ILE 50 HD12 ILE 50 9.342 -5.614 0.671 414 HD13 ILE 50 HD13 ILE 50 9.152 -6.353 2.258 415 H LEU 51 HN LEU 51 3.062 -5.283 2.511 416 HA LEU 51 HA LEU 51 2.779 -5.840 5.448 417 HB2 LEU 51 HB2 LEU 51 0.808 -4.441 3.618 418 HB3 LEU 51 HB1 LEU 51 0.693 -4.622 5.368 419 HG LEU 51 HG LEU 51 2.874 -3.103 3.906 420 HD11 LEU 51 HD11 LEU 51 0.512 -2.106 3.967 421 HD12 LEU 51 HD12 LEU 51 1.798 -1.109 4.645 422 HD13 LEU 51 HD13 LEU 51 0.717 -2.000 5.715 423 HD21 LEU 51 HD21 LEU 51 3.220 -2.297 6.381 424 HD22 LEU 51 HD22 LEU 51 3.878 -3.854 5.895 425 HD23 LEU 51 HD23 LEU 51 2.368 -3.780 6.801 426 H GLN 52 HN GLN 52 1.446 -7.441 6.094 427 HA GLN 52 HA GLN 52 0.768 -9.530 4.194 428 HB2 GLN 52 HB2 GLN 52 1.417 -10.022 6.543 429 HB3 GLN 52 HB1 GLN 52 -0.049 -9.212 7.103 430 HG2 GLN 52 HG2 GLN 52 -1.451 -10.824 5.965 431 HG3 GLN 52 HG1 GLN 52 -0.049 -11.565 5.195 432 HE21 GLN 52 HE21 GLN 52 -1.785 -13.133 6.813 433 HE22 GLN 52 HE22 GLN 52 -0.959 -13.588 8.224 434 H THR 53 HN THR 53 -0.956 -9.465 2.926 435 HA THR 53 HA THR 53 -3.307 -7.803 3.702 436 HB THR 53 HB THR 53 -3.883 -7.767 1.387 437 HG1 THR 53 HG1 THR 53 -2.016 -9.195 0.215 438 HG21 THR 53 HG21 THR 53 -1.905 -6.389 2.045 439 HG22 THR 53 HG22 THR 53 -1.883 -6.863 0.346 440 HG23 THR 53 HG23 THR 53 -0.856 -7.701 1.509 441 H ASN 54 HN ASN 54 -4.837 -8.886 4.736 442 HA ASN 54 HA ASN 54 -5.310 -11.769 4.092 443 HB2 ASN 54 HB2 ASN 54 -4.897 -11.147 6.474 444 HB3 ASN 54 HB1 ASN 54 -6.341 -10.132 6.427 445 HD21 ASN 54 HD21 ASN 54 -6.179 -12.369 8.190 446 HD22 ASN 54 HD22 ASN 54 -7.288 -13.549 7.677 447 H THR 55 HN THR 55 -6.479 -11.477 2.208 448 HA THR 55 HA THR 55 -8.928 -9.828 2.232 449 HB THR 55 HB THR 55 -7.618 -11.515 0.078 450 HG1 THR 55 HG1 THR 55 -6.845 -9.331 0.894 451 HG21 THR 55 HG21 THR 55 -10.187 -9.928 0.120 452 HG22 THR 55 HG22 THR 55 -9.929 -11.579 -0.441 453 HG23 THR 55 HG23 THR 55 -9.311 -10.221 -1.382 454 H TYR 56 HN TYR 56 -10.930 -10.609 2.417 455 HA TYR 56 HA TYR 56 -11.270 -13.571 2.720 456 HB2 TYR 56 HB2 TYR 56 -13.072 -11.416 3.845 457 HB3 TYR 56 HB1 TYR 56 -13.048 -13.133 4.250 458 HD1 TYR 56 HD1 TYR 56 -11.289 -14.087 5.650 459 HD2 TYR 56 HD2 TYR 56 -11.327 -9.903 4.674 460 HE1 TYR 56 HE1 TYR 56 -9.607 -13.655 7.422 461 HE2 TYR 56 HE2 TYR 56 -9.646 -9.475 6.448 462 HH TYR 56 HH TYR 56 -9.056 -11.014 8.824 463 H TYR 57 HN TYR 57 -12.657 -14.576 1.397 464 HA TYR 57 HA TYR 57 -14.540 -12.927 -0.257 465 HB2 TYR 57 HB2 TYR 57 -13.959 -14.242 -2.226 466 HB3 TYR 57 HB1 TYR 57 -12.506 -13.477 -1.585 467 HD1 TYR 57 HD1 TYR 57 -10.804 -14.797 -0.390 468 HD2 TYR 57 HD2 TYR 57 -14.286 -16.646 -2.094 469 HE1 TYR 57 HE1 TYR 57 -9.738 -17.023 -0.155 470 HE2 TYR 57 HE2 TYR 57 -13.219 -18.873 -1.858 471 HH TYR 57 HH TYR 57 -10.144 -19.264 -0.172 472 H SER 58 HN SER 58 -16.506 -13.670 -0.162 473 HA SER 58 HA SER 58 -17.031 -16.567 0.307 474 HB2 SER 58 HB2 SER 58 -18.506 -16.169 2.081 475 HB3 SER 58 HB1 SER 58 -17.178 -15.069 2.430 476 HG SER 58 HG SER 58 -19.601 -14.441 1.081 477 H ASP 59 HN ASP 59 -19.401 -17.017 -0.075 478 HA ASP 59 HA ASP 59 -20.134 -16.179 -2.699 479 HB2 ASP 59 HB2 ASP 59 -22.278 -17.355 -2.244 480 HB3 ASP 59 HB1 ASP 59 -20.887 -18.323 -1.762 481 H THR 60 HN THR 60 -21.137 -15.090 0.513 482 HA THR 60 HA THR 60 -23.229 -13.321 -0.442 483 HB THR 60 HB THR 60 -23.006 -12.324 1.883 484 HG1 THR 60 HG1 THR 60 -20.672 -13.489 1.752 485 HG21 THR 60 HG21 THR 60 -23.210 -15.345 1.781 486 HG22 THR 60 HG22 THR 60 -24.511 -14.238 1.341 487 HG23 THR 60 HG23 THR 60 -23.913 -14.282 3.000 488 H LEU 61 HN LEU 61 -19.823 -12.920 0.471 489 HA LEU 61 HA LEU 61 -19.705 -10.073 0.203 490 HB2 LEU 61 HB2 LEU 61 -17.572 -12.213 -0.091 491 HB3 LEU 61 HB1 LEU 61 -17.221 -10.488 -0.095 492 HG LEU 61 HG LEU 61 -18.693 -11.898 2.151 493 HD11 LEU 61 HD11 LEU 61 -16.488 -12.817 2.157 494 HD12 LEU 61 HD12 LEU 61 -16.473 -11.535 3.368 495 HD13 LEU 61 HD13 LEU 61 -15.762 -11.255 1.780 496 HD21 LEU 61 HD21 LEU 61 -17.735 -9.709 3.310 497 HD22 LEU 61 HD22 LEU 61 -19.218 -9.631 2.377 498 HD23 LEU 61 HD23 LEU 61 -17.702 -9.090 1.661 499 H HIS 62 HN HIS 62 -19.128 -12.705 -2.070 500 HA HIS 62 HA HIS 62 -18.277 -11.078 -4.272 501 HB2 HIS 62 HB2 HIS 62 -17.927 -13.537 -4.151 502 HB3 HIS 62 HB1 HIS 62 -19.668 -13.783 -4.302 503 HD1 HIS 62 HD1 HIS 62 -16.788 -12.207 -6.229 504 HD2 HIS 62 HD2 HIS 62 -20.571 -13.814 -6.929 505 HE1 HIS 62 HE1 HIS 62 -17.094 -12.246 -8.743 506 H LYS 63 HN LYS 63 -21.430 -12.269 -3.196 507 HA LYS 63 HA LYS 63 -22.977 -11.364 -5.418 508 HB2 LYS 63 HB2 LYS 63 -23.782 -12.945 -3.652 509 HB3 LYS 63 HB1 LYS 63 -23.837 -11.595 -2.518 510 HG2 LYS 63 HG2 LYS 63 -25.484 -10.445 -3.878 511 HG3 LYS 63 HG1 LYS 63 -25.344 -11.658 -5.147 512 HD2 LYS 63 HD2 LYS 63 -27.303 -12.272 -3.949 513 HD3 LYS 63 HD1 LYS 63 -26.057 -13.374 -3.366 514 HE2 LYS 63 HE2 LYS 63 -25.760 -12.120 -1.347 515 HE3 LYS 63 HE1 LYS 63 -26.712 -10.770 -1.963 516 HZ1 LYS 63 HZ1 LYS 63 -28.338 -12.976 -2.154 517 HZ2 LYS 63 HZ2 LYS 63 -28.451 -11.716 -1.019 518 HZ3 LYS 63 HZ3 LYS 63 -27.578 -13.124 -0.644 519 H SER 64 HN SER 64 -22.018 -9.807 -2.388 520 HA SER 64 HA SER 64 -23.475 -7.341 -2.970 521 HB2 SER 64 HB2 SER 64 -22.445 -6.509 -0.930 522 HB3 SER 64 HB1 SER 64 -23.004 -8.152 -0.646 523 HG SER 64 HG SER 64 -20.411 -7.139 -0.895 524 H ASN 65 HN ASN 65 -20.700 -8.705 -4.160 525 HA ASN 65 HA ASN 65 -18.935 -7.915 -5.459 526 HB2 ASN 65 HB2 ASN 65 -20.521 -5.336 -5.540 527 HB3 ASN 65 HB1 ASN 65 -19.270 -5.843 -6.669 528 HD21 ASN 65 HD21 ASN 65 -20.210 -8.689 -6.693 529 HD22 ASN 65 HD22 ASN 65 -21.643 -8.690 -7.604 530 H ILE 66 HN ILE 66 -18.768 -7.709 -2.608 531 HA ILE 66 HA ILE 66 -16.952 -5.332 -2.345 532 HB ILE 66 HB ILE 66 -18.730 -6.610 -0.253 533 HG12 ILE 66 HG12 ILE 66 -18.604 -3.751 -1.252 534 HG13 ILE 66 HG11 ILE 66 -19.725 -4.948 -1.899 535 HG21 ILE 66 HG21 ILE 66 -16.770 -6.101 0.940 536 HG22 ILE 66 HG22 ILE 66 -17.721 -4.630 1.126 537 HG23 ILE 66 HG23 ILE 66 -16.414 -4.691 -0.055 538 HD11 ILE 66 HD11 ILE 66 -19.580 -4.414 1.069 539 HD12 ILE 66 HD12 ILE 66 -20.902 -5.120 0.139 540 HD13 ILE 66 HD13 ILE 66 -20.554 -3.398 0.008 541 H TYR 67 HN TYR 67 -14.930 -5.749 -1.822 542 HA TYR 67 HA TYR 67 -14.190 -8.524 -0.960 543 HB2 TYR 67 HB2 TYR 67 -12.644 -6.547 -2.628 544 HB3 TYR 67 HB1 TYR 67 -11.987 -8.060 -2.006 545 HD1 TYR 67 HD2 TYR 67 -12.756 -10.222 -2.842 546 HD2 TYR 67 HD1 TYR 67 -14.381 -6.545 -4.360 547 HE1 TYR 67 HE2 TYR 67 -13.768 -11.454 -4.742 548 HE2 TYR 67 HE1 TYR 67 -15.392 -7.778 -6.260 549 HH TYR 67 HH TYR 67 -15.001 -9.905 -7.488 550 HA PRO 68 HA PRO 68 -12.909 -5.772 2.484 551 HB2 PRO 68 HB2 PRO 68 -13.559 -7.440 4.517 552 HB3 PRO 68 HB1 PRO 68 -14.774 -6.459 3.673 553 HG2 PRO 68 HG2 PRO 68 -14.148 -9.359 3.385 554 HG3 PRO 68 HG1 PRO 68 -15.712 -8.528 3.312 555 HD2 PRO 68 HD2 PRO 68 -14.229 -9.349 1.098 556 HD3 PRO 68 HD1 PRO 68 -15.516 -8.120 1.055 557 H PHE 69 HN PHE 69 -10.988 -5.748 3.615 558 HA PHE 69 HA PHE 69 -9.483 -8.228 4.058 559 HB2 PHE 69 HB2 PHE 69 -7.546 -7.594 2.752 560 HB3 PHE 69 HB1 PHE 69 -8.953 -7.587 1.695 561 HD1 PHE 69 HD1 PHE 69 -9.916 -5.482 0.873 562 HD2 PHE 69 HD2 PHE 69 -6.441 -5.520 3.400 563 HE1 PHE 69 HE1 PHE 69 -9.451 -3.121 0.271 564 HE2 PHE 69 HE2 PHE 69 -5.979 -3.158 2.799 565 HZ PHE 69 HZ PHE 69 -7.483 -1.960 1.234 566 H ILE 70 HN ILE 70 -7.577 -7.879 5.337 567 HA ILE 70 HA ILE 70 -7.446 -5.244 6.755 568 HB ILE 70 HB ILE 70 -7.417 -7.990 8.052 569 HG12 ILE 70 HG12 ILE 70 -9.363 -5.695 8.421 570 HG13 ILE 70 HG11 ILE 70 -9.661 -7.041 7.322 571 HG21 ILE 70 HG21 ILE 70 -6.967 -5.189 9.103 572 HG22 ILE 70 HG22 ILE 70 -5.878 -6.568 9.221 573 HG23 ILE 70 HG23 ILE 70 -7.374 -6.542 10.155 574 HD11 ILE 70 HD11 ILE 70 -9.071 -7.370 10.275 575 HD12 ILE 70 HD12 ILE 70 -9.575 -8.631 9.151 576 HD13 ILE 70 HD13 ILE 70 -10.697 -7.348 9.597 577 H LEU 71 HN LEU 71 -5.420 -4.586 7.266 578 HA LEU 71 HA LEU 71 -3.159 -6.216 6.202 579 HB2 LEU 71 HB2 LEU 71 -3.193 -3.284 6.985 580 HB3 LEU 71 HB1 LEU 71 -1.927 -4.131 6.096 581 HG LEU 71 HG LEU 71 -4.772 -3.677 5.148 582 HD11 LEU 71 HD11 LEU 71 -2.129 -2.602 4.120 583 HD12 LEU 71 HD12 LEU 71 -3.298 -1.680 5.065 584 HD13 LEU 71 HD13 LEU 71 -3.724 -2.255 3.453 585 HD21 LEU 71 HD21 LEU 71 -3.644 -4.594 2.960 586 HD22 LEU 71 HD22 LEU 71 -4.190 -5.730 4.185 587 HD23 LEU 71 HD23 LEU 71 -2.479 -5.314 4.071 588 H TYR 72 HN TYR 72 -1.665 -7.021 7.496 589 HA TYR 72 HA TYR 72 -1.557 -6.151 10.367 590 HB2 TYR 72 HB2 TYR 72 -1.371 -8.959 9.233 591 HB3 TYR 72 HB1 TYR 72 -1.020 -8.533 10.908 592 HD1 TYR 72 HD2 TYR 72 -2.851 -7.314 12.241 593 HD2 TYR 72 HD1 TYR 72 -3.593 -9.394 8.558 594 HE1 TYR 72 HE2 TYR 72 -5.263 -7.443 12.801 595 HE2 TYR 72 HE1 TYR 72 -6.004 -9.525 9.117 596 HH TYR 72 HH TYR 72 -7.332 -9.483 11.523 597 H TYR 73 HN TYR 73 0.483 -6.066 11.272 598 HA TYR 73 HA TYR 73 2.824 -6.907 9.665 599 HB2 TYR 73 HB2 TYR 73 2.331 -4.578 8.973 600 HB3 TYR 73 HB1 TYR 73 2.484 -4.057 10.649 601 HD1 TYR 73 HD1 TYR 73 4.312 -5.666 7.825 602 HD2 TYR 73 HD2 TYR 73 4.622 -3.687 11.626 603 HE1 TYR 73 HE1 TYR 73 6.773 -5.521 7.550 604 HE2 TYR 73 HE2 TYR 73 7.083 -3.544 11.347 605 HH TYR 73 HH TYR 73 8.645 -3.738 8.663 606 H GLN 74 HN GLN 74 3.839 -8.144 11.033 607 HA GLN 74 HA GLN 74 4.776 -9.052 12.952 608 HB2 GLN 74 HB2 GLN 74 6.235 -7.056 12.442 609 HB3 GLN 74 HB1 GLN 74 5.329 -6.174 13.672 610 HG2 GLN 74 HG2 GLN 74 7.302 -7.085 14.732 611 HG3 GLN 74 HG1 GLN 74 5.913 -8.005 15.304 612 HE21 GLN 74 HE21 GLN 74 6.333 -10.203 15.337 613 HE22 GLN 74 HE22 GLN 74 7.324 -11.033 14.235 614 H LYS 75 HN LYS 75 2.364 -9.403 13.475 615 HA LYS 75 HA LYS 75 0.631 -9.450 15.058 616 HB2 LYS 75 HB2 LYS 75 2.957 -8.925 16.929 617 HB3 LYS 75 HB1 LYS 75 1.398 -9.610 17.379 618 HG2 LYS 75 HG2 LYS 75 3.288 -10.870 15.369 619 HG3 LYS 75 HG1 LYS 75 3.195 -11.337 17.067 620 HD2 LYS 75 HD2 LYS 75 0.661 -11.694 16.616 621 HD3 LYS 75 HD1 LYS 75 1.106 -11.665 14.909 622 HE2 LYS 75 HE2 LYS 75 2.708 -13.492 15.280 623 HE3 LYS 75 HE1 LYS 75 2.275 -13.528 16.989 624 HZ1 LYS 75 HZ1 LYS 75 0.278 -14.471 16.565 625 HZ2 LYS 75 HZ2 LYS 75 1.115 -15.080 15.218 626 HZ3 LYS 75 HZ3 LYS 75 0.102 -13.725 15.051 627 H GLN 76 HN GLN 76 0.165 -7.268 13.929 628 HA GLN 76 HA GLN 76 -0.721 -5.423 15.940 629 HB2 GLN 76 HB2 GLN 76 1.724 -4.853 15.879 630 HB3 GLN 76 HB1 GLN 76 1.530 -4.414 14.183 631 HG2 GLN 76 HG2 GLN 76 1.358 -2.397 15.524 632 HG3 GLN 76 HG1 GLN 76 -0.234 -2.766 14.867 633 HE21 GLN 76 HE21 GLN 76 1.679 -3.715 17.788 634 HE22 GLN 76 HE22 GLN 76 0.382 -3.540 18.870 635 H LEU 77 HN LEU 77 -2.250 -4.073 15.137 636 HA LEU 77 HA LEU 77 -3.165 -4.551 12.408 637 HB2 LEU 77 HB2 LEU 77 -4.770 -4.440 14.296 638 HB3 LEU 77 HB1 LEU 77 -4.303 -2.765 14.591 639 HG LEU 77 HG LEU 77 -5.060 -2.167 12.299 640 HD11 LEU 77 HD11 LEU 77 -6.592 -4.073 11.271 641 HD12 LEU 77 HD12 LEU 77 -5.528 -5.137 12.186 642 HD13 LEU 77 HD13 LEU 77 -4.862 -4.058 10.958 643 HD21 LEU 77 HD21 LEU 77 -7.240 -3.687 13.737 644 HD22 LEU 77 HD22 LEU 77 -7.396 -2.227 12.759 645 HD23 LEU 77 HD23 LEU 77 -6.601 -2.152 14.330 646 H ILE 78 HN ILE 78 -2.799 -3.269 10.724 647 HA ILE 78 HA ILE 78 -1.468 -0.633 11.169 648 HB ILE 78 HB ILE 78 -1.630 -2.416 8.708 649 HG12 ILE 78 HG12 ILE 78 -0.143 -3.026 10.793 650 HG13 ILE 78 HG11 ILE 78 0.567 -3.087 9.184 651 HG21 ILE 78 HG21 ILE 78 0.207 -0.767 7.930 652 HG22 ILE 78 HG22 ILE 78 -0.402 0.301 9.194 653 HG23 ILE 78 HG23 ILE 78 -1.464 -0.201 7.878 654 HD11 ILE 78 HD11 ILE 78 0.727 -0.530 10.768 655 HD12 ILE 78 HD12 ILE 78 1.785 -1.115 9.496 656 HD13 ILE 78 HD13 ILE 78 1.856 -1.838 11.099 657 H ALA 79 HN ALA 79 -3.939 -2.146 9.058 658 HA ALA 79 HA ALA 79 -5.633 0.224 9.318 659 HB1 ALA 79 HB1 ALA 79 -3.921 0.800 7.527 660 HB2 ALA 79 HB2 ALA 79 -5.611 0.921 7.041 661 HB3 ALA 79 HB3 ALA 79 -4.652 -0.473 6.549 662 H ILE 80 HN ILE 80 -7.688 -0.041 8.345 663 HA ILE 80 HA ILE 80 -8.395 -2.813 7.466 664 HB ILE 80 HB ILE 80 -9.897 -1.077 9.457 665 HG12 ILE 80 HG12 ILE 80 -8.753 -3.863 9.780 666 HG13 ILE 80 HG11 ILE 80 -7.883 -2.406 10.261 667 HG21 ILE 80 HG21 ILE 80 -10.627 -3.583 7.943 668 HG22 ILE 80 HG22 ILE 80 -11.580 -2.118 8.174 669 HG23 ILE 80 HG23 ILE 80 -11.351 -3.240 9.514 670 HD11 ILE 80 HD11 ILE 80 -9.564 -1.833 11.874 671 HD12 ILE 80 HD12 ILE 80 -9.211 -3.546 12.110 672 HD13 ILE 80 HD13 ILE 80 -10.669 -3.058 11.249 673 H GLY 81 HN GLY 81 -9.776 -2.880 5.755 674 HA2 GLY 81 HA2 GLY 81 -11.575 -0.740 5.061 675 HA3 GLY 81 HA1 GLY 81 -10.120 -0.643 4.077 676 H PHE 82 HN PHE 82 -12.429 -1.034 2.808 677 HA PHE 82 HA PHE 82 -12.114 -3.767 1.706 678 HB2 PHE 82 HB2 PHE 82 -14.513 -4.211 1.752 679 HB3 PHE 82 HB1 PHE 82 -13.951 -3.908 3.393 680 HD1 PHE 82 HD2 PHE 82 -15.848 -2.522 0.544 681 HD2 PHE 82 HD1 PHE 82 -14.608 -1.911 4.608 682 HE1 PHE 82 HE2 PHE 82 -17.507 -0.699 0.775 683 HE2 PHE 82 HE1 PHE 82 -16.270 -0.078 4.834 684 HZ PHE 82 HZ PHE 82 -17.713 0.529 2.916 685 H ILE 83 HN ILE 83 -13.212 -3.972 -0.392 686 HA ILE 83 HA ILE 83 -13.075 -1.393 -1.884 687 HB ILE 83 HB ILE 83 -13.031 -4.258 -2.887 688 HG12 ILE 83 HG12 ILE 83 -10.797 -2.215 -2.771 689 HG13 ILE 83 HG11 ILE 83 -11.030 -3.455 -1.539 690 HG21 ILE 83 HG21 ILE 83 -12.804 -1.565 -4.240 691 HG22 ILE 83 HG22 ILE 83 -13.905 -2.887 -4.627 692 HG23 ILE 83 HG23 ILE 83 -12.186 -3.038 -4.985 693 HD11 ILE 83 HD11 ILE 83 -10.661 -5.217 -3.121 694 HD12 ILE 83 HD12 ILE 83 -9.376 -4.040 -3.389 695 HD13 ILE 83 HD13 ILE 83 -10.757 -4.102 -4.484 696 H ASP 84 HN ASP 84 -14.844 -0.466 -2.570 697 HA ASP 84 HA ASP 84 -17.467 -1.755 -2.281 698 HB2 ASP 84 HB2 ASP 84 -16.851 1.009 -3.366 699 HB3 ASP 84 HB1 ASP 84 -18.375 0.434 -2.694 700 H GLU 85 HN GLU 85 -19.052 -1.115 -4.157 701 HA GLU 85 HA GLU 85 -18.331 -2.651 -6.463 702 HB2 GLU 85 HB2 GLU 85 -20.683 -2.317 -5.665 703 HB3 GLU 85 HB1 GLU 85 -20.595 -0.635 -6.190 704 HG2 GLU 85 HG2 GLU 85 -20.201 -1.337 -8.499 705 HG3 GLU 85 HG1 GLU 85 -20.174 -3.029 -8.006 706 H ASN 86 HN ASN 86 -18.263 0.792 -5.756 707 HA ASN 86 HA ASN 86 -17.626 1.543 -8.528 708 HB2 ASN 86 HB2 ASN 86 -18.951 3.049 -7.064 709 HB3 ASN 86 HB1 ASN 86 -17.576 3.186 -5.969 710 HD21 ASN 86 HD21 ASN 86 -18.509 3.789 -9.390 711 HD22 ASN 86 HD22 ASN 86 -17.430 5.081 -9.618 712 H HIS 87 HN HIS 87 -15.897 -0.258 -6.755 713 HA HIS 87 HA HIS 87 -13.627 -0.659 -6.412 714 HB2 HIS 87 HB2 HIS 87 -13.533 -0.239 -8.841 715 HB3 HIS 87 HB1 HIS 87 -13.339 1.487 -8.544 716 HD1 HIS 87 HD1 HIS 87 -11.566 -1.787 -7.677 717 HD2 HIS 87 HD2 HIS 87 -10.708 2.257 -8.229 718 HE1 HIS 87 HE1 HIS 87 -9.049 -1.553 -7.488 719 H ASP 88 HN ASP 88 -15.158 1.667 -5.094 720 HA ASP 88 HA ASP 88 -12.986 3.522 -4.357 721 HB2 ASP 88 HB2 ASP 88 -15.390 4.242 -4.696 722 HB3 ASP 88 HB1 ASP 88 -15.788 3.377 -3.209 723 H MET 89 HN MET 89 -11.593 3.007 -2.827 724 HA MET 89 HA MET 89 -12.085 0.855 -0.915 725 HB2 MET 89 HB2 MET 89 -9.764 2.775 -1.294 726 HB3 MET 89 HB1 MET 89 -9.788 1.493 -0.082 727 HG2 MET 89 HG2 MET 89 -10.097 -0.189 -1.851 728 HG3 MET 89 HG1 MET 89 -10.089 1.083 -3.072 729 HE1 MET 89 HE1 MET 89 -6.760 -0.696 -3.721 730 HE2 MET 89 HE2 MET 89 -7.959 0.314 -4.522 731 HE3 MET 89 HE3 MET 89 -8.478 -1.101 -3.610 732 H ASP 90 HN ASP 90 -12.847 1.065 1.062 733 HA ASP 90 HA ASP 90 -13.180 3.801 2.241 734 HB2 ASP 90 HB2 ASP 90 -14.749 1.234 2.612 735 HB3 ASP 90 HB1 ASP 90 -14.980 2.672 3.609 736 H PHE 91 HN PHE 91 -12.216 4.234 4.119 737 HA PHE 91 HA PHE 91 -10.712 2.044 5.506 738 HB2 PHE 91 HB2 PHE 91 -10.276 5.044 5.619 739 HB3 PHE 91 HB1 PHE 91 -9.263 3.809 6.363 740 HD1 PHE 91 HD2 PHE 91 -8.539 1.853 4.648 741 HD2 PHE 91 HD1 PHE 91 -9.549 5.886 3.560 742 HE1 PHE 91 HE2 PHE 91 -7.263 1.609 2.538 743 HE2 PHE 91 HE1 PHE 91 -8.268 5.638 1.454 744 HZ PHE 91 HZ PHE 91 -7.122 3.500 0.942 745 H LEU 92 HN LEU 92 -11.511 1.403 7.370 746 HA LEU 92 HA LEU 92 -13.439 3.116 8.863 747 HB2 LEU 92 HB2 LEU 92 -12.675 0.181 9.188 748 HB3 LEU 92 HB1 LEU 92 -13.901 1.016 10.139 749 HG LEU 92 HG LEU 92 -14.982 -0.225 8.333 750 HD11 LEU 92 HD11 LEU 92 -15.625 2.250 9.017 751 HD12 LEU 92 HD12 LEU 92 -16.411 1.481 7.644 752 HD13 LEU 92 HD13 LEU 92 -15.103 2.625 7.373 753 HD21 LEU 92 HD21 LEU 92 -13.700 1.484 6.223 754 HD22 LEU 92 HD22 LEU 92 -14.338 -0.147 6.110 755 HD23 LEU 92 HD23 LEU 92 -12.771 0.123 6.854 756 H TYR 93 HN TYR 93 -10.235 1.796 9.004 757 HA TYR 93 HA TYR 93 -9.620 3.494 11.296 758 HB2 TYR 93 HB2 TYR 93 -10.552 1.502 12.417 759 HB3 TYR 93 HB1 TYR 93 -9.372 0.488 11.583 760 HD1 TYR 93 HD1 TYR 93 -9.678 3.411 13.890 761 HD2 TYR 93 HD2 TYR 93 -7.186 0.222 12.452 762 HE1 TYR 93 HE1 TYR 93 -8.011 3.919 15.654 763 HE2 TYR 93 HE2 TYR 93 -5.519 0.730 14.215 764 HH TYR 93 HH TYR 93 -6.096 3.321 16.598 765 H LEU 94 HN LEU 94 -7.876 4.425 10.462 766 HA LEU 94 HA LEU 94 -5.825 2.748 9.084 767 HB2 LEU 94 HB2 LEU 94 -6.669 4.542 7.663 768 HB3 LEU 94 HB1 LEU 94 -6.376 5.729 8.932 769 HG LEU 94 HG LEU 94 -3.972 5.366 8.794 770 HD11 LEU 94 HD11 LEU 94 -4.815 3.102 6.989 771 HD12 LEU 94 HD12 LEU 94 -3.683 3.077 8.343 772 HD13 LEU 94 HD13 LEU 94 -3.215 3.820 6.820 773 HD21 LEU 94 HD21 LEU 94 -4.939 5.525 5.937 774 HD22 LEU 94 HD22 LEU 94 -3.572 6.353 6.680 775 HD23 LEU 94 HD23 LEU 94 -5.219 6.838 7.081 776 H HIS 95 HN HIS 95 -3.989 2.405 10.147 777 HA HIS 95 HA HIS 95 -3.000 4.400 12.121 778 HB2 HIS 95 HB2 HIS 95 -4.383 2.720 13.342 779 HB3 HIS 95 HB1 HIS 95 -3.305 1.453 12.756 780 HD1 HIS 95 HD1 HIS 95 -0.846 1.457 13.670 781 HD2 HIS 95 HD2 HIS 95 -3.323 4.327 15.403 782 HE1 HIS 95 HE1 HIS 95 0.364 2.299 15.729 783 H ASN 96 HN ASN 96 -1.109 4.875 11.226 784 HA ASN 96 HA ASN 96 0.598 2.763 10.014 785 HB2 ASN 96 HB2 ASN 96 0.860 5.782 10.106 786 HB3 ASN 96 HB1 ASN 96 2.011 4.707 9.321 787 HD21 ASN 96 HD21 ASN 96 -0.182 6.777 8.345 788 HD22 ASN 96 HD22 ASN 96 -0.937 5.931 7.079 789 H THR 97 HN THR 97 2.796 2.567 10.661 790 HA THR 97 HA THR 97 3.339 2.155 13.325 791 HB THR 97 HB THR 97 5.770 2.470 12.737 792 HG1 THR 97 HG1 THR 97 4.816 3.026 10.141 793 HG21 THR 97 HG21 THR 97 5.684 0.766 10.808 794 HG22 THR 97 HG22 THR 97 3.929 0.868 10.957 795 HG23 THR 97 HG23 THR 97 4.900 0.306 12.319 796 H VAL 98 HN VAL 98 2.637 3.663 14.744 797 HA VAL 98 HA VAL 98 2.500 5.670 15.928 798 HB VAL 98 HB VAL 98 5.415 5.973 15.192 799 HG11 VAL 98 HG11 VAL 98 5.518 6.752 17.568 800 HG12 VAL 98 HG12 VAL 98 3.767 6.563 17.674 801 HG13 VAL 98 HG13 VAL 98 4.462 7.748 16.567 802 HG21 VAL 98 HG21 VAL 98 5.802 4.433 17.182 803 HG22 VAL 98 HG22 VAL 98 5.172 3.638 15.740 804 HG23 VAL 98 HG23 VAL 98 4.093 4.004 17.084 805 H MET 99 HN MET 99 1.370 6.149 13.627 806 HA MET 99 HA MET 99 1.780 8.943 13.154 807 HB2 MET 99 HB2 MET 99 3.774 8.137 11.948 808 HB3 MET 99 HB1 MET 99 2.756 7.098 10.955 809 HG2 MET 99 HG2 MET 99 2.044 8.846 9.649 810 HG3 MET 99 HG1 MET 99 1.883 9.938 11.023 811 HE1 MET 99 HE1 MET 99 4.407 10.370 12.459 812 HE2 MET 99 HE2 MET 99 3.361 11.596 11.743 813 HE3 MET 99 HE3 MET 99 5.103 11.678 11.490 814 HA PRO 100 HA PRO 100 -2.155 6.657 11.651 815 HB2 PRO 100 HB2 PRO 100 -3.847 7.787 13.540 816 HB3 PRO 100 HB1 PRO 100 -3.042 6.216 13.738 817 HG2 PRO 100 HG2 PRO 100 -2.241 8.895 14.802 818 HG3 PRO 100 HG1 PRO 100 -2.232 7.313 15.608 819 HD2 PRO 100 HD2 PRO 100 0.041 8.399 14.637 820 HD3 PRO 100 HD1 PRO 100 -0.245 6.644 14.565 821 H LEU 101 HN LEU 101 -3.443 7.654 10.164 822 HA LEU 101 HA LEU 101 -3.342 10.654 10.027 823 HB2 LEU 101 HB2 LEU 101 -4.127 8.770 7.790 824 HB3 LEU 101 HB1 LEU 101 -3.637 10.458 7.675 825 HG LEU 101 HG LEU 101 -1.869 8.134 8.493 826 HD11 LEU 101 HD11 LEU 101 -2.391 8.342 6.053 827 HD12 LEU 101 HD12 LEU 101 -0.685 8.605 6.419 828 HD13 LEU 101 HD13 LEU 101 -1.738 9.980 6.091 829 HD21 LEU 101 HD21 LEU 101 -1.115 10.000 9.759 830 HD22 LEU 101 HD22 LEU 101 -1.432 11.125 8.440 831 HD23 LEU 101 HD23 LEU 101 -0.084 9.994 8.329 832 H LEU 102 HN LEU 102 -5.550 7.939 9.245 833 HA LEU 102 HA LEU 102 -7.846 9.737 9.951 834 HB2 LEU 102 HB2 LEU 102 -7.667 8.888 7.554 835 HB3 LEU 102 HB1 LEU 102 -7.934 7.271 8.196 836 HG LEU 102 HG LEU 102 -10.018 8.392 9.389 837 HD11 LEU 102 HD11 LEU 102 -9.502 10.696 8.746 838 HD12 LEU 102 HD12 LEU 102 -10.992 10.187 7.967 839 HD13 LEU 102 HD13 LEU 102 -9.493 10.244 7.044 840 HD21 LEU 102 HD21 LEU 102 -10.248 6.620 7.753 841 HD22 LEU 102 HD22 LEU 102 -9.890 7.734 6.433 842 HD23 LEU 102 HD23 LEU 102 -11.388 7.902 7.347 843 H ASP 103 HN ASP 103 -8.835 9.234 11.774 844 HA ASP 103 HA ASP 103 -9.263 6.405 12.531 845 HB2 ASP 103 HB2 ASP 103 -7.702 8.388 14.203 846 HB3 ASP 103 HB1 ASP 103 -8.522 7.006 14.925 847 H GLN 104 HN GLN 104 -11.425 7.238 11.876 848 HA GLN 104 HA GLN 104 -12.737 8.973 13.940 849 HB2 GLN 104 HB2 GLN 104 -12.992 9.585 11.510 850 HB3 GLN 104 HB1 GLN 104 -13.831 8.053 11.259 851 HG2 GLN 104 HG2 GLN 104 -15.566 8.679 12.837 852 HG3 GLN 104 HG1 GLN 104 -14.691 10.144 13.277 853 HE21 GLN 104 HE21 GLN 104 -17.347 10.304 12.260 854 HE22 GLN 104 HE22 GLN 104 -17.304 11.025 10.725 855 H ARG 105 HN ARG 105 -13.646 7.868 15.526 856 HA ARG 105 HA ARG 105 -14.212 5.049 15.469 857 HB2 ARG 105 HB2 ARG 105 -15.051 7.251 17.385 858 HB3 ARG 105 HB1 ARG 105 -15.389 5.540 17.653 859 HG2 ARG 105 HG2 ARG 105 -13.007 5.018 17.618 860 HG3 ARG 105 HG1 ARG 105 -12.619 6.693 17.229 861 HD2 ARG 105 HD2 ARG 105 -12.282 6.299 19.627 862 HD3 ARG 105 HD1 ARG 105 -13.633 7.409 19.388 863 HE ARG 105 HE ARG 105 -14.611 4.711 19.509 864 HH11 ARG 105 HH21 ARG 105 -13.252 7.251 21.446 865 HH12 ARG 105 HH22 ARG 105 -14.039 6.725 22.898 866 HH21 ARG 105 HH11 ARG 105 -15.629 4.037 21.395 867 HH22 ARG 105 HH12 ARG 105 -15.378 4.912 22.868 868 H TYR 106 HN TYR 106 -16.200 7.945 15.056 869 HA TYR 106 HA TYR 106 -18.763 6.737 15.154 870 HB2 TYR 106 HB2 TYR 106 -17.821 9.083 13.464 871 HB3 TYR 106 HB1 TYR 106 -19.507 8.677 13.776 872 HD1 TYR 106 HD1 TYR 106 -16.381 9.973 15.245 873 HD2 TYR 106 HD2 TYR 106 -20.505 9.014 15.975 874 HE1 TYR 106 HE1 TYR 106 -16.298 11.237 17.378 875 HE2 TYR 106 HE2 TYR 106 -20.421 10.278 18.108 876 HH TYR 106 HH TYR 106 -19.077 11.300 19.588 877 H LEU 107 HN LEU 107 -16.513 7.196 12.461 878 HA LEU 107 HA LEU 107 -18.166 6.079 10.422 879 HB2 LEU 107 HB2 LEU 107 -16.156 7.417 9.911 880 HB3 LEU 107 HB1 LEU 107 -15.130 6.196 10.662 881 HG LEU 107 HG LEU 107 -15.827 4.554 8.971 882 HD11 LEU 107 HD11 LEU 107 -17.110 5.610 6.944 883 HD12 LEU 107 HD12 LEU 107 -17.641 6.805 8.127 884 HD13 LEU 107 HD13 LEU 107 -18.021 5.098 8.361 885 HD21 LEU 107 HD21 LEU 107 -13.864 5.845 8.415 886 HD22 LEU 107 HD22 LEU 107 -14.849 7.205 7.874 887 HD23 LEU 107 HD23 LEU 107 -14.838 5.701 6.952 888 H LEU 108 HN LEU 108 -15.760 4.702 12.620 889 HA LEU 108 HA LEU 108 -15.716 2.062 11.566 890 HB2 LEU 108 HB2 LEU 108 -14.273 3.262 13.475 891 HB3 LEU 108 HB1 LEU 108 -15.466 2.527 14.544 892 HG LEU 108 HG LEU 108 -13.812 1.042 12.484 893 HD11 LEU 108 HD11 LEU 108 -13.603 1.319 15.482 894 HD12 LEU 108 HD12 LEU 108 -12.362 1.640 14.269 895 HD13 LEU 108 HD13 LEU 108 -12.862 -0.018 14.604 896 HD21 LEU 108 HD21 LEU 108 -15.761 -0.229 12.675 897 HD22 LEU 108 HD22 LEU 108 -16.035 0.237 14.354 898 HD23 LEU 108 HD23 LEU 108 -14.777 -0.928 13.954 899 H THR 109 HN THR 109 -17.674 3.478 14.194 900 HA THR 109 HA THR 109 -19.320 1.011 14.317 901 HB THR 109 HB THR 109 -19.787 3.515 15.955 902 HG1 THR 109 HG1 THR 109 -17.561 2.950 16.069 903 HG21 THR 109 HG21 THR 109 -20.508 1.813 17.620 904 HG22 THR 109 HG22 THR 109 -20.137 0.545 16.453 905 HG23 THR 109 HG23 THR 109 -21.425 1.701 16.119 906 H GLY 110 HN GLY 110 -19.222 3.668 12.423 907 HA2 GLY 110 HA2 GLY 110 -21.687 4.908 12.304 908 HA3 GLY 110 HA1 GLY 110 -20.780 4.477 10.856 909 H GLY 111 HN GLY 111 -23.625 3.999 12.510 910 HA2 GLY 111 HA2 GLY 111 -24.174 1.269 11.608 911 HA3 GLY 111 HA1 GLY 111 -25.301 2.339 12.437 912 H GLN 112 HN GLN 112 -26.727 1.374 10.752 913 HA GLN 112 HA GLN 112 -26.497 1.947 7.981 914 HB2 GLN 112 HB2 GLN 112 -28.998 1.603 7.946 915 HB3 GLN 112 HB1 GLN 112 -28.098 0.295 8.708 916 HG2 GLN 112 HG2 GLN 112 -29.207 2.573 10.354 917 HG3 GLN 112 HG1 GLN 112 -30.215 1.193 9.921 918 HE21 GLN 112 HE21 GLN 112 -28.682 2.199 12.528 919 HE22 GLN 112 HE22 GLN 112 -28.006 0.760 13.121 920 H LEU 113 HN LEU 113 -27.676 3.494 6.724 921 HA LEU 113 HA LEU 113 -27.482 6.176 7.803 922 HB2 LEU 113 HB2 LEU 113 -28.373 5.029 5.149 923 HB3 LEU 113 HB1 LEU 113 -28.534 6.751 5.499 924 HG LEU 113 HG LEU 113 -26.108 6.860 6.013 925 HD11 LEU 113 HD11 LEU 113 -24.761 4.824 5.171 926 HD12 LEU 113 HD12 LEU 113 -26.276 3.929 5.296 927 HD13 LEU 113 HD13 LEU 113 -25.564 4.667 6.732 928 HD21 LEU 113 HD21 LEU 113 -25.313 6.481 3.657 929 HD22 LEU 113 HD22 LEU 113 -26.809 7.409 3.748 930 HD23 LEU 113 HD23 LEU 113 -26.855 5.702 3.308 931 H GLU 114 HN GLU 114 -29.062 7.526 8.435 932 HA GLU 114 HA GLU 114 -31.920 6.776 8.148 933 HB2 GLU 114 HB2 GLU 114 -31.123 5.762 10.295 934 HB3 GLU 114 HB1 GLU 114 -30.624 7.366 10.834 935 HG2 GLU 114 HG2 GLU 114 -32.935 8.172 10.648 936 HG3 GLU 114 HG1 GLU 114 -33.449 6.595 10.051 937 H HIS 115 HN HIS 115 -29.468 9.072 9.277 938 HA HIS 115 HA HIS 115 -31.163 11.341 9.634 939 HB2 HIS 115 HB2 HIS 115 -28.216 11.129 8.921 940 HB3 HIS 115 HB1 HIS 115 -29.017 12.649 9.314 941 HD1 HIS 115 HD1 HIS 115 -26.803 10.766 10.999 942 HD2 HIS 115 HD2 HIS 115 -30.778 11.621 11.922 943 HE1 HIS 115 HE1 HIS 115 -27.044 10.444 13.500 944 H HIS 116 HN HIS 116 -29.370 10.154 6.811 945 HA HIS 116 HA HIS 116 -30.285 12.375 5.127 946 HB2 HIS 116 HB2 HIS 116 -28.047 11.303 4.820 947 HB3 HIS 116 HB1 HIS 116 -28.857 9.819 4.317 948 HD1 HIS 116 HD1 HIS 116 -30.103 9.854 2.016 949 HD2 HIS 116 HD2 HIS 116 -28.103 13.401 2.912 950 HE1 HIS 116 HE1 HIS 116 -30.062 11.215 -0.121 951 H HIS 117 HN HIS 117 -32.048 12.399 3.930 952 HA HIS 117 HA HIS 117 -33.344 9.899 3.030 953 HB2 HIS 117 HB2 HIS 117 -34.356 10.366 5.243 954 HB3 HIS 117 HB1 HIS 117 -34.814 11.975 4.681 955 HD1 HIS 117 HD1 HIS 117 -35.298 8.357 3.551 956 HD2 HIS 117 HD2 HIS 117 -37.322 12.002 3.531 957 HE1 HIS 117 HE1 HIS 117 -37.584 7.902 2.559 958 H HIS 118 HN HIS 118 -34.600 10.189 1.219 959 HA HIS 118 HA HIS 118 -34.064 12.553 -0.378 960 HB2 HIS 118 HB2 HIS 118 -35.867 10.159 -0.887 961 HB3 HIS 118 HB1 HIS 118 -35.456 11.388 -2.086 962 HD1 HIS 118 HD1 HIS 118 -32.758 11.663 -2.513 963 HD2 HIS 118 HD2 HIS 118 -34.016 8.099 -0.754 964 HE1 HIS 118 HE1 HIS 118 -30.844 10.024 -2.767 965 H HIS 119 HN HIS 119 -35.494 14.110 -1.028 966 HA HIS 119 HA HIS 119 -37.234 15.636 -0.812 967 HB2 HIS 119 HB2 HIS 119 -38.511 13.822 -1.856 968 HB3 HIS 119 HB1 HIS 119 -38.821 13.116 -0.269 969 HD1 HIS 119 HD1 HIS 119 -39.288 16.548 -1.906 970 HD2 HIS 119 HD2 HIS 119 -41.227 13.979 0.746 971 HE1 HIS 119 HE1 HIS 119 -41.482 17.661 -1.303 972 H HIS 120 HN HIS 120 -38.598 16.715 0.718 973 HA HIS 120 HA HIS 120 -38.865 15.768 3.447 974 HB2 HIS 120 HB2 HIS 120 -36.452 16.403 3.399 975 HB3 HIS 120 HB1 HIS 120 -36.925 18.045 2.955 976 HD1 HIS 120 HD1 HIS 120 -38.411 19.364 4.736 977 HD2 HIS 120 HD2 HIS 120 -36.715 15.818 6.127 978 HE1 HIS 120 HE1 HIS 120 -38.608 19.417 7.260 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -7.366 -8.023 20.043 2 H2 MET 1 HT2 MET 1 -8.733 -7.481 19.194 3 H3 MET 1 HT3 MET 1 -7.422 -8.159 18.352 4 HA MET 1 HA MET 1 -8.109 -10.239 18.679 5 HB2 MET 1 HB2 MET 1 -7.394 -10.053 21.057 6 HB3 MET 1 HB1 MET 1 -8.979 -9.394 21.463 7 HG2 MET 1 HG2 MET 1 -10.054 -11.464 20.674 8 HG3 MET 1 HG1 MET 1 -8.476 -12.123 20.236 9 HE1 MET 1 HE1 MET 1 -10.660 -13.524 22.440 10 HE2 MET 1 HE2 MET 1 -9.293 -14.315 23.220 11 HE3 MET 1 HE3 MET 1 -9.295 -14.097 21.471 12 H THR 2 HN THR 2 -10.255 -7.719 19.938 13 HA THR 2 HA THR 2 -12.619 -9.169 18.837 14 HB THR 2 HB THR 2 -13.941 -7.549 20.119 15 HG1 THR 2 HG1 THR 2 -12.728 -5.736 20.052 16 HG21 THR 2 HG21 THR 2 -13.163 -9.555 21.293 17 HG22 THR 2 HG22 THR 2 -13.183 -8.180 22.397 18 HG23 THR 2 HG23 THR 2 -11.657 -8.742 21.715 19 H LEU 3 HN LEU 3 -10.341 -6.972 17.879 20 HA LEU 3 HA LEU 3 -11.865 -4.943 16.556 21 HB2 LEU 3 HB2 LEU 3 -9.134 -6.112 15.927 22 HB3 LEU 3 HB1 LEU 3 -9.790 -4.667 15.161 23 HG LEU 3 HG LEU 3 -9.389 -4.986 18.153 24 HD11 LEU 3 HD11 LEU 3 -7.762 -3.250 16.293 25 HD12 LEU 3 HD12 LEU 3 -7.286 -4.908 16.656 26 HD13 LEU 3 HD13 LEU 3 -7.394 -3.718 17.951 27 HD21 LEU 3 HD21 LEU 3 -11.021 -3.325 17.949 28 HD22 LEU 3 HD22 LEU 3 -10.432 -2.783 16.379 29 HD23 LEU 3 HD23 LEU 3 -9.555 -2.354 17.847 30 H GLU 4 HN GLU 4 -10.690 -8.126 15.489 31 HA GLU 4 HA GLU 4 -11.514 -7.902 12.767 32 HB2 GLU 4 HB2 GLU 4 -11.467 -10.427 12.831 33 HB3 GLU 4 HB1 GLU 4 -9.995 -9.662 13.432 34 HG2 GLU 4 HG2 GLU 4 -10.858 -9.899 15.759 35 HG3 GLU 4 HG1 GLU 4 -12.264 -10.752 15.126 36 H LEU 5 HN LEU 5 -13.214 -9.034 15.664 37 HA LEU 5 HA LEU 5 -15.560 -9.982 14.348 38 HB2 LEU 5 HB2 LEU 5 -14.930 -9.025 17.136 39 HB3 LEU 5 HB1 LEU 5 -16.587 -9.441 16.701 40 HG LEU 5 HG LEU 5 -14.366 -11.386 16.059 41 HD11 LEU 5 HD11 LEU 5 -15.598 -10.852 18.765 42 HD12 LEU 5 HD12 LEU 5 -13.897 -11.056 18.354 43 HD13 LEU 5 HD13 LEU 5 -14.977 -12.447 18.340 44 HD21 LEU 5 HD21 LEU 5 -16.656 -11.810 15.212 45 HD22 LEU 5 HD22 LEU 5 -17.285 -11.691 16.853 46 HD23 LEU 5 HD23 LEU 5 -16.204 -13.013 16.417 47 H GLN 6 HN GLN 6 -14.705 -6.783 15.641 48 HA GLN 6 HA GLN 6 -17.246 -5.562 15.213 49 HB2 GLN 6 HB2 GLN 6 -14.446 -4.395 15.224 50 HB3 GLN 6 HB1 GLN 6 -15.916 -3.422 15.185 51 HG2 GLN 6 HG2 GLN 6 -16.657 -4.398 17.306 52 HG3 GLN 6 HG1 GLN 6 -15.240 -5.448 17.340 53 HE21 GLN 6 HE21 GLN 6 -15.155 -4.041 19.534 54 HE22 GLN 6 HE22 GLN 6 -14.192 -2.645 19.436 55 H LEU 7 HN LEU 7 -14.447 -6.025 13.079 56 HA LEU 7 HA LEU 7 -15.356 -4.380 10.941 57 HB2 LEU 7 HB2 LEU 7 -13.062 -5.256 11.042 58 HB3 LEU 7 HB1 LEU 7 -13.663 -6.902 10.865 59 HG LEU 7 HG LEU 7 -14.557 -6.353 8.636 60 HD11 LEU 7 HD11 LEU 7 -13.633 -3.589 9.397 61 HD12 LEU 7 HD12 LEU 7 -15.152 -4.091 8.654 62 HD13 LEU 7 HD13 LEU 7 -13.672 -4.061 7.698 63 HD21 LEU 7 HD21 LEU 7 -11.656 -5.743 9.202 64 HD22 LEU 7 HD22 LEU 7 -12.287 -5.769 7.555 65 HD23 LEU 7 HD23 LEU 7 -12.365 -7.222 8.551 66 H LYS 8 HN LYS 8 -15.849 -7.850 11.598 67 HA LYS 8 HA LYS 8 -17.347 -8.389 9.227 68 HB2 LYS 8 HB2 LYS 8 -17.326 -9.715 11.947 69 HB3 LYS 8 HB1 LYS 8 -18.209 -10.363 10.563 70 HG2 LYS 8 HG2 LYS 8 -16.072 -10.380 9.263 71 HG3 LYS 8 HG1 LYS 8 -15.218 -9.871 10.720 72 HD2 LYS 8 HD2 LYS 8 -16.940 -12.359 10.622 73 HD3 LYS 8 HD1 LYS 8 -15.218 -12.384 10.252 74 HE2 LYS 8 HE2 LYS 8 -14.860 -11.272 12.534 75 HE3 LYS 8 HE1 LYS 8 -16.544 -11.669 12.876 76 HZ1 LYS 8 HZ1 LYS 8 -14.236 -13.408 12.682 77 HZ2 LYS 8 HZ2 LYS 8 -15.650 -13.997 11.946 78 HZ3 LYS 8 HZ3 LYS 8 -15.656 -13.581 13.594 79 H HIS 9 HN HIS 9 -18.344 -7.385 12.484 80 HA HIS 9 HA HIS 9 -21.161 -7.491 11.966 81 HB2 HIS 9 HB2 HIS 9 -19.481 -5.973 13.978 82 HB3 HIS 9 HB1 HIS 9 -21.243 -5.886 13.957 83 HD1 HIS 9 HD1 HIS 9 -18.576 -8.631 13.962 84 HD2 HIS 9 HD2 HIS 9 -22.388 -7.883 15.476 85 HE1 HIS 9 HE1 HIS 9 -19.186 -10.634 15.385 86 H TYR 10 HN TYR 10 -18.737 -4.898 11.690 87 HA TYR 10 HA TYR 10 -20.545 -2.807 10.981 88 HB2 TYR 10 HB2 TYR 10 -18.231 -2.336 11.623 89 HB3 TYR 10 HB1 TYR 10 -17.635 -3.217 10.215 90 HD1 TYR 10 HD1 TYR 10 -19.566 -0.230 11.304 91 HD2 TYR 10 HD2 TYR 10 -17.605 -2.222 8.042 92 HE1 TYR 10 HE1 TYR 10 -19.784 1.817 9.920 93 HE2 TYR 10 HE2 TYR 10 -17.824 -0.177 6.659 94 HH TYR 10 HH TYR 10 -18.939 2.850 8.021 95 H ILE 11 HN ILE 11 -18.655 -5.054 8.952 96 HA ILE 11 HA ILE 11 -19.566 -4.043 6.445 97 HB ILE 11 HB ILE 11 -18.589 -6.797 7.269 98 HG12 ILE 11 HG12 ILE 11 -17.173 -4.630 5.694 99 HG13 ILE 11 HG11 ILE 11 -17.050 -4.765 7.449 100 HG21 ILE 11 HG21 ILE 11 -19.812 -7.153 5.258 101 HG22 ILE 11 HG22 ILE 11 -18.131 -6.987 4.750 102 HG23 ILE 11 HG23 ILE 11 -19.250 -5.637 4.557 103 HD11 ILE 11 HD11 ILE 11 -16.284 -6.892 5.429 104 HD12 ILE 11 HD12 ILE 11 -16.252 -7.112 7.178 105 HD13 ILE 11 HD13 ILE 11 -15.174 -5.942 6.416 106 H THR 12 HN THR 12 -20.785 -6.661 8.524 107 HA THR 12 HA THR 12 -22.894 -7.440 6.741 108 HB THR 12 HB THR 12 -23.817 -8.577 8.790 109 HG1 THR 12 HG1 THR 12 -22.779 -6.803 10.108 110 HG21 THR 12 HG21 THR 12 -21.685 -9.966 9.173 111 HG22 THR 12 HG22 THR 12 -20.913 -8.881 8.016 112 HG23 THR 12 HG23 THR 12 -22.288 -9.870 7.519 113 H ASN 13 HN ASN 13 -22.806 -5.196 9.516 114 HA ASN 13 HA ASN 13 -25.631 -4.698 9.538 115 HB2 ASN 13 HB2 ASN 13 -24.208 -4.150 11.450 116 HB3 ASN 13 HB1 ASN 13 -23.317 -2.976 10.482 117 HD21 ASN 13 HD21 ASN 13 -26.325 -3.544 12.222 118 HD22 ASN 13 HD22 ASN 13 -26.939 -1.972 12.046 119 H LEU 14 HN LEU 14 -22.927 -2.892 8.067 120 HA LEU 14 HA LEU 14 -24.544 -0.830 6.933 121 HB2 LEU 14 HB2 LEU 14 -21.767 -1.869 6.537 122 HB3 LEU 14 HB1 LEU 14 -22.406 -0.816 5.281 123 HG LEU 14 HG LEU 14 -21.125 0.361 7.125 124 HD11 LEU 14 HD11 LEU 14 -22.438 2.255 6.958 125 HD12 LEU 14 HD12 LEU 14 -23.944 1.388 7.245 126 HD13 LEU 14 HD13 LEU 14 -23.162 1.302 5.667 127 HD21 LEU 14 HD21 LEU 14 -21.922 0.464 9.318 128 HD22 LEU 14 HD22 LEU 14 -22.277 -1.209 8.896 129 HD23 LEU 14 HD23 LEU 14 -23.561 -0.001 8.863 130 H PHE 15 HN PHE 15 -23.394 -3.912 5.585 131 HA PHE 15 HA PHE 15 -24.958 -3.390 3.113 132 HB2 PHE 15 HB2 PHE 15 -22.901 -5.466 3.901 133 HB3 PHE 15 HB1 PHE 15 -23.834 -5.576 2.404 134 HD1 PHE 15 HD1 PHE 15 -23.739 -3.663 0.752 135 HD2 PHE 15 HD2 PHE 15 -21.026 -3.996 4.068 136 HE1 PHE 15 HE1 PHE 15 -22.184 -2.085 -0.360 137 HE2 PHE 15 HE2 PHE 15 -19.472 -2.416 2.952 138 HZ PHE 15 HZ PHE 15 -20.051 -1.462 0.739 139 H ASN 16 HN ASN 16 -25.538 -4.617 6.124 140 HA ASN 16 HA ASN 16 -27.159 -6.062 7.011 141 HB2 ASN 16 HB2 ASN 16 -28.573 -4.471 5.637 142 HB3 ASN 16 HB1 ASN 16 -28.542 -5.673 4.346 143 HD21 ASN 16 HD21 ASN 16 -30.968 -4.877 5.779 144 HD22 ASN 16 HD22 ASN 16 -31.534 -6.246 6.606 145 H LEU 17 HN LEU 17 -24.984 -7.412 5.955 146 HA LEU 17 HA LEU 17 -26.079 -9.579 4.274 147 HB2 LEU 17 HB2 LEU 17 -23.241 -9.169 5.237 148 HB3 LEU 17 HB1 LEU 17 -23.771 -10.302 3.997 149 HG LEU 17 HG LEU 17 -24.239 -7.327 3.795 150 HD11 LEU 17 HD11 LEU 17 -22.290 -7.364 2.191 151 HD12 LEU 17 HD12 LEU 17 -21.916 -8.981 2.787 152 HD13 LEU 17 HD13 LEU 17 -21.848 -7.600 3.882 153 HD21 LEU 17 HD21 LEU 17 -24.436 -9.660 1.885 154 HD22 LEU 17 HD22 LEU 17 -24.303 -8.001 1.305 155 HD23 LEU 17 HD23 LEU 17 -25.675 -8.478 2.297 156 HA PRO 18 HA PRO 18 -26.750 -12.457 7.592 157 HB2 PRO 18 HB2 PRO 18 -25.066 -14.400 6.049 158 HB3 PRO 18 HB1 PRO 18 -26.699 -14.605 6.712 159 HG2 PRO 18 HG2 PRO 18 -26.297 -14.218 4.106 160 HG3 PRO 18 HG1 PRO 18 -27.694 -13.514 4.943 161 HD2 PRO 18 HD2 PRO 18 -25.210 -12.160 3.970 162 HD3 PRO 18 HD1 PRO 18 -26.869 -11.545 4.114 163 H ARG 19 HN ARG 19 -25.737 -12.831 9.512 164 HA ARG 19 HA ARG 19 -22.821 -12.359 9.709 165 HB2 ARG 19 HB2 ARG 19 -24.387 -11.216 11.265 166 HB3 ARG 19 HB1 ARG 19 -24.903 -12.787 11.877 167 HG2 ARG 19 HG2 ARG 19 -22.645 -13.272 12.655 168 HG3 ARG 19 HG1 ARG 19 -22.046 -11.769 11.948 169 HD2 ARG 19 HD2 ARG 19 -23.523 -10.475 13.430 170 HD3 ARG 19 HD1 ARG 19 -24.133 -11.970 14.140 171 HE ARG 19 HE ARG 19 -21.491 -10.766 14.631 172 HH11 ARG 19 HH21 ARG 19 -23.579 -13.514 14.840 173 HH12 ARG 19 HH22 ARG 19 -22.680 -14.258 16.118 174 HH21 ARG 19 HH11 ARG 19 -20.313 -11.731 16.294 175 HH22 ARG 19 HH12 ARG 19 -20.834 -13.252 16.939 176 H ASP 20 HN ASP 20 -25.087 -14.955 9.699 177 HA ASP 20 HA ASP 20 -23.360 -16.811 11.173 178 HB2 ASP 20 HB2 ASP 20 -25.084 -18.446 10.744 179 HB3 ASP 20 HB1 ASP 20 -25.879 -16.933 11.175 180 H GLU 21 HN GLU 21 -22.995 -15.444 8.251 181 HA GLU 21 HA GLU 21 -22.336 -17.887 6.725 182 HB2 GLU 21 HB2 GLU 21 -23.370 -15.945 5.583 183 HB3 GLU 21 HB1 GLU 21 -21.962 -14.964 5.998 184 HG2 GLU 21 HG2 GLU 21 -20.506 -16.430 4.709 185 HG3 GLU 21 HG1 GLU 21 -21.849 -17.524 4.378 186 H LYS 22 HN LYS 22 -20.381 -18.801 6.829 187 HA LYS 22 HA LYS 22 -18.215 -17.542 8.314 188 HB2 LYS 22 HB2 LYS 22 -18.314 -20.136 6.745 189 HB3 LYS 22 HB1 LYS 22 -17.023 -19.661 7.849 190 HG2 LYS 22 HG2 LYS 22 -19.903 -19.812 8.752 191 HG3 LYS 22 HG1 LYS 22 -18.850 -21.224 8.785 192 HD2 LYS 22 HD2 LYS 22 -17.225 -19.898 10.176 193 HD3 LYS 22 HD1 LYS 22 -18.417 -18.603 10.256 194 HE2 LYS 22 HE2 LYS 22 -18.922 -21.442 11.174 195 HE3 LYS 22 HE1 LYS 22 -18.513 -20.098 12.240 196 HZ1 LYS 22 HZ1 LYS 22 -20.509 -19.054 11.840 197 HZ2 LYS 22 HZ2 LYS 22 -20.978 -20.687 11.835 198 HZ3 LYS 22 HZ3 LYS 22 -20.770 -19.854 10.368 199 H TRP 23 HN TRP 23 -16.246 -16.836 7.518 200 HA TRP 23 HA TRP 23 -16.187 -16.236 4.586 201 HB2 TRP 23 HB2 TRP 23 -15.076 -14.907 7.054 202 HB3 TRP 23 HB1 TRP 23 -14.280 -14.634 5.507 203 HD1 TRP 23 HD1 TRP 23 -15.765 -13.532 3.542 204 HE1 TRP 23 HE1 TRP 23 -17.802 -11.957 3.661 205 HE3 TRP 23 HE3 TRP 23 -17.158 -14.259 8.400 206 HZ2 TRP 23 HZ2 TRP 23 -19.762 -11.116 5.565 207 HZ3 TRP 23 HZ3 TRP 23 -19.112 -13.058 9.340 208 HH2 TRP 23 HH2 TRP 23 -20.414 -11.491 7.929 209 H GLU 24 HN GLU 24 -13.985 -16.270 3.593 210 HA GLU 24 HA GLU 24 -12.404 -18.613 4.602 211 HB2 GLU 24 HB2 GLU 24 -12.764 -17.467 1.817 212 HB3 GLU 24 HB1 GLU 24 -11.614 -18.747 2.215 213 HG2 GLU 24 HG2 GLU 24 -13.448 -20.157 3.049 214 HG3 GLU 24 HG1 GLU 24 -14.607 -18.877 2.692 215 H CYS 25 HN CYS 25 -10.494 -18.100 5.468 216 HA CYS 25 HA CYS 25 -9.391 -15.408 5.191 217 HB2 CYS 25 HB2 CYS 25 -7.577 -16.397 6.689 218 HB3 CYS 25 HB1 CYS 25 -9.211 -16.417 7.356 219 HG CYS 25 HG CYS 25 -7.587 -18.848 7.018 220 H GLU 26 HN GLU 26 -7.911 -14.811 3.712 221 HA GLU 26 HA GLU 26 -6.129 -16.892 2.495 222 HB2 GLU 26 HB2 GLU 26 -8.084 -16.178 0.990 223 HB3 GLU 26 HB1 GLU 26 -7.323 -14.587 0.936 224 HG2 GLU 26 HG2 GLU 26 -6.508 -15.785 -0.973 225 HG3 GLU 26 HG1 GLU 26 -5.192 -15.767 0.201 226 H SER 27 HN SER 27 -4.111 -16.315 3.117 227 HA SER 27 HA SER 27 -3.500 -13.454 3.637 228 HB2 SER 27 HB2 SER 27 -1.946 -15.983 4.226 229 HB3 SER 27 HB1 SER 27 -1.431 -14.356 4.668 230 HG SER 27 HG SER 27 -2.808 -14.378 6.260 231 H ILE 28 HN ILE 28 -2.622 -12.307 2.012 232 HA ILE 28 HA ILE 28 -0.635 -13.649 0.222 233 HB ILE 28 HB ILE 28 -2.881 -11.812 -0.674 234 HG12 ILE 28 HG12 ILE 28 -2.323 -14.722 -1.334 235 HG13 ILE 28 HG11 ILE 28 -3.508 -14.189 -0.145 236 HG21 ILE 28 HG21 ILE 28 -1.969 -12.337 -2.951 237 HG22 ILE 28 HG22 ILE 28 -0.599 -13.132 -2.176 238 HG23 ILE 28 HG23 ILE 28 -0.852 -11.401 -1.962 239 HD11 ILE 28 HD11 ILE 28 -4.637 -12.855 -1.940 240 HD12 ILE 28 HD12 ILE 28 -4.658 -14.593 -2.242 241 HD13 ILE 28 HD13 ILE 28 -3.518 -13.561 -3.106 242 H GLU 29 HN GLU 29 1.182 -12.467 -0.040 243 HA GLU 29 HA GLU 29 1.463 -9.963 1.426 244 HB2 GLU 29 HB2 GLU 29 3.342 -11.561 -0.333 245 HB3 GLU 29 HB1 GLU 29 3.816 -10.081 0.503 246 HG2 GLU 29 HG2 GLU 29 3.273 -11.076 2.662 247 HG3 GLU 29 HG1 GLU 29 2.668 -12.531 1.871 248 H GLU 30 HN GLU 30 1.160 -7.953 0.588 249 HA GLU 30 HA GLU 30 1.519 -7.538 -2.345 250 HB2 GLU 30 HB2 GLU 30 -0.943 -6.759 -0.751 251 HB3 GLU 30 HB1 GLU 30 -0.585 -6.164 -2.371 252 HG2 GLU 30 HG2 GLU 30 -0.870 -9.093 -1.640 253 HG3 GLU 30 HG1 GLU 30 -2.135 -8.120 -2.388 254 H VAL 31 HN VAL 31 1.939 -5.357 -2.906 255 HA VAL 31 HA VAL 31 3.389 -3.894 -0.848 256 HB VAL 31 HB VAL 31 2.769 -3.073 -3.699 257 HG11 VAL 31 HG11 VAL 31 4.700 -1.642 -3.470 258 HG12 VAL 31 HG12 VAL 31 5.073 -2.311 -1.883 259 HG13 VAL 31 HG13 VAL 31 3.637 -1.314 -2.105 260 HG21 VAL 31 HG21 VAL 31 4.970 -4.070 -4.225 261 HG22 VAL 31 HG22 VAL 31 3.851 -5.287 -3.611 262 HG23 VAL 31 HG23 VAL 31 5.108 -4.634 -2.560 263 H ALA 32 HN ALA 32 2.761 -2.016 0.168 264 HA ALA 32 HA ALA 32 0.078 -1.388 0.617 265 HB1 ALA 32 HB1 ALA 32 0.857 0.693 1.556 266 HB2 ALA 32 HB2 ALA 32 2.324 0.646 0.579 267 HB3 ALA 32 HB3 ALA 32 2.094 -0.522 1.879 268 H ASP 33 HN ASP 33 2.220 -0.222 -1.942 269 HA ASP 33 HA ASP 33 0.394 1.771 -2.966 270 HB2 ASP 33 HB2 ASP 33 2.782 0.351 -4.177 271 HB3 ASP 33 HB1 ASP 33 1.904 1.642 -4.997 272 H ASP 34 HN ASP 34 0.566 -1.668 -3.243 273 HA ASP 34 HA ASP 34 -0.959 -1.737 -5.776 274 HB2 ASP 34 HB2 ASP 34 0.071 -3.911 -3.936 275 HB3 ASP 34 HB1 ASP 34 -0.867 -4.228 -5.394 276 H ILE 35 HN ILE 35 -1.716 -1.261 -2.565 277 HA ILE 35 HA ILE 35 -4.515 -2.223 -3.018 278 HB ILE 35 HB ILE 35 -4.396 -2.639 -0.385 279 HG12 ILE 35 HG12 ILE 35 -1.566 -3.378 -1.166 280 HG13 ILE 35 HG11 ILE 35 -1.936 -1.806 -0.464 281 HG21 ILE 35 HG21 ILE 35 -3.272 -4.544 -2.463 282 HG22 ILE 35 HG22 ILE 35 -4.962 -4.385 -1.983 283 HG23 ILE 35 HG23 ILE 35 -3.776 -5.014 -0.840 284 HD11 ILE 35 HD11 ILE 35 -1.260 -3.676 1.168 285 HD12 ILE 35 HD12 ILE 35 -2.848 -4.369 0.842 286 HD13 ILE 35 HD13 ILE 35 -2.716 -2.762 1.560 287 H LEU 36 HN LEU 36 -2.369 -0.172 -1.013 288 HA LEU 36 HA LEU 36 -4.674 1.538 -0.355 289 HB2 LEU 36 HB2 LEU 36 -1.794 1.842 0.496 290 HB3 LEU 36 HB1 LEU 36 -3.198 2.639 1.201 291 HG LEU 36 HG LEU 36 -2.745 -0.360 1.170 292 HD11 LEU 36 HD11 LEU 36 -2.307 1.768 3.271 293 HD12 LEU 36 HD12 LEU 36 -1.168 0.553 2.695 294 HD13 LEU 36 HD13 LEU 36 -2.536 0.072 3.697 295 HD21 LEU 36 HD21 LEU 36 -4.626 -0.154 2.957 296 HD22 LEU 36 HD22 LEU 36 -5.087 -0.025 1.264 297 HD23 LEU 36 HD23 LEU 36 -4.928 1.432 2.246 298 HA PRO 37 HA PRO 37 -3.938 4.362 -3.775 299 HB2 PRO 37 HB2 PRO 37 -4.562 6.473 -1.740 300 HB3 PRO 37 HB1 PRO 37 -5.250 6.231 -3.357 301 HG2 PRO 37 HG2 PRO 37 -6.575 5.571 -1.105 302 HG3 PRO 37 HG1 PRO 37 -6.765 4.678 -2.623 303 HD2 PRO 37 HD2 PRO 37 -5.391 3.840 -0.128 304 HD3 PRO 37 HD1 PRO 37 -6.070 2.854 -1.442 305 H ASP 38 HN ASP 38 -2.350 5.915 -4.434 306 HA ASP 38 HA ASP 38 0.171 5.782 -3.099 307 HB2 ASP 38 HB2 ASP 38 -0.957 7.412 -5.369 308 HB3 ASP 38 HB1 ASP 38 0.627 7.830 -4.719 309 H GLN 39 HN GLN 39 -2.419 8.204 -3.066 310 HA GLN 39 HA GLN 39 -0.956 10.219 -1.635 311 HB2 GLN 39 HB2 GLN 39 -3.098 10.631 -2.857 312 HB3 GLN 39 HB1 GLN 39 -3.951 9.713 -1.616 313 HG2 GLN 39 HG2 GLN 39 -3.161 11.298 0.104 314 HG3 GLN 39 HG1 GLN 39 -2.297 12.212 -1.132 315 HE21 GLN 39 HE21 GLN 39 -3.523 14.138 -1.221 316 HE22 GLN 39 HE22 GLN 39 -5.188 14.186 -1.547 317 H TYR 40 HN TYR 40 -2.737 7.362 -0.632 318 HA TYR 40 HA TYR 40 -2.556 8.106 2.225 319 HB2 TYR 40 HB2 TYR 40 -3.808 5.848 0.659 320 HB3 TYR 40 HB1 TYR 40 -3.579 5.689 2.400 321 HD1 TYR 40 HD2 TYR 40 -4.910 8.131 -0.130 322 HD2 TYR 40 HD1 TYR 40 -5.244 6.503 3.833 323 HE1 TYR 40 HE2 TYR 40 -6.943 9.495 0.260 324 HE2 TYR 40 HE1 TYR 40 -7.275 7.870 4.222 325 HH TYR 40 HH TYR 40 -8.864 9.131 3.203 326 H VAL 41 HN VAL 41 -0.441 6.945 0.009 327 HA VAL 41 HA VAL 41 0.992 5.201 1.992 328 HB VAL 41 HB VAL 41 1.049 5.190 -1.041 329 HG11 VAL 41 HG11 VAL 41 2.548 3.136 -0.600 330 HG12 VAL 41 HG12 VAL 41 2.769 3.808 1.015 331 HG13 VAL 41 HG13 VAL 41 3.277 4.730 -0.400 332 HG21 VAL 41 HG21 VAL 41 0.351 2.908 0.812 333 HG22 VAL 41 HG22 VAL 41 -0.030 3.088 -0.900 334 HG23 VAL 41 HG23 VAL 41 -0.873 4.071 0.296 335 H ARG 42 HN ARG 42 1.111 8.021 -0.052 336 HA ARG 42 HA ARG 42 3.897 8.441 -0.266 337 HB2 ARG 42 HB2 ARG 42 2.158 9.844 -1.381 338 HB3 ARG 42 HB1 ARG 42 1.756 10.548 0.185 339 HG2 ARG 42 HG2 ARG 42 4.009 11.452 0.409 340 HG3 ARG 42 HG1 ARG 42 4.509 10.656 -1.083 341 HD2 ARG 42 HD2 ARG 42 4.014 13.004 -1.549 342 HD3 ARG 42 HD1 ARG 42 2.800 11.987 -2.324 343 HE ARG 42 HE ARG 42 1.908 12.761 0.299 344 HH11 ARG 42 HH21 ARG 42 2.450 13.910 -2.916 345 HH12 ARG 42 HH22 ARG 42 1.224 15.131 -2.824 346 HH21 ARG 42 HH11 ARG 42 0.306 14.352 0.426 347 HH22 ARG 42 HH12 ARG 42 0.012 15.381 -0.936 348 H LEU 43 HN LEU 43 1.862 10.231 2.065 349 HA LEU 43 HA LEU 43 4.061 10.829 3.790 350 HB2 LEU 43 HB2 LEU 43 1.967 12.142 3.788 351 HB3 LEU 43 HB1 LEU 43 1.087 10.746 4.407 352 HG LEU 43 HG LEU 43 2.437 10.775 6.460 353 HD11 LEU 43 HD11 LEU 43 3.930 12.916 4.962 354 HD12 LEU 43 HD12 LEU 43 4.560 11.583 5.930 355 HD13 LEU 43 HD13 LEU 43 3.860 12.992 6.723 356 HD21 LEU 43 HD21 LEU 43 0.363 12.224 6.177 357 HD22 LEU 43 HD22 LEU 43 1.453 13.582 5.890 358 HD23 LEU 43 HD23 LEU 43 1.479 12.743 7.442 359 H GLY 44 HN GLY 44 1.565 8.321 3.872 360 HA2 GLY 44 HA2 GLY 44 1.992 7.132 6.327 361 HA3 GLY 44 HA1 GLY 44 1.602 6.214 4.880 362 HA PRO 45 HA PRO 45 6.501 6.282 5.966 363 HB2 PRO 45 HB2 PRO 45 5.774 4.688 8.415 364 HB3 PRO 45 HB1 PRO 45 7.151 5.780 8.152 365 HG2 PRO 45 HG2 PRO 45 5.059 6.557 9.593 366 HG3 PRO 45 HG1 PRO 45 5.881 7.682 8.495 367 HD2 PRO 45 HD2 PRO 45 3.231 6.333 8.160 368 HD3 PRO 45 HD1 PRO 45 3.769 7.918 7.574 369 H LEU 46 HN LEU 46 3.800 4.280 5.691 370 HA LEU 46 HA LEU 46 4.928 1.657 5.629 371 HB2 LEU 46 HB2 LEU 46 2.591 2.847 4.104 372 HB3 LEU 46 HB1 LEU 46 2.934 1.122 4.212 373 HG LEU 46 HG LEU 46 2.437 2.920 6.605 374 HD11 LEU 46 HD11 LEU 46 0.210 2.055 6.683 375 HD12 LEU 46 HD12 LEU 46 0.557 0.859 5.433 376 HD13 LEU 46 HD13 LEU 46 0.469 2.571 5.017 377 HD21 LEU 46 HD21 LEU 46 2.996 -0.022 6.240 378 HD22 LEU 46 HD22 LEU 46 1.978 0.502 7.583 379 HD23 LEU 46 HD23 LEU 46 3.631 1.092 7.451 380 H SER 47 HN SER 47 4.529 4.145 3.135 381 HA SER 47 HA SER 47 5.388 4.319 0.968 382 HB2 SER 47 HB2 SER 47 7.450 4.425 2.467 383 HB3 SER 47 HB1 SER 47 7.713 2.733 2.058 384 HG SER 47 HG SER 47 8.299 3.300 0.108 385 H ASN 48 HN ASN 48 7.284 2.428 -0.214 386 HA ASN 48 HA ASN 48 5.330 0.548 -1.321 387 HB2 ASN 48 HB2 ASN 48 7.167 1.845 -2.592 388 HB3 ASN 48 HB1 ASN 48 8.290 0.654 -1.940 389 HD21 ASN 48 HD21 ASN 48 8.085 -1.573 -2.687 390 HD22 ASN 48 HD22 ASN 48 7.163 -1.965 -4.058 391 H LYS 49 HN LYS 49 5.948 0.091 1.453 392 HA LYS 49 HA LYS 49 7.816 -2.168 1.571 393 HB2 LYS 49 HB2 LYS 49 5.933 -0.942 3.601 394 HB3 LYS 49 HB1 LYS 49 6.990 -2.313 3.945 395 HG2 LYS 49 HG2 LYS 49 8.963 -0.997 3.426 396 HG3 LYS 49 HG1 LYS 49 7.969 0.356 2.894 397 HD2 LYS 49 HD2 LYS 49 8.599 0.948 5.094 398 HD3 LYS 49 HD1 LYS 49 6.965 0.316 5.278 399 HE2 LYS 49 HE2 LYS 49 7.809 -1.821 6.043 400 HE3 LYS 49 HE1 LYS 49 9.467 -1.355 5.667 401 HZ1 LYS 49 HZ1 LYS 49 9.547 -0.684 7.774 402 HZ2 LYS 49 HZ2 LYS 49 7.858 -0.720 7.959 403 HZ3 LYS 49 HZ3 LYS 49 8.612 0.642 7.278 404 H ILE 50 HN ILE 50 7.196 -4.336 2.042 405 HA ILE 50 HA ILE 50 4.631 -5.112 0.832 406 HB ILE 50 HB ILE 50 6.949 -6.708 1.966 407 HG12 ILE 50 HG12 ILE 50 7.274 -7.284 -0.447 408 HG13 ILE 50 HG11 ILE 50 5.967 -6.176 -0.859 409 HG21 ILE 50 HG21 ILE 50 5.741 -8.614 0.719 410 HG22 ILE 50 HG22 ILE 50 4.318 -7.574 0.759 411 HG23 ILE 50 HG23 ILE 50 5.059 -8.113 2.266 412 HD11 ILE 50 HD11 ILE 50 7.227 -4.290 -0.369 413 HD12 ILE 50 HD12 ILE 50 8.499 -5.376 -0.919 414 HD13 ILE 50 HD13 ILE 50 8.237 -5.132 0.808 415 H LEU 51 HN LEU 51 2.831 -5.283 2.042 416 HA LEU 51 HA LEU 51 3.099 -5.860 4.978 417 HB2 LEU 51 HB2 LEU 51 0.840 -4.439 3.539 418 HB3 LEU 51 HB1 LEU 51 1.060 -4.592 5.284 419 HG LEU 51 HG LEU 51 2.957 -3.164 3.395 420 HD11 LEU 51 HD11 LEU 51 0.720 -2.057 3.846 421 HD12 LEU 51 HD12 LEU 51 2.131 -1.119 4.333 422 HD13 LEU 51 HD13 LEU 51 1.185 -1.983 5.546 423 HD21 LEU 51 HD21 LEU 51 3.011 -3.747 6.355 424 HD22 LEU 51 HD22 LEU 51 3.822 -2.319 5.716 425 HD23 LEU 51 HD23 LEU 51 4.306 -3.922 5.173 426 H GLN 52 HN GLN 52 1.847 -7.477 5.854 427 HA GLN 52 HA GLN 52 0.947 -9.549 4.044 428 HB2 GLN 52 HB2 GLN 52 0.791 -9.132 7.035 429 HB3 GLN 52 HB1 GLN 52 0.069 -10.541 6.256 430 HG2 GLN 52 HG2 GLN 52 2.311 -11.132 6.979 431 HG3 GLN 52 HG1 GLN 52 2.302 -11.038 5.219 432 HE21 GLN 52 HE21 GLN 52 4.446 -10.316 4.826 433 HE22 GLN 52 HE22 GLN 52 5.078 -8.868 5.446 434 H THR 53 HN THR 53 -0.902 -9.294 2.891 435 HA THR 53 HA THR 53 -3.193 -7.822 4.122 436 HB THR 53 HB THR 53 -2.638 -8.621 1.247 437 HG1 THR 53 HG1 THR 53 -2.559 -6.155 2.638 438 HG21 THR 53 HG21 THR 53 -4.567 -6.976 0.859 439 HG22 THR 53 HG22 THR 53 -4.926 -7.170 2.573 440 HG23 THR 53 HG23 THR 53 -5.000 -8.564 1.495 441 H ASN 54 HN ASN 54 -4.700 -9.078 5.044 442 HA ASN 54 HA ASN 54 -5.079 -11.874 4.059 443 HB2 ASN 54 HB2 ASN 54 -4.581 -11.409 6.516 444 HB3 ASN 54 HB1 ASN 54 -6.171 -10.648 6.600 445 HD21 ASN 54 HD21 ASN 54 -7.180 -12.273 7.918 446 HD22 ASN 54 HD22 ASN 54 -7.432 -13.863 7.378 447 H THR 55 HN THR 55 -6.458 -11.608 2.342 448 HA THR 55 HA THR 55 -8.821 -9.869 2.580 449 HB THR 55 HB THR 55 -8.018 -11.731 0.329 450 HG1 THR 55 HG1 THR 55 -6.429 -10.278 0.406 451 HG21 THR 55 HG21 THR 55 -10.316 -11.137 0.102 452 HG22 THR 55 HG22 THR 55 -9.436 -10.038 -0.962 453 HG23 THR 55 HG23 THR 55 -10.010 -9.476 0.607 454 H TYR 56 HN TYR 56 -10.911 -10.591 2.786 455 HA TYR 56 HA TYR 56 -11.282 -13.506 3.387 456 HB2 TYR 56 HB2 TYR 56 -12.854 -11.058 4.252 457 HB3 TYR 56 HB1 TYR 56 -13.315 -12.720 4.615 458 HD1 TYR 56 HD1 TYR 56 -10.817 -10.073 5.228 459 HD2 TYR 56 HD2 TYR 56 -12.094 -14.048 6.231 460 HE1 TYR 56 HE1 TYR 56 -9.280 -10.075 7.173 461 HE2 TYR 56 HE2 TYR 56 -10.559 -14.051 8.178 462 HH TYR 56 HH TYR 56 -9.459 -11.760 9.650 463 H TYR 57 HN TYR 57 -12.647 -14.649 2.068 464 HA TYR 57 HA TYR 57 -14.306 -13.085 0.093 465 HB2 TYR 57 HB2 TYR 57 -12.855 -15.728 -0.273 466 HB3 TYR 57 HB1 TYR 57 -13.948 -15.005 -1.454 467 HD1 TYR 57 HD2 TYR 57 -13.428 -12.446 -2.013 468 HD2 TYR 57 HD1 TYR 57 -10.566 -15.260 -0.479 469 HE1 TYR 57 HE2 TYR 57 -11.581 -11.049 -2.895 470 HE2 TYR 57 HE1 TYR 57 -8.719 -13.861 -1.357 471 HH TYR 57 HH TYR 57 -8.178 -12.052 -2.522 472 H SER 58 HN SER 58 -16.415 -13.556 0.063 473 HA SER 58 HA SER 58 -17.384 -16.120 1.249 474 HB2 SER 58 HB2 SER 58 -18.032 -14.890 3.071 475 HB3 SER 58 HB1 SER 58 -17.853 -13.366 2.208 476 HG SER 58 HG SER 58 -20.030 -15.156 2.276 477 H ASP 59 HN ASP 59 -19.642 -16.568 0.580 478 HA ASP 59 HA ASP 59 -20.019 -16.277 -2.226 479 HB2 ASP 59 HB2 ASP 59 -21.025 -18.085 -0.884 480 HB3 ASP 59 HB1 ASP 59 -22.041 -16.908 -0.053 481 H THR 60 HN THR 60 -21.667 -14.652 0.504 482 HA THR 60 HA THR 60 -23.295 -12.958 -1.137 483 HB THR 60 HB THR 60 -23.599 -11.646 0.958 484 HG1 THR 60 HG1 THR 60 -21.515 -11.825 1.781 485 HG21 THR 60 HG21 THR 60 -23.677 -14.665 1.154 486 HG22 THR 60 HG22 THR 60 -24.995 -13.584 0.700 487 HG23 THR 60 HG23 THR 60 -24.401 -13.604 2.358 488 H LEU 61 HN LEU 61 -20.057 -12.597 0.228 489 HA LEU 61 HA LEU 61 -19.716 -9.825 -0.388 490 HB2 LEU 61 HB2 LEU 61 -17.869 -12.146 0.136 491 HB3 LEU 61 HB1 LEU 61 -17.189 -10.624 -0.432 492 HG LEU 61 HG LEU 61 -17.277 -10.909 2.099 493 HD11 LEU 61 HD11 LEU 61 -17.574 -8.642 2.439 494 HD12 LEU 61 HD12 LEU 61 -18.981 -8.541 1.387 495 HD13 LEU 61 HD13 LEU 61 -17.368 -8.656 0.691 496 HD21 LEU 61 HD21 LEU 61 -19.650 -11.957 1.930 497 HD22 LEU 61 HD22 LEU 61 -20.223 -10.293 1.835 498 HD23 LEU 61 HD23 LEU 61 -19.332 -10.840 3.255 499 H HIS 62 HN HIS 62 -19.099 -12.783 -2.238 500 HA HIS 62 HA HIS 62 -17.831 -11.571 -4.481 501 HB2 HIS 62 HB2 HIS 62 -19.343 -14.103 -3.935 502 HB3 HIS 62 HB1 HIS 62 -19.160 -13.653 -5.630 503 HD1 HIS 62 HD1 HIS 62 -16.463 -12.766 -3.179 504 HD2 HIS 62 HD2 HIS 62 -17.218 -15.712 -6.032 505 HE1 HIS 62 HE1 HIS 62 -14.276 -13.993 -3.542 506 H LYS 63 HN LYS 63 -21.247 -12.100 -3.676 507 HA LYS 63 HA LYS 63 -22.341 -11.111 -6.124 508 HB2 LYS 63 HB2 LYS 63 -23.451 -11.262 -3.311 509 HB3 LYS 63 HB1 LYS 63 -24.410 -10.747 -4.699 510 HG2 LYS 63 HG2 LYS 63 -23.944 -12.890 -5.827 511 HG3 LYS 63 HG1 LYS 63 -22.977 -13.409 -4.445 512 HD2 LYS 63 HD2 LYS 63 -24.919 -13.318 -2.987 513 HD3 LYS 63 HD1 LYS 63 -25.906 -12.645 -4.284 514 HE2 LYS 63 HE2 LYS 63 -26.338 -15.046 -4.083 515 HE3 LYS 63 HE1 LYS 63 -25.525 -14.714 -5.612 516 HZ1 LYS 63 HZ1 LYS 63 -24.560 -16.614 -4.450 517 HZ2 LYS 63 HZ2 LYS 63 -24.183 -15.622 -3.123 518 HZ3 LYS 63 HZ3 LYS 63 -23.435 -15.356 -4.625 519 H SER 64 HN SER 64 -21.535 -9.476 -3.061 520 HA SER 64 HA SER 64 -22.500 -6.900 -4.046 521 HB2 SER 64 HB2 SER 64 -21.613 -6.024 -1.932 522 HB3 SER 64 HB1 SER 64 -22.559 -7.482 -1.638 523 HG SER 64 HG SER 64 -20.338 -7.236 -0.661 524 H ASN 65 HN ASN 65 -19.795 -8.737 -4.671 525 HA ASN 65 HA ASN 65 -17.752 -8.274 -5.700 526 HB2 ASN 65 HB2 ASN 65 -19.368 -6.920 -7.156 527 HB3 ASN 65 HB1 ASN 65 -18.858 -5.511 -6.229 528 HD21 ASN 65 HD21 ASN 65 -16.758 -8.254 -7.183 529 HD22 ASN 65 HD22 ASN 65 -15.736 -7.330 -8.173 530 H ILE 66 HN ILE 66 -17.973 -7.838 -2.877 531 HA ILE 66 HA ILE 66 -16.047 -5.564 -2.481 532 HB ILE 66 HB ILE 66 -18.042 -6.759 -0.534 533 HG12 ILE 66 HG12 ILE 66 -17.828 -3.950 -1.658 534 HG13 ILE 66 HG11 ILE 66 -18.900 -5.184 -2.320 535 HG21 ILE 66 HG21 ILE 66 -15.760 -4.809 -0.214 536 HG22 ILE 66 HG22 ILE 66 -16.186 -6.183 0.800 537 HG23 ILE 66 HG23 ILE 66 -17.164 -4.719 0.849 538 HD11 ILE 66 HD11 ILE 66 -19.890 -5.421 0.005 539 HD12 ILE 66 HD12 ILE 66 -20.211 -3.879 -0.790 540 HD13 ILE 66 HD13 ILE 66 -18.970 -3.987 0.458 541 H TYR 67 HN TYR 67 -14.094 -6.079 -1.664 542 HA TYR 67 HA TYR 67 -13.655 -8.894 -0.686 543 HB2 TYR 67 HB2 TYR 67 -11.579 -7.134 -1.997 544 HB3 TYR 67 HB1 TYR 67 -11.513 -8.872 -1.708 545 HD1 TYR 67 HD1 TYR 67 -13.757 -10.128 -2.686 546 HD2 TYR 67 HD2 TYR 67 -11.972 -6.533 -4.223 547 HE1 TYR 67 HE1 TYR 67 -14.795 -10.555 -4.898 548 HE2 TYR 67 HE2 TYR 67 -13.010 -6.961 -6.430 549 HH TYR 67 HH TYR 67 -15.442 -9.327 -6.894 550 HA PRO 68 HA PRO 68 -12.722 -6.021 2.835 551 HB2 PRO 68 HB2 PRO 68 -13.216 -8.512 4.390 552 HB3 PRO 68 HB1 PRO 68 -13.923 -6.897 4.601 553 HG2 PRO 68 HG2 PRO 68 -15.341 -8.935 3.595 554 HG3 PRO 68 HG1 PRO 68 -15.574 -7.267 3.039 555 HD2 PRO 68 HD2 PRO 68 -14.105 -9.514 1.691 556 HD3 PRO 68 HD1 PRO 68 -15.125 -8.247 0.979 557 H PHE 69 HN PHE 69 -10.736 -5.865 3.985 558 HA PHE 69 HA PHE 69 -9.034 -8.243 4.208 559 HB2 PHE 69 HB2 PHE 69 -7.224 -7.432 2.838 560 HB3 PHE 69 HB1 PHE 69 -8.685 -7.420 1.856 561 HD1 PHE 69 HD2 PHE 69 -9.847 -5.280 1.347 562 HD2 PHE 69 HD1 PHE 69 -6.124 -5.384 3.490 563 HE1 PHE 69 HE2 PHE 69 -9.529 -2.858 0.919 564 HE2 PHE 69 HE1 PHE 69 -5.806 -2.965 3.057 565 HZ PHE 69 HZ PHE 69 -7.508 -1.701 1.772 566 H ILE 70 HN ILE 70 -7.121 -7.869 5.455 567 HA ILE 70 HA ILE 70 -7.028 -5.265 6.925 568 HB ILE 70 HB ILE 70 -6.932 -8.024 8.185 569 HG12 ILE 70 HG12 ILE 70 -8.877 -5.739 8.625 570 HG13 ILE 70 HG11 ILE 70 -9.200 -7.089 7.536 571 HG21 ILE 70 HG21 ILE 70 -6.479 -5.232 9.267 572 HG22 ILE 70 HG22 ILE 70 -5.368 -6.599 9.322 573 HG23 ILE 70 HG23 ILE 70 -6.831 -6.613 10.305 574 HD11 ILE 70 HD11 ILE 70 -8.911 -8.669 9.421 575 HD12 ILE 70 HD12 ILE 70 -10.202 -7.510 9.740 576 HD13 ILE 70 HD13 ILE 70 -8.628 -7.307 10.505 577 H LEU 71 HN LEU 71 -4.957 -4.601 7.426 578 HA LEU 71 HA LEU 71 -2.753 -6.192 6.194 579 HB2 LEU 71 HB2 LEU 71 -2.749 -3.314 7.152 580 HB3 LEU 71 HB1 LEU 71 -1.530 -4.101 6.148 581 HG LEU 71 HG LEU 71 -4.424 -3.608 5.388 582 HD11 LEU 71 HD11 LEU 71 -3.000 -1.593 5.346 583 HD12 LEU 71 HD12 LEU 71 -3.456 -2.084 3.716 584 HD13 LEU 71 HD13 LEU 71 -1.838 -2.436 4.324 585 HD21 LEU 71 HD21 LEU 71 -3.437 -4.373 3.090 586 HD22 LEU 71 HD22 LEU 71 -3.870 -5.603 4.271 587 HD23 LEU 71 HD23 LEU 71 -2.181 -5.136 4.066 588 H TYR 72 HN TYR 72 -1.084 -6.962 7.385 589 HA TYR 72 HA TYR 72 -0.950 -6.225 10.285 590 HB2 TYR 72 HB2 TYR 72 -0.759 -8.994 9.063 591 HB3 TYR 72 HB1 TYR 72 -0.374 -8.615 10.742 592 HD1 TYR 72 HD1 TYR 72 -2.188 -7.482 12.164 593 HD2 TYR 72 HD2 TYR 72 -2.998 -9.412 8.415 594 HE1 TYR 72 HE1 TYR 72 -4.584 -7.651 12.772 595 HE2 TYR 72 HE2 TYR 72 -5.395 -9.584 9.022 596 HH TYR 72 HH TYR 72 -6.556 -8.576 12.221 597 H TYR 73 HN TYR 73 1.077 -5.819 11.008 598 HA TYR 73 HA TYR 73 3.448 -6.964 9.836 599 HB2 TYR 73 HB2 TYR 73 2.888 -5.261 8.100 600 HB3 TYR 73 HB1 TYR 73 3.006 -4.008 9.335 601 HD1 TYR 73 HD2 TYR 73 4.933 -6.804 7.778 602 HD2 TYR 73 HD1 TYR 73 5.101 -3.063 9.884 603 HE1 TYR 73 HE2 TYR 73 7.394 -6.750 7.487 604 HE2 TYR 73 HE1 TYR 73 7.564 -3.011 9.594 605 HH TYR 73 HH TYR 73 9.234 -5.452 7.648 606 H GLN 74 HN GLN 74 4.814 -7.106 11.529 607 HA GLN 74 HA GLN 74 5.707 -6.751 13.670 608 HB2 GLN 74 HB2 GLN 74 5.510 -3.899 12.663 609 HB3 GLN 74 HB1 GLN 74 6.482 -4.423 14.036 610 HG2 GLN 74 HG2 GLN 74 6.794 -5.486 11.215 611 HG3 GLN 74 HG1 GLN 74 7.808 -4.232 11.929 612 HE21 GLN 74 HE21 GLN 74 8.119 -7.324 11.169 613 HE22 GLN 74 HE22 GLN 74 8.984 -7.922 12.501 614 H LYS 75 HN LYS 75 4.003 -3.666 13.647 615 HA LYS 75 HA LYS 75 2.951 -4.100 16.284 616 HB2 LYS 75 HB2 LYS 75 2.314 -2.028 14.166 617 HB3 LYS 75 HB1 LYS 75 1.672 -1.979 15.810 618 HG2 LYS 75 HG2 LYS 75 3.979 -1.959 16.705 619 HG3 LYS 75 HG1 LYS 75 4.612 -1.984 15.059 620 HD2 LYS 75 HD2 LYS 75 3.491 0.160 14.587 621 HD3 LYS 75 HD1 LYS 75 2.846 0.188 16.228 622 HE2 LYS 75 HE2 LYS 75 5.146 0.200 17.133 623 HE3 LYS 75 HE1 LYS 75 5.790 0.186 15.491 624 HZ1 LYS 75 HZ1 LYS 75 5.667 2.424 16.507 625 HZ2 LYS 75 HZ2 LYS 75 3.975 2.284 16.547 626 HZ3 LYS 75 HZ3 LYS 75 4.795 2.292 15.059 627 H GLN 76 HN GLN 76 2.103 -6.293 14.976 628 HA GLN 76 HA GLN 76 0.247 -7.516 14.212 629 HB2 GLN 76 HB2 GLN 76 -0.882 -5.787 16.424 630 HB3 GLN 76 HB1 GLN 76 -1.721 -7.175 15.731 631 HG2 GLN 76 HG2 GLN 76 0.124 -8.647 16.388 632 HG3 GLN 76 HG1 GLN 76 1.012 -7.267 17.037 633 HE21 GLN 76 HE21 GLN 76 0.686 -8.950 19.012 634 HE22 GLN 76 HE22 GLN 76 -0.654 -8.614 19.999 635 H LEU 77 HN LEU 77 -2.291 -5.542 15.013 636 HA LEU 77 HA LEU 77 -3.177 -5.264 12.325 637 HB2 LEU 77 HB2 LEU 77 -4.690 -5.328 14.285 638 HB3 LEU 77 HB1 LEU 77 -4.082 -3.754 14.793 639 HG LEU 77 HG LEU 77 -4.869 -2.785 12.630 640 HD11 LEU 77 HD11 LEU 77 -6.649 -4.363 11.478 641 HD12 LEU 77 HD12 LEU 77 -5.673 -5.651 12.180 642 HD13 LEU 77 HD13 LEU 77 -4.947 -4.503 11.055 643 HD21 LEU 77 HD21 LEU 77 -6.291 -2.627 14.592 644 HD22 LEU 77 HD22 LEU 77 -6.928 -4.246 14.304 645 HD23 LEU 77 HD23 LEU 77 -7.297 -2.939 13.179 646 H ILE 78 HN ILE 78 -2.908 -3.681 10.859 647 HA ILE 78 HA ILE 78 -1.443 -1.194 11.685 648 HB ILE 78 HB ILE 78 -1.485 -2.597 8.997 649 HG12 ILE 78 HG12 ILE 78 -0.184 -3.868 10.623 650 HG13 ILE 78 HG11 ILE 78 0.904 -3.065 9.498 651 HG21 ILE 78 HG21 ILE 78 -1.236 -0.226 8.676 652 HG22 ILE 78 HG22 ILE 78 0.363 -0.950 8.499 653 HG23 ILE 78 HG23 ILE 78 -0.066 -0.117 9.992 654 HD11 ILE 78 HD11 ILE 78 0.901 -1.150 11.335 655 HD12 ILE 78 HD12 ILE 78 1.926 -2.571 11.529 656 HD13 ILE 78 HD13 ILE 78 0.395 -2.468 12.392 657 H ALA 79 HN ALA 79 -3.881 -2.510 9.415 658 HA ALA 79 HA ALA 79 -5.496 -0.090 9.791 659 HB1 ALA 79 HB1 ALA 79 -4.015 -0.668 7.237 660 HB2 ALA 79 HB2 ALA 79 -4.183 0.861 8.097 661 HB3 ALA 79 HB3 ALA 79 -5.548 0.198 7.198 662 H ILE 80 HN ILE 80 -7.607 -0.290 8.843 663 HA ILE 80 HA ILE 80 -8.358 -3.065 7.982 664 HB ILE 80 HB ILE 80 -9.856 -1.204 9.855 665 HG12 ILE 80 HG12 ILE 80 -8.766 -3.992 10.335 666 HG13 ILE 80 HG11 ILE 80 -7.899 -2.522 10.777 667 HG21 ILE 80 HG21 ILE 80 -11.512 -2.280 8.543 668 HG22 ILE 80 HG22 ILE 80 -11.386 -3.277 9.992 669 HG23 ILE 80 HG23 ILE 80 -10.609 -3.793 8.495 670 HD11 ILE 80 HD11 ILE 80 -10.738 -2.909 11.706 671 HD12 ILE 80 HD12 ILE 80 -9.453 -1.938 12.425 672 HD13 ILE 80 HD13 ILE 80 -9.415 -3.695 12.567 673 H GLY 81 HN GLY 81 -9.664 -3.116 6.162 674 HA2 GLY 81 HA2 GLY 81 -11.453 -1.000 5.438 675 HA3 GLY 81 HA1 GLY 81 -9.948 -0.812 4.539 676 H PHE 82 HN PHE 82 -12.285 -1.311 3.159 677 HA PHE 82 HA PHE 82 -11.776 -4.071 2.120 678 HB2 PHE 82 HB2 PHE 82 -14.182 -4.447 1.879 679 HB3 PHE 82 HB1 PHE 82 -13.800 -4.115 3.568 680 HD1 PHE 82 HD1 PHE 82 -15.203 -2.658 0.454 681 HD2 PHE 82 HD2 PHE 82 -14.606 -2.153 4.676 682 HE1 PHE 82 HE1 PHE 82 -16.800 -0.763 0.452 683 HE2 PHE 82 HE2 PHE 82 -16.198 -0.254 4.674 684 HZ PHE 82 HZ PHE 82 -17.297 0.442 2.562 685 H ILE 83 HN ILE 83 -12.242 -4.339 -0.111 686 HA ILE 83 HA ILE 83 -12.001 -1.828 -1.638 687 HB ILE 83 HB ILE 83 -12.020 -4.733 -2.516 688 HG12 ILE 83 HG12 ILE 83 -9.730 -2.755 -2.330 689 HG13 ILE 83 HG11 ILE 83 -10.098 -3.939 -1.078 690 HG21 ILE 83 HG21 ILE 83 -11.505 -2.155 -4.023 691 HG22 ILE 83 HG22 ILE 83 -12.751 -3.357 -4.359 692 HG23 ILE 83 HG23 ILE 83 -11.054 -3.747 -4.635 693 HD11 ILE 83 HD11 ILE 83 -8.338 -4.709 -2.687 694 HD12 ILE 83 HD12 ILE 83 -9.547 -4.646 -3.970 695 HD13 ILE 83 HD13 ILE 83 -9.746 -5.770 -2.627 696 H ASP 84 HN ASP 84 -13.717 -0.816 -2.481 697 HA ASP 84 HA ASP 84 -16.369 -2.133 -2.423 698 HB2 ASP 84 HB2 ASP 84 -15.904 0.221 -1.539 699 HB3 ASP 84 HB1 ASP 84 -15.740 0.714 -3.223 700 H GLU 85 HN GLU 85 -17.187 -3.033 -4.203 701 HA GLU 85 HA GLU 85 -17.509 -3.633 -6.432 702 HB2 GLU 85 HB2 GLU 85 -16.854 -0.701 -6.831 703 HB3 GLU 85 HB1 GLU 85 -17.548 -1.752 -8.062 704 HG2 GLU 85 HG2 GLU 85 -18.821 -1.157 -5.374 705 HG3 GLU 85 HG1 GLU 85 -19.279 -0.401 -6.897 706 H ASN 86 HN ASN 86 -15.354 -1.264 -7.692 707 HA ASN 86 HA ASN 86 -13.321 -3.402 -8.251 708 HB2 ASN 86 HB2 ASN 86 -14.205 -0.985 -9.852 709 HB3 ASN 86 HB1 ASN 86 -12.756 -1.915 -10.235 710 HD21 ASN 86 HD21 ASN 86 -15.011 -1.759 -12.035 711 HD22 ASN 86 HD22 ASN 86 -15.696 -3.308 -12.152 712 H HIS 87 HN HIS 87 -13.879 -0.195 -6.973 713 HA HIS 87 HA HIS 87 -11.141 -0.149 -5.904 714 HB2 HIS 87 HB2 HIS 87 -12.111 2.010 -7.799 715 HB3 HIS 87 HB1 HIS 87 -10.626 2.079 -6.854 716 HD1 HIS 87 HD1 HIS 87 -8.850 0.106 -7.360 717 HD2 HIS 87 HD2 HIS 87 -11.843 0.654 -10.207 718 HE1 HIS 87 HE1 HIS 87 -8.066 -1.075 -9.458 719 H ASP 88 HN ASP 88 -11.227 2.686 -5.327 720 HA ASP 88 HA ASP 88 -12.031 4.148 -3.703 721 HB2 ASP 88 HB2 ASP 88 -14.131 3.923 -5.164 722 HB3 ASP 88 HB1 ASP 88 -14.710 2.768 -3.965 723 H MET 89 HN MET 89 -10.577 2.457 -2.521 724 HA MET 89 HA MET 89 -11.846 0.544 -0.786 725 HB2 MET 89 HB2 MET 89 -9.142 1.900 -0.531 726 HB3 MET 89 HB1 MET 89 -9.648 0.434 0.311 727 HG2 MET 89 HG2 MET 89 -8.478 -0.427 -1.531 728 HG3 MET 89 HG1 MET 89 -10.147 -0.476 -2.095 729 HE1 MET 89 HE1 MET 89 -8.398 -0.915 -4.027 730 HE2 MET 89 HE2 MET 89 -6.935 0.024 -3.740 731 HE3 MET 89 HE3 MET 89 -7.922 0.357 -5.160 732 H ASP 90 HN ASP 90 -12.858 0.878 1.100 733 HA ASP 90 HA ASP 90 -12.808 3.614 2.293 734 HB2 ASP 90 HB2 ASP 90 -14.988 2.442 1.639 735 HB3 ASP 90 HB1 ASP 90 -14.683 1.345 2.986 736 H PHE 91 HN PHE 91 -11.470 3.871 3.980 737 HA PHE 91 HA PHE 91 -10.563 1.502 5.523 738 HB2 PHE 91 HB2 PHE 91 -9.652 4.392 5.643 739 HB3 PHE 91 HB1 PHE 91 -8.866 3.014 6.417 740 HD1 PHE 91 HD1 PHE 91 -8.276 1.001 4.829 741 HD2 PHE 91 HD2 PHE 91 -8.945 5.028 3.492 742 HE1 PHE 91 HE1 PHE 91 -7.041 0.512 2.738 743 HE2 PHE 91 HE2 PHE 91 -7.705 4.540 1.401 744 HZ PHE 91 HZ PHE 91 -6.752 2.282 1.023 745 H LEU 92 HN LEU 92 -11.451 1.031 7.444 746 HA LEU 92 HA LEU 92 -13.254 3.004 8.747 747 HB2 LEU 92 HB2 LEU 92 -12.739 0.084 9.400 748 HB3 LEU 92 HB1 LEU 92 -14.046 1.086 10.031 749 HG LEU 92 HG LEU 92 -13.630 0.374 7.112 750 HD11 LEU 92 HD11 LEU 92 -14.373 -1.551 8.424 751 HD12 LEU 92 HD12 LEU 92 -15.701 -0.964 7.422 752 HD13 LEU 92 HD13 LEU 92 -15.664 -0.589 9.145 753 HD21 LEU 92 HD21 LEU 92 -16.086 1.319 7.089 754 HD22 LEU 92 HD22 LEU 92 -14.733 2.444 7.060 755 HD23 LEU 92 HD23 LEU 92 -15.594 2.142 8.570 756 H TYR 93 HN TYR 93 -10.115 1.620 9.033 757 HA TYR 93 HA TYR 93 -9.550 3.289 11.355 758 HB2 TYR 93 HB2 TYR 93 -10.515 1.311 12.467 759 HB3 TYR 93 HB1 TYR 93 -9.376 0.270 11.613 760 HD1 TYR 93 HD2 TYR 93 -9.561 3.168 13.963 761 HD2 TYR 93 HD1 TYR 93 -7.194 -0.091 12.466 762 HE1 TYR 93 HE2 TYR 93 -7.859 3.598 15.714 763 HE2 TYR 93 HE1 TYR 93 -5.492 0.342 14.218 764 HH TYR 93 HH TYR 93 -5.782 3.111 16.417 765 H LEU 94 HN LEU 94 -7.738 4.195 10.520 766 HA LEU 94 HA LEU 94 -5.691 2.398 9.253 767 HB2 LEU 94 HB2 LEU 94 -6.670 4.311 7.869 768 HB3 LEU 94 HB1 LEU 94 -5.880 5.412 9.000 769 HG LEU 94 HG LEU 94 -3.739 3.930 8.483 770 HD11 LEU 94 HD11 LEU 94 -3.714 2.676 6.560 771 HD12 LEU 94 HD12 LEU 94 -4.923 3.671 5.749 772 HD13 LEU 94 HD13 LEU 94 -5.419 2.484 6.951 773 HD21 LEU 94 HD21 LEU 94 -3.691 6.236 7.951 774 HD22 LEU 94 HD22 LEU 94 -4.946 6.067 6.722 775 HD23 LEU 94 HD23 LEU 94 -3.329 5.427 6.426 776 H HIS 95 HN HIS 95 -3.899 2.076 10.426 777 HA HIS 95 HA HIS 95 -3.056 4.154 12.413 778 HB2 HIS 95 HB2 HIS 95 -4.192 2.276 13.567 779 HB3 HIS 95 HB1 HIS 95 -3.054 1.148 12.831 780 HD1 HIS 95 HD1 HIS 95 -0.648 1.105 13.740 781 HD2 HIS 95 HD2 HIS 95 -3.071 3.927 15.622 782 HE1 HIS 95 HE1 HIS 95 0.621 1.885 15.789 783 H ASN 96 HN ASN 96 -1.283 4.919 11.371 784 HA ASN 96 HA ASN 96 0.491 3.217 9.822 785 HB2 ASN 96 HB2 ASN 96 0.621 6.102 10.711 786 HB3 ASN 96 HB1 ASN 96 1.907 5.339 9.781 787 HD21 ASN 96 HD21 ASN 96 0.456 7.499 8.667 788 HD22 ASN 96 HD22 ASN 96 -0.501 6.922 7.392 789 H THR 97 HN THR 97 2.987 3.716 10.362 790 HA THR 97 HA THR 97 3.634 2.180 12.661 791 HB THR 97 HB THR 97 5.967 2.925 12.205 792 HG1 THR 97 HG1 THR 97 4.603 4.644 10.413 793 HG21 THR 97 HG21 THR 97 4.194 2.122 9.894 794 HG22 THR 97 HG22 THR 97 5.234 1.092 10.880 795 HG23 THR 97 HG23 THR 97 5.947 2.229 9.734 796 H VAL 98 HN VAL 98 3.304 5.684 12.236 797 HA VAL 98 HA VAL 98 3.067 6.088 15.073 798 HB VAL 98 HB VAL 98 5.530 5.773 14.921 799 HG11 VAL 98 HG11 VAL 98 5.626 8.329 13.315 800 HG12 VAL 98 HG12 VAL 98 5.573 6.751 12.527 801 HG13 VAL 98 HG13 VAL 98 6.913 7.158 13.597 802 HG21 VAL 98 HG21 VAL 98 5.259 8.712 15.436 803 HG22 VAL 98 HG22 VAL 98 5.961 7.454 16.447 804 HG23 VAL 98 HG23 VAL 98 4.214 7.649 16.376 805 H MET 99 HN MET 99 1.532 6.758 12.783 806 HA MET 99 HA MET 99 1.006 9.523 13.292 807 HB2 MET 99 HB2 MET 99 1.581 10.343 10.963 808 HB3 MET 99 HB1 MET 99 2.935 10.092 12.061 809 HG2 MET 99 HG2 MET 99 3.101 7.725 11.000 810 HG3 MET 99 HG1 MET 99 2.074 8.383 9.725 811 HE1 MET 99 HE1 MET 99 3.316 11.612 10.023 812 HE2 MET 99 HE2 MET 99 2.425 10.687 8.815 813 HE3 MET 99 HE3 MET 99 3.989 11.385 8.404 814 HA PRO 100 HA PRO 100 -2.270 6.852 11.277 815 HB2 PRO 100 HB2 PRO 100 -4.319 7.695 12.937 816 HB3 PRO 100 HB1 PRO 100 -3.267 6.309 13.281 817 HG2 PRO 100 HG2 PRO 100 -3.109 9.103 14.316 818 HG3 PRO 100 HG1 PRO 100 -2.864 7.569 15.170 819 HD2 PRO 100 HD2 PRO 100 -0.795 9.093 14.370 820 HD3 PRO 100 HD1 PRO 100 -0.682 7.321 14.381 821 H LEU 101 HN LEU 101 -3.682 7.508 9.694 822 HA LEU 101 HA LEU 101 -4.026 10.458 9.309 823 HB2 LEU 101 HB2 LEU 101 -4.490 8.295 7.240 824 HB3 LEU 101 HB1 LEU 101 -4.221 10.017 6.980 825 HG LEU 101 HG LEU 101 -2.173 8.096 8.119 826 HD11 LEU 101 HD11 LEU 101 -2.588 7.657 5.760 827 HD12 LEU 101 HD12 LEU 101 -1.031 8.464 5.944 828 HD13 LEU 101 HD13 LEU 101 -2.436 9.373 5.386 829 HD21 LEU 101 HD21 LEU 101 -1.725 10.271 8.988 830 HD22 LEU 101 HD22 LEU 101 -2.146 11.049 7.462 831 HD23 LEU 101 HD23 LEU 101 -0.663 10.105 7.591 832 H LEU 102 HN LEU 102 -5.763 7.363 8.829 833 HA LEU 102 HA LEU 102 -8.330 8.851 9.278 834 HB2 LEU 102 HB2 LEU 102 -7.743 7.568 7.019 835 HB3 LEU 102 HB1 LEU 102 -8.207 6.145 7.949 836 HG LEU 102 HG LEU 102 -10.168 6.975 6.782 837 HD11 LEU 102 HD11 LEU 102 -11.675 7.110 8.607 838 HD12 LEU 102 HD12 LEU 102 -10.477 7.886 9.646 839 HD13 LEU 102 HD13 LEU 102 -10.304 6.184 9.221 840 HD21 LEU 102 HD21 LEU 102 -10.737 9.183 6.569 841 HD22 LEU 102 HD22 LEU 102 -9.053 9.480 6.988 842 HD23 LEU 102 HD23 LEU 102 -10.301 9.576 8.230 843 H ASP 103 HN ASP 103 -9.086 8.494 11.241 844 HA ASP 103 HA ASP 103 -9.337 5.748 12.264 845 HB2 ASP 103 HB2 ASP 103 -7.657 7.883 13.591 846 HB3 ASP 103 HB1 ASP 103 -8.443 6.632 14.552 847 H GLN 104 HN GLN 104 -11.483 6.817 11.481 848 HA GLN 104 HA GLN 104 -12.665 8.554 13.595 849 HB2 GLN 104 HB2 GLN 104 -13.589 7.798 10.813 850 HB3 GLN 104 HB1 GLN 104 -14.574 8.719 11.952 851 HG2 GLN 104 HG2 GLN 104 -12.807 10.427 12.112 852 HG3 GLN 104 HG1 GLN 104 -11.819 9.516 10.972 853 HE21 GLN 104 HE21 GLN 104 -11.888 10.686 9.040 854 HE22 GLN 104 HE22 GLN 104 -13.307 11.263 8.310 855 H ARG 105 HN ARG 105 -13.715 7.571 15.171 856 HA ARG 105 HA ARG 105 -14.413 4.795 15.175 857 HB2 ARG 105 HB2 ARG 105 -15.229 7.112 16.950 858 HB3 ARG 105 HB1 ARG 105 -15.677 5.436 17.274 859 HG2 ARG 105 HG2 ARG 105 -13.320 4.788 17.380 860 HG3 ARG 105 HG1 ARG 105 -12.828 6.426 16.951 861 HD2 ARG 105 HD2 ARG 105 -12.651 6.128 19.375 862 HD3 ARG 105 HD1 ARG 105 -13.937 7.274 19.005 863 HE ARG 105 HE ARG 105 -15.536 5.686 19.764 864 HH11 ARG 105 HH21 ARG 105 -12.349 4.371 19.498 865 HH12 ARG 105 HH22 ARG 105 -12.739 2.918 20.354 866 HH21 ARG 105 HH11 ARG 105 -16.053 3.794 20.879 867 HH22 ARG 105 HH12 ARG 105 -14.832 2.591 21.134 868 H TYR 106 HN TYR 106 -16.234 7.752 14.486 869 HA TYR 106 HA TYR 106 -18.856 6.726 14.519 870 HB2 TYR 106 HB2 TYR 106 -17.687 8.757 12.590 871 HB3 TYR 106 HB1 TYR 106 -19.402 8.534 12.937 872 HD1 TYR 106 HD1 TYR 106 -20.261 8.950 15.274 873 HD2 TYR 106 HD2 TYR 106 -16.283 10.016 14.051 874 HE1 TYR 106 HE1 TYR 106 -20.067 10.469 17.225 875 HE2 TYR 106 HE2 TYR 106 -16.089 11.534 16.000 876 HH TYR 106 HH TYR 106 -17.032 12.173 17.934 877 H LEU 107 HN LEU 107 -16.521 6.799 11.822 878 HA LEU 107 HA LEU 107 -18.216 5.429 9.957 879 HB2 LEU 107 HB2 LEU 107 -15.242 5.907 10.174 880 HB3 LEU 107 HB1 LEU 107 -15.878 4.864 8.904 881 HG LEU 107 HG LEU 107 -15.594 7.275 8.216 882 HD11 LEU 107 HD11 LEU 107 -18.547 6.793 8.107 883 HD12 LEU 107 HD12 LEU 107 -17.507 5.544 7.421 884 HD13 LEU 107 HD13 LEU 107 -17.416 7.194 6.817 885 HD21 LEU 107 HD21 LEU 107 -16.966 8.979 9.155 886 HD22 LEU 107 HD22 LEU 107 -16.324 8.093 10.538 887 HD23 LEU 107 HD23 LEU 107 -17.978 7.808 9.999 888 H LEU 108 HN LEU 108 -15.845 4.364 12.341 889 HA LEU 108 HA LEU 108 -15.737 1.622 11.606 890 HB2 LEU 108 HB2 LEU 108 -14.350 3.045 13.335 891 HB3 LEU 108 HB1 LEU 108 -15.581 2.528 14.484 892 HG LEU 108 HG LEU 108 -13.933 0.661 12.751 893 HD11 LEU 108 HD11 LEU 108 -13.728 1.102 15.737 894 HD12 LEU 108 HD12 LEU 108 -12.704 1.945 14.575 895 HD13 LEU 108 HD13 LEU 108 -12.631 0.188 14.701 896 HD21 LEU 108 HD21 LEU 108 -14.887 -0.938 14.666 897 HD22 LEU 108 HD22 LEU 108 -15.835 -0.586 13.225 898 HD23 LEU 108 HD23 LEU 108 -16.171 0.274 14.727 899 H THR 109 HN THR 109 -17.880 3.352 13.882 900 HA THR 109 HA THR 109 -19.486 0.875 14.251 901 HB THR 109 HB THR 109 -18.821 2.298 16.221 902 HG1 THR 109 HG1 THR 109 -21.561 2.543 16.151 903 HG21 THR 109 HG21 THR 109 -20.902 4.249 15.260 904 HG22 THR 109 HG22 THR 109 -19.207 4.449 14.824 905 HG23 THR 109 HG23 THR 109 -19.688 4.464 16.520 906 H GLY 110 HN GLY 110 -19.355 3.420 12.122 907 HA2 GLY 110 HA2 GLY 110 -20.899 4.376 10.642 908 HA3 GLY 110 HA1 GLY 110 -21.744 2.834 10.777 909 H GLY 111 HN GLY 111 -21.333 5.935 12.496 910 HA2 GLY 111 HA2 GLY 111 -23.601 5.596 14.213 911 HA3 GLY 111 HA1 GLY 111 -22.830 7.136 13.839 912 H GLN 112 HN GLN 112 -25.697 6.492 14.048 913 HA GLN 112 HA GLN 112 -26.750 6.601 11.312 914 HB2 GLN 112 HB2 GLN 112 -28.039 6.754 14.046 915 HB3 GLN 112 HB1 GLN 112 -28.951 6.876 12.540 916 HG2 GLN 112 HG2 GLN 112 -28.108 4.682 11.829 917 HG3 GLN 112 HG1 GLN 112 -27.158 4.556 13.309 918 HE21 GLN 112 HE21 GLN 112 -29.690 6.065 14.562 919 HE22 GLN 112 HE22 GLN 112 -30.733 4.768 14.895 920 H LEU 113 HN LEU 113 -28.437 8.379 10.866 921 HA LEU 113 HA LEU 113 -27.090 10.944 11.116 922 HB2 LEU 113 HB2 LEU 113 -28.235 10.403 9.041 923 HB3 LEU 113 HB1 LEU 113 -29.756 10.161 9.897 924 HG LEU 113 HG LEU 113 -29.832 12.523 10.518 925 HD11 LEU 113 HD11 LEU 113 -27.612 13.204 10.860 926 HD12 LEU 113 HD12 LEU 113 -28.013 14.005 9.343 927 HD13 LEU 113 HD13 LEU 113 -27.059 12.521 9.331 928 HD21 LEU 113 HD21 LEU 113 -30.762 11.917 8.338 929 HD22 LEU 113 HD22 LEU 113 -29.176 12.099 7.587 930 HD23 LEU 113 HD23 LEU 113 -30.008 13.508 8.242 931 H GLU 114 HN GLU 114 -27.493 12.508 12.590 932 HA GLU 114 HA GLU 114 -29.295 11.986 14.801 933 HB2 GLU 114 HB2 GLU 114 -27.155 13.207 15.078 934 HB3 GLU 114 HB1 GLU 114 -27.790 14.521 14.087 935 HG2 GLU 114 HG2 GLU 114 -29.590 14.912 15.699 936 HG3 GLU 114 HG1 GLU 114 -29.041 13.547 16.672 937 H HIS 115 HN HIS 115 -31.282 12.908 15.220 938 HA HIS 115 HA HIS 115 -32.726 14.026 12.941 939 HB2 HIS 115 HB2 HIS 115 -33.767 12.423 14.544 940 HB3 HIS 115 HB1 HIS 115 -33.645 13.650 15.805 941 HD1 HIS 115 HD1 HIS 115 -35.234 15.680 15.667 942 HD2 HIS 115 HD2 HIS 115 -35.716 12.982 12.527 943 HE1 HIS 115 HE1 HIS 115 -37.354 16.359 14.459 944 H HIS 116 HN HIS 116 -33.248 16.137 12.618 945 HA HIS 116 HA HIS 116 -31.864 18.183 14.113 946 HB2 HIS 116 HB2 HIS 116 -34.045 18.353 12.015 947 HB3 HIS 116 HB1 HIS 116 -33.137 19.736 12.627 948 HD1 HIS 116 HD1 HIS 116 -30.456 19.599 12.257 949 HD2 HIS 116 HD2 HIS 116 -32.744 16.951 9.991 950 HE1 HIS 116 HE1 HIS 116 -28.956 18.772 10.390 951 H HIS 117 HN HIS 117 -32.569 19.339 15.833 952 HA HIS 117 HA HIS 117 -34.982 18.638 17.223 953 HB2 HIS 117 HB2 HIS 117 -33.015 20.918 17.518 954 HB3 HIS 117 HB1 HIS 117 -34.403 20.720 18.588 955 HD1 HIS 117 HD1 HIS 117 -31.201 18.989 17.556 956 HD2 HIS 117 HD2 HIS 117 -34.130 18.682 20.506 957 HE1 HIS 117 HE1 HIS 117 -30.341 17.311 19.247 958 H HIS 118 HN HIS 118 -34.099 21.312 15.058 959 HA HIS 118 HA HIS 118 -37.000 21.943 14.771 960 HB2 HIS 118 HB2 HIS 118 -35.837 23.485 16.470 961 HB3 HIS 118 HB1 HIS 118 -34.936 24.129 15.096 962 HD1 HIS 118 HD1 HIS 118 -36.871 24.494 12.929 963 HD2 HIS 118 HD2 HIS 118 -37.996 25.148 16.888 964 HE1 HIS 118 HE1 HIS 118 -38.915 25.985 12.853 965 H HIS 119 HN HIS 119 -37.556 22.672 12.725 966 HA HIS 119 HA HIS 119 -35.635 22.139 10.595 967 HB2 HIS 119 HB2 HIS 119 -37.499 22.529 9.097 968 HB3 HIS 119 HB1 HIS 119 -38.090 21.587 10.465 969 HD1 HIS 119 HD1 HIS 119 -38.119 25.105 9.073 970 HD2 HIS 119 HD2 HIS 119 -40.024 22.885 12.043 971 HE1 HIS 119 HE1 HIS 119 -40.014 26.544 9.939 972 H HIS 120 HN HIS 120 -35.635 24.602 12.581 973 HA HIS 120 HA HIS 120 -35.064 26.874 12.476 974 HB2 HIS 120 HB2 HIS 120 -33.781 25.892 9.909 975 HB3 HIS 120 HB1 HIS 120 -33.408 27.416 10.717 976 HD1 HIS 120 HD1 HIS 120 -32.522 27.136 13.286 977 HD2 HIS 120 HD2 HIS 120 -32.317 23.743 10.875 978 HE1 HIS 120 HE1 HIS 120 -30.923 25.540 14.430 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.570 -9.921 17.219 2 H2 MET 1 HT2 MET 1 -7.806 -9.020 16.477 3 H3 MET 1 HT3 MET 1 -7.972 -10.699 16.669 4 HA MET 1 HA MET 1 -8.047 -10.466 19.061 5 HB2 MET 1 HB2 MET 1 -7.735 -7.531 18.378 6 HB3 MET 1 HB1 MET 1 -8.224 -8.125 19.964 7 HG2 MET 1 HG2 MET 1 -6.136 -9.376 20.176 8 HG3 MET 1 HG1 MET 1 -5.652 -8.880 18.555 9 HE1 MET 1 HE1 MET 1 -6.719 -7.985 21.960 10 HE2 MET 1 HE2 MET 1 -7.428 -6.469 21.409 11 HE3 MET 1 HE3 MET 1 -5.960 -6.445 22.382 12 H THR 2 HN THR 2 -9.693 -7.598 18.974 13 HA THR 2 HA THR 2 -12.265 -8.977 18.320 14 HB THR 2 HB THR 2 -11.697 -6.434 19.868 15 HG1 THR 2 HG1 THR 2 -11.139 -8.216 21.059 16 HG21 THR 2 HG21 THR 2 -14.250 -7.877 19.147 17 HG22 THR 2 HG22 THR 2 -13.840 -6.183 18.872 18 HG23 THR 2 HG23 THR 2 -14.154 -6.760 20.509 19 H LEU 3 HN LEU 3 -10.042 -6.665 17.137 20 HA LEU 3 HA LEU 3 -11.820 -4.888 15.735 21 HB2 LEU 3 HB2 LEU 3 -9.047 -5.757 14.872 22 HB3 LEU 3 HB1 LEU 3 -9.872 -4.263 14.429 23 HG LEU 3 HG LEU 3 -9.044 -5.049 17.242 24 HD11 LEU 3 HD11 LEU 3 -7.939 -2.891 15.420 25 HD12 LEU 3 HD12 LEU 3 -7.164 -4.452 15.687 26 HD13 LEU 3 HD13 LEU 3 -7.349 -3.319 17.026 27 HD21 LEU 3 HD21 LEU 3 -10.930 -3.656 17.501 28 HD22 LEU 3 HD22 LEU 3 -10.535 -2.694 16.077 29 HD23 LEU 3 HD23 LEU 3 -9.592 -2.510 17.556 30 H GLU 4 HN GLU 4 -10.304 -7.968 14.846 31 HA GLU 4 HA GLU 4 -11.171 -8.039 12.122 32 HB2 GLU 4 HB2 GLU 4 -10.775 -10.482 12.298 33 HB3 GLU 4 HB1 GLU 4 -9.456 -9.567 13.030 34 HG2 GLU 4 HG2 GLU 4 -10.787 -9.827 15.251 35 HG3 GLU 4 HG1 GLU 4 -11.673 -11.094 14.402 36 H LEU 5 HN LEU 5 -12.624 -9.451 15.049 37 HA LEU 5 HA LEU 5 -14.965 -10.438 13.715 38 HB2 LEU 5 HB2 LEU 5 -14.282 -11.259 15.941 39 HB3 LEU 5 HB1 LEU 5 -14.565 -9.659 16.623 40 HG LEU 5 HG LEU 5 -16.952 -9.811 16.052 41 HD11 LEU 5 HD11 LEU 5 -17.159 -11.102 14.125 42 HD12 LEU 5 HD12 LEU 5 -17.683 -12.258 15.348 43 HD13 LEU 5 HD13 LEU 5 -16.044 -12.341 14.702 44 HD21 LEU 5 HD21 LEU 5 -15.754 -12.112 17.609 45 HD22 LEU 5 HD22 LEU 5 -17.495 -11.849 17.520 46 HD23 LEU 5 HD23 LEU 5 -16.454 -10.619 18.234 47 H GLN 6 HN GLN 6 -14.201 -7.433 15.380 48 HA GLN 6 HA GLN 6 -16.816 -6.275 15.276 49 HB2 GLN 6 HB2 GLN 6 -15.014 -5.390 16.712 50 HB3 GLN 6 HB1 GLN 6 -14.101 -4.936 15.274 51 HG2 GLN 6 HG2 GLN 6 -15.770 -3.345 14.610 52 HG3 GLN 6 HG1 GLN 6 -16.881 -3.902 15.860 53 HE21 GLN 6 HE21 GLN 6 -16.004 -1.161 15.677 54 HE22 GLN 6 HE22 GLN 6 -15.071 -0.819 17.054 55 H LEU 7 HN LEU 7 -14.117 -6.287 12.995 56 HA LEU 7 HA LEU 7 -15.162 -4.343 11.183 57 HB2 LEU 7 HB2 LEU 7 -12.839 -5.180 11.068 58 HB3 LEU 7 HB1 LEU 7 -13.439 -6.771 10.606 59 HG LEU 7 HG LEU 7 -14.445 -5.796 8.558 60 HD11 LEU 7 HD11 LEU 7 -14.953 -3.565 9.019 61 HD12 LEU 7 HD12 LEU 7 -13.504 -3.391 8.034 62 HD13 LEU 7 HD13 LEU 7 -13.396 -3.258 9.789 63 HD21 LEU 7 HD21 LEU 7 -11.497 -5.386 9.079 64 HD22 LEU 7 HD22 LEU 7 -12.202 -5.088 7.491 65 HD23 LEU 7 HD23 LEU 7 -12.288 -6.698 8.204 66 H LYS 8 HN LYS 8 -15.526 -7.873 11.302 67 HA LYS 8 HA LYS 8 -17.129 -8.115 8.941 68 HB2 LYS 8 HB2 LYS 8 -16.014 -10.021 10.121 69 HB3 LYS 8 HB1 LYS 8 -17.193 -9.855 11.422 70 HG2 LYS 8 HG2 LYS 8 -19.023 -10.316 9.875 71 HG3 LYS 8 HG1 LYS 8 -17.897 -10.388 8.521 72 HD2 LYS 8 HD2 LYS 8 -16.753 -12.310 9.590 73 HD3 LYS 8 HD1 LYS 8 -17.913 -12.251 10.917 74 HE2 LYS 8 HE2 LYS 8 -18.675 -12.636 8.009 75 HE3 LYS 8 HE1 LYS 8 -18.496 -13.952 9.166 76 HZ1 LYS 8 HZ1 LYS 8 -20.664 -12.134 8.815 77 HZ2 LYS 8 HZ2 LYS 8 -20.108 -12.132 10.421 78 HZ3 LYS 8 HZ3 LYS 8 -20.607 -13.584 9.692 79 H HIS 9 HN HIS 9 -17.963 -7.588 12.341 80 HA HIS 9 HA HIS 9 -20.806 -7.781 12.032 81 HB2 HIS 9 HB2 HIS 9 -19.649 -7.823 14.227 82 HB3 HIS 9 HB1 HIS 9 -19.208 -6.129 14.006 83 HD1 HIS 9 HD1 HIS 9 -20.759 -4.597 15.206 84 HD2 HIS 9 HD2 HIS 9 -22.726 -8.016 13.854 85 HE1 HIS 9 HE1 HIS 9 -23.179 -4.359 15.915 86 H TYR 10 HN TYR 10 -18.631 -4.951 11.992 87 HA TYR 10 HA TYR 10 -20.684 -3.007 11.540 88 HB2 TYR 10 HB2 TYR 10 -18.447 -2.353 12.267 89 HB3 TYR 10 HB1 TYR 10 -17.756 -2.972 10.767 90 HD1 TYR 10 HD1 TYR 10 -20.249 -0.512 12.073 91 HD2 TYR 10 HD2 TYR 10 -17.604 -1.584 8.865 92 HE1 TYR 10 HE1 TYR 10 -20.715 1.654 10.963 93 HE2 TYR 10 HE2 TYR 10 -18.071 0.583 7.756 94 HH TYR 10 HH TYR 10 -19.018 2.599 7.993 95 H ILE 11 HN ILE 11 -18.566 -4.718 9.227 96 HA ILE 11 HA ILE 11 -19.653 -3.475 6.881 97 HB ILE 11 HB ILE 11 -18.308 -6.161 7.267 98 HG12 ILE 11 HG12 ILE 11 -16.922 -4.194 7.799 99 HG13 ILE 11 HG11 ILE 11 -16.342 -5.007 6.351 100 HG21 ILE 11 HG21 ILE 11 -17.871 -5.900 4.748 101 HG22 ILE 11 HG22 ILE 11 -19.178 -4.717 4.764 102 HG23 ILE 11 HG23 ILE 11 -19.498 -6.389 5.224 103 HD11 ILE 11 HD11 ILE 11 -16.320 -2.856 5.545 104 HD12 ILE 11 HD12 ILE 11 -17.576 -2.312 6.648 105 HD13 ILE 11 HD13 ILE 11 -18.008 -3.198 5.192 106 H THR 12 HN THR 12 -20.500 -6.484 8.562 107 HA THR 12 HA THR 12 -22.485 -7.331 6.693 108 HB THR 12 HB THR 12 -23.377 -8.620 8.709 109 HG1 THR 12 HG1 THR 12 -21.173 -8.174 10.173 110 HG21 THR 12 HG21 THR 12 -21.126 -9.887 8.962 111 HG22 THR 12 HG22 THR 12 -20.516 -8.748 7.766 112 HG23 THR 12 HG23 THR 12 -21.862 -9.816 7.364 113 H ASN 13 HN ASN 13 -22.751 -5.391 9.660 114 HA ASN 13 HA ASN 13 -25.599 -5.075 9.570 115 HB2 ASN 13 HB2 ASN 13 -23.363 -3.479 10.819 116 HB3 ASN 13 HB1 ASN 13 -25.044 -2.973 10.964 117 HD21 ASN 13 HD21 ASN 13 -23.591 -3.726 13.288 118 HD22 ASN 13 HD22 ASN 13 -24.219 -5.189 13.876 119 H LEU 14 HN LEU 14 -22.936 -3.163 8.225 120 HA LEU 14 HA LEU 14 -24.541 -1.005 7.265 121 HB2 LEU 14 HB2 LEU 14 -22.102 -0.822 7.414 122 HB3 LEU 14 HB1 LEU 14 -21.916 -2.094 6.210 123 HG LEU 14 HG LEU 14 -23.011 -0.692 4.513 124 HD11 LEU 14 HD11 LEU 14 -23.323 1.813 5.276 125 HD12 LEU 14 HD12 LEU 14 -23.463 1.107 6.886 126 HD13 LEU 14 HD13 LEU 14 -24.587 0.633 5.614 127 HD21 LEU 14 HD21 LEU 14 -20.928 0.991 5.925 128 HD22 LEU 14 HD22 LEU 14 -21.244 0.881 4.194 129 HD23 LEU 14 HD23 LEU 14 -20.522 -0.484 5.046 130 H PHE 15 HN PHE 15 -23.502 -4.023 5.697 131 HA PHE 15 HA PHE 15 -25.191 -3.359 3.330 132 HB2 PHE 15 HB2 PHE 15 -23.051 -5.426 3.869 133 HB3 PHE 15 HB1 PHE 15 -24.085 -5.512 2.442 134 HD1 PHE 15 HD1 PHE 15 -24.109 -3.590 0.813 135 HD2 PHE 15 HD2 PHE 15 -21.255 -3.848 4.014 136 HE1 PHE 15 HE1 PHE 15 -22.683 -1.911 -0.324 137 HE2 PHE 15 HE2 PHE 15 -19.829 -2.167 2.877 138 HZ PHE 15 HZ PHE 15 -20.544 -1.198 0.708 139 H ASN 16 HN ASN 16 -25.630 -4.702 6.267 140 HA ASN 16 HA ASN 16 -27.223 -6.161 7.172 141 HB2 ASN 16 HB2 ASN 16 -28.659 -4.619 5.755 142 HB3 ASN 16 HB1 ASN 16 -28.628 -5.862 4.504 143 HD21 ASN 16 HD21 ASN 16 -30.867 -6.466 4.687 144 HD22 ASN 16 HD22 ASN 16 -31.504 -7.196 6.081 145 H LEU 17 HN LEU 17 -24.994 -7.407 5.993 146 HA LEU 17 HA LEU 17 -26.016 -9.667 4.395 147 HB2 LEU 17 HB2 LEU 17 -23.235 -9.140 5.479 148 HB3 LEU 17 HB1 LEU 17 -23.653 -10.350 4.276 149 HG LEU 17 HG LEU 17 -24.250 -7.414 3.868 150 HD11 LEU 17 HD11 LEU 17 -21.861 -7.535 4.183 151 HD12 LEU 17 HD12 LEU 17 -22.176 -7.387 2.455 152 HD13 LEU 17 HD13 LEU 17 -21.748 -8.954 3.141 153 HD21 LEU 17 HD21 LEU 17 -24.083 -9.844 2.070 154 HD22 LEU 17 HD22 LEU 17 -24.082 -8.199 1.440 155 HD23 LEU 17 HD23 LEU 17 -25.470 -8.792 2.344 156 HA PRO 18 HA PRO 18 -26.737 -12.290 7.897 157 HB2 PRO 18 HB2 PRO 18 -26.180 -14.763 6.817 158 HB3 PRO 18 HB1 PRO 18 -27.651 -13.843 6.446 159 HG2 PRO 18 HG2 PRO 18 -25.106 -14.043 4.886 160 HG3 PRO 18 HG1 PRO 18 -26.784 -14.134 4.315 161 HD2 PRO 18 HD2 PRO 18 -25.353 -11.872 4.066 162 HD3 PRO 18 HD1 PRO 18 -27.091 -11.820 4.432 163 H ARG 19 HN ARG 19 -25.600 -13.095 9.640 164 HA ARG 19 HA ARG 19 -22.655 -13.032 9.491 165 HB2 ARG 19 HB2 ARG 19 -24.576 -13.488 11.787 166 HB3 ARG 19 HB1 ARG 19 -22.826 -13.385 11.965 167 HG2 ARG 19 HG2 ARG 19 -24.296 -11.150 10.569 168 HG3 ARG 19 HG1 ARG 19 -24.324 -11.232 12.329 169 HD2 ARG 19 HD2 ARG 19 -21.777 -11.278 10.686 170 HD3 ARG 19 HD1 ARG 19 -22.448 -9.823 11.423 171 HE ARG 19 HE ARG 19 -22.218 -11.811 13.440 172 HH11 ARG 19 HH21 ARG 19 -20.295 -9.869 11.342 173 HH12 ARG 19 HH22 ARG 19 -18.944 -9.809 12.424 174 HH21 ARG 19 HH11 ARG 19 -20.470 -11.752 14.854 175 HH22 ARG 19 HH12 ARG 19 -19.043 -10.875 14.412 176 H ASP 20 HN ASP 20 -25.110 -15.382 9.204 177 HA ASP 20 HA ASP 20 -23.532 -17.587 10.325 178 HB2 ASP 20 HB2 ASP 20 -25.342 -19.014 9.603 179 HB3 ASP 20 HB1 ASP 20 -26.068 -17.545 10.252 180 H GLU 21 HN GLU 21 -23.166 -15.747 7.642 181 HA GLU 21 HA GLU 21 -22.677 -17.775 5.632 182 HB2 GLU 21 HB2 GLU 21 -23.185 -15.370 5.129 183 HB3 GLU 21 HB1 GLU 21 -21.589 -14.951 5.750 184 HG2 GLU 21 HG2 GLU 21 -21.398 -15.142 3.355 185 HG3 GLU 21 HG1 GLU 21 -20.610 -16.557 4.050 186 H LYS 22 HN LYS 22 -20.844 -18.920 5.260 187 HA LYS 22 HA LYS 22 -18.661 -18.755 7.210 188 HB2 LYS 22 HB2 LYS 22 -18.949 -20.482 4.733 189 HB3 LYS 22 HB1 LYS 22 -17.790 -20.727 6.038 190 HG2 LYS 22 HG2 LYS 22 -20.774 -20.694 6.529 191 HG3 LYS 22 HG1 LYS 22 -19.913 -22.172 6.109 192 HD2 LYS 22 HD2 LYS 22 -18.416 -21.828 8.067 193 HD3 LYS 22 HD1 LYS 22 -19.349 -20.402 8.510 194 HE2 LYS 22 HE2 LYS 22 -21.374 -21.779 8.725 195 HE3 LYS 22 HE1 LYS 22 -20.441 -23.214 8.298 196 HZ1 LYS 22 HZ1 LYS 22 -20.671 -22.952 10.703 197 HZ2 LYS 22 HZ2 LYS 22 -19.896 -21.443 10.619 198 HZ3 LYS 22 HZ3 LYS 22 -19.048 -22.860 10.221 199 H TRP 23 HN TRP 23 -17.102 -17.285 6.963 200 HA TRP 23 HA TRP 23 -16.449 -16.261 4.252 201 HB2 TRP 23 HB2 TRP 23 -15.822 -15.352 7.064 202 HB3 TRP 23 HB1 TRP 23 -14.945 -14.697 5.683 203 HD1 TRP 23 HD1 TRP 23 -18.603 -15.572 5.220 204 HE1 TRP 23 HE1 TRP 23 -19.959 -13.397 4.943 205 HE3 TRP 23 HE3 TRP 23 -15.008 -12.145 6.387 206 HZ2 TRP 23 HZ2 TRP 23 -19.564 -10.570 5.186 207 HZ3 TRP 23 HZ3 TRP 23 -15.520 -9.721 6.357 208 HH2 TRP 23 HH2 TRP 23 -17.792 -8.930 5.759 209 H GLU 24 HN GLU 24 -14.374 -16.433 3.379 210 HA GLU 24 HA GLU 24 -12.575 -18.452 4.681 211 HB2 GLU 24 HB2 GLU 24 -13.007 -17.706 1.780 212 HB3 GLU 24 HB1 GLU 24 -11.696 -18.753 2.328 213 HG2 GLU 24 HG2 GLU 24 -13.321 -20.306 3.313 214 HG3 GLU 24 HG1 GLU 24 -14.646 -19.248 2.828 215 H CYS 25 HN CYS 25 -10.766 -17.619 5.511 216 HA CYS 25 HA CYS 25 -9.926 -14.883 4.804 217 HB2 CYS 25 HB2 CYS 25 -8.472 -16.701 6.718 218 HB3 CYS 25 HB1 CYS 25 -8.630 -14.945 6.763 219 HG CYS 25 HG CYS 25 -10.702 -16.964 7.815 220 H GLU 26 HN GLU 26 -8.247 -14.423 3.481 221 HA GLU 26 HA GLU 26 -6.483 -16.674 2.564 222 HB2 GLU 26 HB2 GLU 26 -7.457 -14.197 1.118 223 HB3 GLU 26 HB1 GLU 26 -6.164 -15.234 0.502 224 HG2 GLU 26 HG2 GLU 26 -7.687 -17.169 0.564 225 HG3 GLU 26 HG1 GLU 26 -8.978 -16.138 1.176 226 H SER 27 HN SER 27 -4.553 -16.510 3.513 227 HA SER 27 HA SER 27 -3.535 -13.855 4.367 228 HB2 SER 27 HB2 SER 27 -3.503 -15.845 5.921 229 HB3 SER 27 HB1 SER 27 -2.332 -16.596 4.841 230 HG SER 27 HG SER 27 -0.845 -15.226 5.495 231 H ILE 28 HN ILE 28 -2.720 -12.882 2.561 232 HA ILE 28 HA ILE 28 -0.444 -14.256 1.188 233 HB ILE 28 HB ILE 28 -2.401 -14.304 -0.308 234 HG12 ILE 28 HG12 ILE 28 -0.429 -12.177 -1.182 235 HG13 ILE 28 HG11 ILE 28 -0.060 -13.902 -1.158 236 HG21 ILE 28 HG21 ILE 28 -3.475 -12.266 -1.047 237 HG22 ILE 28 HG22 ILE 28 -2.350 -11.281 -0.111 238 HG23 ILE 28 HG23 ILE 28 -3.526 -12.305 0.715 239 HD11 ILE 28 HD11 ILE 28 -0.795 -13.211 -3.401 240 HD12 ILE 28 HD12 ILE 28 -2.305 -12.599 -2.724 241 HD13 ILE 28 HD13 ILE 28 -1.956 -14.328 -2.683 242 H GLU 29 HN GLU 29 1.320 -12.963 0.887 243 HA GLU 29 HA GLU 29 1.256 -10.311 2.206 244 HB2 GLU 29 HB2 GLU 29 3.021 -11.961 2.792 245 HB3 GLU 29 HB1 GLU 29 3.592 -11.904 1.123 246 HG2 GLU 29 HG2 GLU 29 4.068 -9.516 1.332 247 HG3 GLU 29 HG1 GLU 29 3.426 -9.510 2.974 248 H GLU 30 HN GLU 30 1.353 -8.431 1.094 249 HA GLU 30 HA GLU 30 2.387 -8.425 -1.692 250 HB2 GLU 30 HB2 GLU 30 -0.387 -7.519 -0.894 251 HB3 GLU 30 HB1 GLU 30 0.390 -7.039 -2.403 252 HG2 GLU 30 HG2 GLU 30 0.650 -9.415 -3.024 253 HG3 GLU 30 HG1 GLU 30 -0.136 -9.890 -1.520 254 H VAL 31 HN VAL 31 2.802 -6.238 -2.464 255 HA VAL 31 HA VAL 31 3.989 -4.593 -0.415 256 HB VAL 31 HB VAL 31 3.501 -3.819 -3.289 257 HG11 VAL 31 HG11 VAL 31 4.302 -2.064 -1.709 258 HG12 VAL 31 HG12 VAL 31 5.499 -2.450 -2.945 259 HG13 VAL 31 HG13 VAL 31 5.681 -3.088 -1.309 260 HG21 VAL 31 HG21 VAL 31 5.697 -4.844 -3.758 261 HG22 VAL 31 HG22 VAL 31 4.560 -6.056 -3.169 262 HG23 VAL 31 HG23 VAL 31 5.795 -5.408 -2.090 263 H ALA 32 HN ALA 32 3.364 -2.589 0.338 264 HA ALA 32 HA ALA 32 0.568 -2.050 0.584 265 HB1 ALA 32 HB1 ALA 32 2.060 -1.220 2.266 266 HB2 ALA 32 HB2 ALA 32 1.415 0.200 1.440 267 HB3 ALA 32 HB3 ALA 32 3.038 -0.378 1.063 268 H ASP 33 HN ASP 33 3.036 -0.780 -1.625 269 HA ASP 33 HA ASP 33 1.331 1.276 -2.750 270 HB2 ASP 33 HB2 ASP 33 3.881 1.181 -2.843 271 HB3 ASP 33 HB1 ASP 33 3.689 -0.033 -4.106 272 H ASP 34 HN ASP 34 1.322 -2.096 -3.055 273 HA ASP 34 HA ASP 34 0.281 -2.086 -5.832 274 HB2 ASP 34 HB2 ASP 34 0.812 -4.291 -3.830 275 HB3 ASP 34 HB1 ASP 34 0.073 -4.580 -5.405 276 H ILE 35 HN ILE 35 -0.892 -2.081 -2.563 277 HA ILE 35 HA ILE 35 -3.672 -2.700 -3.522 278 HB ILE 35 HB ILE 35 -3.940 -2.723 -0.821 279 HG12 ILE 35 HG12 ILE 35 -1.160 -3.864 -1.190 280 HG13 ILE 35 HG11 ILE 35 -1.397 -2.189 -0.703 281 HG21 ILE 35 HG21 ILE 35 -3.502 -5.205 -0.942 282 HG22 ILE 35 HG22 ILE 35 -2.923 -4.956 -2.589 283 HG23 ILE 35 HG23 ILE 35 -4.597 -4.585 -2.177 284 HD11 ILE 35 HD11 ILE 35 -2.714 -2.908 1.236 285 HD12 ILE 35 HD12 ILE 35 -1.134 -3.692 1.260 286 HD13 ILE 35 HD13 ILE 35 -2.557 -4.591 0.735 287 H LEU 36 HN LEU 36 -2.542 -0.854 -0.725 288 HA LEU 36 HA LEU 36 -4.589 1.042 -0.781 289 HB2 LEU 36 HB2 LEU 36 -1.748 1.554 0.143 290 HB3 LEU 36 HB1 LEU 36 -3.201 2.363 0.722 291 HG LEU 36 HG LEU 36 -2.536 -0.577 1.043 292 HD11 LEU 36 HD11 LEU 36 -2.972 1.464 3.225 293 HD12 LEU 36 HD12 LEU 36 -1.379 1.210 2.511 294 HD13 LEU 36 HD13 LEU 36 -2.197 -0.115 3.339 295 HD21 LEU 36 HD21 LEU 36 -5.034 1.031 1.570 296 HD22 LEU 36 HD22 LEU 36 -4.659 -0.355 2.592 297 HD23 LEU 36 HD23 LEU 36 -4.877 -0.576 0.859 298 HA PRO 37 HA PRO 37 -3.718 3.615 -4.267 299 HB2 PRO 37 HB2 PRO 37 -4.663 6.052 -3.398 300 HB3 PRO 37 HB1 PRO 37 -5.719 4.706 -3.876 301 HG2 PRO 37 HG2 PRO 37 -4.845 5.528 -1.135 302 HG3 PRO 37 HG1 PRO 37 -6.465 5.086 -1.709 303 HD2 PRO 37 HD2 PRO 37 -4.949 3.316 -0.376 304 HD3 PRO 37 HD1 PRO 37 -5.981 2.795 -1.722 305 H ASP 38 HN ASP 38 -2.122 4.966 -5.057 306 HA ASP 38 HA ASP 38 0.276 5.315 -3.641 307 HB2 ASP 38 HB2 ASP 38 -0.153 5.535 -6.158 308 HB3 ASP 38 HB1 ASP 38 -0.651 7.192 -5.815 309 H GLN 39 HN GLN 39 -2.641 7.124 -3.437 310 HA GLN 39 HA GLN 39 -1.584 9.655 -2.572 311 HB2 GLN 39 HB2 GLN 39 -3.936 9.320 -3.299 312 HB3 GLN 39 HB1 GLN 39 -4.222 8.351 -1.853 313 HG2 GLN 39 HG2 GLN 39 -3.725 10.253 -0.418 314 HG3 GLN 39 HG1 GLN 39 -3.283 11.232 -1.816 315 HE21 GLN 39 HE21 GLN 39 -4.955 12.775 -1.896 316 HE22 GLN 39 HE22 GLN 39 -6.606 12.387 -1.958 317 H TYR 40 HN TYR 40 -2.465 6.696 -0.835 318 HA TYR 40 HA TYR 40 -1.751 7.936 1.755 319 HB2 TYR 40 HB2 TYR 40 -3.679 6.457 1.746 320 HB3 TYR 40 HB1 TYR 40 -2.730 5.167 1.009 321 HD1 TYR 40 HD1 TYR 40 -2.376 7.505 3.935 322 HD2 TYR 40 HD2 TYR 40 -2.062 3.475 2.478 323 HE1 TYR 40 HE1 TYR 40 -1.640 6.753 6.173 324 HE2 TYR 40 HE2 TYR 40 -1.343 2.721 4.730 325 HH TYR 40 HH TYR 40 -0.780 3.352 6.781 326 H VAL 41 HN VAL 41 0.004 6.798 -0.715 327 HA VAL 41 HA VAL 41 1.991 5.331 0.975 328 HB VAL 41 HB VAL 41 1.878 5.640 -2.034 329 HG11 VAL 41 HG11 VAL 41 3.605 4.053 -0.141 330 HG12 VAL 41 HG12 VAL 41 4.108 5.135 -1.441 331 HG13 VAL 41 HG13 VAL 41 3.402 3.566 -1.825 332 HG21 VAL 41 HG21 VAL 41 0.875 3.477 -2.135 333 HG22 VAL 41 HG22 VAL 41 -0.045 4.346 -0.910 334 HG23 VAL 41 HG23 VAL 41 1.178 3.173 -0.426 335 H ARG 42 HN ARG 42 1.272 8.397 -0.048 336 HA ARG 42 HA ARG 42 3.900 9.379 -0.798 337 HB2 ARG 42 HB2 ARG 42 1.413 10.766 0.250 338 HB3 ARG 42 HB1 ARG 42 2.868 11.635 -0.232 339 HG2 ARG 42 HG2 ARG 42 2.693 10.679 -2.501 340 HG3 ARG 42 HG1 ARG 42 1.248 9.794 -2.014 341 HD2 ARG 42 HD2 ARG 42 0.098 11.920 -1.530 342 HD3 ARG 42 HD1 ARG 42 1.536 12.814 -2.012 343 HE ARG 42 HE ARG 42 -0.331 11.421 -3.826 344 HH11 ARG 42 HH21 ARG 42 2.686 13.040 -3.330 345 HH12 ARG 42 HH22 ARG 42 2.944 13.333 -5.015 346 HH21 ARG 42 HH11 ARG 42 0.004 11.802 -6.012 347 HH22 ARG 42 HH12 ARG 42 1.433 12.631 -6.531 348 H LEU 43 HN LEU 43 2.701 8.183 2.061 349 HA LEU 43 HA LEU 43 3.735 9.971 4.031 350 HB2 LEU 43 HB2 LEU 43 3.075 7.038 3.980 351 HB3 LEU 43 HB1 LEU 43 3.799 7.753 5.417 352 HG LEU 43 HG LEU 43 1.278 7.693 5.444 353 HD11 LEU 43 HD11 LEU 43 1.995 10.607 5.409 354 HD12 LEU 43 HD12 LEU 43 2.881 9.565 6.521 355 HD13 LEU 43 HD13 LEU 43 1.127 9.672 6.625 356 HD21 LEU 43 HD21 LEU 43 0.017 9.094 3.963 357 HD22 LEU 43 HD22 LEU 43 1.133 8.188 2.943 358 HD23 LEU 43 HD23 LEU 43 1.474 9.871 3.347 359 H GLY 44 HN GLY 44 5.228 7.201 2.379 360 HA2 GLY 44 HA2 GLY 44 7.651 7.448 1.805 361 HA3 GLY 44 HA1 GLY 44 7.901 8.135 3.402 362 HA PRO 45 HA PRO 45 8.737 4.228 5.303 363 HB2 PRO 45 HB2 PRO 45 6.186 4.314 6.871 364 HB3 PRO 45 HB1 PRO 45 7.855 4.116 7.444 365 HG2 PRO 45 HG2 PRO 45 6.541 6.423 7.738 366 HG3 PRO 45 HG1 PRO 45 8.280 6.381 7.395 367 HD2 PRO 45 HD2 PRO 45 6.016 7.070 5.565 368 HD3 PRO 45 HD1 PRO 45 7.679 7.693 5.591 369 H LEU 46 HN LEU 46 5.354 4.575 4.305 370 HA LEU 46 HA LEU 46 5.030 1.669 3.952 371 HB2 LEU 46 HB2 LEU 46 3.202 3.971 3.213 372 HB3 LEU 46 HB1 LEU 46 2.758 2.264 3.201 373 HG LEU 46 HG LEU 46 3.664 3.823 5.644 374 HD11 LEU 46 HD11 LEU 46 1.478 4.585 5.142 375 HD12 LEU 46 HD12 LEU 46 1.225 3.302 6.326 376 HD13 LEU 46 HD13 LEU 46 0.952 2.988 4.613 377 HD21 LEU 46 HD21 LEU 46 2.603 1.632 6.710 378 HD22 LEU 46 HD22 LEU 46 4.269 1.619 6.137 379 HD23 LEU 46 HD23 LEU 46 2.990 0.929 5.139 380 H SER 47 HN SER 47 6.577 4.001 2.272 381 HA SER 47 HA SER 47 5.909 4.059 -0.381 382 HB2 SER 47 HB2 SER 47 8.599 3.592 0.892 383 HB3 SER 47 HB1 SER 47 8.432 3.796 -0.849 384 HG SER 47 HG SER 47 7.221 5.618 0.915 385 H ASN 48 HN ASN 48 8.474 1.742 0.162 386 HA ASN 48 HA ASN 48 6.988 -0.247 -1.517 387 HB2 ASN 48 HB2 ASN 48 9.156 0.605 -2.395 388 HB3 ASN 48 HB1 ASN 48 9.958 -0.011 -0.949 389 HD21 ASN 48 HD21 ASN 48 7.835 -1.163 -3.624 390 HD22 ASN 48 HD22 ASN 48 8.520 -2.713 -3.694 391 H LYS 49 HN LYS 49 6.666 0.139 1.417 392 HA LYS 49 HA LYS 49 8.083 -2.025 2.738 393 HB2 LYS 49 HB2 LYS 49 7.224 -0.030 3.943 394 HB3 LYS 49 HB1 LYS 49 5.580 -0.570 3.616 395 HG2 LYS 49 HG2 LYS 49 5.980 -2.638 4.862 396 HG3 LYS 49 HG1 LYS 49 7.657 -2.169 5.140 397 HD2 LYS 49 HD2 LYS 49 6.883 -0.168 6.380 398 HD3 LYS 49 HD1 LYS 49 5.210 -0.667 6.124 399 HE2 LYS 49 HE2 LYS 49 5.638 -2.758 7.355 400 HE3 LYS 49 HE1 LYS 49 7.316 -2.279 7.597 401 HZ1 LYS 49 HZ1 LYS 49 5.262 -1.718 9.271 402 HZ2 LYS 49 HZ2 LYS 49 5.429 -0.270 8.400 403 HZ3 LYS 49 HZ3 LYS 49 6.756 -0.913 9.246 404 H ILE 50 HN ILE 50 7.458 -4.103 3.030 405 HA ILE 50 HA ILE 50 5.101 -5.061 1.520 406 HB ILE 50 HB ILE 50 7.313 -6.564 2.941 407 HG12 ILE 50 HG12 ILE 50 6.868 -6.067 -0.019 408 HG13 ILE 50 HG11 ILE 50 7.990 -5.139 0.973 409 HG21 ILE 50 HG21 ILE 50 6.472 -8.472 1.561 410 HG22 ILE 50 HG22 ILE 50 5.123 -7.460 1.046 411 HG23 ILE 50 HG23 ILE 50 5.287 -7.915 2.742 412 HD11 ILE 50 HD11 ILE 50 8.095 -8.128 0.468 413 HD12 ILE 50 HD12 ILE 50 9.175 -7.254 1.555 414 HD13 ILE 50 HD13 ILE 50 9.205 -6.918 -0.176 415 H LEU 51 HN LEU 51 3.212 -5.435 2.542 416 HA LEU 51 HA LEU 51 3.242 -5.914 5.511 417 HB2 LEU 51 HB2 LEU 51 1.047 -4.668 3.839 418 HB3 LEU 51 HB1 LEU 51 1.064 -4.833 5.596 419 HG LEU 51 HG LEU 51 3.052 -3.229 3.962 420 HD11 LEU 51 HD11 LEU 51 0.862 -2.299 5.839 421 HD12 LEU 51 HD12 LEU 51 0.754 -2.262 4.081 422 HD13 LEU 51 HD13 LEU 51 1.954 -1.272 4.910 423 HD21 LEU 51 HD21 LEU 51 4.246 -3.884 5.875 424 HD22 LEU 51 HD22 LEU 51 2.809 -3.887 6.897 425 HD23 LEU 51 HD23 LEU 51 3.536 -2.359 6.398 426 H GLN 52 HN GLN 52 1.964 -7.540 6.321 427 HA GLN 52 HA GLN 52 1.246 -9.673 4.453 428 HB2 GLN 52 HB2 GLN 52 2.214 -10.119 6.711 429 HB3 GLN 52 HB1 GLN 52 0.753 -9.450 7.438 430 HG2 GLN 52 HG2 GLN 52 -0.601 -11.166 6.281 431 HG3 GLN 52 HG1 GLN 52 0.867 -11.843 5.580 432 HE21 GLN 52 HE21 GLN 52 1.108 -13.807 6.685 433 HE22 GLN 52 HE22 GLN 52 1.143 -13.955 8.377 434 H THR 53 HN THR 53 -0.595 -9.308 3.273 435 HA THR 53 HA THR 53 -2.843 -7.816 4.462 436 HB THR 53 HB THR 53 -3.754 -7.756 2.284 437 HG1 THR 53 HG1 THR 53 -2.904 -10.219 2.170 438 HG21 THR 53 HG21 THR 53 -0.825 -7.985 1.629 439 HG22 THR 53 HG22 THR 53 -1.423 -6.667 2.636 440 HG23 THR 53 HG23 THR 53 -2.014 -6.855 0.985 441 H ASN 54 HN ASN 54 -5.038 -8.708 4.386 442 HA ASN 54 HA ASN 54 -5.210 -11.680 4.446 443 HB2 ASN 54 HB2 ASN 54 -4.857 -10.663 6.793 444 HB3 ASN 54 HB1 ASN 54 -6.474 -9.984 6.609 445 HD21 ASN 54 HD21 ASN 54 -4.923 -13.178 5.939 446 HD22 ASN 54 HD22 ASN 54 -6.163 -14.093 6.649 447 H THR 55 HN THR 55 -6.317 -11.397 2.451 448 HA THR 55 HA THR 55 -8.746 -9.738 2.352 449 HB THR 55 HB THR 55 -7.643 -11.718 0.340 450 HG1 THR 55 HG1 THR 55 -6.892 -9.757 -0.645 451 HG21 THR 55 HG21 THR 55 -9.051 -10.452 -1.257 452 HG22 THR 55 HG22 THR 55 -9.672 -9.480 0.077 453 HG23 THR 55 HG23 THR 55 -10.025 -11.206 0.005 454 H TYR 56 HN TYR 56 -10.828 -10.509 2.544 455 HA TYR 56 HA TYR 56 -11.131 -13.404 3.261 456 HB2 TYR 56 HB2 TYR 56 -12.916 -11.024 3.834 457 HB3 TYR 56 HB1 TYR 56 -13.227 -12.680 4.353 458 HD1 TYR 56 HD2 TYR 56 -11.868 -13.740 6.082 459 HD2 TYR 56 HD1 TYR 56 -11.121 -9.700 4.835 460 HE1 TYR 56 HE2 TYR 56 -10.435 -13.391 8.075 461 HE2 TYR 56 HE1 TYR 56 -9.686 -9.351 6.828 462 HH TYR 56 HH TYR 56 -8.885 -12.017 9.004 463 H TYR 57 HN TYR 57 -12.353 -14.685 1.981 464 HA TYR 57 HA TYR 57 -13.906 -13.414 -0.256 465 HB2 TYR 57 HB2 TYR 57 -12.258 -15.939 -0.107 466 HB3 TYR 57 HB1 TYR 57 -13.511 -15.749 -1.334 467 HD1 TYR 57 HD1 TYR 57 -10.422 -14.166 0.054 468 HD2 TYR 57 HD2 TYR 57 -13.136 -14.438 -3.263 469 HE1 TYR 57 HE1 TYR 57 -8.882 -12.793 -1.325 470 HE2 TYR 57 HE2 TYR 57 -11.598 -13.069 -4.639 471 HH TYR 57 HH TYR 57 -9.035 -11.309 -3.327 472 H SER 58 HN SER 58 -16.023 -13.630 0.019 473 HA SER 58 HA SER 58 -17.105 -16.158 1.191 474 HB2 SER 58 HB2 SER 58 -18.175 -13.406 1.864 475 HB3 SER 58 HB1 SER 58 -18.662 -14.946 2.566 476 HG SER 58 HG SER 58 -16.018 -13.928 2.688 477 H ASP 59 HN ASP 59 -19.216 -16.669 0.410 478 HA ASP 59 HA ASP 59 -19.704 -16.003 -2.326 479 HB2 ASP 59 HB2 ASP 59 -21.423 -17.258 -0.183 480 HB3 ASP 59 HB1 ASP 59 -21.968 -17.082 -1.850 481 H THR 60 HN THR 60 -21.161 -14.800 0.683 482 HA THR 60 HA THR 60 -23.169 -13.172 -0.552 483 HB THR 60 HB THR 60 -23.090 -11.913 1.644 484 HG1 THR 60 HG1 THR 60 -21.424 -12.200 2.874 485 HG21 THR 60 HG21 THR 60 -24.580 -13.773 1.520 486 HG22 THR 60 HG22 THR 60 -23.672 -13.988 3.016 487 HG23 THR 60 HG23 THR 60 -23.251 -14.930 1.585 488 H LEU 61 HN LEU 61 -19.823 -12.492 0.407 489 HA LEU 61 HA LEU 61 -19.842 -9.702 -0.267 490 HB2 LEU 61 HB2 LEU 61 -17.607 -11.737 -0.168 491 HB3 LEU 61 HB1 LEU 61 -17.332 -10.016 -0.428 492 HG LEU 61 HG LEU 61 -18.816 -11.149 1.963 493 HD11 LEU 61 HD11 LEU 61 -15.949 -10.169 1.850 494 HD12 LEU 61 HD12 LEU 61 -16.410 -11.870 1.853 495 HD13 LEU 61 HD13 LEU 61 -16.783 -10.853 3.245 496 HD21 LEU 61 HD21 LEU 61 -19.455 -8.898 1.844 497 HD22 LEU 61 HD22 LEU 61 -17.930 -8.392 1.117 498 HD23 LEU 61 HD23 LEU 61 -18.005 -8.777 2.836 499 H HIS 62 HN HIS 62 -19.077 -12.599 -2.165 500 HA HIS 62 HA HIS 62 -18.138 -11.290 -4.506 501 HB2 HIS 62 HB2 HIS 62 -19.698 -13.869 -4.201 502 HB3 HIS 62 HB1 HIS 62 -18.894 -13.365 -5.685 503 HD1 HIS 62 HD1 HIS 62 -17.838 -15.918 -4.595 504 HD2 HIS 62 HD2 HIS 62 -16.409 -12.240 -3.246 505 HE1 HIS 62 HE1 HIS 62 -15.555 -16.360 -3.593 506 H LYS 63 HN LYS 63 -21.421 -12.086 -3.434 507 HA LYS 63 HA LYS 63 -22.784 -11.258 -5.816 508 HB2 LYS 63 HB2 LYS 63 -23.674 -11.261 -2.917 509 HB3 LYS 63 HB1 LYS 63 -24.755 -10.976 -4.279 510 HG2 LYS 63 HG2 LYS 63 -24.183 -13.192 -5.201 511 HG3 LYS 63 HG1 LYS 63 -23.097 -13.477 -3.842 512 HD2 LYS 63 HD2 LYS 63 -24.998 -13.288 -2.277 513 HD3 LYS 63 HD1 LYS 63 -26.089 -13.006 -3.635 514 HE2 LYS 63 HE2 LYS 63 -25.513 -15.214 -4.567 515 HE3 LYS 63 HE1 LYS 63 -24.407 -15.498 -3.223 516 HZ1 LYS 63 HZ1 LYS 63 -26.591 -16.534 -2.894 517 HZ2 LYS 63 HZ2 LYS 63 -27.321 -15.002 -2.942 518 HZ3 LYS 63 HZ3 LYS 63 -26.238 -15.390 -1.693 519 H SER 64 HN SER 64 -21.838 -9.489 -2.877 520 HA SER 64 HA SER 64 -22.953 -6.963 -3.872 521 HB2 SER 64 HB2 SER 64 -21.014 -7.322 -1.578 522 HB3 SER 64 HB1 SER 64 -22.180 -6.023 -1.808 523 HG SER 64 HG SER 64 -23.761 -7.315 -1.163 524 H ASN 65 HN ASN 65 -20.192 -8.739 -4.519 525 HA ASN 65 HA ASN 65 -18.183 -8.259 -5.618 526 HB2 ASN 65 HB2 ASN 65 -19.720 -5.741 -6.336 527 HB3 ASN 65 HB1 ASN 65 -18.121 -6.116 -6.966 528 HD21 ASN 65 HD21 ASN 65 -19.114 -9.141 -6.798 529 HD22 ASN 65 HD22 ASN 65 -19.982 -9.302 -8.245 530 H ILE 66 HN ILE 66 -18.376 -7.668 -2.818 531 HA ILE 66 HA ILE 66 -16.597 -5.263 -2.569 532 HB ILE 66 HB ILE 66 -18.268 -6.657 -0.459 533 HG12 ILE 66 HG12 ILE 66 -18.589 -3.932 -1.749 534 HG13 ILE 66 HG11 ILE 66 -19.496 -5.359 -2.236 535 HG21 ILE 66 HG21 ILE 66 -17.641 -4.437 0.764 536 HG22 ILE 66 HG22 ILE 66 -16.329 -4.337 -0.410 537 HG23 ILE 66 HG23 ILE 66 -16.428 -5.712 0.689 538 HD11 ILE 66 HD11 ILE 66 -20.788 -3.979 -0.656 539 HD12 ILE 66 HD12 ILE 66 -19.499 -4.138 0.535 540 HD13 ILE 66 HD13 ILE 66 -20.418 -5.558 0.035 541 H TYR 67 HN TYR 67 -14.530 -5.590 -1.999 542 HA TYR 67 HA TYR 67 -13.688 -8.334 -1.130 543 HB2 TYR 67 HB2 TYR 67 -12.125 -6.174 -2.566 544 HB3 TYR 67 HB1 TYR 67 -11.507 -7.767 -2.123 545 HD1 TYR 67 HD1 TYR 67 -12.358 -9.803 -3.213 546 HD2 TYR 67 HD2 TYR 67 -13.711 -5.901 -4.392 547 HE1 TYR 67 HE1 TYR 67 -13.317 -10.763 -5.288 548 HE2 TYR 67 HE2 TYR 67 -14.670 -6.862 -6.469 549 HH TYR 67 HH TYR 67 -14.425 -8.792 -7.883 550 HA PRO 68 HA PRO 68 -12.707 -5.529 2.412 551 HB2 PRO 68 HB2 PRO 68 -13.453 -7.201 4.431 552 HB3 PRO 68 HB1 PRO 68 -14.606 -6.171 3.559 553 HG2 PRO 68 HG2 PRO 68 -14.072 -9.084 3.258 554 HG3 PRO 68 HG1 PRO 68 -15.601 -8.198 3.136 555 HD2 PRO 68 HD2 PRO 68 -14.101 -9.060 0.956 556 HD3 PRO 68 HD1 PRO 68 -15.296 -7.747 0.893 557 H PHE 69 HN PHE 69 -10.781 -5.478 3.557 558 HA PHE 69 HA PHE 69 -9.307 -7.999 4.015 559 HB2 PHE 69 HB2 PHE 69 -7.329 -7.284 2.804 560 HB3 PHE 69 HB1 PHE 69 -8.704 -7.254 1.699 561 HD1 PHE 69 HD1 PHE 69 -9.682 -5.126 0.947 562 HD2 PHE 69 HD2 PHE 69 -6.303 -5.218 3.600 563 HE1 PHE 69 HE1 PHE 69 -9.254 -2.725 0.490 564 HE2 PHE 69 HE2 PHE 69 -5.880 -2.817 3.145 565 HZ PHE 69 HZ PHE 69 -7.354 -1.571 1.589 566 H ILE 70 HN ILE 70 -7.486 -7.716 5.410 567 HA ILE 70 HA ILE 70 -7.391 -5.130 6.915 568 HB ILE 70 HB ILE 70 -7.335 -7.942 8.055 569 HG12 ILE 70 HG12 ILE 70 -9.202 -5.622 8.636 570 HG13 ILE 70 HG11 ILE 70 -9.576 -6.900 7.481 571 HG21 ILE 70 HG21 ILE 70 -6.732 -5.236 9.263 572 HG22 ILE 70 HG22 ILE 70 -5.719 -6.673 9.272 573 HG23 ILE 70 HG23 ILE 70 -7.186 -6.624 10.251 574 HD11 ILE 70 HD11 ILE 70 -9.057 -7.237 10.449 575 HD12 ILE 70 HD12 ILE 70 -9.245 -8.578 9.320 576 HD13 ILE 70 HD13 ILE 70 -10.590 -7.477 9.612 577 H LEU 71 HN LEU 71 -5.332 -4.412 7.316 578 HA LEU 71 HA LEU 71 -3.097 -6.034 6.184 579 HB2 LEU 71 HB2 LEU 71 -3.218 -3.111 6.971 580 HB3 LEU 71 HB1 LEU 71 -1.872 -3.901 6.149 581 HG LEU 71 HG LEU 71 -4.698 -3.658 5.073 582 HD11 LEU 71 HD11 LEU 71 -3.674 -1.507 4.949 583 HD12 LEU 71 HD12 LEU 71 -3.478 -2.218 3.347 584 HD13 LEU 71 HD13 LEU 71 -2.121 -2.194 4.471 585 HD21 LEU 71 HD21 LEU 71 -3.884 -5.615 4.078 586 HD22 LEU 71 HD22 LEU 71 -2.211 -5.055 4.108 587 HD23 LEU 71 HD23 LEU 71 -3.343 -4.398 2.928 588 H TYR 72 HN TYR 72 -1.674 -6.969 7.473 589 HA TYR 72 HA TYR 72 -1.516 -6.123 10.350 590 HB2 TYR 72 HB2 TYR 72 -1.188 -8.859 9.091 591 HB3 TYR 72 HB1 TYR 72 -0.838 -8.496 10.781 592 HD1 TYR 72 HD1 TYR 72 -2.712 -7.394 12.168 593 HD2 TYR 72 HD2 TYR 72 -3.390 -9.410 8.438 594 HE1 TYR 72 HE1 TYR 72 -5.109 -7.649 12.744 595 HE2 TYR 72 HE2 TYR 72 -5.789 -9.667 9.014 596 HH TYR 72 HH TYR 72 -6.995 -9.090 12.154 597 H TYR 73 HN TYR 73 0.535 -6.036 11.268 598 HA TYR 73 HA TYR 73 2.878 -6.475 9.466 599 HB2 TYR 73 HB2 TYR 73 2.387 -4.087 9.377 600 HB3 TYR 73 HB1 TYR 73 2.328 -4.011 11.140 601 HD1 TYR 73 HD1 TYR 73 4.602 -5.159 8.387 602 HD2 TYR 73 HD2 TYR 73 4.274 -3.381 12.283 603 HE1 TYR 73 HE1 TYR 73 7.058 -4.826 8.441 604 HE2 TYR 73 HE2 TYR 73 6.730 -3.047 12.337 605 HH TYR 73 HH TYR 73 8.614 -2.909 9.960 606 H GLN 74 HN GLN 74 3.617 -8.229 10.553 607 HA GLN 74 HA GLN 74 4.671 -9.463 12.228 608 HB2 GLN 74 HB2 GLN 74 6.150 -7.436 12.277 609 HB3 GLN 74 HB1 GLN 74 5.131 -6.776 13.556 610 HG2 GLN 74 HG2 GLN 74 5.593 -8.758 14.953 611 HG3 GLN 74 HG1 GLN 74 6.625 -9.410 13.680 612 HE21 GLN 74 HE21 GLN 74 7.693 -8.851 16.260 613 HE22 GLN 74 HE22 GLN 74 8.768 -7.544 16.131 614 H LYS 75 HN LYS 75 3.200 -6.803 14.118 615 HA LYS 75 HA LYS 75 1.186 -8.624 15.214 616 HB2 LYS 75 HB2 LYS 75 1.955 -8.384 17.560 617 HB3 LYS 75 HB1 LYS 75 3.147 -9.223 16.570 618 HG2 LYS 75 HG2 LYS 75 4.430 -7.140 16.314 619 HG3 LYS 75 HG1 LYS 75 3.219 -6.270 17.249 620 HD2 LYS 75 HD2 LYS 75 4.957 -6.770 18.795 621 HD3 LYS 75 HD1 LYS 75 3.667 -7.918 19.138 622 HE2 LYS 75 HE2 LYS 75 4.818 -9.701 18.070 623 HE3 LYS 75 HE1 LYS 75 5.940 -8.605 17.265 624 HZ1 LYS 75 HZ1 LYS 75 6.206 -9.841 19.751 625 HZ2 LYS 75 HZ2 LYS 75 6.082 -8.168 20.024 626 HZ3 LYS 75 HZ3 LYS 75 7.286 -8.777 18.988 627 H GLN 76 HN GLN 76 1.915 -5.744 14.043 628 HA GLN 76 HA GLN 76 0.116 -4.222 15.913 629 HB2 GLN 76 HB2 GLN 76 2.402 -3.291 14.173 630 HB3 GLN 76 HB1 GLN 76 1.232 -2.178 14.884 631 HG2 GLN 76 HG2 GLN 76 1.791 -3.020 17.132 632 HG3 GLN 76 HG1 GLN 76 2.946 -4.145 16.424 633 HE21 GLN 76 HE21 GLN 76 2.737 -1.116 17.848 634 HE22 GLN 76 HE22 GLN 76 4.160 -0.434 17.223 635 H LEU 77 HN LEU 77 -1.702 -3.323 15.083 636 HA LEU 77 HA LEU 77 -2.549 -4.100 12.424 637 HB2 LEU 77 HB2 LEU 77 -4.205 -3.915 14.199 638 HB3 LEU 77 HB1 LEU 77 -3.789 -2.223 14.460 639 HG LEU 77 HG LEU 77 -4.612 -1.632 12.232 640 HD11 LEU 77 HD11 LEU 77 -4.845 -4.627 11.952 641 HD12 LEU 77 HD12 LEU 77 -4.135 -3.460 10.837 642 HD13 LEU 77 HD13 LEU 77 -5.885 -3.567 11.002 643 HD21 LEU 77 HD21 LEU 77 -6.670 -3.447 13.508 644 HD22 LEU 77 HD22 LEU 77 -6.948 -1.950 12.617 645 HD23 LEU 77 HD23 LEU 77 -6.201 -1.900 14.213 646 H ILE 78 HN ILE 78 -2.415 -2.937 10.549 647 HA ILE 78 HA ILE 78 -1.099 -0.258 10.681 648 HB ILE 78 HB ILE 78 -1.625 -2.051 8.302 649 HG12 ILE 78 HG12 ILE 78 -0.130 -3.161 9.878 650 HG13 ILE 78 HG11 ILE 78 0.797 -2.601 8.490 651 HG21 ILE 78 HG21 ILE 78 0.005 0.459 8.713 652 HG22 ILE 78 HG22 ILE 78 -1.309 0.201 7.564 653 HG23 ILE 78 HG23 ILE 78 0.239 -0.612 7.333 654 HD11 ILE 78 HD11 ILE 78 0.783 -1.561 11.307 655 HD12 ILE 78 HD12 ILE 78 1.162 -0.442 10.000 656 HD13 ILE 78 HD13 ILE 78 2.153 -1.876 10.244 657 H ALA 79 HN ALA 79 -3.754 -1.819 8.817 658 HA ALA 79 HA ALA 79 -5.461 0.505 9.298 659 HB1 ALA 79 HB1 ALA 79 -4.697 0.014 6.420 660 HB2 ALA 79 HB2 ALA 79 -3.821 1.165 7.426 661 HB3 ALA 79 HB3 ALA 79 -5.541 1.400 7.111 662 H ILE 80 HN ILE 80 -7.599 0.230 8.367 663 HA ILE 80 HA ILE 80 -8.199 -2.544 7.404 664 HB ILE 80 HB ILE 80 -9.713 -0.975 9.509 665 HG12 ILE 80 HG12 ILE 80 -8.389 -3.686 9.682 666 HG13 ILE 80 HG11 ILE 80 -7.571 -2.198 10.149 667 HG21 ILE 80 HG21 ILE 80 -10.303 -3.550 8.035 668 HG22 ILE 80 HG22 ILE 80 -11.324 -2.117 8.160 669 HG23 ILE 80 HG23 ILE 80 -11.066 -3.141 9.572 670 HD11 ILE 80 HD11 ILE 80 -10.241 -3.040 11.291 671 HD12 ILE 80 HD12 ILE 80 -9.178 -1.760 11.875 672 HD13 ILE 80 HD13 ILE 80 -8.701 -3.449 12.045 673 H GLY 81 HN GLY 81 -9.627 -2.601 5.701 674 HA2 GLY 81 HA2 GLY 81 -11.567 -0.512 5.220 675 HA3 GLY 81 HA1 GLY 81 -10.153 -0.280 4.190 676 H PHE 82 HN PHE 82 -12.435 -0.758 2.877 677 HA PHE 82 HA PHE 82 -12.001 -3.485 1.795 678 HB2 PHE 82 HB2 PHE 82 -14.464 -3.886 1.733 679 HB3 PHE 82 HB1 PHE 82 -13.841 -3.774 3.378 680 HD1 PHE 82 HD2 PHE 82 -14.123 -1.664 4.684 681 HD2 PHE 82 HD1 PHE 82 -16.046 -2.274 0.892 682 HE1 PHE 82 HE2 PHE 82 -15.704 0.176 5.189 683 HE2 PHE 82 HE1 PHE 82 -17.628 -0.423 1.415 684 HZ PHE 82 HZ PHE 82 -17.457 0.791 3.550 685 H ILE 83 HN ILE 83 -12.713 -3.723 -0.383 686 HA ILE 83 HA ILE 83 -12.907 -1.104 -1.811 687 HB ILE 83 HB ILE 83 -12.343 -3.799 -3.052 688 HG12 ILE 83 HG12 ILE 83 -10.428 -1.857 -1.717 689 HG13 ILE 83 HG11 ILE 83 -10.692 -3.549 -1.298 690 HG21 ILE 83 HG21 ILE 83 -11.452 -2.517 -4.845 691 HG22 ILE 83 HG22 ILE 83 -11.381 -1.050 -3.868 692 HG23 ILE 83 HG23 ILE 83 -12.939 -1.683 -4.399 693 HD11 ILE 83 HD11 ILE 83 -8.686 -3.524 -2.587 694 HD12 ILE 83 HD12 ILE 83 -9.383 -2.435 -3.786 695 HD13 ILE 83 HD13 ILE 83 -9.939 -4.106 -3.683 696 H ASP 84 HN ASP 84 -14.863 -0.540 -2.600 697 HA ASP 84 HA ASP 84 -17.001 -2.586 -2.762 698 HB2 ASP 84 HB2 ASP 84 -17.065 0.416 -3.130 699 HB3 ASP 84 HB1 ASP 84 -18.474 -0.645 -3.023 700 H GLU 85 HN GLU 85 -18.082 -3.088 -4.594 701 HA GLU 85 HA GLU 85 -18.202 -3.678 -6.846 702 HB2 GLU 85 HB2 GLU 85 -17.681 -0.703 -7.034 703 HB3 GLU 85 HB1 GLU 85 -18.151 -1.709 -8.408 704 HG2 GLU 85 HG2 GLU 85 -20.210 -2.361 -7.271 705 HG3 GLU 85 HG1 GLU 85 -19.736 -1.449 -5.838 706 H ASN 86 HN ASN 86 -16.191 -1.334 -8.202 707 HA ASN 86 HA ASN 86 -13.910 -3.284 -8.357 708 HB2 ASN 86 HB2 ASN 86 -13.499 -2.439 -10.610 709 HB3 ASN 86 HB1 ASN 86 -15.170 -2.986 -10.483 710 HD21 ASN 86 HD21 ASN 86 -15.237 -1.372 -12.458 711 HD22 ASN 86 HD22 ASN 86 -15.610 0.240 -12.080 712 H HIS 87 HN HIS 87 -14.729 -0.510 -6.845 713 HA HIS 87 HA HIS 87 -11.937 0.277 -6.545 714 HB2 HIS 87 HB2 HIS 87 -12.818 1.398 -8.730 715 HB3 HIS 87 HB1 HIS 87 -13.742 2.437 -7.647 716 HD1 HIS 87 HD1 HIS 87 -12.525 4.476 -6.874 717 HD2 HIS 87 HD2 HIS 87 -9.891 1.417 -7.912 718 HE1 HIS 87 HE1 HIS 87 -10.188 5.417 -6.597 719 H ASP 88 HN ASP 88 -12.675 3.017 -5.779 720 HA ASP 88 HA ASP 88 -13.379 4.207 -3.912 721 HB2 ASP 88 HB2 ASP 88 -15.639 3.373 -4.689 722 HB3 ASP 88 HB1 ASP 88 -15.474 2.053 -3.533 723 H MET 89 HN MET 89 -11.640 3.954 -2.562 724 HA MET 89 HA MET 89 -11.378 1.477 -0.953 725 HB2 MET 89 HB2 MET 89 -9.630 3.958 -1.074 726 HB3 MET 89 HB1 MET 89 -9.223 2.447 -0.256 727 HG2 MET 89 HG2 MET 89 -9.764 2.735 -3.229 728 HG3 MET 89 HG1 MET 89 -8.167 2.584 -2.503 729 HE1 MET 89 HE1 MET 89 -7.420 0.902 -1.084 730 HE2 MET 89 HE2 MET 89 -7.749 -0.817 -1.270 731 HE3 MET 89 HE3 MET 89 -8.711 0.138 -0.145 732 H ASP 90 HN ASP 90 -12.805 1.480 0.705 733 HA ASP 90 HA ASP 90 -13.251 3.979 2.267 734 HB2 ASP 90 HB2 ASP 90 -15.180 2.558 1.421 735 HB3 ASP 90 HB1 ASP 90 -14.659 1.318 2.564 736 H PHE 91 HN PHE 91 -11.909 4.239 3.963 737 HA PHE 91 HA PHE 91 -10.839 1.820 5.370 738 HB2 PHE 91 HB2 PHE 91 -9.877 4.697 5.378 739 HB3 PHE 91 HB1 PHE 91 -9.119 3.362 6.250 740 HD1 PHE 91 HD1 PHE 91 -8.174 1.418 4.971 741 HD2 PHE 91 HD2 PHE 91 -9.521 5.006 3.035 742 HE1 PHE 91 HE1 PHE 91 -6.910 0.790 2.936 743 HE2 PHE 91 HE2 PHE 91 -8.255 4.380 0.995 744 HZ PHE 91 HZ PHE 91 -6.948 2.272 0.945 745 H LEU 92 HN LEU 92 -11.546 1.402 7.371 746 HA LEU 92 HA LEU 92 -13.307 3.380 8.744 747 HB2 LEU 92 HB2 LEU 92 -12.752 0.488 9.462 748 HB3 LEU 92 HB1 LEU 92 -14.082 1.491 10.040 749 HG LEU 92 HG LEU 92 -13.639 0.634 7.164 750 HD11 LEU 92 HD11 LEU 92 -15.681 -0.722 7.527 751 HD12 LEU 92 HD12 LEU 92 -15.698 -0.229 9.220 752 HD13 LEU 92 HD13 LEU 92 -14.375 -1.219 8.605 753 HD21 LEU 92 HD21 LEU 92 -14.748 2.716 7.052 754 HD22 LEU 92 HD22 LEU 92 -15.667 2.410 8.524 755 HD23 LEU 92 HD23 LEU 92 -16.075 1.558 7.038 756 H TYR 93 HN TYR 93 -10.190 1.874 8.887 757 HA TYR 93 HA TYR 93 -9.538 3.514 11.264 758 HB2 TYR 93 HB2 TYR 93 -10.235 1.357 12.229 759 HB3 TYR 93 HB1 TYR 93 -9.088 0.515 11.187 760 HD1 TYR 93 HD2 TYR 93 -9.324 3.145 13.825 761 HD2 TYR 93 HD1 TYR 93 -6.825 0.274 11.837 762 HE1 TYR 93 HE2 TYR 93 -7.528 3.560 15.484 763 HE2 TYR 93 HE1 TYR 93 -5.028 0.690 13.496 764 HH TYR 93 HH TYR 93 -4.402 1.854 15.272 765 H LEU 94 HN LEU 94 -7.770 4.585 10.651 766 HA LEU 94 HA LEU 94 -5.769 3.190 8.908 767 HB2 LEU 94 HB2 LEU 94 -6.945 5.128 7.843 768 HB3 LEU 94 HB1 LEU 94 -6.316 6.165 9.123 769 HG LEU 94 HG LEU 94 -4.007 5.575 8.464 770 HD11 LEU 94 HD11 LEU 94 -3.960 3.485 7.481 771 HD12 LEU 94 HD12 LEU 94 -3.979 4.464 6.020 772 HD13 LEU 94 HD13 LEU 94 -5.470 3.731 6.605 773 HD21 LEU 94 HD21 LEU 94 -5.429 6.436 5.946 774 HD22 LEU 94 HD22 LEU 94 -3.916 7.035 6.623 775 HD23 LEU 94 HD23 LEU 94 -5.449 7.471 7.374 776 H HIS 95 HN HIS 95 -3.872 2.820 9.884 777 HA HIS 95 HA HIS 95 -2.925 4.703 12.007 778 HB2 HIS 95 HB2 HIS 95 -3.845 2.793 13.198 779 HB3 HIS 95 HB1 HIS 95 -2.971 1.673 12.151 780 HD1 HIS 95 HD1 HIS 95 -2.640 3.563 15.260 781 HD2 HIS 95 HD2 HIS 95 -0.020 1.989 12.427 782 HE1 HIS 95 HE1 HIS 95 -0.354 3.503 16.349 783 H ASN 96 HN ASN 96 -1.153 5.557 11.054 784 HA ASN 96 HA ASN 96 0.603 3.808 9.385 785 HB2 ASN 96 HB2 ASN 96 -0.178 5.957 8.416 786 HB3 ASN 96 HB1 ASN 96 0.606 6.819 9.741 787 HD21 ASN 96 HD21 ASN 96 2.910 7.067 9.660 788 HD22 ASN 96 HD22 ASN 96 3.846 6.530 8.351 789 H THR 97 HN THR 97 1.840 2.735 10.886 790 HA THR 97 HA THR 97 3.180 2.455 12.844 791 HB THR 97 HB THR 97 5.417 3.483 12.359 792 HG1 THR 97 HG1 THR 97 3.966 5.234 11.109 793 HG21 THR 97 HG21 THR 97 3.837 2.074 10.205 794 HG22 THR 97 HG22 THR 97 4.993 1.381 11.343 795 HG23 THR 97 HG23 THR 97 5.558 2.407 10.025 796 H VAL 98 HN VAL 98 1.537 3.726 14.155 797 HA VAL 98 HA VAL 98 1.145 5.218 15.891 798 HB VAL 98 HB VAL 98 4.085 5.909 15.708 799 HG11 VAL 98 HG11 VAL 98 2.018 5.949 17.920 800 HG12 VAL 98 HG12 VAL 98 2.874 7.330 17.233 801 HG13 VAL 98 HG13 VAL 98 3.749 6.138 18.193 802 HG21 VAL 98 HG21 VAL 98 2.664 3.567 17.001 803 HG22 VAL 98 HG22 VAL 98 4.342 4.001 17.325 804 HG23 VAL 98 HG23 VAL 98 3.858 3.487 15.709 805 H MET 99 HN MET 99 0.192 6.210 13.737 806 HA MET 99 HA MET 99 0.330 9.041 14.067 807 HB2 MET 99 HB2 MET 99 2.496 8.796 12.869 808 HB3 MET 99 HB1 MET 99 1.653 8.023 11.531 809 HG2 MET 99 HG2 MET 99 0.718 10.006 10.790 810 HG3 MET 99 HG1 MET 99 0.610 10.687 12.414 811 HE1 MET 99 HE1 MET 99 2.985 10.901 13.838 812 HE2 MET 99 HE2 MET 99 2.039 12.307 13.347 813 HE3 MET 99 HE3 MET 99 3.794 12.337 13.190 814 HA PRO 100 HA PRO 100 -3.265 7.062 11.747 815 HB2 PRO 100 HB2 PRO 100 -4.867 8.241 13.958 816 HB3 PRO 100 HB1 PRO 100 -4.883 6.586 13.318 817 HG2 PRO 100 HG2 PRO 100 -3.826 7.157 15.716 818 HG3 PRO 100 HG1 PRO 100 -3.143 5.901 14.666 819 HD2 PRO 100 HD2 PRO 100 -2.162 8.707 15.128 820 HD3 PRO 100 HD1 PRO 100 -1.239 7.198 14.991 821 H LEU 101 HN LEU 101 -4.428 8.253 10.261 822 HA LEU 101 HA LEU 101 -4.406 11.240 10.547 823 HB2 LEU 101 HB2 LEU 101 -4.753 9.610 8.024 824 HB3 LEU 101 HB1 LEU 101 -4.423 11.338 8.144 825 HG LEU 101 HG LEU 101 -2.567 9.108 9.038 826 HD11 LEU 101 HD11 LEU 101 -1.165 9.812 7.169 827 HD12 LEU 101 HD12 LEU 101 -2.307 11.092 6.759 828 HD13 LEU 101 HD13 LEU 101 -2.773 9.401 6.570 829 HD21 LEU 101 HD21 LEU 101 -2.098 10.908 10.491 830 HD22 LEU 101 HD22 LEU 101 -2.448 12.120 9.259 831 HD23 LEU 101 HD23 LEU 101 -0.963 11.173 9.170 832 H LEU 102 HN LEU 102 -6.424 8.404 10.141 833 HA LEU 102 HA LEU 102 -8.784 10.122 10.575 834 HB2 LEU 102 HB2 LEU 102 -8.327 9.768 8.022 835 HB3 LEU 102 HB1 LEU 102 -8.907 8.127 8.311 836 HG LEU 102 HG LEU 102 -10.433 10.655 9.013 837 HD11 LEU 102 HD11 LEU 102 -10.736 8.718 6.708 838 HD12 LEU 102 HD12 LEU 102 -10.282 10.419 6.610 839 HD13 LEU 102 HD13 LEU 102 -11.907 9.970 7.125 840 HD21 LEU 102 HD21 LEU 102 -12.331 8.843 9.100 841 HD22 LEU 102 HD22 LEU 102 -11.245 9.005 10.476 842 HD23 LEU 102 HD23 LEU 102 -10.999 7.705 9.308 843 H ASP 103 HN ASP 103 -9.649 9.166 12.320 844 HA ASP 103 HA ASP 103 -10.307 6.283 12.220 845 HB2 ASP 103 HB2 ASP 103 -8.154 6.221 13.338 846 HB3 ASP 103 HB1 ASP 103 -8.625 7.540 14.409 847 H GLN 104 HN GLN 104 -12.493 6.690 12.320 848 HA GLN 104 HA GLN 104 -13.507 8.417 14.552 849 HB2 GLN 104 HB2 GLN 104 -14.700 7.685 11.871 850 HB3 GLN 104 HB1 GLN 104 -15.620 8.482 13.150 851 HG2 GLN 104 HG2 GLN 104 -14.000 10.327 13.191 852 HG3 GLN 104 HG1 GLN 104 -13.042 9.530 11.943 853 HE21 GLN 104 HE21 GLN 104 -15.379 11.889 12.370 854 HE22 GLN 104 HE22 GLN 104 -16.053 11.881 10.812 855 H ARG 105 HN ARG 105 -14.205 7.283 16.213 856 HA ARG 105 HA ARG 105 -14.769 4.468 16.198 857 HB2 ARG 105 HB2 ARG 105 -15.460 6.696 18.127 858 HB3 ARG 105 HB1 ARG 105 -15.802 4.998 18.460 859 HG2 ARG 105 HG2 ARG 105 -13.406 4.466 18.240 860 HG3 ARG 105 HG1 ARG 105 -13.061 6.154 17.869 861 HD2 ARG 105 HD2 ARG 105 -13.909 6.833 20.070 862 HD3 ARG 105 HD1 ARG 105 -14.299 5.159 20.453 863 HE ARG 105 HE ARG 105 -11.585 6.332 20.348 864 HH11 ARG 105 HH21 ARG 105 -13.623 3.546 20.597 865 HH12 ARG 105 HH22 ARG 105 -12.376 2.542 21.252 866 HH21 ARG 105 HH11 ARG 105 -9.966 5.028 21.196 867 HH22 ARG 105 HH12 ARG 105 -10.310 3.377 21.589 868 H TYR 106 HN TYR 106 -16.732 7.357 15.848 869 HA TYR 106 HA TYR 106 -19.322 6.195 16.101 870 HB2 TYR 106 HB2 TYR 106 -18.448 8.488 14.317 871 HB3 TYR 106 HB1 TYR 106 -20.094 8.177 14.874 872 HD1 TYR 106 HD2 TYR 106 -20.643 8.359 17.304 873 HD2 TYR 106 HD1 TYR 106 -16.812 9.518 15.747 874 HE1 TYR 106 HE2 TYR 106 -20.166 9.597 19.399 875 HE2 TYR 106 HE1 TYR 106 -16.332 10.755 17.842 876 HH TYR 106 HH TYR 106 -17.088 10.662 20.242 877 H LEU 107 HN LEU 107 -17.200 6.611 13.283 878 HA LEU 107 HA LEU 107 -19.014 5.524 11.352 879 HB2 LEU 107 HB2 LEU 107 -16.974 6.793 10.734 880 HB3 LEU 107 HB1 LEU 107 -15.978 5.485 11.370 881 HG LEU 107 HG LEU 107 -16.961 3.933 9.713 882 HD11 LEU 107 HD11 LEU 107 -18.620 6.357 9.078 883 HD12 LEU 107 HD12 LEU 107 -19.105 4.668 9.196 884 HD13 LEU 107 HD13 LEU 107 -18.227 5.230 7.778 885 HD21 LEU 107 HD21 LEU 107 -14.901 5.268 9.193 886 HD22 LEU 107 HD22 LEU 107 -15.926 6.466 8.399 887 HD23 LEU 107 HD23 LEU 107 -15.826 4.826 7.757 888 H LEU 108 HN LEU 108 -16.496 4.045 13.363 889 HA LEU 108 HA LEU 108 -16.737 1.389 12.323 890 HB2 LEU 108 HB2 LEU 108 -15.752 2.547 14.923 891 HB3 LEU 108 HB1 LEU 108 -15.818 0.801 14.697 892 HG LEU 108 HG LEU 108 -14.459 2.570 12.656 893 HD11 LEU 108 HD11 LEU 108 -13.182 1.368 15.136 894 HD12 LEU 108 HD12 LEU 108 -13.446 3.088 14.853 895 HD13 LEU 108 HD13 LEU 108 -12.327 2.189 13.831 896 HD21 LEU 108 HD21 LEU 108 -14.243 -0.348 13.476 897 HD22 LEU 108 HD22 LEU 108 -13.081 0.434 12.409 898 HD23 LEU 108 HD23 LEU 108 -14.766 0.293 11.920 899 H THR 109 HN THR 109 -18.376 3.065 14.973 900 HA THR 109 HA THR 109 -20.052 0.676 15.512 901 HB THR 109 HB THR 109 -20.897 1.964 17.411 902 HG1 THR 109 HG1 THR 109 -20.479 4.076 17.624 903 HG21 THR 109 HG21 THR 109 -18.777 2.323 18.616 904 HG22 THR 109 HG22 THR 109 -17.900 2.289 17.086 905 HG23 THR 109 HG23 THR 109 -18.717 0.838 17.667 906 H GLY 110 HN GLY 110 -20.064 3.130 13.322 907 HA2 GLY 110 HA2 GLY 110 -21.791 3.571 11.733 908 HA3 GLY 110 HA1 GLY 110 -22.954 2.793 12.805 909 H GLY 111 HN GLY 111 -21.163 5.757 12.209 910 HA2 GLY 111 HA2 GLY 111 -22.325 7.273 14.372 911 HA3 GLY 111 HA1 GLY 111 -21.503 7.954 12.970 912 H GLN 112 HN GLN 112 -23.999 8.814 14.291 913 HA GLN 112 HA GLN 112 -26.176 8.155 12.460 914 HB2 GLN 112 HB2 GLN 112 -27.461 9.784 13.777 915 HB3 GLN 112 HB1 GLN 112 -26.605 8.662 14.832 916 HG2 GLN 112 HG2 GLN 112 -24.785 10.341 15.102 917 HG3 GLN 112 HG1 GLN 112 -25.713 11.474 14.118 918 HE21 GLN 112 HE21 GLN 112 -25.689 12.841 16.183 919 HE22 GLN 112 HE22 GLN 112 -26.865 12.521 17.364 920 H LEU 113 HN LEU 113 -27.056 9.494 10.888 921 HA LEU 113 HA LEU 113 -25.223 11.226 9.517 922 HB2 LEU 113 HB2 LEU 113 -26.938 9.970 8.313 923 HB3 LEU 113 HB1 LEU 113 -28.209 10.845 9.164 924 HG LEU 113 HG LEU 113 -27.476 12.956 8.138 925 HD11 LEU 113 HD11 LEU 113 -25.247 11.207 7.115 926 HD12 LEU 113 HD12 LEU 113 -25.166 12.823 7.816 927 HD13 LEU 113 HD13 LEU 113 -25.754 12.609 6.169 928 HD21 LEU 113 HD21 LEU 113 -28.204 12.497 5.884 929 HD22 LEU 113 HD22 LEU 113 -29.082 11.408 6.957 930 HD23 LEU 113 HD23 LEU 113 -27.717 10.806 6.013 931 H GLU 114 HN GLU 114 -25.022 13.423 9.535 932 HA GLU 114 HA GLU 114 -25.841 14.952 11.756 933 HB2 GLU 114 HB2 GLU 114 -24.024 15.566 10.135 934 HB3 GLU 114 HB1 GLU 114 -25.274 16.023 8.978 935 HG2 GLU 114 HG2 GLU 114 -24.579 18.033 10.118 936 HG3 GLU 114 HG1 GLU 114 -26.181 17.618 10.726 937 H HIS 115 HN HIS 115 -27.547 16.352 12.126 938 HA HIS 115 HA HIS 115 -29.942 15.926 10.411 939 HB2 HIS 115 HB2 HIS 115 -29.633 17.115 13.182 940 HB3 HIS 115 HB1 HIS 115 -31.166 16.886 12.342 941 HD1 HIS 115 HD1 HIS 115 -31.747 14.332 11.688 942 HD2 HIS 115 HD2 HIS 115 -28.718 14.842 14.505 943 HE1 HIS 115 HE1 HIS 115 -31.439 12.088 12.822 944 H HIS 116 HN HIS 116 -30.556 17.478 9.057 945 HA HIS 116 HA HIS 116 -29.491 20.258 9.393 946 HB2 HIS 116 HB2 HIS 116 -28.859 19.113 7.291 947 HB3 HIS 116 HB1 HIS 116 -30.564 18.836 6.936 948 HD1 HIS 116 HD1 HIS 116 -31.987 20.870 6.213 949 HD2 HIS 116 HD2 HIS 116 -27.998 21.810 6.967 950 HE1 HIS 116 HE1 HIS 116 -31.625 23.216 5.329 951 H HIS 117 HN HIS 117 -32.110 18.511 10.174 952 HA HIS 117 HA HIS 117 -34.219 20.281 9.147 953 HB2 HIS 117 HB2 HIS 117 -35.750 18.821 10.278 954 HB3 HIS 117 HB1 HIS 117 -34.493 17.782 9.613 955 HD1 HIS 117 HD1 HIS 117 -36.105 16.807 12.039 956 HD2 HIS 117 HD2 HIS 117 -32.504 18.881 12.379 957 HE1 HIS 117 HE1 HIS 117 -35.156 16.228 14.316 958 H HIS 118 HN HIS 118 -31.899 20.887 11.216 959 HA HIS 118 HA HIS 118 -31.634 22.210 13.140 960 HB2 HIS 118 HB2 HIS 118 -34.105 23.457 11.910 961 HB3 HIS 118 HB1 HIS 118 -33.147 24.195 13.194 962 HD1 HIS 118 HD1 HIS 118 -33.117 23.441 9.538 963 HD2 HIS 118 HD2 HIS 118 -30.539 25.071 12.380 964 HE1 HIS 118 HE1 HIS 118 -31.229 24.534 8.250 965 H HIS 119 HN HIS 119 -33.109 23.297 14.989 966 HA HIS 119 HA HIS 119 -35.332 21.556 15.837 967 HB2 HIS 119 HB2 HIS 119 -33.262 20.374 16.611 968 HB3 HIS 119 HB1 HIS 119 -32.806 21.830 17.497 969 HD1 HIS 119 HD1 HIS 119 -34.273 22.493 19.559 970 HD2 HIS 119 HD2 HIS 119 -35.346 18.873 17.795 971 HE1 HIS 119 HE1 HIS 119 -35.830 21.337 21.188 972 H HIS 120 HN HIS 120 -33.014 24.074 16.823 973 HA HIS 120 HA HIS 120 -33.333 26.056 18.045 974 HB2 HIS 120 HB2 HIS 120 -35.965 25.965 16.530 975 HB3 HIS 120 HB1 HIS 120 -35.294 27.390 17.325 976 HD1 HIS 120 HD1 HIS 120 -32.807 28.111 16.413 977 HD2 HIS 120 HD2 HIS 120 -35.050 25.620 13.934 978 HE1 HIS 120 HE1 HIS 120 -31.769 28.270 14.107 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -13.103 -11.025 19.538 2 H2 MET 1 HT2 MET 1 -14.501 -11.646 20.278 3 H3 MET 1 HT3 MET 1 -13.117 -11.321 21.208 4 HA MET 1 HA MET 1 -15.007 -9.412 19.981 5 HB2 MET 1 HB2 MET 1 -15.387 -10.236 22.301 6 HB3 MET 1 HB1 MET 1 -13.790 -9.638 22.752 7 HG2 MET 1 HG2 MET 1 -14.452 -7.353 22.169 8 HG3 MET 1 HG1 MET 1 -16.032 -7.928 21.634 9 HE1 MET 1 HE1 MET 1 -18.116 -8.437 24.602 10 HE2 MET 1 HE2 MET 1 -17.563 -9.472 23.290 11 HE3 MET 1 HE3 MET 1 -17.977 -7.792 22.961 12 H THR 2 HN THR 2 -13.322 -8.751 18.396 13 HA THR 2 HA THR 2 -11.510 -6.724 19.607 14 HB THR 2 HB THR 2 -10.100 -8.702 19.327 15 HG1 THR 2 HG1 THR 2 -9.512 -7.089 17.108 16 HG21 THR 2 HG21 THR 2 -9.806 -9.734 17.120 17 HG22 THR 2 HG22 THR 2 -10.991 -8.624 16.430 18 HG23 THR 2 HG23 THR 2 -11.497 -9.826 17.617 19 H LEU 3 HN LEU 3 -10.213 -5.964 17.294 20 HA LEU 3 HA LEU 3 -12.144 -4.296 16.016 21 HB2 LEU 3 HB2 LEU 3 -9.348 -5.117 15.188 22 HB3 LEU 3 HB1 LEU 3 -10.274 -3.853 14.384 23 HG LEU 3 HG LEU 3 -9.646 -3.850 17.352 24 HD11 LEU 3 HD11 LEU 3 -7.614 -3.697 15.814 25 HD12 LEU 3 HD12 LEU 3 -7.840 -2.349 16.928 26 HD13 LEU 3 HD13 LEU 3 -8.287 -2.173 15.232 27 HD21 LEU 3 HD21 LEU 3 -11.452 -2.396 17.112 28 HD22 LEU 3 HD22 LEU 3 -11.019 -1.948 15.463 29 HD23 LEU 3 HD23 LEU 3 -10.116 -1.287 16.822 30 H GLU 4 HN GLU 4 -10.640 -7.356 15.021 31 HA GLU 4 HA GLU 4 -11.655 -7.472 12.381 32 HB2 GLU 4 HB2 GLU 4 -11.180 -9.734 14.348 33 HB3 GLU 4 HB1 GLU 4 -11.393 -9.933 12.610 34 HG2 GLU 4 HG2 GLU 4 -9.215 -8.252 13.881 35 HG3 GLU 4 HG1 GLU 4 -8.989 -9.901 13.298 36 H LEU 5 HN LEU 5 -13.108 -8.649 15.423 37 HA LEU 5 HA LEU 5 -15.482 -9.689 14.224 38 HB2 LEU 5 HB2 LEU 5 -14.778 -10.224 16.536 39 HB3 LEU 5 HB1 LEU 5 -15.076 -8.553 17.009 40 HG LEU 5 HG LEU 5 -17.467 -8.812 16.415 41 HD11 LEU 5 HD11 LEU 5 -16.504 -11.533 15.550 42 HD12 LEU 5 HD12 LEU 5 -17.604 -10.426 14.726 43 HD13 LEU 5 HD13 LEU 5 -18.161 -11.338 16.124 44 HD21 LEU 5 HD21 LEU 5 -17.988 -10.581 18.202 45 HD22 LEU 5 HD22 LEU 5 -16.968 -9.235 18.707 46 HD23 LEU 5 HD23 LEU 5 -16.244 -10.801 18.338 47 H GLN 6 HN GLN 6 -14.728 -6.489 15.598 48 HA GLN 6 HA GLN 6 -17.347 -5.383 15.238 49 HB2 GLN 6 HB2 GLN 6 -14.624 -4.059 15.362 50 HB3 GLN 6 HB1 GLN 6 -16.151 -3.176 15.383 51 HG2 GLN 6 HG2 GLN 6 -16.835 -4.391 17.415 52 HG3 GLN 6 HG1 GLN 6 -15.317 -5.289 17.394 53 HE21 GLN 6 HE21 GLN 6 -14.087 -4.437 19.090 54 HE22 GLN 6 HE22 GLN 6 -13.825 -2.781 19.356 55 H LEU 7 HN LEU 7 -14.476 -5.453 13.140 56 HA LEU 7 HA LEU 7 -15.508 -3.754 11.099 57 HB2 LEU 7 HB2 LEU 7 -13.141 -4.391 11.209 58 HB3 LEU 7 HB1 LEU 7 -13.564 -6.073 10.900 59 HG LEU 7 HG LEU 7 -14.426 -5.478 8.678 60 HD11 LEU 7 HD11 LEU 7 -13.817 -3.035 7.930 61 HD12 LEU 7 HD12 LEU 7 -13.874 -2.680 9.656 62 HD13 LEU 7 HD13 LEU 7 -15.303 -3.311 8.835 63 HD21 LEU 7 HD21 LEU 7 -12.134 -6.052 8.619 64 HD22 LEU 7 HD22 LEU 7 -11.644 -4.556 9.410 65 HD23 LEU 7 HD23 LEU 7 -12.205 -4.528 7.738 66 H LYS 8 HN LYS 8 -15.675 -7.300 11.488 67 HA LYS 8 HA LYS 8 -17.082 -7.800 9.044 68 HB2 LYS 8 HB2 LYS 8 -17.058 -9.316 11.669 69 HB3 LYS 8 HB1 LYS 8 -17.798 -9.921 10.187 70 HG2 LYS 8 HG2 LYS 8 -15.629 -9.785 9.035 71 HG3 LYS 8 HG1 LYS 8 -14.881 -9.153 10.502 72 HD2 LYS 8 HD2 LYS 8 -15.525 -11.236 11.698 73 HD3 LYS 8 HD1 LYS 8 -16.187 -11.873 10.192 74 HE2 LYS 8 HE2 LYS 8 -13.308 -10.993 10.546 75 HE3 LYS 8 HE1 LYS 8 -13.854 -12.666 10.663 76 HZ1 LYS 8 HZ1 LYS 8 -13.078 -11.446 8.386 77 HZ2 LYS 8 HZ2 LYS 8 -14.769 -11.300 8.299 78 HZ3 LYS 8 HZ3 LYS 8 -14.051 -12.832 8.460 79 H HIS 9 HN HIS 9 -18.186 -7.117 12.347 80 HA HIS 9 HA HIS 9 -20.985 -7.423 11.810 81 HB2 HIS 9 HB2 HIS 9 -19.451 -5.874 13.907 82 HB3 HIS 9 HB1 HIS 9 -21.215 -5.931 13.873 83 HD1 HIS 9 HD1 HIS 9 -21.457 -7.364 16.003 84 HD2 HIS 9 HD2 HIS 9 -19.085 -9.147 13.076 85 HE1 HIS 9 HE1 HIS 9 -21.099 -9.763 16.733 86 H TYR 10 HN TYR 10 -18.825 -4.589 11.728 87 HA TYR 10 HA TYR 10 -20.840 -2.651 11.170 88 HB2 TYR 10 HB2 TYR 10 -18.580 -1.994 11.833 89 HB3 TYR 10 HB1 TYR 10 -17.920 -2.703 10.359 90 HD1 TYR 10 HD2 TYR 10 -18.567 -1.743 8.117 91 HD2 TYR 10 HD1 TYR 10 -19.572 0.177 11.826 92 HE1 TYR 10 HE2 TYR 10 -19.009 0.374 6.902 93 HE2 TYR 10 HE1 TYR 10 -20.017 2.292 10.611 94 HH TYR 10 HH TYR 10 -19.285 2.631 7.185 95 H ILE 11 HN ILE 11 -18.740 -4.498 8.922 96 HA ILE 11 HA ILE 11 -19.853 -3.372 6.537 97 HB ILE 11 HB ILE 11 -18.516 -6.048 7.030 98 HG12 ILE 11 HG12 ILE 11 -17.454 -3.539 5.703 99 HG13 ILE 11 HG11 ILE 11 -17.212 -3.901 7.412 100 HG21 ILE 11 HG21 ILE 11 -19.429 -4.687 4.489 101 HG22 ILE 11 HG22 ILE 11 -19.759 -6.336 5.021 102 HG23 ILE 11 HG23 ILE 11 -18.139 -5.889 4.486 103 HD11 ILE 11 HD11 ILE 11 -15.314 -4.618 5.881 104 HD12 ILE 11 HD12 ILE 11 -16.421 -5.809 5.197 105 HD13 ILE 11 HD13 ILE 11 -15.975 -5.896 6.901 106 H THR 12 HN THR 12 -20.672 -6.323 8.353 107 HA THR 12 HA THR 12 -22.717 -7.206 6.546 108 HB THR 12 HB THR 12 -23.473 -8.591 8.484 109 HG1 THR 12 HG1 THR 12 -21.344 -7.427 9.912 110 HG21 THR 12 HG21 THR 12 -20.575 -8.438 7.686 111 HG22 THR 12 HG22 THR 12 -21.771 -9.676 7.307 112 HG23 THR 12 HG23 THR 12 -21.077 -9.588 8.921 113 H ASN 13 HN ASN 13 -22.724 -4.988 9.297 114 HA ASN 13 HA ASN 13 -25.571 -4.787 9.591 115 HB2 ASN 13 HB2 ASN 13 -23.284 -2.924 10.257 116 HB3 ASN 13 HB1 ASN 13 -24.959 -2.526 10.631 117 HD21 ASN 13 HD21 ASN 13 -22.975 -2.935 12.687 118 HD22 ASN 13 HD22 ASN 13 -23.408 -4.326 13.560 119 H LEU 14 HN LEU 14 -23.271 -2.591 7.936 120 HA LEU 14 HA LEU 14 -25.297 -0.924 6.799 121 HB2 LEU 14 HB2 LEU 14 -22.382 -1.397 6.260 122 HB3 LEU 14 HB1 LEU 14 -23.305 -0.419 5.124 123 HG LEU 14 HG LEU 14 -22.155 0.890 6.961 124 HD11 LEU 14 HD11 LEU 14 -24.474 1.453 5.725 125 HD12 LEU 14 HD12 LEU 14 -23.830 2.477 7.000 126 HD13 LEU 14 HD13 LEU 14 -25.097 1.311 7.368 127 HD21 LEU 14 HD21 LEU 14 -22.869 0.724 9.213 128 HD22 LEU 14 HD22 LEU 14 -22.732 -0.952 8.691 129 HD23 LEU 14 HD23 LEU 14 -24.315 -0.184 8.781 130 H PHE 15 HN PHE 15 -23.578 -3.747 5.489 131 HA PHE 15 HA PHE 15 -25.169 -3.573 2.997 132 HB2 PHE 15 HB2 PHE 15 -22.886 -5.311 3.939 133 HB3 PHE 15 HB1 PHE 15 -23.791 -5.701 2.473 134 HD1 PHE 15 HD1 PHE 15 -23.750 -4.174 0.535 135 HD2 PHE 15 HD2 PHE 15 -21.431 -3.395 4.063 136 HE1 PHE 15 HE1 PHE 15 -22.409 -2.504 -0.717 137 HE2 PHE 15 HE2 PHE 15 -20.090 -1.725 2.814 138 HZ PHE 15 HZ PHE 15 -20.579 -1.279 0.425 139 H ASN 16 HN ASN 16 -25.699 -4.737 6.046 140 HA ASN 16 HA ASN 16 -27.155 -6.353 6.935 141 HB2 ASN 16 HB2 ASN 16 -28.457 -5.793 4.254 142 HB3 ASN 16 HB1 ASN 16 -29.236 -6.664 5.575 143 HD21 ASN 16 HD21 ASN 16 -29.602 -3.815 4.271 144 HD22 ASN 16 HD22 ASN 16 -29.724 -2.800 5.626 145 H LEU 17 HN LEU 17 -24.929 -7.608 6.013 146 HA LEU 17 HA LEU 17 -25.799 -9.816 4.233 147 HB2 LEU 17 HB2 LEU 17 -23.059 -9.313 5.397 148 HB3 LEU 17 HB1 LEU 17 -23.469 -10.362 4.039 149 HG LEU 17 HG LEU 17 -23.849 -7.360 4.113 150 HD11 LEU 17 HD11 LEU 17 -21.983 -7.217 2.605 151 HD12 LEU 17 HD12 LEU 17 -21.906 -8.972 2.445 152 HD13 LEU 17 HD13 LEU 17 -21.463 -8.204 3.970 153 HD21 LEU 17 HD21 LEU 17 -25.507 -8.153 2.645 154 HD22 LEU 17 HD22 LEU 17 -24.505 -9.491 2.085 155 HD23 LEU 17 HD23 LEU 17 -24.154 -7.845 1.559 156 HA PRO 18 HA PRO 18 -26.752 -12.398 7.833 157 HB2 PRO 18 HB2 PRO 18 -25.684 -14.575 6.056 158 HB3 PRO 18 HB1 PRO 18 -27.188 -14.527 6.999 159 HG2 PRO 18 HG2 PRO 18 -27.186 -14.148 4.356 160 HG3 PRO 18 HG1 PRO 18 -28.293 -13.265 5.424 161 HD2 PRO 18 HD2 PRO 18 -25.878 -12.261 3.987 162 HD3 PRO 18 HD1 PRO 18 -27.339 -11.391 4.510 163 H ARG 19 HN ARG 19 -25.532 -12.899 9.588 164 HA ARG 19 HA ARG 19 -22.597 -12.954 9.345 165 HB2 ARG 19 HB2 ARG 19 -23.963 -11.705 11.161 166 HB3 ARG 19 HB1 ARG 19 -24.202 -13.293 11.885 167 HG2 ARG 19 HG2 ARG 19 -22.259 -12.621 12.982 168 HG3 ARG 19 HG1 ARG 19 -21.567 -13.481 11.611 169 HD2 ARG 19 HD2 ARG 19 -21.305 -11.354 10.396 170 HD3 ARG 19 HD1 ARG 19 -22.038 -10.487 11.741 171 HE ARG 19 HE ARG 19 -20.026 -10.766 12.981 172 HH11 ARG 19 HH21 ARG 19 -20.046 -12.555 10.023 173 HH12 ARG 19 HH22 ARG 19 -18.350 -12.899 10.074 174 HH21 ARG 19 HH11 ARG 19 -17.819 -11.212 13.052 175 HH22 ARG 19 HH12 ARG 19 -17.093 -12.142 11.783 176 H ASP 20 HN ASP 20 -25.190 -15.178 9.497 177 HA ASP 20 HA ASP 20 -23.835 -17.331 10.877 178 HB2 ASP 20 HB2 ASP 20 -26.225 -17.260 9.018 179 HB3 ASP 20 HB1 ASP 20 -25.654 -18.737 9.794 180 H GLU 21 HN GLU 21 -23.098 -15.898 8.008 181 HA GLU 21 HA GLU 21 -22.257 -18.439 6.666 182 HB2 GLU 21 HB2 GLU 21 -23.559 -16.808 5.314 183 HB3 GLU 21 HB1 GLU 21 -22.302 -15.602 5.592 184 HG2 GLU 21 HG2 GLU 21 -20.648 -17.012 4.477 185 HG3 GLU 21 HG1 GLU 21 -21.841 -18.296 4.278 186 H LYS 22 HN LYS 22 -20.217 -19.046 7.091 187 HA LYS 22 HA LYS 22 -18.269 -17.157 8.191 188 HB2 LYS 22 HB2 LYS 22 -17.916 -20.050 7.339 189 HB3 LYS 22 HB1 LYS 22 -16.792 -19.113 8.322 190 HG2 LYS 22 HG2 LYS 22 -19.661 -19.706 9.109 191 HG3 LYS 22 HG1 LYS 22 -18.268 -20.624 9.676 192 HD2 LYS 22 HD2 LYS 22 -17.331 -18.358 10.489 193 HD3 LYS 22 HD1 LYS 22 -18.965 -17.739 10.248 194 HE2 LYS 22 HE2 LYS 22 -19.875 -19.393 11.779 195 HE3 LYS 22 HE1 LYS 22 -18.284 -20.132 11.972 196 HZ1 LYS 22 HZ1 LYS 22 -18.371 -17.287 12.471 197 HZ2 LYS 22 HZ2 LYS 22 -17.611 -18.525 13.353 198 HZ3 LYS 22 HZ3 LYS 22 -19.267 -18.217 13.569 199 H TRP 23 HN TRP 23 -16.504 -16.319 7.146 200 HA TRP 23 HA TRP 23 -16.490 -16.568 4.171 201 HB2 TRP 23 HB2 TRP 23 -15.005 -14.579 5.912 202 HB3 TRP 23 HB1 TRP 23 -15.261 -14.486 4.174 203 HD1 TRP 23 HD1 TRP 23 -18.458 -15.575 4.847 204 HE1 TRP 23 HE1 TRP 23 -20.129 -13.717 5.442 205 HE3 TRP 23 HE3 TRP 23 -15.211 -11.817 6.050 206 HZ2 TRP 23 HZ2 TRP 23 -20.107 -10.996 6.303 207 HZ3 TRP 23 HZ3 TRP 23 -16.069 -9.598 6.744 208 HH2 TRP 23 HH2 TRP 23 -18.509 -9.183 6.873 209 H GLU 24 HN GLU 24 -14.260 -16.531 3.170 210 HA GLU 24 HA GLU 24 -12.437 -18.361 4.695 211 HB2 GLU 24 HB2 GLU 24 -13.363 -19.228 2.549 212 HB3 GLU 24 HB1 GLU 24 -12.617 -17.870 1.707 213 HG2 GLU 24 HG2 GLU 24 -10.396 -18.597 2.425 214 HG3 GLU 24 HG1 GLU 24 -11.106 -19.911 3.364 215 H CYS 25 HN CYS 25 -10.644 -17.431 5.437 216 HA CYS 25 HA CYS 25 -9.841 -14.768 4.478 217 HB2 CYS 25 HB2 CYS 25 -8.334 -16.366 6.537 218 HB3 CYS 25 HB1 CYS 25 -8.560 -14.619 6.431 219 HG CYS 25 HG CYS 25 -10.351 -16.459 7.954 220 H GLU 26 HN GLU 26 -8.070 -14.329 3.259 221 HA GLU 26 HA GLU 26 -6.409 -16.648 2.330 222 HB2 GLU 26 HB2 GLU 26 -7.060 -13.991 1.017 223 HB3 GLU 26 HB1 GLU 26 -5.866 -15.129 0.391 224 HG2 GLU 26 HG2 GLU 26 -7.574 -16.861 0.174 225 HG3 GLU 26 HG1 GLU 26 -8.783 -15.791 0.884 226 H SER 27 HN SER 27 -4.454 -16.698 3.239 227 HA SER 27 HA SER 27 -3.295 -14.234 4.423 228 HB2 SER 27 HB2 SER 27 -1.718 -15.765 5.505 229 HB3 SER 27 HB1 SER 27 -3.368 -16.324 5.769 230 HG SER 27 HG SER 27 -2.993 -18.013 4.544 231 H ILE 28 HN ILE 28 -2.263 -13.066 2.867 232 HA ILE 28 HA ILE 28 -0.011 -14.380 1.447 233 HB ILE 28 HB ILE 28 -1.921 -14.450 -0.128 234 HG12 ILE 28 HG12 ILE 28 0.073 -12.313 -0.922 235 HG13 ILE 28 HG11 ILE 28 0.467 -14.029 -0.864 236 HG21 ILE 28 HG21 ILE 28 -1.875 -11.429 -0.067 237 HG22 ILE 28 HG22 ILE 28 -2.995 -12.366 0.923 238 HG23 ILE 28 HG23 ILE 28 -3.060 -12.487 -0.835 239 HD11 ILE 28 HD11 ILE 28 -1.478 -14.434 -2.430 240 HD12 ILE 28 HD12 ILE 28 -0.145 -13.522 -3.136 241 HD13 ILE 28 HD13 ILE 28 -1.607 -12.685 -2.614 242 H GLU 29 HN GLU 29 1.720 -12.994 1.159 243 HA GLU 29 HA GLU 29 1.457 -10.283 2.391 244 HB2 GLU 29 HB2 GLU 29 3.072 -11.860 3.428 245 HB3 GLU 29 HB1 GLU 29 3.928 -11.967 1.890 246 HG2 GLU 29 HG2 GLU 29 4.400 -9.569 1.949 247 HG3 GLU 29 HG1 GLU 29 3.481 -9.407 3.446 248 H GLU 30 HN GLU 30 1.753 -8.506 1.149 249 HA GLU 30 HA GLU 30 3.301 -8.704 -1.373 250 HB2 GLU 30 HB2 GLU 30 0.382 -7.926 -1.239 251 HB3 GLU 30 HB1 GLU 30 1.428 -7.448 -2.575 252 HG2 GLU 30 HG2 GLU 30 1.948 -9.806 -3.034 253 HG3 GLU 30 HG1 GLU 30 0.939 -10.300 -1.679 254 H VAL 31 HN VAL 31 3.679 -6.532 -2.312 255 HA VAL 31 HA VAL 31 4.593 -4.696 -0.318 256 HB VAL 31 HB VAL 31 4.135 -4.127 -3.262 257 HG11 VAL 31 HG11 VAL 31 5.855 -2.470 -2.993 258 HG12 VAL 31 HG12 VAL 31 6.243 -3.047 -1.371 259 HG13 VAL 31 HG13 VAL 31 4.715 -2.220 -1.671 260 HG21 VAL 31 HG21 VAL 31 5.406 -6.215 -2.979 261 HG22 VAL 31 HG22 VAL 31 6.496 -5.412 -1.849 262 HG23 VAL 31 HG23 VAL 31 6.472 -4.928 -3.545 263 H ALA 32 HN ALA 32 3.737 -2.772 0.405 264 HA ALA 32 HA ALA 32 0.913 -2.457 0.509 265 HB1 ALA 32 HB1 ALA 32 2.893 -0.204 0.865 266 HB2 ALA 32 HB2 ALA 32 2.703 -1.475 2.071 267 HB3 ALA 32 HB3 ALA 32 1.343 -0.428 1.673 268 H ASP 33 HN ASP 33 3.354 -1.031 -1.627 269 HA ASP 33 HA ASP 33 1.575 0.860 -2.880 270 HB2 ASP 33 HB2 ASP 33 4.114 0.915 -2.924 271 HB3 ASP 33 HB1 ASP 33 4.045 -0.396 -4.103 272 H ASP 34 HN ASP 34 1.781 -2.531 -3.075 273 HA ASP 34 HA ASP 34 0.709 -2.659 -5.843 274 HB2 ASP 34 HB2 ASP 34 1.478 -4.790 -3.830 275 HB3 ASP 34 HB1 ASP 34 0.774 -5.149 -5.406 276 H ILE 35 HN ILE 35 -0.497 -2.192 -2.763 277 HA ILE 35 HA ILE 35 -3.193 -3.248 -3.554 278 HB ILE 35 HB ILE 35 -3.521 -3.680 -1.071 279 HG12 ILE 35 HG12 ILE 35 -0.494 -3.531 -1.025 280 HG13 ILE 35 HG11 ILE 35 -1.525 -2.234 -0.434 281 HG21 ILE 35 HG21 ILE 35 -1.443 -5.211 -2.657 282 HG22 ILE 35 HG22 ILE 35 -3.168 -5.557 -2.534 283 HG23 ILE 35 HG23 ILE 35 -2.120 -5.797 -1.137 284 HD11 ILE 35 HD11 ILE 35 -0.676 -3.994 1.276 285 HD12 ILE 35 HD12 ILE 35 -1.895 -5.052 0.566 286 HD13 ILE 35 HD13 ILE 35 -2.373 -3.531 1.319 287 H LEU 36 HN LEU 36 -1.281 -0.800 -1.926 288 HA LEU 36 HA LEU 36 -3.739 0.817 -1.422 289 HB2 LEU 36 HB2 LEU 36 -0.962 0.870 -0.257 290 HB3 LEU 36 HB1 LEU 36 -2.084 2.210 -0.038 291 HG LEU 36 HG LEU 36 -2.988 -0.604 0.587 292 HD11 LEU 36 HD11 LEU 36 -0.979 -0.497 1.869 293 HD12 LEU 36 HD12 LEU 36 -2.286 -0.109 2.984 294 HD13 LEU 36 HD13 LEU 36 -1.276 1.179 2.329 295 HD21 LEU 36 HD21 LEU 36 -3.679 2.152 1.668 296 HD22 LEU 36 HD22 LEU 36 -4.357 0.645 2.278 297 HD23 LEU 36 HD23 LEU 36 -4.690 1.152 0.627 298 HA PRO 37 HA PRO 37 -2.381 2.941 -5.251 299 HB2 PRO 37 HB2 PRO 37 -4.401 4.925 -4.258 300 HB3 PRO 37 HB1 PRO 37 -4.215 4.220 -5.878 301 HG2 PRO 37 HG2 PRO 37 -6.145 3.414 -4.214 302 HG3 PRO 37 HG1 PRO 37 -5.327 2.286 -5.309 303 HD2 PRO 37 HD2 PRO 37 -5.028 2.580 -2.349 304 HD3 PRO 37 HD1 PRO 37 -4.844 1.136 -3.374 305 H ASP 38 HN ASP 38 -1.100 4.770 -5.687 306 HA ASP 38 HA ASP 38 0.621 5.750 -3.727 307 HB2 ASP 38 HB2 ASP 38 -0.307 7.009 -6.311 308 HB3 ASP 38 HB1 ASP 38 0.986 7.693 -5.326 309 H GLN 39 HN GLN 39 -2.668 6.474 -4.117 310 HA GLN 39 HA GLN 39 -2.709 9.186 -3.165 311 HB2 GLN 39 HB2 GLN 39 -4.604 8.064 -4.340 312 HB3 GLN 39 HB1 GLN 39 -4.853 7.060 -2.913 313 HG2 GLN 39 HG2 GLN 39 -6.400 8.938 -2.838 314 HG3 GLN 39 HG1 GLN 39 -5.200 9.143 -1.564 315 HE21 GLN 39 HE21 GLN 39 -5.188 11.457 -1.509 316 HE22 GLN 39 HE22 GLN 39 -4.692 12.408 -2.824 317 H TYR 40 HN TYR 40 -2.946 6.039 -1.494 318 HA TYR 40 HA TYR 40 -2.943 7.475 1.133 319 HB2 TYR 40 HB2 TYR 40 -3.559 4.597 0.416 320 HB3 TYR 40 HB1 TYR 40 -3.569 5.246 2.057 321 HD1 TYR 40 HD2 TYR 40 -5.229 5.343 -1.247 322 HD2 TYR 40 HD1 TYR 40 -5.316 6.739 2.814 323 HE1 TYR 40 HE2 TYR 40 -7.541 6.177 -1.583 324 HE2 TYR 40 HE1 TYR 40 -7.625 7.574 2.480 325 HH TYR 40 HH TYR 40 -9.347 7.710 1.084 326 H VAL 41 HN VAL 41 -0.711 6.250 -0.962 327 HA VAL 41 HA VAL 41 1.063 5.211 1.227 328 HB VAL 41 HB VAL 41 1.375 4.867 -1.762 329 HG11 VAL 41 HG11 VAL 41 2.892 2.990 -0.922 330 HG12 VAL 41 HG12 VAL 41 2.785 3.758 0.662 331 HG13 VAL 41 HG13 VAL 41 3.488 4.636 -0.699 332 HG21 VAL 41 HG21 VAL 41 0.164 3.073 0.352 333 HG22 VAL 41 HG22 VAL 41 0.676 2.489 -1.231 334 HG23 VAL 41 HG23 VAL 41 -0.615 3.685 -1.107 335 H ARG 42 HN ARG 42 0.481 7.883 -0.769 336 HA ARG 42 HA ARG 42 3.014 8.843 -1.486 337 HB2 ARG 42 HB2 ARG 42 0.851 9.983 -1.997 338 HB3 ARG 42 HB1 ARG 42 0.746 10.483 -0.309 339 HG2 ARG 42 HG2 ARG 42 2.790 11.779 -0.508 340 HG3 ARG 42 HG1 ARG 42 3.057 11.179 -2.144 341 HD2 ARG 42 HD2 ARG 42 2.084 13.419 -2.250 342 HD3 ARG 42 HD1 ARG 42 0.911 12.244 -2.844 343 HE ARG 42 HE ARG 42 0.521 12.667 -0.029 344 HH11 ARG 42 HH21 ARG 42 0.174 14.137 -3.129 345 HH12 ARG 42 HH22 ARG 42 -1.190 15.099 -2.668 346 HH21 ARG 42 HH11 ARG 42 -1.262 13.912 0.589 347 HH22 ARG 42 HH12 ARG 42 -2.003 14.971 -0.564 348 H LEU 43 HN LEU 43 1.808 8.187 1.637 349 HA LEU 43 HA LEU 43 3.131 10.089 3.258 350 HB2 LEU 43 HB2 LEU 43 2.818 7.134 3.866 351 HB3 LEU 43 HB1 LEU 43 2.971 8.447 5.034 352 HG LEU 43 HG LEU 43 0.689 8.128 3.066 353 HD11 LEU 43 HD11 LEU 43 0.852 7.639 6.056 354 HD12 LEU 43 HD12 LEU 43 0.615 6.414 4.810 355 HD13 LEU 43 HD13 LEU 43 -0.637 7.618 5.111 356 HD21 LEU 43 HD21 LEU 43 0.843 10.438 3.499 357 HD22 LEU 43 HD22 LEU 43 1.400 10.191 5.155 358 HD23 LEU 43 HD23 LEU 43 -0.288 9.895 4.735 359 H GLY 44 HN GLY 44 4.358 6.747 2.970 360 HA2 GLY 44 HA2 GLY 44 6.709 6.757 1.762 361 HA3 GLY 44 HA1 GLY 44 7.135 7.832 3.092 362 HA PRO 45 HA PRO 45 7.785 4.665 6.094 363 HB2 PRO 45 HB2 PRO 45 5.078 5.014 7.338 364 HB3 PRO 45 HB1 PRO 45 6.680 5.053 8.102 365 HG2 PRO 45 HG2 PRO 45 5.299 7.294 7.655 366 HG3 PRO 45 HG1 PRO 45 7.065 7.245 7.487 367 HD2 PRO 45 HD2 PRO 45 4.975 7.328 5.349 368 HD3 PRO 45 HD1 PRO 45 6.616 8.006 5.347 369 H LEU 46 HN LEU 46 4.438 4.517 4.881 370 HA LEU 46 HA LEU 46 4.402 1.568 5.120 371 HB2 LEU 46 HB2 LEU 46 2.333 3.490 4.000 372 HB3 LEU 46 HB1 LEU 46 2.082 1.776 4.321 373 HG LEU 46 HG LEU 46 2.810 3.846 6.418 374 HD11 LEU 46 HD11 LEU 46 0.517 4.124 5.504 375 HD12 LEU 46 HD12 LEU 46 0.492 3.579 7.182 376 HD13 LEU 46 HD13 LEU 46 0.177 2.434 5.878 377 HD21 LEU 46 HD21 LEU 46 3.607 1.824 7.289 378 HD22 LEU 46 HD22 LEU 46 2.381 0.861 6.462 379 HD23 LEU 46 HD23 LEU 46 1.947 1.813 7.881 380 H SER 47 HN SER 47 5.480 3.854 2.918 381 HA SER 47 HA SER 47 4.719 2.509 0.458 382 HB2 SER 47 HB2 SER 47 5.917 4.193 -0.643 383 HB3 SER 47 HB1 SER 47 5.404 4.999 0.836 384 HG SER 47 HG SER 47 7.906 4.328 -0.036 385 H ASN 48 HN ASN 48 6.045 1.302 -0.917 386 HA ASN 48 HA ASN 48 7.542 -0.445 -1.349 387 HB2 ASN 48 HB2 ASN 48 9.359 1.486 0.118 388 HB3 ASN 48 HB1 ASN 48 9.912 0.124 -0.856 389 HD21 ASN 48 HD21 ASN 48 7.656 0.551 -2.851 390 HD22 ASN 48 HD22 ASN 48 8.131 1.905 -3.758 391 H LYS 49 HN LYS 49 6.336 -0.014 1.623 392 HA LYS 49 HA LYS 49 8.170 -1.859 3.042 393 HB2 LYS 49 HB2 LYS 49 7.152 0.138 4.205 394 HB3 LYS 49 HB1 LYS 49 5.577 -0.626 4.021 395 HG2 LYS 49 HG2 LYS 49 6.246 -1.273 6.190 396 HG3 LYS 49 HG1 LYS 49 6.655 -2.673 5.206 397 HD2 LYS 49 HD2 LYS 49 8.987 -2.045 5.143 398 HD3 LYS 49 HD1 LYS 49 8.640 -0.478 5.870 399 HE2 LYS 49 HE2 LYS 49 9.516 -1.916 7.597 400 HE3 LYS 49 HE1 LYS 49 7.791 -1.707 7.901 401 HZ1 LYS 49 HZ1 LYS 49 8.987 -4.001 6.445 402 HZ2 LYS 49 HZ2 LYS 49 7.350 -3.810 6.860 403 HZ3 LYS 49 HZ3 LYS 49 8.518 -4.033 8.074 404 H ILE 50 HN ILE 50 7.678 -3.985 3.428 405 HA ILE 50 HA ILE 50 5.525 -5.174 1.849 406 HB ILE 50 HB ILE 50 7.325 -6.507 3.891 407 HG12 ILE 50 HG12 ILE 50 8.755 -5.343 2.323 408 HG13 ILE 50 HG11 ILE 50 8.758 -7.052 1.893 409 HG21 ILE 50 HG21 ILE 50 5.359 -7.793 3.100 410 HG22 ILE 50 HG22 ILE 50 6.881 -8.519 2.580 411 HG23 ILE 50 HG23 ILE 50 5.912 -7.586 1.438 412 HD11 ILE 50 HD11 ILE 50 7.389 -4.761 0.496 413 HD12 ILE 50 HD12 ILE 50 6.804 -6.411 0.281 414 HD13 ILE 50 HD13 ILE 50 8.452 -5.993 -0.182 415 H LEU 51 HN LEU 51 3.491 -5.429 2.573 416 HA LEU 51 HA LEU 51 3.000 -5.527 5.538 417 HB2 LEU 51 HB2 LEU 51 1.176 -4.463 3.359 418 HB3 LEU 51 HB1 LEU 51 0.824 -4.490 5.087 419 HG LEU 51 HG LEU 51 3.133 -2.998 3.803 420 HD11 LEU 51 HD11 LEU 51 0.822 -2.090 3.334 421 HD12 LEU 51 HD12 LEU 51 1.868 -0.986 4.227 422 HD13 LEU 51 HD13 LEU 51 0.614 -1.892 5.075 423 HD21 LEU 51 HD21 LEU 51 3.019 -1.907 6.208 424 HD22 LEU 51 HD22 LEU 51 3.859 -3.437 5.990 425 HD23 LEU 51 HD23 LEU 51 2.222 -3.418 6.648 426 H GLN 52 HN GLN 52 1.784 -7.204 6.298 427 HA GLN 52 HA GLN 52 1.371 -9.481 4.569 428 HB2 GLN 52 HB2 GLN 52 0.471 -8.884 7.401 429 HB3 GLN 52 HB1 GLN 52 0.207 -10.436 6.599 430 HG2 GLN 52 HG2 GLN 52 2.629 -10.690 6.256 431 HG3 GLN 52 HG1 GLN 52 2.911 -9.126 7.019 432 HE21 GLN 52 HE21 GLN 52 2.822 -9.009 9.332 433 HE22 GLN 52 HE22 GLN 52 2.615 -10.380 10.312 434 H THR 53 HN THR 53 -0.158 -9.317 2.999 435 HA THR 53 HA THR 53 -2.619 -7.788 3.442 436 HB THR 53 HB THR 53 -1.600 -9.414 1.098 437 HG1 THR 53 HG1 THR 53 -1.939 -6.655 1.632 438 HG21 THR 53 HG21 THR 53 -3.966 -9.597 0.935 439 HG22 THR 53 HG22 THR 53 -3.548 -8.232 -0.100 440 HG23 THR 53 HG23 THR 53 -4.209 -7.947 1.509 441 H ASN 54 HN ASN 54 -4.462 -8.602 4.177 442 HA ASN 54 HA ASN 54 -4.953 -11.555 4.015 443 HB2 ASN 54 HB2 ASN 54 -4.293 -10.660 6.348 444 HB3 ASN 54 HB1 ASN 54 -5.849 -9.831 6.336 445 HD21 ASN 54 HD21 ASN 54 -4.441 -13.122 5.908 446 HD22 ASN 54 HD22 ASN 54 -5.797 -13.942 6.519 447 H THR 55 HN THR 55 -6.620 -11.746 2.622 448 HA THR 55 HA THR 55 -8.850 -9.723 2.766 449 HB THR 55 HB THR 55 -9.254 -10.643 0.331 450 HG1 THR 55 HG1 THR 55 -6.530 -10.898 0.152 451 HG21 THR 55 HG21 THR 55 -7.578 -8.962 -0.543 452 HG22 THR 55 HG22 THR 55 -7.012 -8.770 1.117 453 HG23 THR 55 HG23 THR 55 -8.672 -8.350 0.697 454 H TYR 56 HN TYR 56 -10.959 -10.500 2.688 455 HA TYR 56 HA TYR 56 -11.257 -13.456 3.186 456 HB2 TYR 56 HB2 TYR 56 -13.130 -11.254 4.109 457 HB3 TYR 56 HB1 TYR 56 -13.166 -12.950 4.569 458 HD1 TYR 56 HD2 TYR 56 -10.912 -9.958 4.614 459 HD2 TYR 56 HD1 TYR 56 -12.009 -13.668 6.491 460 HE1 TYR 56 HE2 TYR 56 -9.322 -9.499 6.450 461 HE2 TYR 56 HE1 TYR 56 -10.416 -13.198 8.335 462 HH TYR 56 HH TYR 56 -8.413 -11.872 8.740 463 H TYR 57 HN TYR 57 -12.453 -14.556 1.719 464 HA TYR 57 HA TYR 57 -14.174 -12.992 -0.187 465 HB2 TYR 57 HB2 TYR 57 -12.452 -15.442 -0.629 466 HB3 TYR 57 HB1 TYR 57 -13.677 -14.907 -1.780 467 HD1 TYR 57 HD2 TYR 57 -10.432 -14.102 -0.223 468 HD2 TYR 57 HD1 TYR 57 -13.426 -12.825 -3.028 469 HE1 TYR 57 HE2 TYR 57 -8.856 -12.424 -1.145 470 HE2 TYR 57 HE1 TYR 57 -11.849 -11.147 -3.947 471 HH TYR 57 HH TYR 57 -9.772 -10.359 -3.903 472 H SER 58 HN SER 58 -16.274 -13.548 -0.228 473 HA SER 58 HA SER 58 -17.100 -16.246 0.768 474 HB2 SER 58 HB2 SER 58 -18.553 -13.693 1.481 475 HB3 SER 58 HB1 SER 58 -18.837 -15.311 2.118 476 HG SER 58 HG SER 58 -17.206 -15.072 3.431 477 H ASP 59 HN ASP 59 -19.309 -16.811 0.053 478 HA ASP 59 HA ASP 59 -19.710 -16.340 -2.727 479 HB2 ASP 59 HB2 ASP 59 -21.555 -17.368 -0.559 480 HB3 ASP 59 HB1 ASP 59 -22.012 -17.325 -2.262 481 H THR 60 HN THR 60 -21.347 -14.961 0.130 482 HA THR 60 HA THR 60 -23.168 -13.303 -1.324 483 HB THR 60 HB THR 60 -21.981 -12.684 1.392 484 HG1 THR 60 HG1 THR 60 -24.358 -14.040 1.264 485 HG21 THR 60 HG21 THR 60 -23.361 -10.898 0.572 486 HG22 THR 60 HG22 THR 60 -24.328 -11.799 1.741 487 HG23 THR 60 HG23 THR 60 -24.594 -12.029 0.014 488 H LEU 61 HN LEU 61 -19.912 -12.667 -0.022 489 HA LEU 61 HA LEU 61 -19.788 -9.915 -0.756 490 HB2 LEU 61 HB2 LEU 61 -17.613 -11.997 -0.446 491 HB3 LEU 61 HB1 LEU 61 -17.291 -10.280 -0.671 492 HG LEU 61 HG LEU 61 -19.013 -11.399 1.561 493 HD11 LEU 61 HD11 LEU 61 -16.772 -12.213 1.905 494 HD12 LEU 61 HD12 LEU 61 -17.014 -10.853 3.002 495 HD13 LEU 61 HD13 LEU 61 -16.082 -10.636 1.520 496 HD21 LEU 61 HD21 LEU 61 -18.064 -8.650 0.781 497 HD22 LEU 61 HD22 LEU 61 -18.245 -9.021 2.492 498 HD23 LEU 61 HD23 LEU 61 -19.629 -9.158 1.414 499 H HIS 62 HN HIS 62 -18.887 -12.855 -2.567 500 HA HIS 62 HA HIS 62 -17.722 -11.563 -4.809 501 HB2 HIS 62 HB2 HIS 62 -19.300 -14.140 -4.598 502 HB3 HIS 62 HB1 HIS 62 -18.478 -13.627 -6.068 503 HD1 HIS 62 HD1 HIS 62 -17.912 -15.583 -3.121 504 HD2 HIS 62 HD2 HIS 62 -15.548 -13.045 -5.432 505 HE1 HIS 62 HE1 HIS 62 -15.507 -16.138 -2.558 506 H LYS 63 HN LYS 63 -21.111 -12.350 -4.085 507 HA LYS 63 HA LYS 63 -22.205 -11.462 -6.575 508 HB2 LYS 63 HB2 LYS 63 -23.395 -11.575 -3.789 509 HB3 LYS 63 HB1 LYS 63 -24.330 -11.229 -5.245 510 HG2 LYS 63 HG2 LYS 63 -23.685 -13.388 -6.207 511 HG3 LYS 63 HG1 LYS 63 -22.684 -13.736 -4.797 512 HD2 LYS 63 HD2 LYS 63 -24.708 -13.603 -3.359 513 HD3 LYS 63 HD1 LYS 63 -25.691 -13.348 -4.800 514 HE2 LYS 63 HE2 LYS 63 -23.905 -15.760 -4.391 515 HE3 LYS 63 HE1 LYS 63 -25.629 -15.744 -4.019 516 HZ1 LYS 63 HZ1 LYS 63 -25.098 -16.615 -6.255 517 HZ2 LYS 63 HZ2 LYS 63 -24.491 -15.086 -6.681 518 HZ3 LYS 63 HZ3 LYS 63 -26.133 -15.272 -6.289 519 H SER 64 HN SER 64 -21.554 -9.759 -3.514 520 HA SER 64 HA SER 64 -22.585 -7.224 -4.561 521 HB2 SER 64 HB2 SER 64 -20.980 -7.856 -2.065 522 HB3 SER 64 HB1 SER 64 -21.687 -6.287 -2.436 523 HG SER 64 HG SER 64 -23.121 -8.732 -2.229 524 H ASN 65 HN ASN 65 -19.759 -8.988 -4.988 525 HA ASN 65 HA ASN 65 -17.661 -8.450 -5.872 526 HB2 ASN 65 HB2 ASN 65 -19.277 -7.355 -7.552 527 HB3 ASN 65 HB1 ASN 65 -18.896 -5.833 -6.745 528 HD21 ASN 65 HD21 ASN 65 -17.630 -4.907 -8.461 529 HD22 ASN 65 HD22 ASN 65 -16.153 -5.572 -8.968 530 H ILE 66 HN ILE 66 -17.930 -7.905 -3.165 531 HA ILE 66 HA ILE 66 -16.518 -5.284 -2.806 532 HB ILE 66 HB ILE 66 -18.120 -6.944 -0.843 533 HG12 ILE 66 HG12 ILE 66 -18.585 -4.146 -1.923 534 HG13 ILE 66 HG11 ILE 66 -19.366 -5.587 -2.573 535 HG21 ILE 66 HG21 ILE 66 -16.453 -4.439 -0.514 536 HG22 ILE 66 HG22 ILE 66 -16.320 -5.951 0.383 537 HG23 ILE 66 HG23 ILE 66 -17.710 -4.896 0.634 538 HD11 ILE 66 HD11 ILE 66 -19.590 -4.543 0.262 539 HD12 ILE 66 HD12 ILE 66 -20.288 -6.062 -0.301 540 HD13 ILE 66 HD13 ILE 66 -20.857 -4.530 -0.964 541 H TYR 67 HN TYR 67 -14.451 -5.332 -2.114 542 HA TYR 67 HA TYR 67 -13.277 -7.994 -1.430 543 HB2 TYR 67 HB2 TYR 67 -12.071 -5.469 -2.553 544 HB3 TYR 67 HB1 TYR 67 -11.109 -6.846 -2.017 545 HD1 TYR 67 HD1 TYR 67 -14.038 -6.021 -4.210 546 HD2 TYR 67 HD2 TYR 67 -10.662 -8.591 -3.526 547 HE1 TYR 67 HE1 TYR 67 -14.477 -7.168 -6.364 548 HE2 TYR 67 HE2 TYR 67 -11.099 -9.735 -5.685 549 HH TYR 67 HH TYR 67 -13.320 -8.501 -8.006 550 HA PRO 68 HA PRO 68 -12.875 -5.840 2.609 551 HB2 PRO 68 HB2 PRO 68 -12.758 -8.028 4.201 552 HB3 PRO 68 HB1 PRO 68 -14.292 -7.467 3.501 553 HG2 PRO 68 HG2 PRO 68 -12.504 -9.679 2.604 554 HG3 PRO 68 HG1 PRO 68 -14.274 -9.641 2.705 555 HD2 PRO 68 HD2 PRO 68 -12.845 -9.264 0.371 556 HD3 PRO 68 HD1 PRO 68 -14.481 -8.614 0.635 557 H PHE 69 HN PHE 69 -10.896 -5.034 3.083 558 HA PHE 69 HA PHE 69 -8.496 -6.822 2.892 559 HB2 PHE 69 HB2 PHE 69 -9.075 -4.074 1.954 560 HB3 PHE 69 HB1 PHE 69 -7.516 -4.226 2.757 561 HD1 PHE 69 HD1 PHE 69 -9.637 -5.782 0.086 562 HD2 PHE 69 HD2 PHE 69 -5.682 -5.130 1.626 563 HE1 PHE 69 HE1 PHE 69 -8.670 -6.815 -1.952 564 HE2 PHE 69 HE2 PHE 69 -4.712 -6.154 -0.401 565 HZ PHE 69 HZ PHE 69 -6.207 -7.005 -2.197 566 H ILE 70 HN ILE 70 -7.084 -6.909 4.496 567 HA ILE 70 HA ILE 70 -7.172 -5.012 6.759 568 HB ILE 70 HB ILE 70 -7.378 -8.021 7.171 569 HG12 ILE 70 HG12 ILE 70 -9.427 -5.801 7.502 570 HG13 ILE 70 HG11 ILE 70 -9.515 -7.155 6.382 571 HG21 ILE 70 HG21 ILE 70 -7.502 -5.719 9.152 572 HG22 ILE 70 HG22 ILE 70 -6.083 -6.727 8.882 573 HG23 ILE 70 HG23 ILE 70 -7.552 -7.437 9.538 574 HD11 ILE 70 HD11 ILE 70 -9.296 -8.597 8.594 575 HD12 ILE 70 HD12 ILE 70 -10.857 -7.945 8.097 576 HD13 ILE 70 HD13 ILE 70 -9.919 -7.129 9.348 577 H LEU 71 HN LEU 71 -5.062 -4.485 7.112 578 HA LEU 71 HA LEU 71 -2.937 -6.371 6.138 579 HB2 LEU 71 HB2 LEU 71 -2.684 -3.402 6.694 580 HB3 LEU 71 HB1 LEU 71 -1.559 -4.431 5.806 581 HG LEU 71 HG LEU 71 -4.402 -3.786 4.957 582 HD11 LEU 71 HD11 LEU 71 -3.360 -2.495 3.170 583 HD12 LEU 71 HD12 LEU 71 -1.754 -2.929 3.756 584 HD13 LEU 71 HD13 LEU 71 -2.800 -1.896 4.733 585 HD21 LEU 71 HD21 LEU 71 -2.233 -5.530 3.781 586 HD22 LEU 71 HD22 LEU 71 -3.532 -4.871 2.787 587 HD23 LEU 71 HD23 LEU 71 -3.912 -5.954 4.115 588 H TYR 72 HN TYR 72 -1.218 -6.898 7.489 589 HA TYR 72 HA TYR 72 -1.372 -5.935 10.317 590 HB2 TYR 72 HB2 TYR 72 -0.933 -8.758 9.347 591 HB3 TYR 72 HB1 TYR 72 -0.648 -8.226 11.008 592 HD1 TYR 72 HD2 TYR 72 -2.515 -7.418 12.411 593 HD2 TYR 72 HD1 TYR 72 -3.185 -9.053 8.495 594 HE1 TYR 72 HE2 TYR 72 -4.918 -7.704 12.943 595 HE2 TYR 72 HE1 TYR 72 -5.591 -9.341 9.029 596 HH TYR 72 HH TYR 72 -7.078 -9.442 10.806 597 H TYR 73 HN TYR 73 0.510 -5.580 11.362 598 HA TYR 73 HA TYR 73 3.072 -6.444 10.298 599 HB2 TYR 73 HB2 TYR 73 2.532 -4.546 8.766 600 HB3 TYR 73 HB1 TYR 73 2.412 -3.484 10.170 601 HD1 TYR 73 HD1 TYR 73 4.732 -5.806 8.387 602 HD2 TYR 73 HD2 TYR 73 4.351 -2.511 11.116 603 HE1 TYR 73 HE1 TYR 73 7.192 -5.497 8.358 604 HE2 TYR 73 HE2 TYR 73 6.810 -2.201 11.087 605 HH TYR 73 HH TYR 73 8.764 -3.085 10.440 606 H GLN 74 HN GLN 74 3.270 -7.204 12.450 607 HA GLN 74 HA GLN 74 3.864 -7.103 14.684 608 HB2 GLN 74 HB2 GLN 74 4.792 -4.321 13.894 609 HB3 GLN 74 HB1 GLN 74 5.221 -5.154 15.385 610 HG2 GLN 74 HG2 GLN 74 5.816 -6.194 12.600 611 HG3 GLN 74 HG1 GLN 74 6.982 -5.375 13.640 612 HE21 GLN 74 HE21 GLN 74 7.713 -6.518 15.587 613 HE22 GLN 74 HE22 GLN 74 7.473 -8.189 15.762 614 H LYS 75 HN LYS 75 3.218 -6.287 16.698 615 HA LYS 75 HA LYS 75 1.663 -5.447 18.221 616 HB2 LYS 75 HB2 LYS 75 1.359 -3.230 16.181 617 HB3 LYS 75 HB1 LYS 75 0.830 -3.170 17.856 618 HG2 LYS 75 HG2 LYS 75 3.196 -3.549 18.567 619 HG3 LYS 75 HG1 LYS 75 3.685 -3.447 16.877 620 HD2 LYS 75 HD2 LYS 75 2.186 -1.254 18.343 621 HD3 LYS 75 HD1 LYS 75 3.935 -1.279 18.132 622 HE2 LYS 75 HE2 LYS 75 3.419 -1.517 15.597 623 HE3 LYS 75 HE1 LYS 75 1.795 -0.983 16.026 624 HZ1 LYS 75 HZ1 LYS 75 4.323 0.474 16.552 625 HZ2 LYS 75 HZ2 LYS 75 2.791 0.968 17.094 626 HZ3 LYS 75 HZ3 LYS 75 3.124 0.900 15.430 627 H GLN 76 HN GLN 76 -0.058 -4.070 15.449 628 HA GLN 76 HA GLN 76 -2.060 -6.266 15.553 629 HB2 GLN 76 HB2 GLN 76 -2.767 -3.339 15.970 630 HB3 GLN 76 HB1 GLN 76 -3.912 -4.672 15.866 631 HG2 GLN 76 HG2 GLN 76 -1.791 -4.338 18.005 632 HG3 GLN 76 HG1 GLN 76 -3.514 -4.050 18.206 633 HE21 GLN 76 HE21 GLN 76 -1.543 -6.204 19.334 634 HE22 GLN 76 HE22 GLN 76 -2.381 -7.658 19.076 635 H LEU 77 HN LEU 77 -3.962 -4.476 14.124 636 HA LEU 77 HA LEU 77 -2.918 -4.886 11.441 637 HB2 LEU 77 HB2 LEU 77 -5.148 -4.051 10.723 638 HB3 LEU 77 HB1 LEU 77 -5.225 -5.419 11.826 639 HG LEU 77 HG LEU 77 -5.276 -3.331 13.625 640 HD11 LEU 77 HD11 LEU 77 -5.401 -1.795 11.530 641 HD12 LEU 77 HD12 LEU 77 -6.539 -1.505 12.839 642 HD13 LEU 77 HD13 LEU 77 -7.060 -2.366 11.392 643 HD21 LEU 77 HD21 LEU 77 -7.498 -4.809 12.206 644 HD22 LEU 77 HD22 LEU 77 -7.851 -3.652 13.488 645 HD23 LEU 77 HD23 LEU 77 -6.865 -5.072 13.830 646 H ILE 78 HN ILE 78 -2.871 -3.175 9.812 647 HA ILE 78 HA ILE 78 -2.072 -0.536 10.992 648 HB ILE 78 HB ILE 78 -1.429 -1.736 8.282 649 HG12 ILE 78 HG12 ILE 78 -0.325 -3.021 10.028 650 HG13 ILE 78 HG11 ILE 78 0.868 -1.998 9.236 651 HG21 ILE 78 HG21 ILE 78 0.268 0.099 8.231 652 HG22 ILE 78 HG22 ILE 78 -0.443 0.744 9.711 653 HG23 ILE 78 HG23 ILE 78 -1.395 0.684 8.227 654 HD11 ILE 78 HD11 ILE 78 -0.325 -1.733 11.984 655 HD12 ILE 78 HD12 ILE 78 0.280 -0.295 11.162 656 HD13 ILE 78 HD13 ILE 78 1.364 -1.642 11.491 657 H ALA 79 HN ALA 79 -4.305 -2.113 8.803 658 HA ALA 79 HA ALA 79 -5.898 0.315 8.652 659 HB1 ALA 79 HB1 ALA 79 -4.716 -0.697 6.059 660 HB2 ALA 79 HB2 ALA 79 -4.094 0.703 6.933 661 HB3 ALA 79 HB3 ALA 79 -5.735 0.724 6.287 662 H ILE 80 HN ILE 80 -7.998 -0.093 7.959 663 HA ILE 80 HA ILE 80 -8.645 -2.854 6.988 664 HB ILE 80 HB ILE 80 -10.744 -2.638 8.455 665 HG12 ILE 80 HG12 ILE 80 -8.999 -0.651 9.930 666 HG13 ILE 80 HG11 ILE 80 -10.328 -0.181 8.871 667 HG21 ILE 80 HG21 ILE 80 -9.321 -4.282 9.256 668 HG22 ILE 80 HG22 ILE 80 -9.252 -3.163 10.608 669 HG23 ILE 80 HG23 ILE 80 -7.953 -3.186 9.415 670 HD11 ILE 80 HD11 ILE 80 -10.497 -1.838 11.399 671 HD12 ILE 80 HD12 ILE 80 -11.839 -1.652 10.270 672 HD13 ILE 80 HD13 ILE 80 -11.195 -0.248 11.112 673 H GLY 81 HN GLY 81 -10.613 -2.921 5.707 674 HA2 GLY 81 HA2 GLY 81 -12.419 -0.860 5.251 675 HA3 GLY 81 HA1 GLY 81 -11.056 -0.469 4.208 676 H PHE 82 HN PHE 82 -13.312 -0.897 2.908 677 HA PHE 82 HA PHE 82 -12.878 -3.531 1.587 678 HB2 PHE 82 HB2 PHE 82 -15.286 -3.947 1.465 679 HB3 PHE 82 HB1 PHE 82 -14.808 -3.784 3.151 680 HD1 PHE 82 HD2 PHE 82 -16.583 -2.189 0.337 681 HD2 PHE 82 HD1 PHE 82 -15.462 -1.837 4.470 682 HE1 PHE 82 HE2 PHE 82 -18.223 -0.352 0.627 683 HE2 PHE 82 HE1 PHE 82 -17.104 -0.001 4.758 684 HZ PHE 82 HZ PHE 82 -18.484 0.743 2.837 685 H ILE 83 HN ILE 83 -13.369 -3.477 -0.649 686 HA ILE 83 HA ILE 83 -13.620 -0.719 -1.777 687 HB ILE 83 HB ILE 83 -12.731 -3.299 -3.106 688 HG12 ILE 83 HG12 ILE 83 -11.088 -0.932 -2.153 689 HG13 ILE 83 HG11 ILE 83 -11.203 -2.468 -1.296 690 HG21 ILE 83 HG21 ILE 83 -12.677 -0.403 -4.002 691 HG22 ILE 83 HG22 ILE 83 -13.659 -1.696 -4.690 692 HG23 ILE 83 HG23 ILE 83 -11.907 -1.734 -4.866 693 HD11 ILE 83 HD11 ILE 83 -10.053 -1.979 -4.053 694 HD12 ILE 83 HD12 ILE 83 -10.395 -3.592 -3.424 695 HD13 ILE 83 HD13 ILE 83 -9.204 -2.568 -2.623 696 H ASP 84 HN ASP 84 -15.528 -0.159 -2.644 697 HA ASP 84 HA ASP 84 -17.622 -2.205 -3.028 698 HB2 ASP 84 HB2 ASP 84 -18.150 -0.082 -1.884 699 HB3 ASP 84 HB1 ASP 84 -17.726 0.807 -3.347 700 H GLU 85 HN GLU 85 -17.843 -3.164 -4.933 701 HA GLU 85 HA GLU 85 -17.752 -3.595 -7.230 702 HB2 GLU 85 HB2 GLU 85 -19.459 -1.678 -7.043 703 HB3 GLU 85 HB1 GLU 85 -18.158 -0.622 -7.593 704 HG2 GLU 85 HG2 GLU 85 -17.903 -1.939 -9.640 705 HG3 GLU 85 HG1 GLU 85 -19.111 -3.090 -9.077 706 H ASN 86 HN ASN 86 -15.249 -3.338 -6.083 707 HA ASN 86 HA ASN 86 -13.006 -2.930 -6.602 708 HB2 ASN 86 HB2 ASN 86 -14.268 -2.879 -9.357 709 HB3 ASN 86 HB1 ASN 86 -12.526 -2.793 -9.097 710 HD21 ASN 86 HD21 ASN 86 -13.679 -5.007 -10.473 711 HD22 ASN 86 HD22 ASN 86 -13.508 -6.393 -9.507 712 H HIS 87 HN HIS 87 -14.660 -0.624 -5.866 713 HA HIS 87 HA HIS 87 -12.822 1.461 -6.785 714 HB2 HIS 87 HB2 HIS 87 -14.471 1.436 -8.622 715 HB3 HIS 87 HB1 HIS 87 -15.775 1.655 -7.456 716 HD1 HIS 87 HD1 HIS 87 -15.952 3.977 -6.273 717 HD2 HIS 87 HD2 HIS 87 -12.945 3.769 -9.153 718 HE1 HIS 87 HE1 HIS 87 -15.207 6.359 -6.703 719 H ASP 88 HN ASP 88 -13.442 3.608 -5.716 720 HA ASP 88 HA ASP 88 -13.812 4.768 -3.717 721 HB2 ASP 88 HB2 ASP 88 -16.180 4.342 -4.434 722 HB3 ASP 88 HB1 ASP 88 -16.171 2.882 -3.444 723 H MET 89 HN MET 89 -12.116 4.227 -2.386 724 HA MET 89 HA MET 89 -12.122 1.627 -0.975 725 HB2 MET 89 HB2 MET 89 -10.173 3.950 -0.984 726 HB3 MET 89 HB1 MET 89 -9.939 2.464 -0.065 727 HG2 MET 89 HG2 MET 89 -10.024 1.153 -2.151 728 HG3 MET 89 HG1 MET 89 -10.270 2.632 -3.076 729 HE1 MET 89 HE1 MET 89 -8.204 0.945 -0.412 730 HE2 MET 89 HE2 MET 89 -6.533 1.140 -0.928 731 HE3 MET 89 HE3 MET 89 -7.628 0.135 -1.874 732 H ASP 90 HN ASP 90 -13.376 1.512 0.811 733 HA ASP 90 HA ASP 90 -13.810 3.946 2.478 734 HB2 ASP 90 HB2 ASP 90 -15.738 2.461 1.704 735 HB3 ASP 90 HB1 ASP 90 -15.109 1.228 2.798 736 H PHE 91 HN PHE 91 -12.305 4.202 4.060 737 HA PHE 91 HA PHE 91 -11.059 1.778 5.283 738 HB2 PHE 91 HB2 PHE 91 -10.295 4.705 5.247 739 HB3 PHE 91 HB1 PHE 91 -9.502 3.530 6.296 740 HD1 PHE 91 HD2 PHE 91 -8.303 1.573 5.303 741 HD2 PHE 91 HD1 PHE 91 -9.858 4.766 2.888 742 HE1 PHE 91 HE2 PHE 91 -6.885 0.830 3.410 743 HE2 PHE 91 HE1 PHE 91 -8.439 4.023 0.994 744 HZ PHE 91 HZ PHE 91 -6.954 2.055 1.255 745 H LEU 92 HN LEU 92 -12.215 1.066 6.986 746 HA LEU 92 HA LEU 92 -13.956 2.675 8.597 747 HB2 LEU 92 HB2 LEU 92 -12.763 -0.072 8.781 748 HB3 LEU 92 HB1 LEU 92 -13.513 0.592 10.221 749 HG LEU 92 HG LEU 92 -15.071 -0.766 8.787 750 HD11 LEU 92 HD11 LEU 92 -16.860 0.551 9.366 751 HD12 LEU 92 HD12 LEU 92 -16.176 2.012 8.672 752 HD13 LEU 92 HD13 LEU 92 -15.637 1.446 10.252 753 HD21 LEU 92 HD21 LEU 92 -13.943 0.199 6.643 754 HD22 LEU 92 HD22 LEU 92 -15.045 1.557 6.860 755 HD23 LEU 92 HD23 LEU 92 -15.686 -0.067 6.622 756 H TYR 93 HN TYR 93 -10.617 1.583 9.033 757 HA TYR 93 HA TYR 93 -10.140 3.852 10.853 758 HB2 TYR 93 HB2 TYR 93 -10.935 1.793 12.213 759 HB3 TYR 93 HB1 TYR 93 -9.388 1.070 11.778 760 HD1 TYR 93 HD1 TYR 93 -11.016 3.880 13.556 761 HD2 TYR 93 HD2 TYR 93 -7.322 1.837 12.757 762 HE1 TYR 93 HE1 TYR 93 -9.920 5.149 15.382 763 HE2 TYR 93 HE2 TYR 93 -6.225 3.109 14.581 764 HH TYR 93 HH TYR 93 -6.462 5.018 15.889 765 H LEU 94 HN LEU 94 -8.275 4.707 10.170 766 HA LEU 94 HA LEU 94 -6.249 2.929 8.859 767 HB2 LEU 94 HB2 LEU 94 -7.283 4.636 7.372 768 HB3 LEU 94 HB1 LEU 94 -6.734 5.900 8.469 769 HG LEU 94 HG LEU 94 -4.391 5.226 8.078 770 HD11 LEU 94 HD11 LEU 94 -5.725 3.065 6.463 771 HD12 LEU 94 HD12 LEU 94 -4.346 2.952 7.557 772 HD13 LEU 94 HD13 LEU 94 -4.142 3.658 5.959 773 HD21 LEU 94 HD21 LEU 94 -6.075 5.780 5.620 774 HD22 LEU 94 HD22 LEU 94 -4.315 5.893 5.636 775 HD23 LEU 94 HD23 LEU 94 -5.278 6.964 6.656 776 H HIS 95 HN HIS 95 -4.472 2.644 10.064 777 HA HIS 95 HA HIS 95 -3.626 4.826 11.952 778 HB2 HIS 95 HB2 HIS 95 -4.532 2.681 13.012 779 HB3 HIS 95 HB1 HIS 95 -3.115 1.870 12.345 780 HD1 HIS 95 HD1 HIS 95 -0.741 2.793 13.162 781 HD2 HIS 95 HD2 HIS 95 -4.025 4.185 15.320 782 HE1 HIS 95 HE1 HIS 95 0.178 3.801 15.296 783 H ASN 96 HN ASN 96 -1.822 5.733 11.145 784 HA ASN 96 HA ASN 96 0.024 4.096 9.482 785 HB2 ASN 96 HB2 ASN 96 -0.230 7.073 9.971 786 HB3 ASN 96 HB1 ASN 96 1.109 6.360 9.069 787 HD21 ASN 96 HD21 ASN 96 -0.717 8.119 7.764 788 HD22 ASN 96 HD22 ASN 96 -1.632 7.223 6.650 789 H THR 97 HN THR 97 2.215 3.908 9.998 790 HA THR 97 HA THR 97 3.066 3.189 12.459 791 HB THR 97 HB THR 97 5.353 3.775 11.799 792 HG1 THR 97 HG1 THR 97 4.128 5.219 9.691 793 HG21 THR 97 HG21 THR 97 3.802 3.043 9.310 794 HG22 THR 97 HG22 THR 97 4.040 1.916 10.645 795 HG23 THR 97 HG23 THR 97 5.430 2.539 9.758 796 H VAL 98 HN VAL 98 3.490 6.588 11.340 797 HA VAL 98 HA VAL 98 3.126 7.467 14.161 798 HB VAL 98 HB VAL 98 5.448 8.499 12.523 799 HG11 VAL 98 HG11 VAL 98 4.770 9.888 14.404 800 HG12 VAL 98 HG12 VAL 98 6.279 9.077 14.818 801 HG13 VAL 98 HG13 VAL 98 4.753 8.490 15.478 802 HG21 VAL 98 HG21 VAL 98 6.858 6.939 13.898 803 HG22 VAL 98 HG22 VAL 98 5.809 6.107 12.749 804 HG23 VAL 98 HG23 VAL 98 5.376 6.165 14.457 805 H MET 99 HN MET 99 1.256 7.791 12.200 806 HA MET 99 HA MET 99 0.909 10.651 12.153 807 HB2 MET 99 HB2 MET 99 2.599 10.480 10.355 808 HB3 MET 99 HB1 MET 99 1.558 9.351 9.492 809 HG2 MET 99 HG2 MET 99 0.112 11.011 8.797 810 HG3 MET 99 HG1 MET 99 0.285 11.936 10.287 811 HE1 MET 99 HE1 MET 99 1.598 13.867 10.621 812 HE2 MET 99 HE2 MET 99 3.177 14.190 9.910 813 HE3 MET 99 HE3 MET 99 2.940 12.748 10.896 814 HA PRO 100 HA PRO 100 -2.709 7.633 11.522 815 HB2 PRO 100 HB2 PRO 100 -4.169 8.674 13.676 816 HB3 PRO 100 HB1 PRO 100 -3.142 7.229 13.745 817 HG2 PRO 100 HG2 PRO 100 -2.532 10.023 14.592 818 HG3 PRO 100 HG1 PRO 100 -2.073 8.486 15.350 819 HD2 PRO 100 HD2 PRO 100 -0.310 9.920 13.899 820 HD3 PRO 100 HD1 PRO 100 -0.283 8.145 13.888 821 H LEU 101 HN LEU 101 -3.903 8.395 9.858 822 HA LEU 101 HA LEU 101 -4.586 11.264 9.680 823 HB2 LEU 101 HB2 LEU 101 -5.308 9.031 7.765 824 HB3 LEU 101 HB1 LEU 101 -5.279 10.761 7.430 825 HG LEU 101 HG LEU 101 -2.863 9.064 8.129 826 HD11 LEU 101 HD11 LEU 101 -2.258 9.189 5.836 827 HD12 LEU 101 HD12 LEU 101 -3.460 10.435 5.501 828 HD13 LEU 101 HD13 LEU 101 -3.973 8.779 5.822 829 HD21 LEU 101 HD21 LEU 101 -1.703 11.233 7.283 830 HD22 LEU 101 HD22 LEU 101 -2.381 11.244 8.909 831 HD23 LEU 101 HD23 LEU 101 -3.257 12.012 7.583 832 H LEU 102 HN LEU 102 -6.515 8.348 8.978 833 HA LEU 102 HA LEU 102 -8.897 9.712 10.148 834 HB2 LEU 102 HB2 LEU 102 -8.989 8.861 7.803 835 HB3 LEU 102 HB1 LEU 102 -8.729 7.230 8.409 836 HG LEU 102 HG LEU 102 -10.965 8.716 9.727 837 HD11 LEU 102 HD11 LEU 102 -12.525 8.262 7.843 838 HD12 LEU 102 HD12 LEU 102 -11.147 7.818 6.836 839 HD13 LEU 102 HD13 LEU 102 -11.309 9.470 7.429 840 HD21 LEU 102 HD21 LEU 102 -10.727 5.947 8.493 841 HD22 LEU 102 HD22 LEU 102 -12.076 6.519 9.475 842 HD23 LEU 102 HD23 LEU 102 -10.482 6.328 10.195 843 H ASP 103 HN ASP 103 -9.663 9.049 12.068 844 HA ASP 103 HA ASP 103 -9.403 6.237 12.909 845 HB2 ASP 103 HB2 ASP 103 -8.318 6.818 15.056 846 HB3 ASP 103 HB1 ASP 103 -7.284 7.229 13.690 847 H GLN 104 HN GLN 104 -11.731 6.357 12.780 848 HA GLN 104 HA GLN 104 -13.060 8.151 14.775 849 HB2 GLN 104 HB2 GLN 104 -14.137 6.553 12.431 850 HB3 GLN 104 HB1 GLN 104 -15.145 7.472 13.552 851 HG2 GLN 104 HG2 GLN 104 -14.075 9.543 12.929 852 HG3 GLN 104 HG1 GLN 104 -12.869 8.690 11.965 853 HE21 GLN 104 HE21 GLN 104 -13.488 7.951 9.848 854 HE22 GLN 104 HE22 GLN 104 -14.985 8.340 9.146 855 H ARG 105 HN ARG 105 -13.324 7.181 16.717 856 HA ARG 105 HA ARG 105 -13.435 4.257 16.969 857 HB2 ARG 105 HB2 ARG 105 -13.674 6.490 19.009 858 HB3 ARG 105 HB1 ARG 105 -13.612 4.772 19.406 859 HG2 ARG 105 HG2 ARG 105 -11.404 4.569 18.405 860 HG3 ARG 105 HG1 ARG 105 -11.466 6.242 17.849 861 HD2 ARG 105 HD2 ARG 105 -10.140 6.122 19.899 862 HD3 ARG 105 HD1 ARG 105 -11.642 6.988 20.219 863 HE ARG 105 HE ARG 105 -12.374 5.168 21.564 864 HH11 ARG 105 HH21 ARG 105 -9.488 4.460 19.799 865 HH12 ARG 105 HH22 ARG 105 -9.152 3.010 20.684 866 HH21 ARG 105 HH11 ARG 105 -11.949 3.281 22.713 867 HH22 ARG 105 HH12 ARG 105 -10.543 2.342 22.330 868 H TYR 106 HN TYR 106 -15.642 7.010 17.473 869 HA TYR 106 HA TYR 106 -17.847 5.494 18.458 870 HB2 TYR 106 HB2 TYR 106 -19.220 7.411 17.841 871 HB3 TYR 106 HB1 TYR 106 -17.694 7.992 18.508 872 HD1 TYR 106 HD1 TYR 106 -15.955 8.945 17.044 873 HD2 TYR 106 HD2 TYR 106 -19.749 7.670 15.486 874 HE1 TYR 106 HE1 TYR 106 -15.512 10.191 14.946 875 HE2 TYR 106 HE2 TYR 106 -19.306 8.915 13.388 876 HH TYR 106 HH TYR 106 -17.254 9.721 12.130 877 H LEU 107 HN LEU 107 -16.951 6.436 15.141 878 HA LEU 107 HA LEU 107 -19.190 5.226 13.852 879 HB2 LEU 107 HB2 LEU 107 -17.655 6.803 12.714 880 HB3 LEU 107 HB1 LEU 107 -16.357 5.619 12.832 881 HG LEU 107 HG LEU 107 -17.624 4.056 11.419 882 HD11 LEU 107 HD11 LEU 107 -19.900 4.436 11.791 883 HD12 LEU 107 HD12 LEU 107 -19.680 5.200 10.219 884 HD13 LEU 107 HD13 LEU 107 -19.734 6.189 11.679 885 HD21 LEU 107 HD21 LEU 107 -16.118 5.650 10.326 886 HD22 LEU 107 HD22 LEU 107 -17.399 6.859 10.277 887 HD23 LEU 107 HD23 LEU 107 -17.539 5.388 9.315 888 H LEU 108 HN LEU 108 -15.943 3.977 14.640 889 HA LEU 108 HA LEU 108 -16.311 1.407 13.452 890 HB2 LEU 108 HB2 LEU 108 -14.179 2.629 14.480 891 HB3 LEU 108 HB1 LEU 108 -14.640 1.753 15.931 892 HG LEU 108 HG LEU 108 -13.055 0.403 14.706 893 HD11 LEU 108 HD11 LEU 108 -15.724 -0.836 14.073 894 HD12 LEU 108 HD12 LEU 108 -15.175 -0.641 15.740 895 HD13 LEU 108 HD13 LEU 108 -14.246 -1.626 14.613 896 HD21 LEU 108 HD21 LEU 108 -13.055 0.055 12.443 897 HD22 LEU 108 HD22 LEU 108 -13.911 1.589 12.434 898 HD23 LEU 108 HD23 LEU 108 -14.808 0.076 12.306 899 H THR 109 HN THR 109 -16.857 2.551 16.786 900 HA THR 109 HA THR 109 -18.090 -0.056 17.493 901 HB THR 109 HB THR 109 -17.889 2.329 19.338 902 HG1 THR 109 HG1 THR 109 -15.823 0.552 19.442 903 HG21 THR 109 HG21 THR 109 -19.073 0.085 19.875 904 HG22 THR 109 HG22 THR 109 -17.918 0.706 21.053 905 HG23 THR 109 HG23 THR 109 -17.446 -0.590 19.954 906 H GLY 110 HN GLY 110 -19.354 1.837 15.573 907 HA2 GLY 110 HA2 GLY 110 -22.049 1.624 16.465 908 HA3 GLY 110 HA1 GLY 110 -21.495 3.271 16.772 909 H GLY 111 HN GLY 111 -23.153 1.546 14.584 910 HA2 GLY 111 HA2 GLY 111 -22.601 3.491 12.430 911 HA3 GLY 111 HA1 GLY 111 -22.336 1.792 12.026 912 H GLN 112 HN GLN 112 -24.737 2.201 14.373 913 HA GLN 112 HA GLN 112 -26.847 1.598 12.358 914 HB2 GLN 112 HB2 GLN 112 -26.751 1.319 15.376 915 HB3 GLN 112 HB1 GLN 112 -28.176 0.962 14.397 916 HG2 GLN 112 HG2 GLN 112 -26.910 -0.715 13.127 917 HG3 GLN 112 HG1 GLN 112 -25.460 -0.345 14.059 918 HE21 GLN 112 HE21 GLN 112 -25.153 -2.131 15.410 919 HE22 GLN 112 HE22 GLN 112 -26.358 -2.815 16.392 920 H LEU 113 HN LEU 113 -28.100 3.242 11.713 921 HA LEU 113 HA LEU 113 -28.072 5.815 13.057 922 HB2 LEU 113 HB2 LEU 113 -29.856 4.814 10.817 923 HB3 LEU 113 HB1 LEU 113 -29.614 6.498 11.279 924 HG LEU 113 HG LEU 113 -27.424 4.635 10.309 925 HD11 LEU 113 HD11 LEU 113 -27.531 5.773 8.212 926 HD12 LEU 113 HD12 LEU 113 -28.623 7.001 8.853 927 HD13 LEU 113 HD13 LEU 113 -29.196 5.350 8.612 928 HD21 LEU 113 HD21 LEU 113 -26.316 6.234 11.618 929 HD22 LEU 113 HD22 LEU 113 -27.492 7.499 11.257 930 HD23 LEU 113 HD23 LEU 113 -26.310 7.017 10.040 931 H GLU 114 HN GLU 114 -29.777 6.800 14.182 932 HA GLU 114 HA GLU 114 -31.414 5.057 15.778 933 HB2 GLU 114 HB2 GLU 114 -31.551 8.057 15.340 934 HB3 GLU 114 HB1 GLU 114 -32.452 7.186 16.581 935 HG2 GLU 114 HG2 GLU 114 -29.428 7.171 16.330 936 HG3 GLU 114 HG1 GLU 114 -30.332 8.191 17.448 937 H HIS 115 HN HIS 115 -33.300 4.129 15.216 938 HA HIS 115 HA HIS 115 -35.275 5.591 13.625 939 HB2 HIS 115 HB2 HIS 115 -35.438 3.869 11.856 940 HB3 HIS 115 HB1 HIS 115 -33.861 4.657 11.844 941 HD1 HIS 115 HD1 HIS 115 -32.146 3.236 13.708 942 HD2 HIS 115 HD2 HIS 115 -35.067 1.162 11.576 943 HE1 HIS 115 HE1 HIS 115 -31.434 0.806 13.695 944 H HIS 116 HN HIS 116 -37.352 4.502 13.637 945 HA HIS 116 HA HIS 116 -37.622 2.588 15.914 946 HB2 HIS 116 HB2 HIS 116 -38.940 4.671 16.042 947 HB3 HIS 116 HB1 HIS 116 -39.698 4.291 14.496 948 HD1 HIS 116 HD1 HIS 116 -39.362 2.818 17.995 949 HD2 HIS 116 HD2 HIS 116 -41.933 2.655 14.717 950 HE1 HIS 116 HE1 HIS 116 -41.364 1.447 18.721 951 H HIS 117 HN HIS 117 -36.630 1.441 13.615 952 HA HIS 117 HA HIS 117 -37.062 -0.152 11.937 953 HB2 HIS 117 HB2 HIS 117 -37.498 -1.409 14.045 954 HB3 HIS 117 HB1 HIS 117 -39.197 -0.952 13.939 955 HD1 HIS 117 HD1 HIS 117 -40.635 -2.081 12.102 956 HD2 HIS 117 HD2 HIS 117 -36.666 -3.359 12.125 957 HE1 HIS 117 HE1 HIS 117 -40.527 -4.116 10.595 958 H HIS 118 HN HIS 118 -40.314 -0.820 12.525 959 HA HIS 118 HA HIS 118 -41.501 1.297 10.930 960 HB2 HIS 118 HB2 HIS 118 -40.325 0.071 9.142 961 HB3 HIS 118 HB1 HIS 118 -41.111 -1.425 9.646 962 HD1 HIS 118 HD1 HIS 118 -43.779 -1.486 9.396 963 HD2 HIS 118 HD2 HIS 118 -41.881 1.694 7.483 964 HE1 HIS 118 HE1 HIS 118 -45.461 -0.525 7.765 965 H HIS 119 HN HIS 119 -43.366 1.436 12.084 966 HA HIS 119 HA HIS 119 -45.070 -0.987 12.297 967 HB2 HIS 119 HB2 HIS 119 -44.209 0.713 14.652 968 HB3 HIS 119 HB1 HIS 119 -45.557 -0.424 14.704 969 HD1 HIS 119 HD1 HIS 119 -41.829 -0.256 14.648 970 HD2 HIS 119 HD2 HIS 119 -44.787 -3.190 14.508 971 HE1 HIS 119 HE1 HIS 119 -40.660 -2.471 15.023 972 H HIS 120 HN HIS 120 -47.290 -0.502 12.390 973 HA HIS 120 HA HIS 120 -48.275 2.198 12.777 974 HB2 HIS 120 HB2 HIS 120 -47.351 2.481 10.518 975 HB3 HIS 120 HB1 HIS 120 -48.252 1.071 9.959 976 HD1 HIS 120 HD1 HIS 120 -48.920 4.482 11.516 977 HD2 HIS 120 HD2 HIS 120 -50.819 1.665 9.102 978 HE1 HIS 120 HE1 HIS 120 -51.116 5.519 10.798 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -7.711 -7.308 20.964 2 H2 MET 1 HT2 MET 1 -9.301 -7.875 21.158 3 H3 MET 1 HT3 MET 1 -9.014 -6.226 20.863 4 HA MET 1 HA MET 1 -8.341 -6.615 18.659 5 HB2 MET 1 HB2 MET 1 -8.347 -9.059 17.849 6 HB3 MET 1 HB1 MET 1 -6.991 -8.566 18.860 7 HG2 MET 1 HG2 MET 1 -8.065 -9.532 20.832 8 HG3 MET 1 HG1 MET 1 -9.486 -9.951 19.879 9 HE1 MET 1 HE1 MET 1 -5.863 -10.218 20.492 10 HE2 MET 1 HE2 MET 1 -5.524 -10.408 18.774 11 HE3 MET 1 HE3 MET 1 -5.320 -11.778 19.861 12 H THR 2 HN THR 2 -10.720 -5.946 19.888 13 HA THR 2 HA THR 2 -12.865 -7.700 18.917 14 HB THR 2 HB THR 2 -13.065 -4.883 20.017 15 HG1 THR 2 HG1 THR 2 -12.669 -5.689 21.894 16 HG21 THR 2 HG21 THR 2 -15.312 -5.856 20.795 17 HG22 THR 2 HG22 THR 2 -15.009 -7.166 19.656 18 HG23 THR 2 HG23 THR 2 -15.147 -5.508 19.077 19 H LEU 3 HN LEU 3 -10.814 -5.567 17.451 20 HA LEU 3 HA LEU 3 -12.549 -4.011 15.778 21 HB2 LEU 3 HB2 LEU 3 -9.728 -5.028 15.371 22 HB3 LEU 3 HB1 LEU 3 -10.524 -3.932 14.249 23 HG LEU 3 HG LEU 3 -10.177 -3.350 17.208 24 HD11 LEU 3 HD11 LEU 3 -8.498 -2.422 14.854 25 HD12 LEU 3 HD12 LEU 3 -7.978 -3.538 16.122 26 HD13 LEU 3 HD13 LEU 3 -8.330 -1.857 16.517 27 HD21 LEU 3 HD21 LEU 3 -11.887 -1.927 16.454 28 HD22 LEU 3 HD22 LEU 3 -11.208 -1.798 14.832 29 HD23 LEU 3 HD23 LEU 3 -10.461 -0.938 16.172 30 H GLU 4 HN GLU 4 -11.119 -7.228 15.423 31 HA GLU 4 HA GLU 4 -11.953 -7.719 12.747 32 HB2 GLU 4 HB2 GLU 4 -11.650 -9.674 15.047 33 HB3 GLU 4 HB1 GLU 4 -11.683 -10.100 13.335 34 HG2 GLU 4 HG2 GLU 4 -9.638 -8.272 14.630 35 HG3 GLU 4 HG1 GLU 4 -9.365 -9.967 14.226 36 H LEU 5 HN LEU 5 -13.513 -8.696 15.822 37 HA LEU 5 HA LEU 5 -15.880 -9.711 14.572 38 HB2 LEU 5 HB2 LEU 5 -15.267 -10.313 16.874 39 HB3 LEU 5 HB1 LEU 5 -15.470 -8.635 17.378 40 HG LEU 5 HG LEU 5 -17.857 -8.719 16.829 41 HD11 LEU 5 HD11 LEU 5 -18.739 -11.150 16.325 42 HD12 LEU 5 HD12 LEU 5 -17.104 -11.414 15.720 43 HD13 LEU 5 HD13 LEU 5 -18.119 -10.158 15.008 44 HD21 LEU 5 HD21 LEU 5 -18.575 -10.208 18.591 45 HD22 LEU 5 HD22 LEU 5 -17.019 -9.526 19.066 46 HD23 LEU 5 HD23 LEU 5 -17.106 -11.173 18.441 47 H GLN 6 HN GLN 6 -15.121 -6.543 16.002 48 HA GLN 6 HA GLN 6 -17.733 -5.429 15.615 49 HB2 GLN 6 HB2 GLN 6 -15.957 -4.495 17.128 50 HB3 GLN 6 HB1 GLN 6 -15.084 -3.960 15.693 51 HG2 GLN 6 HG2 GLN 6 -16.395 -2.099 16.530 52 HG3 GLN 6 HG1 GLN 6 -17.115 -2.648 15.017 53 HE21 GLN 6 HE21 GLN 6 -19.318 -2.126 15.452 54 HE22 GLN 6 HE22 GLN 6 -20.202 -2.814 16.728 55 H LEU 7 HN LEU 7 -14.859 -5.601 13.570 56 HA LEU 7 HA LEU 7 -15.727 -3.777 11.561 57 HB2 LEU 7 HB2 LEU 7 -13.416 -4.598 11.663 58 HB3 LEU 7 HB1 LEU 7 -13.966 -6.237 11.322 59 HG LEU 7 HG LEU 7 -14.771 -5.544 9.114 60 HD11 LEU 7 HD11 LEU 7 -14.035 -2.811 10.146 61 HD12 LEU 7 HD12 LEU 7 -15.500 -3.328 9.307 62 HD13 LEU 7 HD13 LEU 7 -14.000 -3.138 8.418 63 HD21 LEU 7 HD21 LEU 7 -12.414 -6.236 9.343 64 HD22 LEU 7 HD22 LEU 7 -11.953 -4.567 9.665 65 HD23 LEU 7 HD23 LEU 7 -12.594 -5.015 8.083 66 H LYS 8 HN LYS 8 -16.197 -7.284 11.910 67 HA LYS 8 HA LYS 8 -17.565 -7.697 9.437 68 HB2 LYS 8 HB2 LYS 8 -17.735 -9.152 12.088 69 HB3 LYS 8 HB1 LYS 8 -18.502 -9.727 10.609 70 HG2 LYS 8 HG2 LYS 8 -16.293 -9.786 9.495 71 HG3 LYS 8 HG1 LYS 8 -15.533 -9.229 10.987 72 HD2 LYS 8 HD2 LYS 8 -16.312 -11.232 12.166 73 HD3 LYS 8 HD1 LYS 8 -17.148 -11.782 10.713 74 HE2 LYS 8 HE2 LYS 8 -15.000 -12.934 10.904 75 HE3 LYS 8 HE1 LYS 8 -14.967 -11.846 9.515 76 HZ1 LYS 8 HZ1 LYS 8 -13.897 -11.203 12.211 77 HZ2 LYS 8 HZ2 LYS 8 -13.812 -10.212 10.833 78 HZ3 LYS 8 HZ3 LYS 8 -12.960 -11.680 10.880 79 H HIS 9 HN HIS 9 -18.717 -6.809 12.671 80 HA HIS 9 HA HIS 9 -21.508 -6.956 12.156 81 HB2 HIS 9 HB2 HIS 9 -20.532 -6.670 14.410 82 HB3 HIS 9 HB1 HIS 9 -20.028 -5.039 13.973 83 HD1 HIS 9 HD1 HIS 9 -23.262 -7.070 14.103 84 HD2 HIS 9 HD2 HIS 9 -21.951 -3.136 14.527 85 HE1 HIS 9 HE1 HIS 9 -25.286 -5.710 14.786 86 H TYR 10 HN TYR 10 -19.203 -4.273 11.720 87 HA TYR 10 HA TYR 10 -21.117 -2.319 10.895 88 HB2 TYR 10 HB2 TYR 10 -18.755 -1.804 11.516 89 HB3 TYR 10 HB1 TYR 10 -18.225 -2.578 10.020 90 HD1 TYR 10 HD1 TYR 10 -20.213 0.224 11.413 91 HD2 TYR 10 HD2 TYR 10 -18.415 -1.466 7.902 92 HE1 TYR 10 HE1 TYR 10 -20.661 2.323 10.176 93 HE2 TYR 10 HE2 TYR 10 -18.860 0.636 6.660 94 HH TYR 10 HH TYR 10 -20.914 3.098 7.907 95 H ILE 11 HN ILE 11 -19.052 -4.498 8.958 96 HA ILE 11 HA ILE 11 -20.108 -3.681 6.422 97 HB ILE 11 HB ILE 11 -18.738 -6.218 7.333 98 HG12 ILE 11 HG12 ILE 11 -17.406 -4.140 7.441 99 HG13 ILE 11 HG11 ILE 11 -16.786 -5.245 6.219 100 HG21 ILE 11 HG21 ILE 11 -18.294 -6.483 4.814 101 HG22 ILE 11 HG22 ILE 11 -19.636 -5.363 4.583 102 HG23 ILE 11 HG23 ILE 11 -19.905 -6.907 5.394 103 HD11 ILE 11 HD11 ILE 11 -18.489 -3.757 4.684 104 HD12 ILE 11 HD12 ILE 11 -16.803 -3.370 4.919 105 HD13 ILE 11 HD13 ILE 11 -18.030 -2.569 5.892 106 H THR 12 HN THR 12 -20.960 -6.370 8.588 107 HA THR 12 HA THR 12 -22.935 -7.499 6.862 108 HB THR 12 HB THR 12 -23.780 -8.561 8.975 109 HG1 THR 12 HG1 THR 12 -22.210 -8.024 10.770 110 HG21 THR 12 HG21 THR 12 -20.877 -8.583 8.183 111 HG22 THR 12 HG22 THR 12 -22.080 -9.866 8.050 112 HG23 THR 12 HG23 THR 12 -21.375 -9.473 9.619 113 H ASN 13 HN ASN 13 -23.221 -5.172 9.551 114 HA ASN 13 HA ASN 13 -26.064 -4.821 9.298 115 HB2 ASN 13 HB2 ASN 13 -24.818 -4.184 11.325 116 HB3 ASN 13 HB1 ASN 13 -23.960 -2.944 10.409 117 HD21 ASN 13 HD21 ASN 13 -24.845 -1.094 11.482 118 HD22 ASN 13 HD22 ASN 13 -26.495 -0.698 11.427 119 H LEU 14 HN LEU 14 -23.275 -3.089 7.937 120 HA LEU 14 HA LEU 14 -24.756 -0.990 6.694 121 HB2 LEU 14 HB2 LEU 14 -22.316 -0.893 6.994 122 HB3 LEU 14 HB1 LEU 14 -22.115 -2.238 5.874 123 HG LEU 14 HG LEU 14 -23.062 -0.892 4.048 124 HD11 LEU 14 HD11 LEU 14 -24.627 0.573 4.998 125 HD12 LEU 14 HD12 LEU 14 -23.293 1.659 4.631 126 HD13 LEU 14 HD13 LEU 14 -23.526 1.079 6.280 127 HD21 LEU 14 HD21 LEU 14 -20.952 0.707 5.525 128 HD22 LEU 14 HD22 LEU 14 -21.216 0.649 3.782 129 HD23 LEU 14 HD23 LEU 14 -20.608 -0.773 4.631 130 H PHE 15 HN PHE 15 -23.721 -4.174 5.459 131 HA PHE 15 HA PHE 15 -25.328 -3.711 2.985 132 HB2 PHE 15 HB2 PHE 15 -23.140 -5.652 3.741 133 HB3 PHE 15 HB1 PHE 15 -24.171 -5.938 2.332 134 HD1 PHE 15 HD2 PHE 15 -24.300 -4.164 0.534 135 HD2 PHE 15 HD1 PHE 15 -21.369 -4.070 3.670 136 HE1 PHE 15 HE2 PHE 15 -22.935 -2.575 -0.791 137 HE2 PHE 15 HE1 PHE 15 -20.002 -2.480 2.346 138 HZ PHE 15 HZ PHE 15 -20.786 -1.733 0.114 139 H ASN 16 HN ASN 16 -25.866 -4.799 6.002 140 HA ASN 16 HA ASN 16 -27.441 -6.233 6.966 141 HB2 ASN 16 HB2 ASN 16 -28.873 -4.832 5.416 142 HB3 ASN 16 HB1 ASN 16 -28.761 -6.143 4.241 143 HD21 ASN 16 HD21 ASN 16 -30.265 -5.125 7.237 144 HD22 ASN 16 HD22 ASN 16 -31.236 -6.502 7.449 145 H LEU 17 HN LEU 17 -25.161 -7.549 6.014 146 HA LEU 17 HA LEU 17 -26.148 -9.976 4.604 147 HB2 LEU 17 HB2 LEU 17 -23.322 -9.320 5.485 148 HB3 LEU 17 HB1 LEU 17 -23.806 -10.550 4.330 149 HG LEU 17 HG LEU 17 -24.304 -7.599 3.951 150 HD11 LEU 17 HD11 LEU 17 -21.891 -8.093 3.948 151 HD12 LEU 17 HD12 LEU 17 -22.449 -7.693 2.324 152 HD13 LEU 17 HD13 LEU 17 -22.155 -9.374 2.765 153 HD21 LEU 17 HD21 LEU 17 -24.561 -8.435 1.528 154 HD22 LEU 17 HD22 LEU 17 -25.871 -8.812 2.640 155 HD23 LEU 17 HD23 LEU 17 -24.684 -10.047 2.226 156 HA PRO 18 HA PRO 18 -26.435 -12.211 8.431 157 HB2 PRO 18 HB2 PRO 18 -25.906 -14.772 7.582 158 HB3 PRO 18 HB1 PRO 18 -27.435 -13.934 7.247 159 HG2 PRO 18 HG2 PRO 18 -25.046 -14.275 5.481 160 HG3 PRO 18 HG1 PRO 18 -26.770 -14.439 5.087 161 HD2 PRO 18 HD2 PRO 18 -25.378 -12.199 4.472 162 HD3 PRO 18 HD1 PRO 18 -27.090 -12.132 4.930 163 H ARG 19 HN ARG 19 -24.870 -11.885 9.937 164 HA ARG 19 HA ARG 19 -22.043 -12.255 9.399 165 HB2 ARG 19 HB2 ARG 19 -21.747 -11.614 11.741 166 HB3 ARG 19 HB1 ARG 19 -22.921 -10.545 10.976 167 HG2 ARG 19 HG2 ARG 19 -24.760 -11.950 11.896 168 HG3 ARG 19 HG1 ARG 19 -23.560 -12.928 12.741 169 HD2 ARG 19 HD2 ARG 19 -24.406 -11.267 14.290 170 HD3 ARG 19 HD1 ARG 19 -22.745 -10.852 13.874 171 HE ARG 19 HE ARG 19 -23.538 -8.950 12.692 172 HH11 ARG 19 HH21 ARG 19 -26.084 -11.046 13.728 173 HH12 ARG 19 HH22 ARG 19 -27.340 -9.919 13.343 174 HH21 ARG 19 HH11 ARG 19 -25.169 -7.480 12.184 175 HH22 ARG 19 HH12 ARG 19 -26.824 -7.904 12.467 176 H ASP 20 HN ASP 20 -24.500 -14.424 10.088 177 HA ASP 20 HA ASP 20 -23.015 -16.220 11.839 178 HB2 ASP 20 HB2 ASP 20 -25.501 -16.588 10.145 179 HB3 ASP 20 HB1 ASP 20 -24.850 -17.838 11.203 180 H GLU 21 HN GLU 21 -22.575 -15.371 8.664 181 HA GLU 21 HA GLU 21 -21.790 -18.107 7.769 182 HB2 GLU 21 HB2 GLU 21 -23.176 -16.749 6.234 183 HB3 GLU 21 HB1 GLU 21 -21.928 -15.504 6.215 184 HG2 GLU 21 HG2 GLU 21 -20.323 -17.091 5.258 185 HG3 GLU 21 HG1 GLU 21 -21.522 -18.382 5.341 186 H LYS 22 HN LYS 22 -19.735 -18.673 8.163 187 HA LYS 22 HA LYS 22 -17.726 -16.685 8.834 188 HB2 LYS 22 HB2 LYS 22 -17.715 -18.852 9.959 189 HB3 LYS 22 HB1 LYS 22 -17.521 -19.681 8.417 190 HG2 LYS 22 HG2 LYS 22 -15.367 -19.512 9.594 191 HG3 LYS 22 HG1 LYS 22 -15.321 -18.577 8.106 192 HD2 LYS 22 HD2 LYS 22 -15.495 -16.513 9.252 193 HD3 LYS 22 HD1 LYS 22 -16.084 -17.287 10.726 194 HE2 LYS 22 HE2 LYS 22 -13.306 -17.646 9.569 195 HE3 LYS 22 HE1 LYS 22 -13.709 -16.566 10.904 196 HZ1 LYS 22 HZ1 LYS 22 -13.926 -19.518 10.825 197 HZ2 LYS 22 HZ2 LYS 22 -14.667 -18.574 12.029 198 HZ3 LYS 22 HZ3 LYS 22 -12.976 -18.571 11.863 199 H TRP 23 HN TRP 23 -16.029 -15.983 7.561 200 HA TRP 23 HA TRP 23 -16.182 -16.684 4.658 201 HB2 TRP 23 HB2 TRP 23 -14.671 -14.390 5.923 202 HB3 TRP 23 HB1 TRP 23 -15.167 -14.567 4.240 203 HD1 TRP 23 HD1 TRP 23 -18.176 -15.654 5.227 204 HE1 TRP 23 HE1 TRP 23 -19.879 -13.851 5.901 205 HE3 TRP 23 HE3 TRP 23 -15.015 -11.733 6.110 206 HZ2 TRP 23 HZ2 TRP 23 -19.911 -11.109 6.698 207 HZ3 TRP 23 HZ3 TRP 23 -15.915 -9.536 6.821 208 HH2 TRP 23 HH2 TRP 23 -18.357 -9.220 7.117 209 H GLU 24 HN GLU 24 -13.948 -16.557 3.549 210 HA GLU 24 HA GLU 24 -11.973 -18.101 5.193 211 HB2 GLU 24 HB2 GLU 24 -12.946 -19.230 3.165 212 HB3 GLU 24 HB1 GLU 24 -12.224 -17.961 2.176 213 HG2 GLU 24 HG2 GLU 24 -10.705 -19.835 2.173 214 HG3 GLU 24 HG1 GLU 24 -9.983 -18.574 3.171 215 H CYS 25 HN CYS 25 -10.153 -17.027 5.709 216 HA CYS 25 HA CYS 25 -9.511 -14.505 4.265 217 HB2 CYS 25 HB2 CYS 25 -8.085 -15.475 6.734 218 HB3 CYS 25 HB1 CYS 25 -8.381 -13.821 6.195 219 HG CYS 25 HG CYS 25 -10.238 -15.440 7.937 220 H GLU 26 HN GLU 26 -7.634 -14.245 3.143 221 HA GLU 26 HA GLU 26 -5.711 -16.543 3.054 222 HB2 GLU 26 HB2 GLU 26 -7.204 -16.378 1.024 223 HB3 GLU 26 HB1 GLU 26 -6.524 -14.778 0.725 224 HG2 GLU 26 HG2 GLU 26 -5.272 -16.337 -0.611 225 HG3 GLU 26 HG1 GLU 26 -4.234 -15.860 0.732 226 H SER 27 HN SER 27 -3.772 -15.852 3.791 227 HA SER 27 HA SER 27 -3.181 -12.954 3.844 228 HB2 SER 27 HB2 SER 27 -2.716 -14.223 5.866 229 HB3 SER 27 HB1 SER 27 -1.730 -15.366 4.963 230 HG SER 27 HG SER 27 -0.834 -13.314 6.156 231 H ILE 28 HN ILE 28 -2.313 -12.139 2.016 232 HA ILE 28 HA ILE 28 -0.216 -13.740 0.586 233 HB ILE 28 HB ILE 28 -2.179 -11.735 -0.560 234 HG12 ILE 28 HG12 ILE 28 -3.282 -13.835 0.026 235 HG13 ILE 28 HG11 ILE 28 -3.117 -13.721 -1.721 236 HG21 ILE 28 HG21 ILE 28 0.026 -13.398 -1.796 237 HG22 ILE 28 HG22 ILE 28 -0.133 -11.641 -1.809 238 HG23 ILE 28 HG23 ILE 28 -1.252 -12.637 -2.742 239 HD11 ILE 28 HD11 ILE 28 -0.856 -15.057 -1.267 240 HD12 ILE 28 HD12 ILE 28 -2.391 -15.901 -1.375 241 HD13 ILE 28 HD13 ILE 28 -1.701 -15.533 0.199 242 H GLU 29 HN GLU 29 1.697 -12.774 0.304 243 HA GLU 29 HA GLU 29 2.178 -10.218 1.625 244 HB2 GLU 29 HB2 GLU 29 3.966 -12.137 0.106 245 HB3 GLU 29 HB1 GLU 29 4.553 -10.666 0.888 246 HG2 GLU 29 HG2 GLU 29 3.749 -11.454 3.057 247 HG3 GLU 29 HG1 GLU 29 3.046 -12.885 2.304 248 H GLU 30 HN GLU 30 2.056 -8.265 0.613 249 HA GLU 30 HA GLU 30 2.845 -8.049 -2.223 250 HB2 GLU 30 HB2 GLU 30 0.427 -8.625 -2.315 251 HB3 GLU 30 HB1 GLU 30 0.073 -7.225 -1.300 252 HG2 GLU 30 HG2 GLU 30 0.999 -5.720 -2.995 253 HG3 GLU 30 HG1 GLU 30 1.458 -7.096 -3.997 254 H VAL 31 HN VAL 31 3.239 -5.871 -2.859 255 HA VAL 31 HA VAL 31 4.245 -4.179 -0.779 256 HB VAL 31 HB VAL 31 3.689 -3.649 -3.703 257 HG11 VAL 31 HG11 VAL 31 5.100 -2.004 -1.588 258 HG12 VAL 31 HG12 VAL 31 3.761 -1.509 -2.625 259 HG13 VAL 31 HG13 VAL 31 5.363 -1.766 -3.315 260 HG21 VAL 31 HG21 VAL 31 5.372 -5.420 -3.107 261 HG22 VAL 31 HG22 VAL 31 6.277 -4.195 -2.217 262 HG23 VAL 31 HG23 VAL 31 6.073 -4.048 -3.963 263 H ALA 32 HN ALA 32 3.295 -2.537 0.313 264 HA ALA 32 HA ALA 32 0.464 -2.227 0.387 265 HB1 ALA 32 HB1 ALA 32 1.708 -1.578 2.306 266 HB2 ALA 32 HB2 ALA 32 1.089 -0.069 1.640 267 HB3 ALA 32 HB3 ALA 32 2.767 -0.535 1.358 268 H ASP 33 HN ASP 33 2.977 -0.393 -1.316 269 HA ASP 33 HA ASP 33 1.340 1.763 -2.210 270 HB2 ASP 33 HB2 ASP 33 3.885 1.545 -2.313 271 HB3 ASP 33 HB1 ASP 33 3.640 0.576 -3.766 272 H ASP 34 HN ASP 34 1.853 -1.478 -3.530 273 HA ASP 34 HA ASP 34 0.568 -0.964 -6.058 274 HB2 ASP 34 HB2 ASP 34 1.097 -3.510 -4.512 275 HB3 ASP 34 HB1 ASP 34 0.362 -3.494 -6.115 276 H ILE 35 HN ILE 35 -0.699 -1.120 -2.930 277 HA ILE 35 HA ILE 35 -3.449 -1.630 -4.017 278 HB ILE 35 HB ILE 35 -4.012 -2.693 -1.840 279 HG12 ILE 35 HG12 ILE 35 -1.016 -2.727 -1.370 280 HG13 ILE 35 HG11 ILE 35 -2.095 -1.572 -0.593 281 HG21 ILE 35 HG21 ILE 35 -2.984 -4.819 -2.351 282 HG22 ILE 35 HG22 ILE 35 -1.656 -4.028 -3.200 283 HG23 ILE 35 HG23 ILE 35 -3.285 -3.990 -3.878 284 HD11 ILE 35 HD11 ILE 35 -2.135 -4.586 -0.329 285 HD12 ILE 35 HD12 ILE 35 -3.438 -3.548 0.255 286 HD13 ILE 35 HD13 ILE 35 -1.819 -3.401 0.939 287 H LEU 36 HN LEU 36 -1.362 0.268 -2.003 288 HA LEU 36 HA LEU 36 -3.693 1.924 -1.121 289 HB2 LEU 36 HB2 LEU 36 -0.979 1.468 0.096 290 HB3 LEU 36 HB1 LEU 36 -1.971 2.847 0.546 291 HG LEU 36 HG LEU 36 -3.212 0.102 0.581 292 HD11 LEU 36 HD11 LEU 36 -1.279 1.234 2.606 293 HD12 LEU 36 HD12 LEU 36 -1.280 -0.368 1.867 294 HD13 LEU 36 HD13 LEU 36 -2.509 0.054 3.059 295 HD21 LEU 36 HD21 LEU 36 -3.565 2.589 2.294 296 HD22 LEU 36 HD22 LEU 36 -4.527 1.117 2.412 297 HD23 LEU 36 HD23 LEU 36 -4.617 2.113 0.964 298 HA PRO 37 HA PRO 37 -1.936 4.565 -4.438 299 HB2 PRO 37 HB2 PRO 37 -4.023 6.339 -3.184 300 HB3 PRO 37 HB1 PRO 37 -3.658 6.076 -4.903 301 HG2 PRO 37 HG2 PRO 37 -5.748 4.898 -3.816 302 HG3 PRO 37 HG1 PRO 37 -4.702 3.998 -4.934 303 HD2 PRO 37 HD2 PRO 37 -4.864 3.803 -1.944 304 HD3 PRO 37 HD1 PRO 37 -4.575 2.526 -3.152 305 H ASP 38 HN ASP 38 -0.583 6.410 -4.414 306 HA ASP 38 HA ASP 38 1.010 6.905 -2.167 307 HB2 ASP 38 HB2 ASP 38 0.343 8.685 -4.523 308 HB3 ASP 38 HB1 ASP 38 1.589 9.079 -3.339 309 H GLN 39 HN GLN 39 -2.214 7.794 -2.607 310 HA GLN 39 HA GLN 39 -2.331 10.327 -1.295 311 HB2 GLN 39 HB2 GLN 39 -4.359 8.079 -1.426 312 HB3 GLN 39 HB1 GLN 39 -4.714 9.719 -0.883 313 HG2 GLN 39 HG2 GLN 39 -3.598 9.023 -3.616 314 HG3 GLN 39 HG1 GLN 39 -5.303 9.338 -3.283 315 HE21 GLN 39 HE21 GLN 39 -2.758 10.867 -4.608 316 HE22 GLN 39 HE22 GLN 39 -3.043 12.461 -4.097 317 H TYR 40 HN TYR 40 -2.457 7.003 -0.013 318 HA TYR 40 HA TYR 40 -2.403 8.129 2.768 319 HB2 TYR 40 HB2 TYR 40 -3.237 5.416 1.711 320 HB3 TYR 40 HB1 TYR 40 -3.124 5.818 3.426 321 HD1 TYR 40 HD2 TYR 40 -4.664 7.418 4.453 322 HD2 TYR 40 HD1 TYR 40 -4.982 6.378 0.298 323 HE1 TYR 40 HE2 TYR 40 -6.920 8.441 4.372 324 HE2 TYR 40 HE1 TYR 40 -7.241 7.403 0.216 325 HH TYR 40 HH TYR 40 -9.100 7.893 1.934 326 H VAL 41 HN VAL 41 -0.314 6.940 0.461 327 HA VAL 41 HA VAL 41 1.446 5.623 2.504 328 HB VAL 41 HB VAL 41 1.712 5.448 -0.498 329 HG11 VAL 41 HG11 VAL 41 2.729 3.722 1.778 330 HG12 VAL 41 HG12 VAL 41 3.696 4.890 0.877 331 HG13 VAL 41 HG13 VAL 41 3.047 3.465 0.063 332 HG21 VAL 41 HG21 VAL 41 0.652 3.154 -0.132 333 HG22 VAL 41 HG22 VAL 41 -0.447 4.529 -0.017 334 HG23 VAL 41 HG23 VAL 41 0.142 3.744 1.449 335 H ARG 42 HN ARG 42 2.580 7.337 3.333 336 HA ARG 42 HA ARG 42 4.720 8.446 1.765 337 HB2 ARG 42 HB2 ARG 42 4.055 10.802 1.764 338 HB3 ARG 42 HB1 ARG 42 2.837 9.860 0.907 339 HG2 ARG 42 HG2 ARG 42 1.492 9.783 3.024 340 HG3 ARG 42 HG1 ARG 42 2.676 10.864 3.761 341 HD2 ARG 42 HD2 ARG 42 1.155 11.521 1.227 342 HD3 ARG 42 HD1 ARG 42 0.670 12.061 2.834 343 HE ARG 42 HE ARG 42 3.374 12.813 2.480 344 HH11 ARG 42 HH21 ARG 42 0.261 13.416 1.118 345 HH12 ARG 42 HH22 ARG 42 0.630 15.048 0.670 346 HH21 ARG 42 HH11 ARG 42 3.865 14.936 1.907 347 HH22 ARG 42 HH12 ARG 42 2.670 15.910 1.117 348 H LEU 43 HN LEU 43 3.164 7.695 4.601 349 HA LEU 43 HA LEU 43 4.337 9.510 6.480 350 HB2 LEU 43 HB2 LEU 43 3.241 6.705 6.661 351 HB3 LEU 43 HB1 LEU 43 3.983 7.465 8.065 352 HG LEU 43 HG LEU 43 1.488 7.762 7.938 353 HD11 LEU 43 HD11 LEU 43 1.577 9.851 8.906 354 HD12 LEU 43 HD12 LEU 43 2.609 10.525 7.648 355 HD13 LEU 43 HD13 LEU 43 3.301 9.506 8.904 356 HD21 LEU 43 HD21 LEU 43 0.516 9.135 6.241 357 HD22 LEU 43 HD22 LEU 43 1.553 7.990 5.396 358 HD23 LEU 43 HD23 LEU 43 2.094 9.648 5.653 359 H GLY 44 HN GLY 44 5.455 6.392 5.169 360 HA2 GLY 44 HA2 GLY 44 7.992 6.438 4.766 361 HA3 GLY 44 HA1 GLY 44 8.121 6.853 6.466 362 HA PRO 45 HA PRO 45 7.971 2.688 7.936 363 HB2 PRO 45 HB2 PRO 45 5.159 2.965 8.936 364 HB3 PRO 45 HB1 PRO 45 6.621 2.463 9.807 365 HG2 PRO 45 HG2 PRO 45 5.552 4.886 10.147 366 HG3 PRO 45 HG1 PRO 45 7.309 4.635 10.170 367 HD2 PRO 45 HD2 PRO 45 5.612 5.845 8.026 368 HD3 PRO 45 HD1 PRO 45 7.285 6.216 8.484 369 H LEU 46 HN LEU 46 4.852 3.552 6.426 370 HA LEU 46 HA LEU 46 4.450 0.767 5.520 371 HB2 LEU 46 HB2 LEU 46 2.797 3.212 4.839 372 HB3 LEU 46 HB1 LEU 46 2.298 1.523 4.768 373 HG LEU 46 HG LEU 46 3.016 3.060 7.284 374 HD11 LEU 46 HD11 LEU 46 0.356 1.972 6.310 375 HD12 LEU 46 HD12 LEU 46 0.826 3.672 6.290 376 HD13 LEU 46 HD13 LEU 46 0.634 2.829 7.827 377 HD21 LEU 46 HD21 LEU 46 3.640 0.814 7.705 378 HD22 LEU 46 HD22 LEU 46 2.292 0.171 6.767 379 HD23 LEU 46 HD23 LEU 46 2.000 0.919 8.337 380 H SER 47 HN SER 47 6.216 3.382 4.495 381 HA SER 47 HA SER 47 5.672 3.274 1.650 382 HB2 SER 47 HB2 SER 47 8.162 4.339 2.979 383 HB3 SER 47 HB1 SER 47 7.489 4.804 1.419 384 HG SER 47 HG SER 47 5.580 5.449 2.692 385 H ASN 48 HN ASN 48 6.735 2.175 0.066 386 HA ASN 48 HA ASN 48 7.834 0.314 -0.839 387 HB2 ASN 48 HB2 ASN 48 10.318 0.440 -0.454 388 HB3 ASN 48 HB1 ASN 48 9.586 1.959 -0.963 389 HD21 ASN 48 HD21 ASN 48 10.116 3.738 0.304 390 HD22 ASN 48 HD22 ASN 48 10.683 3.663 1.903 391 H LYS 49 HN LYS 49 6.453 -0.360 1.613 392 HA LYS 49 HA LYS 49 8.267 -2.510 2.648 393 HB2 LYS 49 HB2 LYS 49 7.538 -0.641 4.264 394 HB3 LYS 49 HB1 LYS 49 5.932 -1.362 4.171 395 HG2 LYS 49 HG2 LYS 49 6.779 -3.491 4.978 396 HG3 LYS 49 HG1 LYS 49 8.437 -2.906 4.910 397 HD2 LYS 49 HD2 LYS 49 7.818 -2.715 7.191 398 HD3 LYS 49 HD1 LYS 49 7.710 -1.080 6.545 399 HE2 LYS 49 HE2 LYS 49 5.328 -1.191 6.406 400 HE3 LYS 49 HE1 LYS 49 5.319 -2.933 6.678 401 HZ1 LYS 49 HZ1 LYS 49 5.111 -2.492 8.822 402 HZ2 LYS 49 HZ2 LYS 49 5.328 -0.826 8.570 403 HZ3 LYS 49 HZ3 LYS 49 6.674 -1.836 8.811 404 H ILE 50 HN ILE 50 7.399 -4.580 2.829 405 HA ILE 50 HA ILE 50 5.037 -5.085 1.149 406 HB ILE 50 HB ILE 50 6.971 -6.941 2.552 407 HG12 ILE 50 HG12 ILE 50 6.596 -6.361 -0.400 408 HG13 ILE 50 HG11 ILE 50 7.791 -5.538 0.604 409 HG21 ILE 50 HG21 ILE 50 4.918 -8.141 2.361 410 HG22 ILE 50 HG22 ILE 50 5.880 -8.640 0.972 411 HG23 ILE 50 HG23 ILE 50 4.583 -7.462 0.768 412 HD11 ILE 50 HD11 ILE 50 8.904 -7.626 1.106 413 HD12 ILE 50 HD12 ILE 50 8.705 -7.525 -0.643 414 HD13 ILE 50 HD13 ILE 50 7.630 -8.550 0.309 415 H LEU 51 HN LEU 51 3.088 -4.928 2.094 416 HA LEU 51 HA LEU 51 2.790 -5.631 4.968 417 HB2 LEU 51 HB2 LEU 51 1.180 -4.029 2.991 418 HB3 LEU 51 HB1 LEU 51 0.406 -4.646 4.448 419 HG LEU 51 HG LEU 51 1.339 -2.310 4.682 420 HD11 LEU 51 HD11 LEU 51 2.966 -3.968 6.566 421 HD12 LEU 51 HD12 LEU 51 1.222 -4.228 6.567 422 HD13 LEU 51 HD13 LEU 51 1.872 -2.629 6.897 423 HD21 LEU 51 HD21 LEU 51 3.676 -1.911 4.626 424 HD22 LEU 51 HD22 LEU 51 3.380 -2.932 3.221 425 HD23 LEU 51 HD23 LEU 51 4.056 -3.630 4.693 426 H GLN 52 HN GLN 52 1.467 -7.291 5.644 427 HA GLN 52 HA GLN 52 0.948 -9.400 3.724 428 HB2 GLN 52 HB2 GLN 52 0.244 -9.059 6.654 429 HB3 GLN 52 HB1 GLN 52 -0.090 -10.529 5.737 430 HG2 GLN 52 HG2 GLN 52 2.290 -10.793 5.229 431 HG3 GLN 52 HG1 GLN 52 2.656 -9.276 6.049 432 HE21 GLN 52 HE21 GLN 52 2.636 -12.603 6.522 433 HE22 GLN 52 HE22 GLN 52 2.530 -12.628 8.216 434 H THR 53 HN THR 53 -0.775 -9.371 2.384 435 HA THR 53 HA THR 53 -3.122 -7.698 3.034 436 HB THR 53 HB THR 53 -3.798 -8.239 0.707 437 HG1 THR 53 HG1 THR 53 -2.968 -9.951 -0.135 438 HG21 THR 53 HG21 THR 53 -0.878 -7.459 0.836 439 HG22 THR 53 HG22 THR 53 -2.181 -6.372 1.306 440 HG23 THR 53 HG23 THR 53 -2.073 -6.951 -0.357 441 H ASN 54 HN ASN 54 -4.786 -8.587 4.118 442 HA ASN 54 HA ASN 54 -5.288 -11.528 3.873 443 HB2 ASN 54 HB2 ASN 54 -5.943 -9.493 6.010 444 HB3 ASN 54 HB1 ASN 54 -6.728 -11.075 5.952 445 HD21 ASN 54 HD21 ASN 54 -5.265 -10.781 8.197 446 HD22 ASN 54 HD22 ASN 54 -3.766 -11.573 8.098 447 H THR 55 HN THR 55 -6.642 -11.706 2.134 448 HA THR 55 HA THR 55 -8.928 -9.817 1.885 449 HB THR 55 HB THR 55 -7.882 -11.947 -0.003 450 HG1 THR 55 HG1 THR 55 -7.243 -9.352 0.511 451 HG21 THR 55 HG21 THR 55 -10.116 -9.921 -0.194 452 HG22 THR 55 HG22 THR 55 -10.198 -11.662 -0.470 453 HG23 THR 55 HG23 THR 55 -9.362 -10.625 -1.626 454 H TYR 56 HN TYR 56 -11.008 -10.472 2.256 455 HA TYR 56 HA TYR 56 -11.381 -13.255 3.267 456 HB2 TYR 56 HB2 TYR 56 -13.109 -10.769 3.426 457 HB3 TYR 56 HB1 TYR 56 -13.544 -12.336 4.113 458 HD1 TYR 56 HD1 TYR 56 -10.907 -9.696 4.166 459 HD2 TYR 56 HD2 TYR 56 -12.714 -12.998 6.234 460 HE1 TYR 56 HE1 TYR 56 -9.548 -9.181 6.174 461 HE2 TYR 56 HE2 TYR 56 -11.352 -12.485 8.241 462 HH TYR 56 HH TYR 56 -9.513 -11.324 8.965 463 H TYR 57 HN TYR 57 -12.365 -14.731 1.991 464 HA TYR 57 HA TYR 57 -13.940 -13.767 -0.377 465 HB2 TYR 57 HB2 TYR 57 -12.282 -16.267 0.042 466 HB3 TYR 57 HB1 TYR 57 -13.342 -16.013 -1.346 467 HD1 TYR 57 HD2 TYR 57 -12.981 -13.916 -2.773 468 HD2 TYR 57 HD1 TYR 57 -10.098 -15.342 0.075 469 HE1 TYR 57 HE2 TYR 57 -11.216 -12.583 -3.892 470 HE2 TYR 57 HE1 TYR 57 -8.333 -14.005 -1.045 471 HH TYR 57 HH TYR 57 -7.827 -12.815 -2.896 472 H SER 58 HN SER 58 -16.073 -14.082 -0.101 473 HA SER 58 HA SER 58 -16.998 -16.581 1.251 474 HB2 SER 58 HB2 SER 58 -17.056 -14.594 2.827 475 HB3 SER 58 HB1 SER 58 -18.226 -13.855 1.738 476 HG SER 58 HG SER 58 -18.443 -16.254 3.225 477 H ASP 59 HN ASP 59 -19.105 -17.262 0.573 478 HA ASP 59 HA ASP 59 -19.705 -16.863 -2.189 479 HB2 ASP 59 HB2 ASP 59 -21.336 -17.926 0.129 480 HB3 ASP 59 HB1 ASP 59 -21.926 -17.936 -1.531 481 H THR 60 HN THR 60 -21.182 -15.501 0.760 482 HA THR 60 HA THR 60 -23.201 -13.963 -0.567 483 HB THR 60 HB THR 60 -21.814 -13.478 2.085 484 HG1 THR 60 HG1 THR 60 -22.866 -15.262 2.461 485 HG21 THR 60 HG21 THR 60 -23.991 -12.270 2.584 486 HG22 THR 60 HG22 THR 60 -24.323 -12.328 0.853 487 HG23 THR 60 HG23 THR 60 -22.914 -11.452 1.453 488 H LEU 61 HN LEU 61 -19.917 -13.102 0.531 489 HA LEU 61 HA LEU 61 -20.012 -10.371 -0.325 490 HB2 LEU 61 HB2 LEU 61 -17.685 -12.277 0.029 491 HB3 LEU 61 HB1 LEU 61 -17.491 -10.561 -0.311 492 HG LEU 61 HG LEU 61 -19.008 -11.677 2.070 493 HD11 LEU 61 HD11 LEU 61 -17.009 -10.831 3.362 494 HD12 LEU 61 HD12 LEU 61 -16.179 -10.612 1.821 495 HD13 LEU 61 HD13 LEU 61 -16.671 -12.225 2.336 496 HD21 LEU 61 HD21 LEU 61 -18.464 -9.182 2.814 497 HD22 LEU 61 HD22 LEU 61 -19.863 -9.521 1.806 498 HD23 LEU 61 HD23 LEU 61 -18.382 -8.904 1.075 499 H HIS 62 HN HIS 62 -19.047 -13.355 -1.971 500 HA HIS 62 HA HIS 62 -17.974 -12.237 -4.337 501 HB2 HIS 62 HB2 HIS 62 -17.904 -14.649 -3.787 502 HB3 HIS 62 HB1 HIS 62 -19.647 -14.748 -4.033 503 HD1 HIS 62 HD1 HIS 62 -16.603 -13.583 -6.031 504 HD2 HIS 62 HD2 HIS 62 -20.284 -15.451 -6.617 505 HE1 HIS 62 HE1 HIS 62 -16.730 -14.159 -8.493 506 H LYS 63 HN LYS 63 -21.349 -12.982 -3.490 507 HA LYS 63 HA LYS 63 -22.495 -12.256 -6.009 508 HB2 LYS 63 HB2 LYS 63 -23.631 -12.236 -3.203 509 HB3 LYS 63 HB1 LYS 63 -24.598 -11.967 -4.653 510 HG2 LYS 63 HG2 LYS 63 -23.948 -14.176 -5.515 511 HG3 LYS 63 HG1 LYS 63 -22.939 -14.443 -4.092 512 HD2 LYS 63 HD2 LYS 63 -24.939 -14.253 -2.645 513 HD3 LYS 63 HD1 LYS 63 -25.944 -14.024 -4.077 514 HE2 LYS 63 HE2 LYS 63 -24.204 -16.460 -3.600 515 HE3 LYS 63 HE1 LYS 63 -25.929 -16.390 -3.234 516 HZ1 LYS 63 HZ1 LYS 63 -25.246 -15.494 -5.886 517 HZ2 LYS 63 HZ2 LYS 63 -26.472 -16.555 -5.378 518 HZ3 LYS 63 HZ3 LYS 63 -24.889 -17.127 -5.604 519 H SER 64 HN SER 64 -21.841 -10.379 -3.061 520 HA SER 64 HA SER 64 -22.993 -7.937 -4.155 521 HB2 SER 64 HB2 SER 64 -22.908 -8.365 -1.723 522 HB3 SER 64 HB1 SER 64 -21.148 -8.351 -1.781 523 HG SER 64 HG SER 64 -22.694 -6.310 -1.411 524 H ASN 65 HN ASN 65 -20.199 -9.604 -4.826 525 HA ASN 65 HA ASN 65 -18.223 -9.052 -5.930 526 HB2 ASN 65 HB2 ASN 65 -19.928 -6.666 -6.674 527 HB3 ASN 65 HB1 ASN 65 -18.317 -6.944 -7.330 528 HD21 ASN 65 HD21 ASN 65 -20.618 -6.962 -9.028 529 HD22 ASN 65 HD22 ASN 65 -20.850 -8.545 -9.596 530 H ILE 66 HN ILE 66 -18.411 -8.376 -3.133 531 HA ILE 66 HA ILE 66 -16.603 -5.981 -3.022 532 HB ILE 66 HB ILE 66 -18.545 -7.046 -0.950 533 HG12 ILE 66 HG12 ILE 66 -18.324 -4.331 -2.285 534 HG13 ILE 66 HG11 ILE 66 -19.414 -5.603 -2.826 535 HG21 ILE 66 HG21 ILE 66 -17.689 -4.990 0.349 536 HG22 ILE 66 HG22 ILE 66 -16.316 -5.009 -0.756 537 HG23 ILE 66 HG23 ILE 66 -16.621 -6.391 0.294 538 HD11 ILE 66 HD11 ILE 66 -20.359 -5.629 -0.461 539 HD12 ILE 66 HD12 ILE 66 -20.706 -4.180 -1.405 540 HD13 ILE 66 HD13 ILE 66 -19.440 -4.150 -0.177 541 H TYR 67 HN TYR 67 -14.577 -6.377 -2.334 542 HA TYR 67 HA TYR 67 -13.988 -9.032 -1.064 543 HB2 TYR 67 HB2 TYR 67 -12.101 -7.308 -2.679 544 HB3 TYR 67 HB1 TYR 67 -11.831 -8.959 -2.118 545 HD1 TYR 67 HD1 TYR 67 -13.625 -10.732 -2.862 546 HD2 TYR 67 HD2 TYR 67 -12.981 -6.967 -4.828 547 HE1 TYR 67 HE1 TYR 67 -14.705 -11.618 -4.912 548 HE2 TYR 67 HE2 TYR 67 -14.061 -7.853 -6.877 549 HH TYR 67 HH TYR 67 -15.440 -11.138 -6.956 550 HA PRO 68 HA PRO 68 -13.211 -5.904 2.273 551 HB2 PRO 68 HB2 PRO 68 -12.852 -8.468 3.773 552 HB3 PRO 68 HB1 PRO 68 -13.795 -7.032 4.209 553 HG2 PRO 68 HG2 PRO 68 -14.966 -9.278 3.343 554 HG3 PRO 68 HG1 PRO 68 -15.606 -7.673 2.937 555 HD2 PRO 68 HD2 PRO 68 -14.107 -9.594 1.199 556 HD3 PRO 68 HD1 PRO 68 -15.360 -8.409 0.758 557 H PHE 69 HN PHE 69 -11.185 -5.113 2.832 558 HA PHE 69 HA PHE 69 -8.845 -6.962 2.517 559 HB2 PHE 69 HB2 PHE 69 -9.486 -4.742 0.908 560 HB3 PHE 69 HB1 PHE 69 -8.225 -4.136 1.977 561 HD1 PHE 69 HD1 PHE 69 -9.089 -6.906 -0.351 562 HD2 PHE 69 HD2 PHE 69 -5.960 -4.760 1.655 563 HE1 PHE 69 HE1 PHE 69 -7.397 -8.141 -1.676 564 HE2 PHE 69 HE2 PHE 69 -4.267 -5.986 0.330 565 HZ PHE 69 HZ PHE 69 -4.983 -7.684 -1.333 566 H ILE 70 HN ILE 70 -7.544 -7.075 4.209 567 HA ILE 70 HA ILE 70 -7.404 -4.801 6.136 568 HB ILE 70 HB ILE 70 -7.710 -7.729 6.892 569 HG12 ILE 70 HG12 ILE 70 -9.574 -5.360 7.272 570 HG13 ILE 70 HG11 ILE 70 -9.813 -6.661 6.110 571 HG21 ILE 70 HG21 ILE 70 -6.226 -6.444 8.411 572 HG22 ILE 70 HG22 ILE 70 -7.742 -6.854 9.205 573 HG23 ILE 70 HG23 ILE 70 -7.482 -5.221 8.596 574 HD11 ILE 70 HD11 ILE 70 -10.102 -6.700 9.086 575 HD12 ILE 70 HD12 ILE 70 -9.549 -8.179 8.296 576 HD13 ILE 70 HD13 ILE 70 -11.098 -7.470 7.851 577 H LEU 71 HN LEU 71 -5.284 -4.380 6.689 578 HA LEU 71 HA LEU 71 -3.216 -6.264 5.617 579 HB2 LEU 71 HB2 LEU 71 -2.898 -3.379 6.470 580 HB3 LEU 71 HB1 LEU 71 -1.736 -4.358 5.574 581 HG LEU 71 HG LEU 71 -4.492 -3.538 4.616 582 HD11 LEU 71 HD11 LEU 71 -2.708 -1.761 4.645 583 HD12 LEU 71 HD12 LEU 71 -3.329 -2.136 3.037 584 HD13 LEU 71 HD13 LEU 71 -1.765 -2.770 3.548 585 HD21 LEU 71 HD21 LEU 71 -3.482 -4.519 2.410 586 HD22 LEU 71 HD22 LEU 71 -4.134 -5.632 3.604 587 HD23 LEU 71 HD23 LEU 71 -2.388 -5.386 3.487 588 H TYR 72 HN TYR 72 -1.662 -7.110 6.907 589 HA TYR 72 HA TYR 72 -1.730 -6.440 9.825 590 HB2 TYR 72 HB2 TYR 72 -1.517 -9.127 8.463 591 HB3 TYR 72 HB1 TYR 72 -1.107 -8.876 10.160 592 HD1 TYR 72 HD2 TYR 72 -3.850 -8.743 7.665 593 HD2 TYR 72 HD1 TYR 72 -2.802 -8.563 11.825 594 HE1 TYR 72 HE2 TYR 72 -6.244 -8.953 8.278 595 HE2 TYR 72 HE1 TYR 72 -5.194 -8.775 12.439 596 HH TYR 72 HH TYR 72 -7.272 -9.647 11.444 597 H TYR 73 HN TYR 73 0.266 -6.489 10.894 598 HA TYR 73 HA TYR 73 2.679 -7.344 9.543 599 HB2 TYR 73 HB2 TYR 73 2.252 -5.179 8.397 600 HB3 TYR 73 HB1 TYR 73 2.326 -4.362 9.956 601 HD1 TYR 73 HD2 TYR 73 4.267 -6.509 7.606 602 HD2 TYR 73 HD1 TYR 73 4.415 -3.835 10.965 603 HE1 TYR 73 HE2 TYR 73 6.742 -6.467 7.463 604 HE2 TYR 73 HE1 TYR 73 6.890 -3.795 10.822 605 HH TYR 73 HH TYR 73 8.668 -4.359 9.568 606 H GLN 74 HN GLN 74 2.780 -8.489 11.544 607 HA GLN 74 HA GLN 74 3.539 -8.839 13.722 608 HB2 GLN 74 HB2 GLN 74 5.503 -7.582 12.848 609 HB3 GLN 74 HB1 GLN 74 4.758 -6.082 13.396 610 HG2 GLN 74 HG2 GLN 74 4.806 -6.814 15.698 611 HG3 GLN 74 HG1 GLN 74 5.368 -8.418 15.219 612 HE21 GLN 74 HE21 GLN 74 6.896 -6.779 17.015 613 HE22 GLN 74 HE22 GLN 74 8.334 -6.330 16.231 614 H LYS 75 HN LYS 75 2.883 -5.309 13.730 615 HA LYS 75 HA LYS 75 1.557 -5.533 16.311 616 HB2 LYS 75 HB2 LYS 75 1.939 -3.253 14.366 617 HB3 LYS 75 HB1 LYS 75 1.102 -3.076 15.908 618 HG2 LYS 75 HG2 LYS 75 3.097 -3.825 17.115 619 HG3 LYS 75 HG1 LYS 75 3.932 -4.119 15.593 620 HD2 LYS 75 HD2 LYS 75 4.729 -2.000 16.275 621 HD3 LYS 75 HD1 LYS 75 3.496 -1.629 15.073 622 HE2 LYS 75 HE2 LYS 75 1.886 -1.079 16.778 623 HE3 LYS 75 HE1 LYS 75 2.926 -1.714 18.051 624 HZ1 LYS 75 HZ1 LYS 75 2.890 0.790 17.687 625 HZ2 LYS 75 HZ2 LYS 75 3.814 0.488 16.293 626 HZ3 LYS 75 HZ3 LYS 75 4.408 0.044 17.822 627 H GLN 76 HN GLN 76 -0.087 -7.115 15.485 628 HA GLN 76 HA GLN 76 -2.199 -7.666 14.607 629 HB2 GLN 76 HB2 GLN 76 -2.753 -4.913 15.758 630 HB3 GLN 76 HB1 GLN 76 -3.962 -6.156 15.438 631 HG2 GLN 76 HG2 GLN 76 -1.623 -6.458 17.339 632 HG3 GLN 76 HG1 GLN 76 -3.287 -6.128 17.820 633 HE21 GLN 76 HE21 GLN 76 -1.211 -8.630 17.782 634 HE22 GLN 76 HE22 GLN 76 -2.262 -9.914 17.423 635 H LEU 77 HN LEU 77 -4.209 -5.715 13.744 636 HA LEU 77 HA LEU 77 -3.489 -5.600 10.960 637 HB2 LEU 77 HB2 LEU 77 -5.694 -4.455 10.713 638 HB3 LEU 77 HB1 LEU 77 -5.774 -6.003 11.544 639 HG LEU 77 HG LEU 77 -5.387 -4.288 13.682 640 HD11 LEU 77 HD11 LEU 77 -7.361 -2.828 11.930 641 HD12 LEU 77 HD12 LEU 77 -5.656 -2.386 11.944 642 HD13 LEU 77 HD13 LEU 77 -6.601 -2.288 13.429 643 HD21 LEU 77 HD21 LEU 77 -7.068 -6.014 13.680 644 HD22 LEU 77 HD22 LEU 77 -7.970 -5.213 12.393 645 HD23 LEU 77 HD23 LEU 77 -7.889 -4.490 13.995 646 H ILE 78 HN ILE 78 -3.137 -3.752 9.674 647 HA ILE 78 HA ILE 78 -2.185 -1.348 11.185 648 HB ILE 78 HB ILE 78 -1.608 -2.232 8.345 649 HG12 ILE 78 HG12 ILE 78 -0.712 -3.872 9.907 650 HG13 ILE 78 HG11 ILE 78 0.611 -2.909 9.259 651 HG21 ILE 78 HG21 ILE 78 0.234 -0.605 8.497 652 HG22 ILE 78 HG22 ILE 78 -0.299 -0.153 10.117 653 HG23 ILE 78 HG23 ILE 78 -1.330 0.177 8.725 654 HD11 ILE 78 HD11 ILE 78 1.102 -2.936 11.546 655 HD12 ILE 78 HD12 ILE 78 -0.595 -2.854 12.013 656 HD13 ILE 78 HD13 ILE 78 0.220 -1.421 11.394 657 H ALA 79 HN ALA 79 -4.099 -2.349 8.328 658 HA ALA 79 HA ALA 79 -5.691 0.131 8.644 659 HB1 ALA 79 HB1 ALA 79 -3.956 0.815 7.070 660 HB2 ALA 79 HB2 ALA 79 -5.493 0.653 6.219 661 HB3 ALA 79 HB3 ALA 79 -4.264 -0.605 6.071 662 H ILE 80 HN ILE 80 -7.706 0.045 7.486 663 HA ILE 80 HA ILE 80 -8.525 -2.695 6.592 664 HB ILE 80 HB ILE 80 -9.986 -0.760 8.407 665 HG12 ILE 80 HG12 ILE 80 -9.223 -3.658 8.836 666 HG13 ILE 80 HG11 ILE 80 -8.195 -2.319 9.333 667 HG21 ILE 80 HG21 ILE 80 -11.738 -2.603 8.409 668 HG22 ILE 80 HG22 ILE 80 -10.930 -3.260 6.988 669 HG23 ILE 80 HG23 ILE 80 -11.647 -1.649 6.931 670 HD11 ILE 80 HD11 ILE 80 -9.618 -1.682 11.034 671 HD12 ILE 80 HD12 ILE 80 -9.982 -3.404 10.996 672 HD13 ILE 80 HD13 ILE 80 -11.063 -2.263 10.203 673 H GLY 81 HN GLY 81 -9.759 -2.724 4.730 674 HA2 GLY 81 HA2 GLY 81 -11.218 -0.399 3.806 675 HA3 GLY 81 HA1 GLY 81 -9.718 -0.628 2.906 676 H PHE 82 HN PHE 82 -12.725 -1.021 2.305 677 HA PHE 82 HA PHE 82 -12.627 -3.868 1.390 678 HB2 PHE 82 HB2 PHE 82 -15.153 -2.268 1.183 679 HB3 PHE 82 HB1 PHE 82 -14.926 -3.952 1.653 680 HD1 PHE 82 HD2 PHE 82 -13.158 -4.008 3.843 681 HD2 PHE 82 HD1 PHE 82 -16.089 -1.008 2.911 682 HE1 PHE 82 HE2 PHE 82 -13.246 -3.348 6.230 683 HE2 PHE 82 HE1 PHE 82 -16.173 -0.344 5.299 684 HZ PHE 82 HZ PHE 82 -14.751 -1.514 6.954 685 H ILE 83 HN ILE 83 -13.103 -4.343 -0.810 686 HA ILE 83 HA ILE 83 -12.672 -2.029 -2.656 687 HB ILE 83 HB ILE 83 -12.402 -5.010 -3.127 688 HG12 ILE 83 HG12 ILE 83 -10.292 -2.845 -2.882 689 HG13 ILE 83 HG11 ILE 83 -10.725 -3.947 -1.578 690 HG21 ILE 83 HG21 ILE 83 -11.264 -4.225 -5.226 691 HG22 ILE 83 HG22 ILE 83 -11.810 -2.590 -4.856 692 HG23 ILE 83 HG23 ILE 83 -12.988 -3.861 -5.185 693 HD11 ILE 83 HD11 ILE 83 -9.765 -4.853 -4.306 694 HD12 ILE 83 HD12 ILE 83 -10.024 -5.863 -2.882 695 HD13 ILE 83 HD13 ILE 83 -8.716 -4.680 -2.899 696 H ASP 84 HN ASP 84 -14.480 -1.219 -3.512 697 HA ASP 84 HA ASP 84 -16.963 -2.796 -3.622 698 HB2 ASP 84 HB2 ASP 84 -16.249 0.071 -4.279 699 HB3 ASP 84 HB1 ASP 84 -17.856 -0.595 -4.571 700 H GLU 85 HN GLU 85 -18.275 -2.187 -5.788 701 HA GLU 85 HA GLU 85 -17.055 -3.649 -7.935 702 HB2 GLU 85 HB2 GLU 85 -19.486 -1.843 -7.820 703 HB3 GLU 85 HB1 GLU 85 -19.053 -2.801 -9.236 704 HG2 GLU 85 HG2 GLU 85 -19.197 -4.857 -7.931 705 HG3 GLU 85 HG1 GLU 85 -19.532 -3.936 -6.465 706 H ASN 86 HN ASN 86 -17.310 -0.195 -7.224 707 HA ASN 86 HA ASN 86 -16.284 0.600 -9.845 708 HB2 ASN 86 HB2 ASN 86 -17.814 2.021 -8.428 709 HB3 ASN 86 HB1 ASN 86 -16.468 2.257 -7.313 710 HD21 ASN 86 HD21 ASN 86 -16.076 4.496 -7.740 711 HD22 ASN 86 HD22 ASN 86 -15.585 5.075 -9.257 712 H HIS 87 HN HIS 87 -14.773 -1.179 -7.786 713 HA HIS 87 HA HIS 87 -12.552 -1.514 -7.140 714 HB2 HIS 87 HB2 HIS 87 -12.146 -1.222 -9.559 715 HB3 HIS 87 HB1 HIS 87 -12.025 0.522 -9.331 716 HD1 HIS 87 HD1 HIS 87 -10.337 -2.650 -8.056 717 HD2 HIS 87 HD2 HIS 87 -9.475 1.375 -8.715 718 HE1 HIS 87 HE1 HIS 87 -7.871 -2.355 -7.559 719 H ASP 88 HN ASP 88 -14.207 1.141 -6.400 720 HA ASP 88 HA ASP 88 -12.074 2.893 -5.468 721 HB2 ASP 88 HB2 ASP 88 -14.283 3.775 -6.100 722 HB3 ASP 88 HB1 ASP 88 -15.031 2.846 -4.803 723 H MET 89 HN MET 89 -10.879 2.470 -3.694 724 HA MET 89 HA MET 89 -11.676 0.414 -1.786 725 HB2 MET 89 HB2 MET 89 -9.324 2.321 -1.912 726 HB3 MET 89 HB1 MET 89 -9.511 1.082 -0.668 727 HG2 MET 89 HG2 MET 89 -9.608 -0.657 -2.426 728 HG3 MET 89 HG1 MET 89 -9.396 0.584 -3.659 729 HE1 MET 89 HE1 MET 89 -7.486 -1.815 -3.707 730 HE2 MET 89 HE2 MET 89 -5.969 -0.962 -3.978 731 HE3 MET 89 HE3 MET 89 -7.445 -0.387 -4.749 732 H ASP 90 HN ASP 90 -13.003 0.814 -0.095 733 HA ASP 90 HA ASP 90 -13.349 3.614 0.854 734 HB2 ASP 90 HB2 ASP 90 -14.956 1.077 1.223 735 HB3 ASP 90 HB1 ASP 90 -15.282 2.546 2.147 736 H PHE 91 HN PHE 91 -12.057 4.191 2.497 737 HA PHE 91 HA PHE 91 -10.903 2.169 4.290 738 HB2 PHE 91 HB2 PHE 91 -10.661 5.193 4.276 739 HB3 PHE 91 HB1 PHE 91 -9.680 4.085 5.239 740 HD1 PHE 91 HD2 PHE 91 -8.180 2.439 4.100 741 HD2 PHE 91 HD1 PHE 91 -10.211 5.552 1.949 742 HE1 PHE 91 HE2 PHE 91 -6.647 2.110 2.181 743 HE2 PHE 91 HE1 PHE 91 -8.678 5.223 0.026 744 HZ PHE 91 HZ PHE 91 -6.896 3.501 0.143 745 H LEU 92 HN LEU 92 -11.776 1.631 6.213 746 HA LEU 92 HA LEU 92 -13.975 3.338 7.317 747 HB2 LEU 92 HB2 LEU 92 -14.509 0.954 6.699 748 HB3 LEU 92 HB1 LEU 92 -13.333 0.432 7.900 749 HG LEU 92 HG LEU 92 -14.618 1.720 9.634 750 HD11 LEU 92 HD11 LEU 92 -17.108 2.099 8.839 751 HD12 LEU 92 HD12 LEU 92 -16.375 2.231 7.243 752 HD13 LEU 92 HD13 LEU 92 -15.894 3.331 8.529 753 HD21 LEU 92 HD21 LEU 92 -14.902 -0.756 9.157 754 HD22 LEU 92 HD22 LEU 92 -16.322 -0.332 8.199 755 HD23 LEU 92 HD23 LEU 92 -16.287 0.016 9.926 756 H TYR 93 HN TYR 93 -10.931 1.723 8.025 757 HA TYR 93 HA TYR 93 -10.610 3.450 10.399 758 HB2 TYR 93 HB2 TYR 93 -11.652 1.460 11.355 759 HB3 TYR 93 HB1 TYR 93 -10.488 0.422 10.543 760 HD1 TYR 93 HD1 TYR 93 -10.950 2.956 13.196 761 HD2 TYR 93 HD2 TYR 93 -8.214 0.210 11.348 762 HE1 TYR 93 HE1 TYR 93 -9.374 3.257 15.086 763 HE2 TYR 93 HE2 TYR 93 -6.637 0.508 13.239 764 HH TYR 93 HH TYR 93 -7.518 2.428 16.078 765 H LEU 94 HN LEU 94 -8.631 4.305 10.152 766 HA LEU 94 HA LEU 94 -6.489 2.609 8.910 767 HB2 LEU 94 HB2 LEU 94 -7.155 4.401 7.385 768 HB3 LEU 94 HB1 LEU 94 -6.944 5.597 8.661 769 HG LEU 94 HG LEU 94 -4.546 5.116 8.771 770 HD11 LEU 94 HD11 LEU 94 -5.306 2.892 6.889 771 HD12 LEU 94 HD12 LEU 94 -4.252 2.845 8.302 772 HD13 LEU 94 HD13 LEU 94 -3.684 3.581 6.806 773 HD21 LEU 94 HD21 LEU 94 -5.332 6.769 7.116 774 HD22 LEU 94 HD22 LEU 94 -5.498 5.489 5.914 775 HD23 LEU 94 HD23 LEU 94 -3.902 5.920 6.530 776 H HIS 95 HN HIS 95 -4.743 2.303 10.161 777 HA HIS 95 HA HIS 95 -4.050 4.331 12.221 778 HB2 HIS 95 HB2 HIS 95 -5.444 2.544 13.309 779 HB3 HIS 95 HB1 HIS 95 -4.219 1.366 12.832 780 HD1 HIS 95 HD1 HIS 95 -1.927 1.464 14.030 781 HD2 HIS 95 HD2 HIS 95 -4.624 4.346 15.368 782 HE1 HIS 95 HE1 HIS 95 -0.924 2.463 16.129 783 H ASN 96 HN ASN 96 -1.922 4.743 12.116 784 HA ASN 96 HA ASN 96 -0.209 3.014 10.447 785 HB2 ASN 96 HB2 ASN 96 -0.258 5.546 10.275 786 HB3 ASN 96 HB1 ASN 96 0.544 5.589 11.846 787 HD21 ASN 96 HD21 ASN 96 2.577 6.401 11.023 788 HD22 ASN 96 HD22 ASN 96 3.584 5.468 10.025 789 H THR 97 HN THR 97 2.208 3.016 11.397 790 HA THR 97 HA THR 97 2.204 1.230 13.633 791 HB THR 97 HB THR 97 4.693 1.584 13.555 792 HG1 THR 97 HG1 THR 97 4.656 3.759 12.932 793 HG21 THR 97 HG21 THR 97 4.971 0.568 11.384 794 HG22 THR 97 HG22 THR 97 3.448 1.251 10.815 795 HG23 THR 97 HG23 THR 97 3.442 -0.011 12.046 796 H VAL 98 HN VAL 98 2.634 4.725 13.381 797 HA VAL 98 HA VAL 98 2.165 5.011 16.229 798 HB VAL 98 HB VAL 98 4.615 4.398 16.089 799 HG11 VAL 98 HG11 VAL 98 4.813 5.780 13.867 800 HG12 VAL 98 HG12 VAL 98 6.174 5.748 14.986 801 HG13 VAL 98 HG13 VAL 98 5.100 7.144 14.948 802 HG21 VAL 98 HG21 VAL 98 4.408 7.258 17.023 803 HG22 VAL 98 HG22 VAL 98 5.233 5.900 17.778 804 HG23 VAL 98 HG23 VAL 98 3.479 6.004 17.839 805 H MET 99 HN MET 99 0.929 5.918 13.813 806 HA MET 99 HA MET 99 0.759 8.753 14.430 807 HB2 MET 99 HB2 MET 99 2.749 8.795 12.980 808 HB3 MET 99 HB1 MET 99 1.874 7.907 11.733 809 HG2 MET 99 HG2 MET 99 0.473 9.726 11.236 810 HG3 MET 99 HG1 MET 99 0.775 10.509 12.787 811 HE1 MET 99 HE1 MET 99 2.131 12.568 12.893 812 HE2 MET 99 HE2 MET 99 3.843 12.490 12.484 813 HE3 MET 99 HE3 MET 99 3.138 11.262 13.532 814 HA PRO 100 HA PRO 100 -3.045 6.618 12.777 815 HB2 PRO 100 HB2 PRO 100 -4.332 8.348 14.830 816 HB3 PRO 100 HB1 PRO 100 -4.505 6.603 14.563 817 HG2 PRO 100 HG2 PRO 100 -3.145 7.608 16.657 818 HG3 PRO 100 HG1 PRO 100 -2.685 6.087 15.870 819 HD2 PRO 100 HD2 PRO 100 -1.405 8.791 15.633 820 HD3 PRO 100 HD1 PRO 100 -0.650 7.180 15.624 821 H LEU 101 HN LEU 101 -4.502 7.526 11.300 822 HA LEU 101 HA LEU 101 -4.401 10.509 10.939 823 HB2 LEU 101 HB2 LEU 101 -4.604 8.377 8.791 824 HB3 LEU 101 HB1 LEU 101 -4.511 10.117 8.529 825 HG LEU 101 HG LEU 101 -2.372 8.433 9.865 826 HD11 LEU 101 HD11 LEU 101 -2.751 8.102 7.364 827 HD12 LEU 101 HD12 LEU 101 -1.130 8.621 7.829 828 HD13 LEU 101 HD13 LEU 101 -2.271 9.787 7.159 829 HD21 LEU 101 HD21 LEU 101 -2.079 10.586 10.752 830 HD22 LEU 101 HD22 LEU 101 -2.673 11.381 9.296 831 HD23 LEU 101 HD23 LEU 101 -1.066 10.658 9.315 832 H LEU 102 HN LEU 102 -6.283 7.989 9.288 833 HA LEU 102 HA LEU 102 -8.742 9.519 9.873 834 HB2 LEU 102 HB2 LEU 102 -7.924 8.185 7.639 835 HB3 LEU 102 HB1 LEU 102 -8.887 6.922 8.392 836 HG LEU 102 HG LEU 102 -9.855 9.745 7.831 837 HD11 LEU 102 HD11 LEU 102 -9.503 8.414 5.773 838 HD12 LEU 102 HD12 LEU 102 -11.218 8.689 6.076 839 HD13 LEU 102 HD13 LEU 102 -10.499 7.123 6.446 840 HD21 LEU 102 HD21 LEU 102 -12.070 8.768 8.411 841 HD22 LEU 102 HD22 LEU 102 -10.948 8.723 9.771 842 HD23 LEU 102 HD23 LEU 102 -11.269 7.258 8.841 843 H ASP 103 HN ASP 103 -7.426 8.254 12.091 844 HA ASP 103 HA ASP 103 -8.930 5.808 12.696 845 HB2 ASP 103 HB2 ASP 103 -6.600 6.116 13.461 846 HB3 ASP 103 HB1 ASP 103 -7.106 7.503 14.425 847 H GLN 104 HN GLN 104 -11.118 6.373 12.846 848 HA GLN 104 HA GLN 104 -11.833 8.329 15.008 849 HB2 GLN 104 HB2 GLN 104 -13.227 7.747 12.380 850 HB3 GLN 104 HB1 GLN 104 -13.983 8.640 13.702 851 HG2 GLN 104 HG2 GLN 104 -12.171 10.295 13.651 852 HG3 GLN 104 HG1 GLN 104 -11.366 9.393 12.365 853 HE21 GLN 104 HE21 GLN 104 -11.811 11.816 11.464 854 HE22 GLN 104 HE22 GLN 104 -13.223 11.958 10.532 855 H ARG 105 HN ARG 105 -12.557 7.255 16.710 856 HA ARG 105 HA ARG 105 -13.441 4.519 16.681 857 HB2 ARG 105 HB2 ARG 105 -13.680 6.736 18.729 858 HB3 ARG 105 HB1 ARG 105 -14.173 5.073 19.043 859 HG2 ARG 105 HG2 ARG 105 -11.901 4.282 18.611 860 HG3 ARG 105 HG1 ARG 105 -11.390 5.911 18.170 861 HD2 ARG 105 HD2 ARG 105 -10.720 5.451 20.476 862 HD3 ARG 105 HD1 ARG 105 -11.982 6.683 20.469 863 HE ARG 105 HE ARG 105 -13.179 4.092 20.722 864 HH11 ARG 105 HH21 ARG 105 -11.252 6.398 22.422 865 HH12 ARG 105 HH22 ARG 105 -11.858 5.946 23.981 866 HH21 ARG 105 HH11 ARG 105 -13.973 3.495 22.741 867 HH22 ARG 105 HH12 ARG 105 -13.398 4.303 24.162 868 H TYR 106 HN TYR 106 -15.132 7.626 16.612 869 HA TYR 106 HA TYR 106 -17.761 6.687 17.133 870 HB2 TYR 106 HB2 TYR 106 -16.951 8.926 15.256 871 HB3 TYR 106 HB1 TYR 106 -18.515 8.736 16.049 872 HD1 TYR 106 HD1 TYR 106 -18.655 8.862 18.564 873 HD2 TYR 106 HD2 TYR 106 -15.092 9.889 16.396 874 HE1 TYR 106 HE1 TYR 106 -17.786 10.050 20.558 875 HE2 TYR 106 HE2 TYR 106 -14.222 11.079 18.388 876 HH TYR 106 HH TYR 106 -15.637 12.237 20.605 877 H LEU 107 HN LEU 107 -16.025 7.051 14.035 878 HA LEU 107 HA LEU 107 -18.179 6.111 12.408 879 HB2 LEU 107 HB2 LEU 107 -16.208 7.297 11.487 880 HB3 LEU 107 HB1 LEU 107 -15.187 5.929 11.922 881 HG LEU 107 HG LEU 107 -16.495 4.469 10.425 882 HD11 LEU 107 HD11 LEU 107 -18.148 6.957 10.141 883 HD12 LEU 107 HD12 LEU 107 -18.664 5.277 10.282 884 HD13 LEU 107 HD13 LEU 107 -18.014 5.871 8.758 885 HD21 LEU 107 HD21 LEU 107 -14.565 5.432 9.408 886 HD22 LEU 107 HD22 LEU 107 -15.339 7.011 9.259 887 HD23 LEU 107 HD23 LEU 107 -15.867 5.670 8.242 888 H LEU 108 HN LEU 108 -15.426 4.422 13.913 889 HA LEU 108 HA LEU 108 -16.175 1.858 12.810 890 HB2 LEU 108 HB2 LEU 108 -13.875 2.725 13.819 891 HB3 LEU 108 HB1 LEU 108 -14.532 2.092 15.322 892 HG LEU 108 HG LEU 108 -13.227 0.345 14.271 893 HD11 LEU 108 HD11 LEU 108 -14.840 -1.403 14.282 894 HD12 LEU 108 HD12 LEU 108 -16.117 -0.336 13.707 895 HD13 LEU 108 HD13 LEU 108 -15.491 -0.162 15.349 896 HD21 LEU 108 HD21 LEU 108 -14.959 0.075 11.859 897 HD22 LEU 108 HD22 LEU 108 -13.219 -0.136 12.028 898 HD23 LEU 108 HD23 LEU 108 -13.896 1.480 11.860 899 H THR 109 HN THR 109 -16.111 2.828 16.251 900 HA THR 109 HA THR 109 -18.034 0.743 16.903 901 HB THR 109 HB THR 109 -17.322 2.993 18.777 902 HG1 THR 109 HG1 THR 109 -15.644 0.839 18.006 903 HG21 THR 109 HG21 THR 109 -17.504 -0.002 19.191 904 HG22 THR 109 HG22 THR 109 -18.862 1.100 19.414 905 HG23 THR 109 HG23 THR 109 -17.432 1.244 20.437 906 H GLY 110 HN GLY 110 -18.753 2.996 15.042 907 HA2 GLY 110 HA2 GLY 110 -20.562 4.795 16.282 908 HA3 GLY 110 HA1 GLY 110 -20.598 4.342 14.583 909 H GLY 111 HN GLY 111 -22.829 4.798 16.435 910 HA2 GLY 111 HA2 GLY 111 -25.015 3.883 16.437 911 HA3 GLY 111 HA1 GLY 111 -24.361 2.370 15.819 912 H GLN 112 HN GLN 112 -24.878 4.291 18.732 913 HA GLN 112 HA GLN 112 -23.731 2.427 20.585 914 HB2 GLN 112 HB2 GLN 112 -25.843 4.572 20.899 915 HB3 GLN 112 HB1 GLN 112 -25.218 3.633 22.257 916 HG2 GLN 112 HG2 GLN 112 -22.928 4.381 21.731 917 HG3 GLN 112 HG1 GLN 112 -23.543 5.311 20.365 918 HE21 GLN 112 HE21 GLN 112 -23.350 7.474 21.017 919 HE22 GLN 112 HE22 GLN 112 -23.944 8.091 22.483 920 H LEU 113 HN LEU 113 -24.590 0.429 19.590 921 HA LEU 113 HA LEU 113 -27.380 -0.203 19.573 922 HB2 LEU 113 HB2 LEU 113 -25.747 -1.541 18.326 923 HB3 LEU 113 HB1 LEU 113 -24.945 -1.999 19.827 924 HG LEU 113 HG LEU 113 -26.938 -3.204 20.573 925 HD11 LEU 113 HD11 LEU 113 -28.137 -1.964 18.102 926 HD12 LEU 113 HD12 LEU 113 -28.794 -2.041 19.738 927 HD13 LEU 113 HD13 LEU 113 -28.779 -3.482 18.728 928 HD21 LEU 113 HD21 LEU 113 -26.191 -3.885 17.710 929 HD22 LEU 113 HD22 LEU 113 -26.967 -4.982 18.852 930 HD23 LEU 113 HD23 LEU 113 -25.326 -4.412 19.153 931 H GLU 114 HN GLU 114 -24.828 -0.663 21.991 932 HA GLU 114 HA GLU 114 -24.943 -1.407 24.214 933 HB2 GLU 114 HB2 GLU 114 -27.338 0.431 23.991 934 HB3 GLU 114 HB1 GLU 114 -26.725 -0.196 25.525 935 HG2 GLU 114 HG2 GLU 114 -24.536 0.806 25.096 936 HG3 GLU 114 HG1 GLU 114 -25.086 1.379 23.522 937 H HIS 115 HN HIS 115 -25.343 -3.634 23.847 938 HA HIS 115 HA HIS 115 -28.204 -4.509 23.940 939 HB2 HIS 115 HB2 HIS 115 -26.730 -5.331 22.070 940 HB3 HIS 115 HB1 HIS 115 -25.750 -6.158 23.282 941 HD1 HIS 115 HD1 HIS 115 -26.807 -8.188 24.504 942 HD2 HIS 115 HD2 HIS 115 -29.301 -6.478 21.637 943 HE1 HIS 115 HE1 HIS 115 -28.725 -9.806 24.168 944 H HIS 116 HN HIS 116 -28.802 -4.766 26.037 945 HA HIS 116 HA HIS 116 -27.529 -6.793 27.645 946 HB2 HIS 116 HB2 HIS 116 -25.899 -5.038 28.105 947 HB3 HIS 116 HB1 HIS 116 -27.188 -3.900 28.500 948 HD1 HIS 116 HD1 HIS 116 -25.816 -7.242 29.716 949 HD2 HIS 116 HD2 HIS 116 -27.974 -3.981 31.160 950 HE1 HIS 116 HE1 HIS 116 -26.113 -7.624 32.202 951 H HIS 117 HN HIS 117 -29.268 -7.717 28.541 952 HA HIS 117 HA HIS 117 -31.132 -6.273 30.201 953 HB2 HIS 117 HB2 HIS 117 -33.146 -7.064 28.683 954 HB3 HIS 117 HB1 HIS 117 -32.330 -5.546 28.318 955 HD1 HIS 117 HD1 HIS 117 -31.620 -9.204 27.430 956 HD2 HIS 117 HD2 HIS 117 -31.834 -5.454 25.622 957 HE1 HIS 117 HE1 HIS 117 -31.084 -9.558 24.978 958 H HIS 118 HN HIS 118 -30.421 -9.159 28.283 959 HA HIS 118 HA HIS 118 -32.052 -10.941 29.855 960 HB2 HIS 118 HB2 HIS 118 -30.827 -12.736 28.704 961 HB3 HIS 118 HB1 HIS 118 -31.345 -11.495 27.565 962 HD1 HIS 118 HD1 HIS 118 -29.458 -9.737 26.817 963 HD2 HIS 118 HD2 HIS 118 -28.064 -13.129 28.801 964 HE1 HIS 118 HE1 HIS 118 -26.971 -9.865 26.356 965 H HIS 119 HN HIS 119 -31.441 -12.351 31.527 966 HA HIS 119 HA HIS 119 -28.676 -12.186 32.579 967 HB2 HIS 119 HB2 HIS 119 -29.551 -11.701 34.877 968 HB3 HIS 119 HB1 HIS 119 -29.796 -10.366 33.751 969 HD1 HIS 119 HD1 HIS 119 -31.583 -12.419 36.124 970 HD2 HIS 119 HD2 HIS 119 -32.580 -10.486 32.568 971 HE1 HIS 119 HE1 HIS 119 -34.109 -12.236 36.093 972 H HIS 120 HN HIS 120 -28.053 -14.156 33.320 973 HA HIS 120 HA HIS 120 -29.953 -16.374 33.233 974 HB2 HIS 120 HB2 HIS 120 -27.981 -17.758 33.731 975 HB3 HIS 120 HB1 HIS 120 -27.625 -16.620 32.432 976 HD1 HIS 120 HD1 HIS 120 -25.962 -14.701 32.934 977 HD2 HIS 120 HD2 HIS 120 -26.645 -17.197 36.204 978 HE1 HIS 120 HE1 HIS 120 -24.194 -14.128 34.657 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -9.933 -2.941 22.515 2 H2 MET 1 HT2 MET 1 -8.895 -4.148 21.923 3 H3 MET 1 HT3 MET 1 -10.572 -4.415 21.974 4 HA MET 1 HA MET 1 -10.311 -2.123 20.500 5 HB2 MET 1 HB2 MET 1 -8.186 -4.172 19.813 6 HB3 MET 1 HB1 MET 1 -8.722 -2.911 18.705 7 HG2 MET 1 HG2 MET 1 -8.070 -1.187 20.347 8 HG3 MET 1 HG1 MET 1 -7.524 -2.449 21.453 9 HE1 MET 1 HE1 MET 1 -5.250 -1.640 21.759 10 HE2 MET 1 HE2 MET 1 -5.531 -0.210 20.769 11 HE3 MET 1 HE3 MET 1 -4.094 -1.192 20.498 12 H THR 2 HN THR 2 -10.055 -5.670 20.158 13 HA THR 2 HA THR 2 -11.251 -7.135 18.746 14 HB THR 2 HB THR 2 -13.726 -6.895 19.086 15 HG1 THR 2 HG1 THR 2 -13.305 -4.943 20.978 16 HG21 THR 2 HG21 THR 2 -12.515 -8.215 20.668 17 HG22 THR 2 HG22 THR 2 -13.548 -7.146 21.618 18 HG23 THR 2 HG23 THR 2 -11.831 -6.783 21.436 19 H LEU 3 HN LEU 3 -10.242 -4.795 17.412 20 HA LEU 3 HA LEU 3 -12.154 -3.584 15.673 21 HB2 LEU 3 HB2 LEU 3 -9.173 -4.005 15.570 22 HB3 LEU 3 HB1 LEU 3 -10.003 -3.319 14.177 23 HG LEU 3 HG LEU 3 -10.490 -2.164 16.928 24 HD11 LEU 3 HD11 LEU 3 -8.645 -0.607 16.627 25 HD12 LEU 3 HD12 LEU 3 -8.233 -1.338 15.078 26 HD13 LEU 3 HD13 LEU 3 -8.013 -2.251 16.572 27 HD21 LEU 3 HD21 LEU 3 -10.745 -0.077 15.509 28 HD22 LEU 3 HD22 LEU 3 -11.934 -1.333 15.173 29 HD23 LEU 3 HD23 LEU 3 -10.568 -1.097 14.084 30 H GLU 4 HN GLU 4 -10.194 -6.532 15.341 31 HA GLU 4 HA GLU 4 -10.843 -7.108 12.636 32 HB2 GLU 4 HB2 GLU 4 -9.107 -8.306 13.967 33 HB3 GLU 4 HB1 GLU 4 -10.390 -9.090 14.888 34 HG2 GLU 4 HG2 GLU 4 -11.261 -10.120 12.837 35 HG3 GLU 4 HG1 GLU 4 -10.019 -9.303 11.886 36 H LEU 5 HN LEU 5 -12.409 -8.368 15.606 37 HA LEU 5 HA LEU 5 -14.547 -9.672 14.213 38 HB2 LEU 5 HB2 LEU 5 -14.357 -8.611 17.046 39 HB3 LEU 5 HB1 LEU 5 -15.693 -9.598 16.460 40 HG LEU 5 HG LEU 5 -12.791 -10.460 16.316 41 HD11 LEU 5 HD11 LEU 5 -13.256 -10.275 18.640 42 HD12 LEU 5 HD12 LEU 5 -13.511 -11.977 18.256 43 HD13 LEU 5 HD13 LEU 5 -14.894 -10.899 18.443 44 HD21 LEU 5 HD21 LEU 5 -13.954 -11.813 14.792 45 HD22 LEU 5 HD22 LEU 5 -15.448 -11.768 15.727 46 HD23 LEU 5 HD23 LEU 5 -14.097 -12.761 16.269 47 H GLN 6 HN GLN 6 -14.261 -6.441 15.651 48 HA GLN 6 HA GLN 6 -16.964 -5.637 15.153 49 HB2 GLN 6 HB2 GLN 6 -15.337 -4.469 16.684 50 HB3 GLN 6 HB1 GLN 6 -14.505 -3.861 15.253 51 HG2 GLN 6 HG2 GLN 6 -16.047 -2.153 16.001 52 HG3 GLN 6 HG1 GLN 6 -16.686 -2.843 14.510 53 HE21 GLN 6 HE21 GLN 6 -18.941 -2.636 14.897 54 HE22 GLN 6 HE22 GLN 6 -19.737 -3.357 16.212 55 H LEU 7 HN LEU 7 -14.040 -5.579 13.177 56 HA LEU 7 HA LEU 7 -14.993 -3.893 11.085 57 HB2 LEU 7 HB2 LEU 7 -12.632 -4.558 11.292 58 HB3 LEU 7 HB1 LEU 7 -13.065 -6.233 10.962 59 HG LEU 7 HG LEU 7 -13.858 -5.607 8.717 60 HD11 LEU 7 HD11 LEU 7 -14.668 -3.419 8.831 61 HD12 LEU 7 HD12 LEU 7 -13.129 -3.173 8.012 62 HD13 LEU 7 HD13 LEU 7 -13.272 -2.836 9.735 63 HD21 LEU 7 HD21 LEU 7 -11.558 -4.687 7.879 64 HD22 LEU 7 HD22 LEU 7 -11.608 -6.261 8.669 65 HD23 LEU 7 HD23 LEU 7 -11.069 -4.842 9.567 66 H LYS 8 HN LYS 8 -15.154 -7.433 11.487 67 HA LYS 8 HA LYS 8 -16.454 -7.973 9.004 68 HB2 LYS 8 HB2 LYS 8 -16.551 -9.434 11.661 69 HB3 LYS 8 HB1 LYS 8 -17.232 -10.072 10.164 70 HG2 LYS 8 HG2 LYS 8 -15.022 -9.953 9.091 71 HG3 LYS 8 HG1 LYS 8 -14.333 -9.287 10.572 72 HD2 LYS 8 HD2 LYS 8 -14.892 -11.327 11.793 73 HD3 LYS 8 HD1 LYS 8 -15.685 -11.992 10.364 74 HE2 LYS 8 HE2 LYS 8 -13.413 -12.907 10.593 75 HE3 LYS 8 HE1 LYS 8 -13.535 -11.913 9.142 76 HZ1 LYS 8 HZ1 LYS 8 -11.696 -11.631 11.137 77 HZ2 LYS 8 HZ2 LYS 8 -12.812 -10.388 11.447 78 HZ3 LYS 8 HZ3 LYS 8 -12.046 -10.488 9.934 79 H HIS 9 HN HIS 9 -17.702 -7.168 12.215 80 HA HIS 9 HA HIS 9 -20.478 -7.473 11.553 81 HB2 HIS 9 HB2 HIS 9 -19.078 -5.837 13.683 82 HB3 HIS 9 HB1 HIS 9 -20.829 -6.033 13.590 83 HD1 HIS 9 HD1 HIS 9 -19.955 -7.188 16.076 84 HD2 HIS 9 HD2 HIS 9 -19.501 -9.357 12.546 85 HE1 HIS 9 HE1 HIS 9 -19.698 -9.614 16.754 86 H TYR 10 HN TYR 10 -18.226 -4.749 11.314 87 HA TYR 10 HA TYR 10 -20.121 -2.695 10.809 88 HB2 TYR 10 HB2 TYR 10 -17.761 -2.196 11.229 89 HB3 TYR 10 HB1 TYR 10 -17.300 -3.013 9.734 90 HD1 TYR 10 HD2 TYR 10 -19.441 -0.238 11.034 91 HD2 TYR 10 HD1 TYR 10 -17.229 -1.804 7.703 92 HE1 TYR 10 HE2 TYR 10 -19.844 1.862 9.779 93 HE2 TYR 10 HE1 TYR 10 -17.633 0.293 6.446 94 HH TYR 10 HH TYR 10 -18.244 2.968 7.489 95 H ILE 11 HN ILE 11 -18.406 -4.821 8.502 96 HA ILE 11 HA ILE 11 -19.624 -3.724 6.153 97 HB ILE 11 HB ILE 11 -18.339 -6.398 6.797 98 HG12 ILE 11 HG12 ILE 11 -16.776 -5.448 4.909 99 HG13 ILE 11 HG11 ILE 11 -17.549 -3.908 5.264 100 HG21 ILE 11 HG21 ILE 11 -18.418 -6.701 4.209 101 HG22 ILE 11 HG22 ILE 11 -19.767 -5.564 4.273 102 HG23 ILE 11 HG23 ILE 11 -19.861 -7.094 5.145 103 HD11 ILE 11 HD11 ILE 11 -16.876 -4.108 7.628 104 HD12 ILE 11 HD12 ILE 11 -15.471 -4.207 6.572 105 HD13 ILE 11 HD13 ILE 11 -16.139 -5.672 7.289 106 H THR 12 HN THR 12 -20.535 -6.502 8.199 107 HA THR 12 HA THR 12 -22.772 -7.359 6.681 108 HB THR 12 HB THR 12 -23.588 -8.296 8.868 109 HG1 THR 12 HG1 THR 12 -22.634 -6.446 10.037 110 HG21 THR 12 HG21 THR 12 -20.701 -8.634 8.045 111 HG22 THR 12 HG22 THR 12 -22.076 -9.655 7.622 112 HG23 THR 12 HG23 THR 12 -21.456 -9.647 9.273 113 H ASN 13 HN ASN 13 -22.614 -5.035 9.376 114 HA ASN 13 HA ASN 13 -25.403 -4.384 9.338 115 HB2 ASN 13 HB2 ASN 13 -22.973 -2.869 10.321 116 HB3 ASN 13 HB1 ASN 13 -24.624 -2.301 10.553 117 HD21 ASN 13 HD21 ASN 13 -25.813 -4.946 10.987 118 HD22 ASN 13 HD22 ASN 13 -25.257 -5.499 12.491 119 H LEU 14 HN LEU 14 -22.598 -3.016 7.656 120 HA LEU 14 HA LEU 14 -23.863 -0.698 6.606 121 HB2 LEU 14 HB2 LEU 14 -21.344 -1.602 6.525 122 HB3 LEU 14 HB1 LEU 14 -21.841 -2.198 4.949 123 HG LEU 14 HG LEU 14 -20.892 -0.003 4.637 124 HD11 LEU 14 HD11 LEU 14 -23.083 -0.656 3.456 125 HD12 LEU 14 HD12 LEU 14 -22.658 1.054 3.461 126 HD13 LEU 14 HD13 LEU 14 -23.879 0.450 4.577 127 HD21 LEU 14 HD21 LEU 14 -21.664 0.565 7.193 128 HD22 LEU 14 HD22 LEU 14 -22.924 1.420 6.306 129 HD23 LEU 14 HD23 LEU 14 -21.228 1.802 6.019 130 H PHE 15 HN PHE 15 -23.509 -3.950 5.181 131 HA PHE 15 HA PHE 15 -25.502 -3.225 3.076 132 HB2 PHE 15 HB2 PHE 15 -23.512 -5.495 3.337 133 HB3 PHE 15 HB1 PHE 15 -24.729 -5.414 2.060 134 HD1 PHE 15 HD2 PHE 15 -24.710 -3.521 0.434 135 HD2 PHE 15 HD1 PHE 15 -21.568 -4.096 3.305 136 HE1 PHE 15 HE2 PHE 15 -23.251 -1.985 -0.856 137 HE2 PHE 15 HE1 PHE 15 -20.109 -2.560 2.016 138 HZ PHE 15 HZ PHE 15 -20.951 -1.504 -0.064 139 H ASN 16 HN ASN 16 -25.603 -4.316 6.106 140 HA ASN 16 HA ASN 16 -27.079 -5.643 7.345 141 HB2 ASN 16 HB2 ASN 16 -28.720 -5.098 4.860 142 HB3 ASN 16 HB1 ASN 16 -29.366 -5.927 6.275 143 HD21 ASN 16 HD21 ASN 16 -30.337 -3.344 5.372 144 HD22 ASN 16 HD22 ASN 16 -29.967 -2.208 6.579 145 H LEU 17 HN LEU 17 -25.104 -7.024 5.745 146 HA LEU 17 HA LEU 17 -26.493 -9.366 4.619 147 HB2 LEU 17 HB2 LEU 17 -23.544 -8.758 4.980 148 HB3 LEU 17 HB1 LEU 17 -24.180 -10.147 4.111 149 HG LEU 17 HG LEU 17 -24.948 -7.313 3.395 150 HD11 LEU 17 HD11 LEU 17 -23.218 -7.359 1.670 151 HD12 LEU 17 HD12 LEU 17 -22.722 -8.974 2.175 152 HD13 LEU 17 HD13 LEU 17 -22.472 -7.598 3.251 153 HD21 LEU 17 HD21 LEU 17 -25.183 -10.016 2.060 154 HD22 LEU 17 HD22 LEU 17 -25.261 -8.527 1.122 155 HD23 LEU 17 HD23 LEU 17 -26.452 -8.836 2.380 156 HA PRO 18 HA PRO 18 -26.413 -11.668 8.399 157 HB2 PRO 18 HB2 PRO 18 -26.134 -14.248 7.456 158 HB3 PRO 18 HB1 PRO 18 -27.651 -13.331 7.383 159 HG2 PRO 18 HG2 PRO 18 -25.608 -13.775 5.249 160 HG3 PRO 18 HG1 PRO 18 -27.379 -13.798 5.138 161 HD2 PRO 18 HD2 PRO 18 -25.919 -11.653 4.335 162 HD3 PRO 18 HD1 PRO 18 -27.538 -11.472 5.043 163 H ARG 19 HN ARG 19 -24.922 -12.340 9.894 164 HA ARG 19 HA ARG 19 -22.088 -12.540 9.017 165 HB2 ARG 19 HB2 ARG 19 -21.595 -12.325 11.441 166 HB3 ARG 19 HB1 ARG 19 -22.589 -10.991 10.859 167 HG2 ARG 19 HG2 ARG 19 -24.615 -12.163 11.682 168 HG3 ARG 19 HG1 ARG 19 -23.597 -13.455 12.314 169 HD2 ARG 19 HD2 ARG 19 -22.424 -11.803 13.748 170 HD3 ARG 19 HD1 ARG 19 -23.504 -10.542 13.151 171 HE ARG 19 HE ARG 19 -24.195 -12.624 15.089 172 HH11 ARG 19 HH21 ARG 19 -25.265 -10.402 12.679 173 HH12 ARG 19 HH22 ARG 19 -26.875 -10.287 13.306 174 HH21 ARG 19 HH11 ARG 19 -26.294 -12.478 15.929 175 HH22 ARG 19 HH12 ARG 19 -27.458 -11.462 15.146 176 H ASP 20 HN ASP 20 -24.604 -14.585 9.369 177 HA ASP 20 HA ASP 20 -23.285 -16.730 10.866 178 HB2 ASP 20 HB2 ASP 20 -25.284 -18.056 10.159 179 HB3 ASP 20 HB1 ASP 20 -25.719 -16.547 10.961 180 H GLU 21 HN GLU 21 -22.767 -15.471 7.879 181 HA GLU 21 HA GLU 21 -22.470 -18.017 6.418 182 HB2 GLU 21 HB2 GLU 21 -21.890 -15.132 5.693 183 HB3 GLU 21 HB1 GLU 21 -21.572 -16.490 4.610 184 HG2 GLU 21 HG2 GLU 21 -23.925 -17.127 4.649 185 HG3 GLU 21 HG1 GLU 21 -24.276 -15.867 5.831 186 H LYS 22 HN LYS 22 -20.504 -19.001 5.985 187 HA LYS 22 HA LYS 22 -18.281 -18.296 7.747 188 HB2 LYS 22 HB2 LYS 22 -18.644 -20.455 5.652 189 HB3 LYS 22 HB1 LYS 22 -17.195 -20.291 6.648 190 HG2 LYS 22 HG2 LYS 22 -18.561 -20.508 8.686 191 HG3 LYS 22 HG1 LYS 22 -20.015 -20.659 7.700 192 HD2 LYS 22 HD2 LYS 22 -19.158 -22.711 6.686 193 HD3 LYS 22 HD1 LYS 22 -17.644 -22.544 7.576 194 HE2 LYS 22 HE2 LYS 22 -18.917 -24.086 8.853 195 HE3 LYS 22 HE1 LYS 22 -19.096 -22.553 9.705 196 HZ1 LYS 22 HZ1 LYS 22 -21.148 -22.277 8.202 197 HZ2 LYS 22 HZ2 LYS 22 -21.252 -23.312 9.546 198 HZ3 LYS 22 HZ3 LYS 22 -21.035 -23.956 7.988 199 H TRP 23 HN TRP 23 -16.351 -17.355 7.154 200 HA TRP 23 HA TRP 23 -16.195 -16.261 4.377 201 HB2 TRP 23 HB2 TRP 23 -15.137 -15.342 7.045 202 HB3 TRP 23 HB1 TRP 23 -14.361 -14.797 5.558 203 HD1 TRP 23 HD1 TRP 23 -16.479 -14.067 3.635 204 HE1 TRP 23 HE1 TRP 23 -18.317 -12.324 4.101 205 HE3 TRP 23 HE3 TRP 23 -16.402 -14.047 8.741 206 HZ2 TRP 23 HZ2 TRP 23 -19.587 -11.081 6.340 207 HZ3 TRP 23 HZ3 TRP 23 -17.935 -12.573 10.014 208 HH2 TRP 23 HH2 TRP 23 -19.526 -11.089 8.819 209 H GLU 24 HN GLU 24 -14.179 -16.307 3.273 210 HA GLU 24 HA GLU 24 -12.426 -18.604 4.070 211 HB2 GLU 24 HB2 GLU 24 -12.998 -17.352 1.363 212 HB3 GLU 24 HB1 GLU 24 -11.821 -18.637 1.635 213 HG2 GLU 24 HG2 GLU 24 -14.768 -18.840 2.326 214 HG3 GLU 24 HG1 GLU 24 -14.044 -19.495 0.856 215 H CYS 25 HN CYS 25 -10.541 -17.951 4.917 216 HA CYS 25 HA CYS 25 -9.579 -15.211 4.546 217 HB2 CYS 25 HB2 CYS 25 -7.922 -15.772 6.189 218 HB3 CYS 25 HB1 CYS 25 -9.426 -16.535 6.710 219 HG CYS 25 HG CYS 25 -6.966 -18.057 6.282 220 H GLU 26 HN GLU 26 -7.732 -14.596 3.443 221 HA GLU 26 HA GLU 26 -6.260 -16.678 1.870 222 HB2 GLU 26 HB2 GLU 26 -7.941 -15.573 0.409 223 HB3 GLU 26 HB1 GLU 26 -7.254 -14.004 0.828 224 HG2 GLU 26 HG2 GLU 26 -5.108 -14.646 -0.158 225 HG3 GLU 26 HG1 GLU 26 -5.734 -16.257 -0.519 226 H SER 27 HN SER 27 -4.303 -16.540 2.925 227 HA SER 27 HA SER 27 -3.254 -13.889 3.729 228 HB2 SER 27 HB2 SER 27 -2.943 -15.620 5.361 229 HB3 SER 27 HB1 SER 27 -2.287 -16.726 4.156 230 HG SER 27 HG SER 27 -1.045 -14.811 5.607 231 H ILE 28 HN ILE 28 -2.352 -12.776 2.057 232 HA ILE 28 HA ILE 28 -0.246 -14.163 0.447 233 HB ILE 28 HB ILE 28 -0.994 -12.742 -1.511 234 HG12 ILE 28 HG12 ILE 28 -3.528 -12.454 0.128 235 HG13 ILE 28 HG11 ILE 28 -2.338 -11.166 -0.055 236 HG21 ILE 28 HG21 ILE 28 -2.793 -14.870 -0.335 237 HG22 ILE 28 HG22 ILE 28 -1.534 -15.071 -1.551 238 HG23 ILE 28 HG23 ILE 28 -3.026 -14.227 -1.961 239 HD11 ILE 28 HD11 ILE 28 -4.137 -10.890 -1.702 240 HD12 ILE 28 HD12 ILE 28 -3.852 -12.522 -2.307 241 HD13 ILE 28 HD13 ILE 28 -2.622 -11.276 -2.518 242 H GLU 29 HN GLU 29 1.433 -12.733 -0.293 243 HA GLU 29 HA GLU 29 1.811 -10.407 1.513 244 HB2 GLU 29 HB2 GLU 29 3.676 -11.899 -0.353 245 HB3 GLU 29 HB1 GLU 29 4.156 -10.484 0.585 246 HG2 GLU 29 HG2 GLU 29 3.595 -11.639 2.669 247 HG3 GLU 29 HG1 GLU 29 3.025 -13.039 1.761 248 H GLU 30 HN GLU 30 1.564 -8.340 0.776 249 HA GLU 30 HA GLU 30 1.896 -7.804 -2.134 250 HB2 GLU 30 HB2 GLU 30 -0.539 -8.254 -1.701 251 HB3 GLU 30 HB1 GLU 30 -0.547 -6.899 -0.575 252 HG2 GLU 30 HG2 GLU 30 -1.338 -6.075 -2.700 253 HG3 GLU 30 HG1 GLU 30 0.287 -5.434 -2.464 254 H VAL 31 HN VAL 31 2.610 -5.741 -2.567 255 HA VAL 31 HA VAL 31 3.843 -4.304 -0.362 256 HB VAL 31 HB VAL 31 3.598 -3.449 -3.256 257 HG11 VAL 31 HG11 VAL 31 5.748 -2.873 -1.199 258 HG12 VAL 31 HG12 VAL 31 4.404 -1.782 -1.531 259 HG13 VAL 31 HG13 VAL 31 5.576 -2.146 -2.796 260 HG21 VAL 31 HG21 VAL 31 4.514 -5.693 -3.217 261 HG22 VAL 31 HG22 VAL 31 5.591 -5.275 -1.884 262 HG23 VAL 31 HG23 VAL 31 5.847 -4.568 -3.478 263 H ALA 32 HN ALA 32 3.161 -2.422 0.578 264 HA ALA 32 HA ALA 32 0.469 -1.682 0.670 265 HB1 ALA 32 HB1 ALA 32 1.292 0.525 1.539 266 HB2 ALA 32 HB2 ALA 32 2.926 0.055 1.067 267 HB3 ALA 32 HB3 ALA 32 2.071 -0.856 2.311 268 H ASP 33 HN ASP 33 2.838 -0.933 -1.756 269 HA ASP 33 HA ASP 33 1.692 1.399 -2.903 270 HB2 ASP 33 HB2 ASP 33 3.916 0.527 -3.529 271 HB3 ASP 33 HB1 ASP 33 3.153 -0.875 -4.280 272 H ASP 34 HN ASP 34 1.178 -2.031 -3.764 273 HA ASP 34 HA ASP 34 -0.885 -1.431 -5.699 274 HB2 ASP 34 HB2 ASP 34 0.551 -3.546 -5.562 275 HB3 ASP 34 HB1 ASP 34 -0.521 -4.063 -4.260 276 H ILE 35 HN ILE 35 -0.899 -2.247 -2.262 277 HA ILE 35 HA ILE 35 -3.748 -2.663 -2.094 278 HB ILE 35 HB ILE 35 -1.899 -1.821 0.152 279 HG12 ILE 35 HG12 ILE 35 -2.430 -4.624 -0.894 280 HG13 ILE 35 HG11 ILE 35 -0.926 -3.733 -1.126 281 HG21 ILE 35 HG21 ILE 35 -4.476 -1.974 0.397 282 HG22 ILE 35 HG22 ILE 35 -3.486 -2.828 1.575 283 HG23 ILE 35 HG23 ILE 35 -4.246 -3.716 0.256 284 HD11 ILE 35 HD11 ILE 35 -0.438 -5.008 0.774 285 HD12 ILE 35 HD12 ILE 35 -2.075 -4.868 1.408 286 HD13 ILE 35 HD13 ILE 35 -0.976 -3.493 1.495 287 H LEU 36 HN LEU 36 -1.982 -0.120 -0.341 288 HA LEU 36 HA LEU 36 -4.280 1.619 -0.357 289 HB2 LEU 36 HB2 LEU 36 -1.437 2.454 0.245 290 HB3 LEU 36 HB1 LEU 36 -2.923 3.112 0.923 291 HG LEU 36 HG LEU 36 -1.816 0.330 1.403 292 HD11 LEU 36 HD11 LEU 36 -2.121 2.774 3.171 293 HD12 LEU 36 HD12 LEU 36 -0.609 2.030 2.651 294 HD13 LEU 36 HD13 LEU 36 -1.678 1.172 3.761 295 HD21 LEU 36 HD21 LEU 36 -4.405 1.676 2.202 296 HD22 LEU 36 HD22 LEU 36 -3.743 0.322 3.118 297 HD23 LEU 36 HD23 LEU 36 -4.185 0.109 1.426 298 HA PRO 37 HA PRO 37 -3.624 3.656 -4.256 299 HB2 PRO 37 HB2 PRO 37 -4.605 6.177 -3.708 300 HB3 PRO 37 HB1 PRO 37 -5.641 4.760 -3.971 301 HG2 PRO 37 HG2 PRO 37 -4.750 5.993 -1.401 302 HG3 PRO 37 HG1 PRO 37 -6.353 5.392 -1.861 303 HD2 PRO 37 HD2 PRO 37 -4.692 3.929 -0.310 304 HD3 PRO 37 HD1 PRO 37 -5.767 3.158 -1.495 305 H ASP 38 HN ASP 38 -2.163 5.095 -5.290 306 HA ASP 38 HA ASP 38 0.309 5.573 -4.075 307 HB2 ASP 38 HB2 ASP 38 -1.040 7.001 -6.376 308 HB3 ASP 38 HB1 ASP 38 0.638 7.294 -5.913 309 H GLN 39 HN GLN 39 -2.613 7.173 -3.477 310 HA GLN 39 HA GLN 39 -1.442 9.750 -2.715 311 HB2 GLN 39 HB2 GLN 39 -4.191 8.540 -2.333 312 HB3 GLN 39 HB1 GLN 39 -3.757 10.164 -1.795 313 HG2 GLN 39 HG2 GLN 39 -3.149 10.774 -4.102 314 HG3 GLN 39 HG1 GLN 39 -3.562 9.148 -4.645 315 HE21 GLN 39 HE21 GLN 39 -5.495 9.399 -5.801 316 HE22 GLN 39 HE22 GLN 39 -6.866 10.214 -5.218 317 H TYR 40 HN TYR 40 -2.399 6.757 -1.112 318 HA TYR 40 HA TYR 40 -1.623 7.914 1.539 319 HB2 TYR 40 HB2 TYR 40 -3.347 5.592 0.685 320 HB3 TYR 40 HB1 TYR 40 -2.665 5.633 2.311 321 HD1 TYR 40 HD1 TYR 40 -4.459 7.897 -0.097 322 HD2 TYR 40 HD2 TYR 40 -3.901 6.698 3.990 323 HE1 TYR 40 HE1 TYR 40 -6.245 9.466 0.607 324 HE2 TYR 40 HE2 TYR 40 -5.685 8.269 4.693 325 HH TYR 40 HH TYR 40 -6.667 10.698 3.252 326 H VAL 41 HN VAL 41 -0.031 6.540 -0.884 327 HA VAL 41 HA VAL 41 1.436 4.498 0.717 328 HB VAL 41 HB VAL 41 1.613 5.324 -2.193 329 HG11 VAL 41 HG11 VAL 41 3.049 3.204 -2.322 330 HG12 VAL 41 HG12 VAL 41 3.183 3.325 -0.570 331 HG13 VAL 41 HG13 VAL 41 3.804 4.620 -1.591 332 HG21 VAL 41 HG21 VAL 41 -0.384 3.927 -1.235 333 HG22 VAL 41 HG22 VAL 41 0.796 2.624 -1.119 334 HG23 VAL 41 HG23 VAL 41 0.432 3.348 -2.686 335 H ARG 42 HN ARG 42 2.313 7.216 -1.442 336 HA ARG 42 HA ARG 42 4.965 7.471 -0.386 337 HB2 ARG 42 HB2 ARG 42 3.185 9.402 -1.898 338 HB3 ARG 42 HB1 ARG 42 4.860 9.761 -1.479 339 HG2 ARG 42 HG2 ARG 42 5.614 7.773 -2.709 340 HG3 ARG 42 HG1 ARG 42 3.942 7.371 -3.103 341 HD2 ARG 42 HD2 ARG 42 3.709 9.496 -4.328 342 HD3 ARG 42 HD1 ARG 42 5.372 9.915 -3.924 343 HE ARG 42 HE ARG 42 6.139 8.316 -5.517 344 HH11 ARG 42 HH21 ARG 42 2.722 8.188 -5.009 345 HH12 ARG 42 HH22 ARG 42 2.425 7.191 -6.391 346 HH21 ARG 42 HH11 ARG 42 5.757 7.011 -7.319 347 HH22 ARG 42 HH12 ARG 42 4.138 6.524 -7.696 348 H LEU 43 HN LEU 43 1.909 9.134 0.368 349 HA LEU 43 HA LEU 43 3.016 10.985 2.252 350 HB2 LEU 43 HB2 LEU 43 0.748 11.195 1.272 351 HB3 LEU 43 HB1 LEU 43 0.227 9.783 2.183 352 HG LEU 43 HG LEU 43 1.450 12.183 3.567 353 HD11 LEU 43 HD11 LEU 43 -0.802 13.075 3.927 354 HD12 LEU 43 HD12 LEU 43 -1.496 11.761 2.978 355 HD13 LEU 43 HD13 LEU 43 -0.466 12.963 2.199 356 HD21 LEU 43 HD21 LEU 43 -0.460 11.113 5.256 357 HD22 LEU 43 HD22 LEU 43 1.242 10.687 5.288 358 HD23 LEU 43 HD23 LEU 43 0.102 9.667 4.422 359 H GLY 44 HN GLY 44 1.610 7.733 2.673 360 HA2 GLY 44 HA2 GLY 44 2.072 7.763 5.540 361 HA3 GLY 44 HA1 GLY 44 1.558 6.365 4.600 362 HA PRO 45 HA PRO 45 6.301 6.418 5.563 363 HB2 PRO 45 HB2 PRO 45 6.354 4.876 7.847 364 HB3 PRO 45 HB1 PRO 45 6.278 6.649 7.872 365 HG2 PRO 45 HG2 PRO 45 4.066 4.662 8.191 366 HG3 PRO 45 HG1 PRO 45 4.377 6.155 9.098 367 HD2 PRO 45 HD2 PRO 45 2.521 6.046 7.120 368 HD3 PRO 45 HD1 PRO 45 3.472 7.516 7.434 369 H LEU 46 HN LEU 46 3.701 4.236 5.307 370 HA LEU 46 HA LEU 46 5.050 1.721 5.233 371 HB2 LEU 46 HB2 LEU 46 2.573 2.658 3.745 372 HB3 LEU 46 HB1 LEU 46 3.063 0.975 3.939 373 HG LEU 46 HG LEU 46 2.461 2.876 6.224 374 HD11 LEU 46 HD11 LEU 46 0.821 0.679 4.934 375 HD12 LEU 46 HD12 LEU 46 0.416 2.393 5.039 376 HD13 LEU 46 HD13 LEU 46 0.432 1.401 6.497 377 HD21 LEU 46 HD21 LEU 46 3.866 1.289 7.189 378 HD22 LEU 46 HD22 LEU 46 3.404 0.024 6.053 379 HD23 LEU 46 HD23 LEU 46 2.317 0.470 7.367 380 H SER 47 HN SER 47 4.389 4.152 2.714 381 HA SER 47 HA SER 47 5.106 4.245 0.468 382 HB2 SER 47 HB2 SER 47 7.576 3.410 1.998 383 HB3 SER 47 HB1 SER 47 7.616 3.885 0.302 384 HG SER 47 HG SER 47 7.259 5.398 2.580 385 H ASN 48 HN ASN 48 7.606 2.096 0.301 386 HA ASN 48 HA ASN 48 5.926 0.102 -1.135 387 HB2 ASN 48 HB2 ASN 48 8.925 0.550 -1.066 388 HB3 ASN 48 HB1 ASN 48 8.112 -0.675 -2.039 389 HD21 ASN 48 HD21 ASN 48 5.795 1.361 -2.416 390 HD22 ASN 48 HD22 ASN 48 6.370 2.395 -3.630 391 H LYS 49 HN LYS 49 6.003 0.149 1.803 392 HA LYS 49 HA LYS 49 7.783 -1.950 2.678 393 HB2 LYS 49 HB2 LYS 49 6.914 -0.233 4.236 394 HB3 LYS 49 HB1 LYS 49 5.283 -0.850 3.999 395 HG2 LYS 49 HG2 LYS 49 6.180 -1.758 6.075 396 HG3 LYS 49 HG1 LYS 49 6.035 -3.065 4.905 397 HD2 LYS 49 HD2 LYS 49 8.377 -3.108 4.497 398 HD3 LYS 49 HD1 LYS 49 8.617 -1.528 5.243 399 HE2 LYS 49 HE2 LYS 49 8.003 -2.493 7.433 400 HE3 LYS 49 HE1 LYS 49 7.769 -4.063 6.666 401 HZ1 LYS 49 HZ1 LYS 49 10.285 -3.027 5.940 402 HZ2 LYS 49 HZ2 LYS 49 9.929 -4.450 6.796 403 HZ3 LYS 49 HZ3 LYS 49 10.141 -2.985 7.630 404 H ILE 50 HN ILE 50 7.355 -4.132 2.941 405 HA ILE 50 HA ILE 50 5.088 -5.213 1.411 406 HB ILE 50 HB ILE 50 7.399 -6.504 2.893 407 HG12 ILE 50 HG12 ILE 50 8.111 -7.094 0.574 408 HG13 ILE 50 HG11 ILE 50 6.749 -6.170 -0.055 409 HG21 ILE 50 HG21 ILE 50 5.646 -8.104 3.002 410 HG22 ILE 50 HG22 ILE 50 6.603 -8.572 1.597 411 HG23 ILE 50 HG23 ILE 50 5.079 -7.712 1.380 412 HD11 ILE 50 HD11 ILE 50 7.686 -4.128 0.524 413 HD12 ILE 50 HD12 ILE 50 9.144 -5.054 0.178 414 HD13 ILE 50 HD13 ILE 50 8.632 -4.810 1.847 415 H LEU 51 HN LEU 51 3.166 -5.579 2.384 416 HA LEU 51 HA LEU 51 3.119 -6.153 5.334 417 HB2 LEU 51 HB2 LEU 51 1.013 -4.748 3.664 418 HB3 LEU 51 HB1 LEU 51 0.961 -5.015 5.407 419 HG LEU 51 HG LEU 51 3.065 -3.392 3.945 420 HD11 LEU 51 HD11 LEU 51 0.780 -2.366 4.032 421 HD12 LEU 51 HD12 LEU 51 1.993 -1.449 4.921 422 HD13 LEU 51 HD13 LEU 51 0.847 -2.466 5.792 423 HD21 LEU 51 HD21 LEU 51 2.687 -4.219 6.821 424 HD22 LEU 51 HD22 LEU 51 3.447 -2.669 6.460 425 HD23 LEU 51 HD23 LEU 51 4.167 -4.162 5.864 426 H GLN 52 HN GLN 52 1.938 -7.893 6.003 427 HA GLN 52 HA GLN 52 1.195 -9.878 4.031 428 HB2 GLN 52 HB2 GLN 52 1.993 -10.410 6.353 429 HB3 GLN 52 HB1 GLN 52 0.483 -9.751 6.980 430 HG2 GLN 52 HG2 GLN 52 0.257 -12.161 6.812 431 HG3 GLN 52 HG1 GLN 52 -0.761 -11.418 5.578 432 HE21 GLN 52 HE21 GLN 52 -0.648 -13.082 3.988 433 HE22 GLN 52 HE22 GLN 52 0.798 -13.557 3.240 434 H THR 53 HN THR 53 -0.637 -9.673 2.821 435 HA THR 53 HA THR 53 -2.917 -8.093 3.910 436 HB THR 53 HB THR 53 -2.354 -9.140 1.119 437 HG1 THR 53 HG1 THR 53 -1.484 -7.032 2.463 438 HG21 THR 53 HG21 THR 53 -4.611 -7.478 2.259 439 HG22 THR 53 HG22 THR 53 -4.730 -8.998 1.371 440 HG23 THR 53 HG23 THR 53 -4.234 -7.526 0.537 441 H ASN 54 HN ASN 54 -4.452 -9.228 4.926 442 HA ASN 54 HA ASN 54 -4.996 -12.052 4.081 443 HB2 ASN 54 HB2 ASN 54 -5.366 -10.584 6.699 444 HB3 ASN 54 HB1 ASN 54 -6.166 -12.120 6.366 445 HD21 ASN 54 HD21 ASN 54 -4.705 -14.009 5.864 446 HD22 ASN 54 HD22 ASN 54 -3.128 -14.024 6.490 447 H THR 55 HN THR 55 -6.539 -11.794 2.496 448 HA THR 55 HA THR 55 -8.788 -9.914 2.968 449 HB THR 55 HB THR 55 -8.093 -11.568 0.528 450 HG1 THR 55 HG1 THR 55 -7.580 -9.347 -0.205 451 HG21 THR 55 HG21 THR 55 -10.447 -11.055 0.541 452 HG22 THR 55 HG22 THR 55 -9.673 -9.926 -0.568 453 HG23 THR 55 HG23 THR 55 -10.138 -9.396 1.049 454 H TYR 56 HN TYR 56 -10.736 -10.606 3.608 455 HA TYR 56 HA TYR 56 -11.297 -13.552 3.603 456 HB2 TYR 56 HB2 TYR 56 -12.528 -11.374 5.324 457 HB3 TYR 56 HB1 TYR 56 -12.743 -13.117 5.507 458 HD1 TYR 56 HD1 TYR 56 -10.322 -10.334 5.754 459 HD2 TYR 56 HD2 TYR 56 -11.047 -14.493 6.548 460 HE1 TYR 56 HE1 TYR 56 -8.267 -10.427 7.133 461 HE2 TYR 56 HE2 TYR 56 -8.988 -14.584 7.932 462 HH TYR 56 HH TYR 56 -7.490 -13.193 9.093 463 H TYR 57 HN TYR 57 -12.745 -14.095 2.015 464 HA TYR 57 HA TYR 57 -15.009 -12.223 1.465 465 HB2 TYR 57 HB2 TYR 57 -14.698 -12.470 -0.952 466 HB3 TYR 57 HB1 TYR 57 -13.241 -11.790 -0.231 467 HD1 TYR 57 HD1 TYR 57 -11.230 -13.212 0.123 468 HD2 TYR 57 HD2 TYR 57 -14.706 -14.668 -1.936 469 HE1 TYR 57 HE1 TYR 57 -9.898 -15.093 -0.792 470 HE2 TYR 57 HE2 TYR 57 -13.375 -16.551 -2.849 471 HH TYR 57 HH TYR 57 -10.635 -17.605 -1.673 472 H SER 58 HN SER 58 -16.847 -13.257 0.565 473 HA SER 58 HA SER 58 -16.821 -16.238 0.499 474 HB2 SER 58 HB2 SER 58 -17.680 -15.873 2.664 475 HB3 SER 58 HB1 SER 58 -18.577 -14.445 2.170 476 HG SER 58 HG SER 58 -20.067 -15.705 1.215 477 H ASP 59 HN ASP 59 -19.277 -16.842 -0.179 478 HA ASP 59 HA ASP 59 -19.568 -15.937 -2.873 479 HB2 ASP 59 HB2 ASP 59 -20.401 -18.123 -1.916 480 HB3 ASP 59 HB1 ASP 59 -21.703 -17.220 -1.144 481 H THR 60 HN THR 60 -21.367 -15.109 0.095 482 HA THR 60 HA THR 60 -23.228 -13.323 -1.155 483 HB THR 60 HB THR 60 -22.183 -13.127 1.686 484 HG1 THR 60 HG1 THR 60 -22.885 -15.274 0.945 485 HG21 THR 60 HG21 THR 60 -24.388 -12.227 2.161 486 HG22 THR 60 HG22 THR 60 -24.912 -12.540 0.505 487 HG23 THR 60 HG23 THR 60 -23.686 -11.314 0.825 488 H LEU 61 HN LEU 61 -20.103 -12.690 0.470 489 HA LEU 61 HA LEU 61 -20.146 -9.854 0.115 490 HB2 LEU 61 HB2 LEU 61 -17.979 -11.899 0.539 491 HB3 LEU 61 HB1 LEU 61 -17.533 -10.235 0.177 492 HG LEU 61 HG LEU 61 -18.800 -9.437 2.105 493 HD11 LEU 61 HD11 LEU 61 -19.712 -11.233 3.690 494 HD12 LEU 61 HD12 LEU 61 -19.581 -12.348 2.331 495 HD13 LEU 61 HD13 LEU 61 -20.642 -10.945 2.221 496 HD21 LEU 61 HD21 LEU 61 -16.494 -10.109 2.520 497 HD22 LEU 61 HD22 LEU 61 -16.987 -11.790 2.724 498 HD23 LEU 61 HD23 LEU 61 -17.482 -10.576 3.904 499 H HIS 62 HN HIS 62 -18.884 -12.469 -1.944 500 HA HIS 62 HA HIS 62 -17.724 -10.812 -3.949 501 HB2 HIS 62 HB2 HIS 62 -17.384 -13.276 -3.799 502 HB3 HIS 62 HB1 HIS 62 -19.058 -13.517 -4.302 503 HD1 HIS 62 HD1 HIS 62 -15.930 -11.748 -5.593 504 HD2 HIS 62 HD2 HIS 62 -19.340 -13.657 -7.044 505 HE1 HIS 62 HE1 HIS 62 -15.695 -11.816 -8.113 506 H LYS 63 HN LYS 63 -21.017 -12.067 -3.546 507 HA LYS 63 HA LYS 63 -22.096 -11.069 -5.994 508 HB2 LYS 63 HB2 LYS 63 -23.237 -12.703 -4.477 509 HB3 LYS 63 HB1 LYS 63 -23.517 -11.391 -3.332 510 HG2 LYS 63 HG2 LYS 63 -24.824 -10.174 -4.987 511 HG3 LYS 63 HG1 LYS 63 -24.481 -11.404 -6.203 512 HD2 LYS 63 HD2 LYS 63 -25.633 -13.091 -4.805 513 HD3 LYS 63 HD1 LYS 63 -26.006 -11.839 -3.620 514 HE2 LYS 63 HE2 LYS 63 -26.856 -11.720 -6.526 515 HE3 LYS 63 HE1 LYS 63 -27.890 -12.303 -5.221 516 HZ1 LYS 63 HZ1 LYS 63 -28.153 -10.239 -4.375 517 HZ2 LYS 63 HZ2 LYS 63 -27.853 -9.782 -5.983 518 HZ3 LYS 63 HZ3 LYS 63 -26.605 -9.717 -4.832 519 H SER 64 HN SER 64 -21.870 -9.627 -2.752 520 HA SER 64 HA SER 64 -23.111 -7.127 -3.586 521 HB2 SER 64 HB2 SER 64 -21.476 -7.806 -1.123 522 HB3 SER 64 HB1 SER 64 -22.388 -6.316 -1.355 523 HG SER 64 HG SER 64 -24.270 -7.533 -1.446 524 H ASN 65 HN ASN 65 -20.246 -8.492 -4.366 525 HA ASN 65 HA ASN 65 -18.230 -7.695 -5.226 526 HB2 ASN 65 HB2 ASN 65 -19.913 -5.189 -5.497 527 HB3 ASN 65 HB1 ASN 65 -18.274 -5.332 -6.122 528 HD21 ASN 65 HD21 ASN 65 -20.583 -4.955 -7.828 529 HD22 ASN 65 HD22 ASN 65 -20.750 -6.349 -8.781 530 H ILE 66 HN ILE 66 -18.574 -7.690 -2.379 531 HA ILE 66 HA ILE 66 -16.922 -5.315 -1.567 532 HB ILE 66 HB ILE 66 -18.582 -7.141 0.195 533 HG12 ILE 66 HG12 ILE 66 -20.095 -5.936 -1.252 534 HG13 ILE 66 HG11 ILE 66 -20.132 -5.158 0.326 535 HG21 ILE 66 HG21 ILE 66 -17.091 -4.548 0.651 536 HG22 ILE 66 HG22 ILE 66 -16.842 -6.096 1.459 537 HG23 ILE 66 HG23 ILE 66 -18.303 -5.164 1.774 538 HD11 ILE 66 HD11 ILE 66 -19.949 -3.338 -1.143 539 HD12 ILE 66 HD12 ILE 66 -18.866 -4.200 -2.229 540 HD13 ILE 66 HD13 ILE 66 -18.271 -3.610 -0.678 541 H TYR 67 HN TYR 67 -14.872 -5.744 -0.997 542 HA TYR 67 HA TYR 67 -14.113 -8.555 -0.271 543 HB2 TYR 67 HB2 TYR 67 -12.536 -6.598 -1.966 544 HB3 TYR 67 HB1 TYR 67 -12.039 -8.235 -1.536 545 HD1 TYR 67 HD1 TYR 67 -14.558 -6.244 -3.411 546 HD2 TYR 67 HD2 TYR 67 -12.916 -10.148 -2.684 547 HE1 TYR 67 HE1 TYR 67 -15.826 -7.139 -5.345 548 HE2 TYR 67 HE2 TYR 67 -14.185 -11.041 -4.619 549 HH TYR 67 HH TYR 67 -16.616 -10.016 -5.853 550 HA PRO 68 HA PRO 68 -12.596 -5.640 2.962 551 HB2 PRO 68 HB2 PRO 68 -13.249 -7.104 5.152 552 HB3 PRO 68 HB1 PRO 68 -14.433 -6.096 4.295 553 HG2 PRO 68 HG2 PRO 68 -14.052 -9.047 4.214 554 HG3 PRO 68 HG1 PRO 68 -15.545 -8.099 4.131 555 HD2 PRO 68 HD2 PRO 68 -14.230 -9.213 1.922 556 HD3 PRO 68 HD1 PRO 68 -15.422 -7.901 1.834 557 H PHE 69 HN PHE 69 -10.595 -5.681 4.029 558 HA PHE 69 HA PHE 69 -9.238 -8.250 4.485 559 HB2 PHE 69 HB2 PHE 69 -7.317 -7.730 3.063 560 HB3 PHE 69 HB1 PHE 69 -8.784 -7.742 2.083 561 HD1 PHE 69 HD1 PHE 69 -9.771 -5.662 1.251 562 HD2 PHE 69 HD2 PHE 69 -6.153 -5.645 3.567 563 HE1 PHE 69 HE1 PHE 69 -9.344 -3.318 0.565 564 HE2 PHE 69 HE2 PHE 69 -5.725 -3.300 2.881 565 HZ PHE 69 HZ PHE 69 -7.321 -2.136 1.380 566 H ILE 70 HN ILE 70 -7.138 -7.937 5.566 567 HA ILE 70 HA ILE 70 -6.863 -5.293 6.935 568 HB ILE 70 HB ILE 70 -6.869 -8.038 8.223 569 HG12 ILE 70 HG12 ILE 70 -8.597 -5.610 8.782 570 HG13 ILE 70 HG11 ILE 70 -9.087 -6.922 7.712 571 HG21 ILE 70 HG21 ILE 70 -6.591 -6.537 10.334 572 HG22 ILE 70 HG22 ILE 70 -5.982 -5.329 9.206 573 HG23 ILE 70 HG23 ILE 70 -5.163 -6.879 9.361 574 HD11 ILE 70 HD11 ILE 70 -8.291 -7.282 10.614 575 HD12 ILE 70 HD12 ILE 70 -8.908 -8.532 9.534 576 HD13 ILE 70 HD13 ILE 70 -9.955 -7.204 10.036 577 H LEU 71 HN LEU 71 -4.718 -4.804 7.568 578 HA LEU 71 HA LEU 71 -2.626 -6.438 6.184 579 HB2 LEU 71 HB2 LEU 71 -2.405 -3.616 7.265 580 HB3 LEU 71 HB1 LEU 71 -1.291 -4.430 6.169 581 HG LEU 71 HG LEU 71 -4.137 -3.576 5.583 582 HD11 LEU 71 HD11 LEU 71 -3.152 -2.069 4.019 583 HD12 LEU 71 HD12 LEU 71 -1.577 -2.850 4.148 584 HD13 LEU 71 HD13 LEU 71 -2.204 -1.903 5.497 585 HD21 LEU 71 HD21 LEU 71 -2.243 -5.391 4.082 586 HD22 LEU 71 HD22 LEU 71 -3.474 -4.460 3.230 587 HD23 LEU 71 HD23 LEU 71 -3.951 -5.641 4.445 588 H TYR 72 HN TYR 72 -1.146 -7.502 7.392 589 HA TYR 72 HA TYR 72 -0.918 -6.827 10.306 590 HB2 TYR 72 HB2 TYR 72 -0.971 -9.534 8.959 591 HB3 TYR 72 HB1 TYR 72 -0.475 -9.285 10.632 592 HD1 TYR 72 HD2 TYR 72 -2.125 -7.962 12.154 593 HD2 TYR 72 HD1 TYR 72 -3.255 -9.841 8.462 594 HE1 TYR 72 HE2 TYR 72 -4.496 -7.947 12.874 595 HE2 TYR 72 HE1 TYR 72 -5.629 -9.827 9.182 596 HH TYR 72 HH TYR 72 -6.554 -8.966 12.432 597 H TYR 73 HN TYR 73 1.113 -6.384 10.956 598 HA TYR 73 HA TYR 73 3.429 -7.759 9.899 599 HB2 TYR 73 HB2 TYR 73 3.136 -6.278 7.996 600 HB3 TYR 73 HB1 TYR 73 2.989 -4.880 9.055 601 HD1 TYR 73 HD2 TYR 73 5.336 -7.631 8.104 602 HD2 TYR 73 HD1 TYR 73 4.900 -3.679 9.732 603 HE1 TYR 73 HE2 TYR 73 7.802 -7.355 8.100 604 HE2 TYR 73 HE1 TYR 73 7.363 -3.404 9.726 605 HH TYR 73 HH TYR 73 9.340 -4.577 8.224 606 H GLN 74 HN GLN 74 4.560 -7.969 11.766 607 HA GLN 74 HA GLN 74 5.494 -7.458 13.858 608 HB2 GLN 74 HB2 GLN 74 5.621 -4.753 12.492 609 HB3 GLN 74 HB1 GLN 74 6.389 -5.101 14.040 610 HG2 GLN 74 HG2 GLN 74 7.699 -6.905 12.998 611 HG3 GLN 74 HG1 GLN 74 6.920 -6.582 11.449 612 HE21 GLN 74 HE21 GLN 74 6.977 -3.571 12.243 613 HE22 GLN 74 HE22 GLN 74 8.566 -3.099 11.876 614 H LYS 75 HN LYS 75 4.004 -4.285 13.428 615 HA LYS 75 HA LYS 75 2.788 -4.347 16.035 616 HB2 LYS 75 HB2 LYS 75 2.025 -2.550 13.719 617 HB3 LYS 75 HB1 LYS 75 1.829 -2.220 15.439 618 HG2 LYS 75 HG2 LYS 75 4.502 -2.586 14.049 619 HG3 LYS 75 HG1 LYS 75 3.789 -1.027 14.451 620 HD2 LYS 75 HD2 LYS 75 3.745 -1.760 16.869 621 HD3 LYS 75 HD1 LYS 75 4.659 -3.188 16.390 622 HE2 LYS 75 HE2 LYS 75 6.495 -1.841 15.592 623 HE3 LYS 75 HE1 LYS 75 5.581 -0.358 15.869 624 HZ1 LYS 75 HZ1 LYS 75 7.275 -1.253 17.634 625 HZ2 LYS 75 HZ2 LYS 75 5.951 -2.205 18.112 626 HZ3 LYS 75 HZ3 LYS 75 5.827 -0.510 18.113 627 H GLN 76 HN GLN 76 2.036 -6.326 13.699 628 HA GLN 76 HA GLN 76 0.138 -7.511 13.061 629 HB2 GLN 76 HB2 GLN 76 -0.838 -6.403 15.711 630 HB3 GLN 76 HB1 GLN 76 -1.657 -7.663 14.789 631 HG2 GLN 76 HG2 GLN 76 0.357 -9.072 14.918 632 HG3 GLN 76 HG1 GLN 76 1.174 -7.815 15.850 633 HE21 GLN 76 HE21 GLN 76 1.128 -9.954 17.362 634 HE22 GLN 76 HE22 GLN 76 -0.165 -10.001 18.461 635 H LEU 77 HN LEU 77 -2.396 -5.970 14.474 636 HA LEU 77 HA LEU 77 -3.580 -5.100 12.092 637 HB2 LEU 77 HB2 LEU 77 -4.750 -5.481 14.276 638 HB3 LEU 77 HB1 LEU 77 -4.071 -3.961 14.854 639 HG LEU 77 HG LEU 77 -5.188 -2.781 12.952 640 HD11 LEU 77 HD11 LEU 77 -6.076 -5.592 12.364 641 HD12 LEU 77 HD12 LEU 77 -5.560 -4.326 11.250 642 HD13 LEU 77 HD13 LEU 77 -7.161 -4.258 11.974 643 HD21 LEU 77 HD21 LEU 77 -6.334 -2.699 15.028 644 HD22 LEU 77 HD22 LEU 77 -6.826 -4.390 14.919 645 HD23 LEU 77 HD23 LEU 77 -7.559 -3.188 13.856 646 H ILE 78 HN ILE 78 -2.762 -3.593 10.753 647 HA ILE 78 HA ILE 78 -1.603 -1.082 11.921 648 HB ILE 78 HB ILE 78 -1.041 -2.579 9.365 649 HG12 ILE 78 HG12 ILE 78 0.841 -1.497 11.471 650 HG13 ILE 78 HG11 ILE 78 0.102 -3.093 11.605 651 HG21 ILE 78 HG21 ILE 78 0.572 -0.612 8.951 652 HG22 ILE 78 HG22 ILE 78 -0.410 0.287 10.109 653 HG23 ILE 78 HG23 ILE 78 -1.134 -0.317 8.619 654 HD11 ILE 78 HD11 ILE 78 1.811 -2.111 9.320 655 HD12 ILE 78 HD12 ILE 78 1.032 -3.692 9.409 656 HD13 ILE 78 HD13 ILE 78 2.296 -3.263 10.564 657 H ALA 79 HN ALA 79 -3.587 -2.365 9.259 658 HA ALA 79 HA ALA 79 -5.300 0.026 9.398 659 HB1 ALA 79 HB1 ALA 79 -3.811 -0.707 6.858 660 HB2 ALA 79 HB2 ALA 79 -3.454 0.690 7.871 661 HB3 ALA 79 HB3 ALA 79 -4.999 0.584 7.027 662 H ILE 80 HN ILE 80 -7.301 -0.297 8.291 663 HA ILE 80 HA ILE 80 -7.789 -3.042 7.203 664 HB ILE 80 HB ILE 80 -9.846 -3.209 8.467 665 HG12 ILE 80 HG12 ILE 80 -9.164 -0.416 9.431 666 HG13 ILE 80 HG11 ILE 80 -10.569 -0.892 8.479 667 HG21 ILE 80 HG21 ILE 80 -8.961 -3.571 10.625 668 HG22 ILE 80 HG22 ILE 80 -7.849 -2.208 10.497 669 HG23 ILE 80 HG23 ILE 80 -7.546 -3.681 9.583 670 HD11 ILE 80 HD11 ILE 80 -9.988 -1.451 11.377 671 HD12 ILE 80 HD12 ILE 80 -11.089 -2.490 10.476 672 HD13 ILE 80 HD13 ILE 80 -11.444 -0.771 10.652 673 H GLY 81 HN GLY 81 -9.584 -3.076 5.666 674 HA2 GLY 81 HA2 GLY 81 -11.105 -0.739 5.017 675 HA3 GLY 81 HA1 GLY 81 -9.697 -0.817 3.958 676 H PHE 82 HN PHE 82 -11.982 -0.996 2.626 677 HA PHE 82 HA PHE 82 -12.003 -3.806 1.729 678 HB2 PHE 82 HB2 PHE 82 -14.452 -3.983 1.843 679 HB3 PHE 82 HB1 PHE 82 -13.790 -3.694 3.451 680 HD1 PHE 82 HD2 PHE 82 -14.049 -1.529 4.559 681 HD2 PHE 82 HD1 PHE 82 -15.711 -2.251 0.664 682 HE1 PHE 82 HE2 PHE 82 -15.438 0.514 4.774 683 HE2 PHE 82 HE1 PHE 82 -17.101 -0.207 0.880 684 HZ PHE 82 HZ PHE 82 -16.964 1.175 2.936 685 H ILE 83 HN ILE 83 -12.874 -4.057 -0.393 686 HA ILE 83 HA ILE 83 -12.912 -1.506 -1.948 687 HB ILE 83 HB ILE 83 -12.385 -4.356 -2.827 688 HG12 ILE 83 HG12 ILE 83 -10.511 -1.977 -2.702 689 HG13 ILE 83 HG11 ILE 83 -10.635 -3.174 -1.414 690 HG21 ILE 83 HG21 ILE 83 -12.482 -1.729 -4.329 691 HG22 ILE 83 HG22 ILE 83 -13.371 -3.210 -4.681 692 HG23 ILE 83 HG23 ILE 83 -11.630 -3.142 -4.950 693 HD11 ILE 83 HD11 ILE 83 -10.090 -3.966 -4.276 694 HD12 ILE 83 HD12 ILE 83 -9.840 -4.918 -2.813 695 HD13 ILE 83 HD13 ILE 83 -8.791 -3.543 -3.161 696 H ASP 84 HN ASP 84 -14.837 -0.817 -2.618 697 HA ASP 84 HA ASP 84 -17.141 -2.682 -2.596 698 HB2 ASP 84 HB2 ASP 84 -17.267 -0.453 -1.454 699 HB3 ASP 84 HB1 ASP 84 -17.113 0.315 -3.035 700 H GLU 85 HN GLU 85 -18.639 -2.702 -4.407 701 HA GLU 85 HA GLU 85 -19.034 -3.099 -6.688 702 HB2 GLU 85 HB2 GLU 85 -17.566 -0.445 -6.838 703 HB3 GLU 85 HB1 GLU 85 -18.524 -1.146 -8.143 704 HG2 GLU 85 HG2 GLU 85 -19.597 -0.475 -5.388 705 HG3 GLU 85 HG1 GLU 85 -19.807 0.534 -6.817 706 H ASN 86 HN ASN 86 -16.273 -3.797 -5.428 707 HA ASN 86 HA ASN 86 -14.301 -4.813 -6.177 708 HB2 ASN 86 HB2 ASN 86 -16.113 -6.054 -7.512 709 HB3 ASN 86 HB1 ASN 86 -15.659 -5.024 -8.867 710 HD21 ASN 86 HD21 ASN 86 -13.900 -6.956 -6.363 711 HD22 ASN 86 HD22 ASN 86 -12.801 -7.639 -7.461 712 H HIS 87 HN HIS 87 -14.455 -1.940 -6.341 713 HA HIS 87 HA HIS 87 -12.242 -1.493 -8.190 714 HB2 HIS 87 HB2 HIS 87 -14.110 -1.236 -9.759 715 HB3 HIS 87 HB1 HIS 87 -14.899 -0.102 -8.662 716 HD1 HIS 87 HD1 HIS 87 -11.663 -0.426 -10.646 717 HD2 HIS 87 HD2 HIS 87 -14.089 2.535 -8.995 718 HE1 HIS 87 HE1 HIS 87 -10.694 1.792 -11.392 719 H ASP 88 HN ASP 88 -14.795 0.402 -6.554 720 HA ASP 88 HA ASP 88 -13.028 2.506 -5.747 721 HB2 ASP 88 HB2 ASP 88 -15.466 2.798 -5.857 722 HB3 ASP 88 HB1 ASP 88 -15.673 1.626 -4.554 723 H MET 89 HN MET 89 -11.576 2.559 -4.104 724 HA MET 89 HA MET 89 -11.587 0.326 -2.121 725 HB2 MET 89 HB2 MET 89 -9.520 0.793 -3.514 726 HB3 MET 89 HB1 MET 89 -9.380 2.322 -2.646 727 HG2 MET 89 HG2 MET 89 -9.208 1.154 -0.519 728 HG3 MET 89 HG1 MET 89 -9.502 -0.394 -1.303 729 HE1 MET 89 HE1 MET 89 -7.501 -1.964 -1.756 730 HE2 MET 89 HE2 MET 89 -6.433 -1.412 -3.044 731 HE3 MET 89 HE3 MET 89 -8.178 -1.254 -3.229 732 H ASP 90 HN ASP 90 -12.753 0.901 -0.347 733 HA ASP 90 HA ASP 90 -12.548 3.708 0.672 734 HB2 ASP 90 HB2 ASP 90 -14.578 1.511 1.154 735 HB3 ASP 90 HB1 ASP 90 -14.567 3.040 2.036 736 H PHE 91 HN PHE 91 -11.729 4.093 2.704 737 HA PHE 91 HA PHE 91 -10.687 1.724 4.229 738 HB2 PHE 91 HB2 PHE 91 -9.630 4.540 3.888 739 HB3 PHE 91 HB1 PHE 91 -9.070 3.473 5.180 740 HD1 PHE 91 HD1 PHE 91 -7.881 1.381 4.667 741 HD2 PHE 91 HD2 PHE 91 -9.077 4.100 1.566 742 HE1 PHE 91 HE1 PHE 91 -6.390 0.212 3.069 743 HE2 PHE 91 HE2 PHE 91 -7.583 2.933 -0.032 744 HZ PHE 91 HZ PHE 91 -6.243 0.987 0.720 745 H LEU 92 HN LEU 92 -11.298 1.514 6.329 746 HA LEU 92 HA LEU 92 -13.290 3.472 7.361 747 HB2 LEU 92 HB2 LEU 92 -13.592 0.875 7.245 748 HB3 LEU 92 HB1 LEU 92 -12.567 0.851 8.678 749 HG LEU 92 HG LEU 92 -15.149 2.414 8.384 750 HD11 LEU 92 HD11 LEU 92 -14.537 -0.001 10.105 751 HD12 LEU 92 HD12 LEU 92 -15.358 -0.087 8.546 752 HD13 LEU 92 HD13 LEU 92 -16.102 0.783 9.888 753 HD21 LEU 92 HD21 LEU 92 -14.767 2.558 10.965 754 HD22 LEU 92 HD22 LEU 92 -13.853 3.643 9.924 755 HD23 LEU 92 HD23 LEU 92 -13.085 2.195 10.578 756 H TYR 93 HN TYR 93 -10.732 1.483 8.876 757 HA TYR 93 HA TYR 93 -9.987 3.854 10.564 758 HB2 TYR 93 HB2 TYR 93 -11.042 2.064 11.867 759 HB3 TYR 93 HB1 TYR 93 -9.897 0.896 11.217 760 HD1 TYR 93 HD1 TYR 93 -9.940 4.208 12.978 761 HD2 TYR 93 HD2 TYR 93 -7.956 0.436 12.447 762 HE1 TYR 93 HE1 TYR 93 -8.339 4.797 14.777 763 HE2 TYR 93 HE2 TYR 93 -6.357 1.024 14.245 764 HH TYR 93 HH TYR 93 -5.666 2.606 15.643 765 H LEU 94 HN LEU 94 -7.958 4.563 10.242 766 HA LEU 94 HA LEU 94 -5.934 2.690 9.052 767 HB2 LEU 94 HB2 LEU 94 -6.523 4.420 7.452 768 HB3 LEU 94 HB1 LEU 94 -6.312 5.676 8.670 769 HG LEU 94 HG LEU 94 -3.921 5.237 8.788 770 HD11 LEU 94 HD11 LEU 94 -3.677 2.912 8.516 771 HD12 LEU 94 HD12 LEU 94 -3.010 3.553 7.017 772 HD13 LEU 94 HD13 LEU 94 -4.642 2.885 7.041 773 HD21 LEU 94 HD21 LEU 94 -3.298 6.042 6.631 774 HD22 LEU 94 HD22 LEU 94 -4.939 6.632 6.889 775 HD23 LEU 94 HD23 LEU 94 -4.658 5.233 5.855 776 H HIS 95 HN HIS 95 -4.281 2.267 10.392 777 HA HIS 95 HA HIS 95 -3.483 4.311 12.429 778 HB2 HIS 95 HB2 HIS 95 -4.675 2.495 13.564 779 HB3 HIS 95 HB1 HIS 95 -3.630 1.305 12.791 780 HD1 HIS 95 HD1 HIS 95 -1.298 3.796 13.371 781 HD2 HIS 95 HD2 HIS 95 -3.355 1.286 15.986 782 HE1 HIS 95 HE1 HIS 95 0.072 3.709 15.501 783 H ASN 96 HN ASN 96 -1.615 5.057 11.534 784 HA ASN 96 HA ASN 96 0.167 3.301 10.039 785 HB2 ASN 96 HB2 ASN 96 0.517 6.159 10.992 786 HB3 ASN 96 HB1 ASN 96 1.619 5.316 9.903 787 HD21 ASN 96 HD21 ASN 96 -0.780 3.877 8.633 788 HD22 ASN 96 HD22 ASN 96 -1.469 5.043 7.610 789 H THR 97 HN THR 97 2.584 3.429 10.642 790 HA THR 97 HA THR 97 2.944 2.091 13.146 791 HB THR 97 HB THR 97 5.385 2.325 12.618 792 HG1 THR 97 HG1 THR 97 4.694 3.474 10.178 793 HG21 THR 97 HG21 THR 97 3.457 1.427 10.468 794 HG22 THR 97 HG22 THR 97 4.292 0.433 11.663 795 HG23 THR 97 HG23 THR 97 5.197 1.169 10.339 796 H VAL 98 HN VAL 98 3.353 5.477 12.177 797 HA VAL 98 HA VAL 98 4.510 6.142 14.824 798 HB VAL 98 HB VAL 98 3.910 7.869 12.403 799 HG11 VAL 98 HG11 VAL 98 5.258 8.493 15.049 800 HG12 VAL 98 HG12 VAL 98 3.811 9.257 14.388 801 HG13 VAL 98 HG13 VAL 98 5.377 9.525 13.625 802 HG21 VAL 98 HG21 VAL 98 5.737 6.159 12.180 803 HG22 VAL 98 HG22 VAL 98 6.541 6.900 13.563 804 HG23 VAL 98 HG23 VAL 98 6.321 7.820 12.074 805 H MET 99 HN MET 99 1.676 7.263 12.897 806 HA MET 99 HA MET 99 0.077 7.333 15.350 807 HB2 MET 99 HB2 MET 99 -0.461 9.766 15.127 808 HB3 MET 99 HB1 MET 99 1.227 9.474 15.545 809 HG2 MET 99 HG2 MET 99 1.851 9.709 13.161 810 HG3 MET 99 HG1 MET 99 0.165 10.029 12.756 811 HE1 MET 99 HE1 MET 99 0.933 13.610 12.292 812 HE2 MET 99 HE2 MET 99 -0.053 12.209 11.884 813 HE3 MET 99 HE3 MET 99 1.685 12.163 11.606 814 HA PRO 100 HA PRO 100 -3.035 6.549 12.276 815 HB2 PRO 100 HB2 PRO 100 -5.309 7.287 13.641 816 HB3 PRO 100 HB1 PRO 100 -4.422 5.785 13.963 817 HG2 PRO 100 HG2 PRO 100 -4.343 8.379 15.438 818 HG3 PRO 100 HG1 PRO 100 -4.337 6.720 16.067 819 HD2 PRO 100 HD2 PRO 100 -2.060 8.223 15.878 820 HD3 PRO 100 HD1 PRO 100 -2.054 6.452 15.726 821 H LEU 101 HN LEU 101 -4.247 7.601 10.680 822 HA LEU 101 HA LEU 101 -4.114 10.595 10.731 823 HB2 LEU 101 HB2 LEU 101 -4.446 8.740 8.356 824 HB3 LEU 101 HB1 LEU 101 -4.155 10.479 8.308 825 HG LEU 101 HG LEU 101 -2.261 8.401 9.448 826 HD11 LEU 101 HD11 LEU 101 -2.284 9.995 6.877 827 HD12 LEU 101 HD12 LEU 101 -2.228 8.242 7.063 828 HD13 LEU 101 HD13 LEU 101 -0.830 9.221 7.503 829 HD21 LEU 101 HD21 LEU 101 -1.814 10.345 10.691 830 HD22 LEU 101 HD22 LEU 101 -2.227 11.418 9.353 831 HD23 LEU 101 HD23 LEU 101 -0.709 10.520 9.331 832 H LEU 102 HN LEU 102 -6.253 7.886 9.784 833 HA LEU 102 HA LEU 102 -8.597 9.743 10.097 834 HB2 LEU 102 HB2 LEU 102 -8.326 7.390 8.203 835 HB3 LEU 102 HB1 LEU 102 -9.731 8.443 8.356 836 HG LEU 102 HG LEU 102 -6.956 9.343 7.525 837 HD11 LEU 102 HD11 LEU 102 -8.275 7.889 5.892 838 HD12 LEU 102 HD12 LEU 102 -7.810 9.482 5.295 839 HD13 LEU 102 HD13 LEU 102 -9.463 9.191 5.835 840 HD21 LEU 102 HD21 LEU 102 -7.938 11.249 8.482 841 HD22 LEU 102 HD22 LEU 102 -9.570 10.771 8.012 842 HD23 LEU 102 HD23 LEU 102 -8.449 11.396 6.804 843 H ASP 103 HN ASP 103 -10.308 8.984 11.287 844 HA ASP 103 HA ASP 103 -10.654 6.198 11.972 845 HB2 ASP 103 HB2 ASP 103 -10.189 6.438 14.401 846 HB3 ASP 103 HB1 ASP 103 -8.736 6.668 13.428 847 H GLN 104 HN GLN 104 -12.858 6.190 11.864 848 HA GLN 104 HA GLN 104 -14.362 8.487 13.071 849 HB2 GLN 104 HB2 GLN 104 -15.146 6.442 10.978 850 HB3 GLN 104 HB1 GLN 104 -16.264 7.610 11.686 851 HG2 GLN 104 HG2 GLN 104 -14.871 9.465 10.886 852 HG3 GLN 104 HG1 GLN 104 -13.706 8.321 10.221 853 HE21 GLN 104 HE21 GLN 104 -14.547 9.844 8.247 854 HE22 GLN 104 HE22 GLN 104 -15.797 9.152 7.331 855 H ARG 105 HN ARG 105 -15.073 8.058 15.059 856 HA ARG 105 HA ARG 105 -15.231 5.435 16.205 857 HB2 ARG 105 HB2 ARG 105 -16.416 8.089 17.065 858 HB3 ARG 105 HB1 ARG 105 -16.485 6.625 18.046 859 HG2 ARG 105 HG2 ARG 105 -14.031 6.486 18.046 860 HG3 ARG 105 HG1 ARG 105 -13.942 7.928 17.032 861 HD2 ARG 105 HD2 ARG 105 -15.092 9.226 18.805 862 HD3 ARG 105 HD1 ARG 105 -15.117 7.788 19.825 863 HE ARG 105 HE ARG 105 -12.759 9.445 19.218 864 HH11 ARG 105 HH21 ARG 105 -14.055 6.467 20.388 865 HH12 ARG 105 HH22 ARG 105 -12.652 6.073 21.321 866 HH21 ARG 105 HH11 ARG 105 -10.925 8.941 20.429 867 HH22 ARG 105 HH12 ARG 105 -10.879 7.470 21.343 868 H TYR 106 HN TYR 106 -17.618 7.542 14.675 869 HA TYR 106 HA TYR 106 -19.992 6.201 15.411 870 HB2 TYR 106 HB2 TYR 106 -19.352 7.443 12.716 871 HB3 TYR 106 HB1 TYR 106 -20.962 7.164 13.377 872 HD1 TYR 106 HD1 TYR 106 -21.753 8.450 15.351 873 HD2 TYR 106 HD2 TYR 106 -17.987 9.281 13.460 874 HE1 TYR 106 HE1 TYR 106 -21.655 10.642 16.507 875 HE2 TYR 106 HE2 TYR 106 -17.888 11.472 14.616 876 HH TYR 106 HH TYR 106 -20.611 12.668 16.515 877 H LEU 107 HN LEU 107 -17.889 5.611 12.590 878 HA LEU 107 HA LEU 107 -19.394 3.399 11.574 879 HB2 LEU 107 HB2 LEU 107 -16.572 4.386 11.204 880 HB3 LEU 107 HB1 LEU 107 -17.065 2.849 10.496 881 HG LEU 107 HG LEU 107 -18.856 3.928 9.258 882 HD11 LEU 107 HD11 LEU 107 -19.632 5.609 10.741 883 HD12 LEU 107 HD12 LEU 107 -18.957 6.496 9.375 884 HD13 LEU 107 HD13 LEU 107 -18.037 6.346 10.870 885 HD21 LEU 107 HD21 LEU 107 -17.445 5.648 7.950 886 HD22 LEU 107 HD22 LEU 107 -16.812 4.007 8.048 887 HD23 LEU 107 HD23 LEU 107 -16.150 5.270 9.085 888 H LEU 108 HN LEU 108 -16.650 3.544 13.844 889 HA LEU 108 HA LEU 108 -16.562 0.617 14.064 890 HB2 LEU 108 HB2 LEU 108 -15.194 2.738 15.742 891 HB3 LEU 108 HB1 LEU 108 -14.813 1.017 15.733 892 HG LEU 108 HG LEU 108 -14.597 2.867 13.339 893 HD11 LEU 108 HD11 LEU 108 -12.256 2.872 13.674 894 HD12 LEU 108 HD12 LEU 108 -12.323 1.521 14.804 895 HD13 LEU 108 HD13 LEU 108 -12.913 3.111 15.291 896 HD21 LEU 108 HD21 LEU 108 -14.975 0.742 12.411 897 HD22 LEU 108 HD22 LEU 108 -14.177 -0.094 13.744 898 HD23 LEU 108 HD23 LEU 108 -13.218 0.765 12.538 899 H THR 109 HN THR 109 -18.658 2.889 15.244 900 HA THR 109 HA THR 109 -19.032 1.560 17.886 901 HB THR 109 HB THR 109 -20.348 3.995 16.636 902 HG1 THR 109 HG1 THR 109 -18.755 3.895 18.950 903 HG21 THR 109 HG21 THR 109 -21.214 4.287 19.020 904 HG22 THR 109 HG22 THR 109 -20.761 2.604 19.287 905 HG23 THR 109 HG23 THR 109 -21.976 3.009 18.074 906 H GLY 110 HN GLY 110 -20.201 1.497 14.672 907 HA2 GLY 110 HA2 GLY 110 -21.846 0.154 13.677 908 HA3 GLY 110 HA1 GLY 110 -22.019 -0.663 15.230 909 H GLY 111 HN GLY 111 -24.329 -0.370 14.009 910 HA2 GLY 111 HA2 GLY 111 -26.500 0.394 14.503 911 HA3 GLY 111 HA1 GLY 111 -25.802 1.468 15.715 912 H GLN 112 HN GLN 112 -27.841 2.378 14.076 913 HA GLN 112 HA GLN 112 -26.608 3.954 11.893 914 HB2 GLN 112 HB2 GLN 112 -28.934 4.670 11.439 915 HB3 GLN 112 HB1 GLN 112 -28.805 2.912 11.497 916 HG2 GLN 112 HG2 GLN 112 -29.552 2.977 13.878 917 HG3 GLN 112 HG1 GLN 112 -29.788 4.719 13.724 918 HE21 GLN 112 HE21 GLN 112 -32.147 4.168 14.195 919 HE22 GLN 112 HE22 GLN 112 -33.126 3.665 12.903 920 H LEU 113 HN LEU 113 -27.126 6.348 11.843 921 HA LEU 113 HA LEU 113 -26.403 7.528 14.423 922 HB2 LEU 113 HB2 LEU 113 -26.863 8.607 11.640 923 HB3 LEU 113 HB1 LEU 113 -26.641 9.695 13.009 924 HG LEU 113 HG LEU 113 -24.480 8.624 13.520 925 HD11 LEU 113 HD11 LEU 113 -25.268 6.883 11.179 926 HD12 LEU 113 HD12 LEU 113 -24.737 6.387 12.787 927 HD13 LEU 113 HD13 LEU 113 -23.580 7.076 11.651 928 HD21 LEU 113 HD21 LEU 113 -24.427 10.546 12.037 929 HD22 LEU 113 HD22 LEU 113 -24.839 9.538 10.648 930 HD23 LEU 113 HD23 LEU 113 -23.270 9.357 11.436 931 H GLU 114 HN GLU 114 -27.943 7.955 15.918 932 HA GLU 114 HA GLU 114 -30.755 8.367 15.060 933 HB2 GLU 114 HB2 GLU 114 -30.253 6.807 16.943 934 HB3 GLU 114 HB1 GLU 114 -29.594 8.167 17.856 935 HG2 GLU 114 HG2 GLU 114 -31.759 9.310 17.778 936 HG3 GLU 114 HG1 GLU 114 -32.432 8.009 16.794 937 H HIS 115 HN HIS 115 -31.899 10.276 15.542 938 HA HIS 115 HA HIS 115 -30.315 12.572 16.633 939 HB2 HIS 115 HB2 HIS 115 -31.211 14.028 14.890 940 HB3 HIS 115 HB1 HIS 115 -30.355 12.681 14.141 941 HD1 HIS 115 HD1 HIS 115 -31.825 10.789 13.049 942 HD2 HIS 115 HD2 HIS 115 -33.986 14.092 14.390 943 HE1 HIS 115 HE1 HIS 115 -34.128 10.608 12.010 944 H HIS 116 HN HIS 116 -31.386 13.387 18.335 945 HA HIS 116 HA HIS 116 -33.122 13.932 19.801 946 HB2 HIS 116 HB2 HIS 116 -33.769 15.431 17.960 947 HB3 HIS 116 HB1 HIS 116 -34.692 14.128 17.213 948 HD1 HIS 116 HD1 HIS 116 -34.556 15.897 20.597 949 HD2 HIS 116 HD2 HIS 116 -37.316 14.087 18.052 950 HE1 HIS 116 HE1 HIS 116 -36.828 16.201 21.673 951 H HIS 117 HN HIS 117 -35.132 13.107 20.756 952 HA HIS 117 HA HIS 117 -35.473 10.211 20.184 953 HB2 HIS 117 HB2 HIS 117 -36.297 11.981 22.499 954 HB3 HIS 117 HB1 HIS 117 -36.786 10.291 22.357 955 HD1 HIS 117 HD1 HIS 117 -34.766 8.517 22.198 956 HD2 HIS 117 HD2 HIS 117 -33.711 12.341 23.476 957 HE1 HIS 117 HE1 HIS 117 -32.469 8.312 23.241 958 H HIS 118 HN HIS 118 -36.841 10.151 18.413 959 HA HIS 118 HA HIS 118 -39.177 11.790 18.086 960 HB2 HIS 118 HB2 HIS 118 -38.055 10.559 16.231 961 HB3 HIS 118 HB1 HIS 118 -38.605 9.040 16.938 962 HD1 HIS 118 HD1 HIS 118 -41.186 8.563 16.896 963 HD2 HIS 118 HD2 HIS 118 -40.046 12.014 14.854 964 HE1 HIS 118 HE1 HIS 118 -43.169 9.242 15.475 965 H HIS 119 HN HIS 119 -38.645 8.569 19.456 966 HA HIS 119 HA HIS 119 -41.461 8.092 19.985 967 HB2 HIS 119 HB2 HIS 119 -38.945 6.758 21.022 968 HB3 HIS 119 HB1 HIS 119 -40.579 6.176 21.339 969 HD1 HIS 119 HD1 HIS 119 -38.047 6.554 18.587 970 HD2 HIS 119 HD2 HIS 119 -41.872 4.978 19.108 971 HE1 HIS 119 HE1 HIS 119 -38.561 5.212 16.500 972 H HIS 120 HN HIS 120 -42.507 8.184 22.016 973 HA HIS 120 HA HIS 120 -41.078 9.232 24.358 974 HB2 HIS 120 HB2 HIS 120 -42.494 11.229 24.584 975 HB3 HIS 120 HB1 HIS 120 -41.590 11.290 23.070 976 HD1 HIS 120 HD1 HIS 120 -42.924 10.776 20.861 977 HD2 HIS 120 HD2 HIS 120 -45.292 11.033 24.282 978 HE1 HIS 120 HE1 HIS 120 -45.318 10.968 20.061 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -8.117 -7.602 17.213 2 H2 MET 1 HT2 MET 1 -6.687 -7.604 18.134 3 H3 MET 1 HT3 MET 1 -7.208 -6.180 17.368 4 HA MET 1 HA MET 1 -8.006 -7.310 19.893 5 HB2 MET 1 HB2 MET 1 -6.961 -5.019 19.359 6 HB3 MET 1 HB1 MET 1 -8.555 -4.565 18.752 7 HG2 MET 1 HG2 MET 1 -8.492 -3.870 21.048 8 HG3 MET 1 HG1 MET 1 -9.493 -5.320 21.005 9 HE1 MET 1 HE1 MET 1 -6.834 -3.580 22.891 10 HE2 MET 1 HE2 MET 1 -5.958 -3.922 21.400 11 HE3 MET 1 HE3 MET 1 -5.432 -4.658 22.912 12 H THR 2 HN THR 2 -10.198 -4.989 19.303 13 HA THR 2 HA THR 2 -12.358 -6.963 18.712 14 HB THR 2 HB THR 2 -13.828 -5.039 19.552 15 HG1 THR 2 HG1 THR 2 -11.237 -4.045 20.056 16 HG21 THR 2 HG21 THR 2 -13.233 -6.994 20.934 17 HG22 THR 2 HG22 THR 2 -13.321 -5.527 21.909 18 HG23 THR 2 HG23 THR 2 -11.752 -6.183 21.442 19 H LEU 3 HN LEU 3 -10.446 -4.828 17.103 20 HA LEU 3 HA LEU 3 -12.291 -3.336 15.488 21 HB2 LEU 3 HB2 LEU 3 -9.449 -4.271 15.117 22 HB3 LEU 3 HB1 LEU 3 -10.283 -3.408 13.826 23 HG LEU 3 HG LEU 3 -10.287 -2.254 16.614 24 HD11 LEU 3 HD11 LEU 3 -8.223 -0.960 15.939 25 HD12 LEU 3 HD12 LEU 3 -8.026 -2.094 14.605 26 HD13 LEU 3 HD13 LEU 3 -7.938 -2.669 16.268 27 HD21 LEU 3 HD21 LEU 3 -11.691 -1.225 14.850 28 HD22 LEU 3 HD22 LEU 3 -10.269 -1.046 13.823 29 HD23 LEU 3 HD23 LEU 3 -10.390 -0.134 15.327 30 H GLU 4 HN GLU 4 -10.822 -6.522 15.132 31 HA GLU 4 HA GLU 4 -11.746 -7.112 12.508 32 HB2 GLU 4 HB2 GLU 4 -10.082 -8.459 13.852 33 HB3 GLU 4 HB1 GLU 4 -11.433 -9.063 14.807 34 HG2 GLU 4 HG2 GLU 4 -10.979 -10.703 13.103 35 HG3 GLU 4 HG1 GLU 4 -12.474 -9.883 12.647 36 H LEU 5 HN LEU 5 -13.212 -7.913 15.661 37 HA LEU 5 HA LEU 5 -15.586 -9.097 14.571 38 HB2 LEU 5 HB2 LEU 5 -14.860 -7.915 17.246 39 HB3 LEU 5 HB1 LEU 5 -16.503 -8.471 16.933 40 HG LEU 5 HG LEU 5 -15.617 -10.697 16.308 41 HD11 LEU 5 HD11 LEU 5 -13.168 -11.100 17.006 42 HD12 LEU 5 HD12 LEU 5 -12.990 -9.347 16.952 43 HD13 LEU 5 HD13 LEU 5 -13.437 -10.235 15.495 44 HD21 LEU 5 HD21 LEU 5 -15.086 -11.421 18.552 45 HD22 LEU 5 HD22 LEU 5 -16.251 -10.103 18.683 46 HD23 LEU 5 HD23 LEU 5 -14.542 -9.805 19.000 47 H GLN 6 HN GLN 6 -14.890 -5.788 15.671 48 HA GLN 6 HA GLN 6 -17.552 -4.784 15.225 49 HB2 GLN 6 HB2 GLN 6 -14.859 -3.392 15.303 50 HB3 GLN 6 HB1 GLN 6 -16.392 -2.530 15.189 51 HG2 GLN 6 HG2 GLN 6 -15.842 -4.524 17.393 52 HG3 GLN 6 HG1 GLN 6 -15.406 -2.822 17.544 53 HE21 GLN 6 HE21 GLN 6 -17.067 -1.383 18.152 54 HE22 GLN 6 HE22 GLN 6 -18.707 -1.810 18.252 55 H LEU 7 HN LEU 7 -14.702 -5.116 13.193 56 HA LEU 7 HA LEU 7 -15.612 -3.555 10.981 57 HB2 LEU 7 HB2 LEU 7 -13.278 -4.357 11.199 58 HB3 LEU 7 HB1 LEU 7 -13.835 -6.016 10.994 59 HG LEU 7 HG LEU 7 -14.686 -5.446 8.735 60 HD11 LEU 7 HD11 LEU 7 -13.686 -3.152 7.870 61 HD12 LEU 7 HD12 LEU 7 -13.768 -2.710 9.577 62 HD13 LEU 7 HD13 LEU 7 -15.231 -3.186 8.716 63 HD21 LEU 7 HD21 LEU 7 -12.432 -5.027 7.682 64 HD22 LEU 7 HD22 LEU 7 -12.458 -6.344 8.853 65 HD23 LEU 7 HD23 LEU 7 -11.786 -4.778 9.305 66 H LYS 8 HN LYS 8 -15.941 -7.011 11.716 67 HA LYS 8 HA LYS 8 -17.408 -7.685 9.335 68 HB2 LYS 8 HB2 LYS 8 -17.257 -8.986 12.064 69 HB3 LYS 8 HB1 LYS 8 -18.113 -9.703 10.702 70 HG2 LYS 8 HG2 LYS 8 -16.024 -9.700 9.387 71 HG3 LYS 8 HG1 LYS 8 -15.168 -8.975 10.749 72 HD2 LYS 8 HD2 LYS 8 -15.740 -10.949 12.141 73 HD3 LYS 8 HD1 LYS 8 -16.543 -11.680 10.752 74 HE2 LYS 8 HE2 LYS 8 -13.613 -10.901 10.866 75 HE3 LYS 8 HE1 LYS 8 -14.238 -12.543 11.015 76 HZ1 LYS 8 HZ1 LYS 8 -13.523 -12.083 8.759 77 HZ2 LYS 8 HZ2 LYS 8 -14.588 -10.763 8.663 78 HZ3 LYS 8 HZ3 LYS 8 -15.198 -12.342 8.807 79 H HIS 9 HN HIS 9 -18.415 -6.793 12.614 80 HA HIS 9 HA HIS 9 -21.239 -7.104 12.150 81 HB2 HIS 9 HB2 HIS 9 -19.716 -5.409 14.149 82 HB3 HIS 9 HB1 HIS 9 -21.460 -5.656 14.192 83 HD1 HIS 9 HD1 HIS 9 -21.828 -8.559 13.742 84 HD2 HIS 9 HD2 HIS 9 -18.667 -7.122 16.048 85 HE1 HIS 9 HE1 HIS 9 -21.100 -10.474 15.230 86 H TYR 10 HN TYR 10 -19.068 -4.294 11.969 87 HA TYR 10 HA TYR 10 -21.087 -2.357 11.363 88 HB2 TYR 10 HB2 TYR 10 -18.820 -1.692 12.027 89 HB3 TYR 10 HB1 TYR 10 -18.162 -2.434 10.571 90 HD1 TYR 10 HD2 TYR 10 -20.567 0.178 11.726 91 HD2 TYR 10 HD1 TYR 10 -18.023 -1.204 8.560 92 HE1 TYR 10 HE2 TYR 10 -20.997 2.268 10.466 93 HE2 TYR 10 HE1 TYR 10 -18.452 0.888 7.296 94 HH TYR 10 HH TYR 10 -20.583 3.424 8.626 95 H ILE 11 HN ILE 11 -18.941 -4.211 9.213 96 HA ILE 11 HA ILE 11 -20.066 -3.196 6.775 97 HB ILE 11 HB ILE 11 -18.575 -5.759 7.384 98 HG12 ILE 11 HG12 ILE 11 -17.327 -3.650 7.729 99 HG13 ILE 11 HG11 ILE 11 -16.675 -4.574 6.379 100 HG21 ILE 11 HG21 ILE 11 -19.728 -6.256 5.375 101 HG22 ILE 11 HG22 ILE 11 -18.152 -5.674 4.837 102 HG23 ILE 11 HG23 ILE 11 -19.554 -4.608 4.774 103 HD11 ILE 11 HD11 ILE 11 -16.787 -2.512 5.345 104 HD12 ILE 11 HD12 ILE 11 -18.098 -1.951 6.377 105 HD13 ILE 11 HD13 ILE 11 -18.448 -3.019 5.020 106 H THR 12 HN THR 12 -20.775 -6.120 8.652 107 HA THR 12 HA THR 12 -22.703 -7.156 6.799 108 HB THR 12 HB THR 12 -23.436 -8.561 8.734 109 HG1 THR 12 HG1 THR 12 -21.971 -6.609 10.048 110 HG21 THR 12 HG21 THR 12 -21.665 -9.648 7.714 111 HG22 THR 12 HG22 THR 12 -20.931 -9.329 9.285 112 HG23 THR 12 HG23 THR 12 -20.567 -8.280 7.918 113 H ASN 13 HN ASN 13 -22.926 -4.878 9.451 114 HA ASN 13 HA ASN 13 -25.777 -4.884 9.743 115 HB2 ASN 13 HB2 ASN 13 -24.250 -3.851 11.385 116 HB3 ASN 13 HB1 ASN 13 -23.783 -2.646 10.187 117 HD21 ASN 13 HD21 ASN 13 -24.664 -1.003 11.771 118 HD22 ASN 13 HD22 ASN 13 -26.339 -0.732 11.816 119 H LEU 14 HN LEU 14 -23.634 -2.774 7.844 120 HA LEU 14 HA LEU 14 -25.744 -1.226 6.656 121 HB2 LEU 14 HB2 LEU 14 -22.843 -1.683 6.081 122 HB3 LEU 14 HB1 LEU 14 -23.817 -0.853 4.868 123 HG LEU 14 HG LEU 14 -22.680 0.673 6.528 124 HD11 LEU 14 HD11 LEU 14 -25.609 1.064 7.011 125 HD12 LEU 14 HD12 LEU 14 -25.087 0.993 5.325 126 HD13 LEU 14 HD13 LEU 14 -24.401 2.201 6.411 127 HD21 LEU 14 HD21 LEU 14 -23.297 0.703 8.811 128 HD22 LEU 14 HD22 LEU 14 -23.162 -1.021 8.452 129 HD23 LEU 14 HD23 LEU 14 -24.751 -0.255 8.523 130 H PHE 15 HN PHE 15 -24.028 -4.123 5.507 131 HA PHE 15 HA PHE 15 -25.763 -4.161 3.092 132 HB2 PHE 15 HB2 PHE 15 -23.361 -5.791 3.953 133 HB3 PHE 15 HB1 PHE 15 -24.305 -6.169 2.512 134 HD1 PHE 15 HD1 PHE 15 -24.562 -4.423 0.708 135 HD2 PHE 15 HD2 PHE 15 -21.767 -4.009 3.944 136 HE1 PHE 15 HE1 PHE 15 -23.331 -2.697 -0.579 137 HE2 PHE 15 HE2 PHE 15 -20.536 -2.282 2.656 138 HZ PHE 15 HZ PHE 15 -21.318 -1.625 0.396 139 H ASN 16 HN ASN 16 -25.966 -5.188 6.224 140 HA ASN 16 HA ASN 16 -27.283 -6.775 7.332 141 HB2 ASN 16 HB2 ASN 16 -28.810 -6.873 4.711 142 HB3 ASN 16 HB1 ASN 16 -29.417 -7.298 6.314 143 HD21 ASN 16 HD21 ASN 16 -28.234 -5.095 7.788 144 HD22 ASN 16 HD22 ASN 16 -29.003 -3.669 7.285 145 H LEU 17 HN LEU 17 -24.938 -7.757 6.081 146 HA LEU 17 HA LEU 17 -25.605 -10.256 4.717 147 HB2 LEU 17 HB2 LEU 17 -22.988 -9.244 5.861 148 HB3 LEU 17 HB1 LEU 17 -23.144 -10.652 4.814 149 HG LEU 17 HG LEU 17 -24.231 -7.987 3.919 150 HD11 LEU 17 HD11 LEU 17 -21.898 -7.565 4.611 151 HD12 LEU 17 HD12 LEU 17 -22.064 -7.487 2.857 152 HD13 LEU 17 HD13 LEU 17 -21.360 -8.915 3.614 153 HD21 LEU 17 HD21 LEU 17 -23.683 -8.946 1.687 154 HD22 LEU 17 HD22 LEU 17 -24.771 -9.994 2.596 155 HD23 LEU 17 HD23 LEU 17 -23.058 -10.392 2.479 156 HA PRO 18 HA PRO 18 -26.120 -12.729 8.346 157 HB2 PRO 18 HB2 PRO 18 -25.100 -15.155 7.458 158 HB3 PRO 18 HB1 PRO 18 -26.709 -14.533 7.043 159 HG2 PRO 18 HG2 PRO 18 -24.191 -14.468 5.445 160 HG3 PRO 18 HG1 PRO 18 -25.857 -14.758 4.912 161 HD2 PRO 18 HD2 PRO 18 -24.624 -12.365 4.561 162 HD3 PRO 18 HD1 PRO 18 -26.373 -12.492 4.840 163 H ARG 19 HN ARG 19 -24.965 -12.905 10.184 164 HA ARG 19 HA ARG 19 -22.021 -12.629 10.081 165 HB2 ARG 19 HB2 ARG 19 -24.033 -12.560 12.344 166 HB3 ARG 19 HB1 ARG 19 -22.296 -12.388 12.583 167 HG2 ARG 19 HG2 ARG 19 -22.281 -10.409 11.118 168 HG3 ARG 19 HG1 ARG 19 -24.015 -10.589 10.849 169 HD2 ARG 19 HD2 ARG 19 -24.430 -10.282 13.260 170 HD3 ARG 19 HD1 ARG 19 -22.697 -10.111 13.540 171 HE ARG 19 HE ARG 19 -23.478 -8.186 11.590 172 HH11 ARG 19 HH21 ARG 19 -23.873 -8.973 14.933 173 HH12 ARG 19 HH22 ARG 19 -24.145 -7.331 15.415 174 HH21 ARG 19 HH11 ARG 19 -23.836 -6.050 12.213 175 HH22 ARG 19 HH12 ARG 19 -24.125 -5.684 13.881 176 H ASP 20 HN ASP 20 -24.354 -15.106 10.422 177 HA ASP 20 HA ASP 20 -22.643 -16.867 12.050 178 HB2 ASP 20 HB2 ASP 20 -24.460 -18.545 11.630 179 HB3 ASP 20 HB1 ASP 20 -25.061 -17.044 12.332 180 H GLU 21 HN GLU 21 -22.487 -15.859 8.940 181 HA GLU 21 HA GLU 21 -21.722 -18.516 7.813 182 HB2 GLU 21 HB2 GLU 21 -23.248 -17.089 6.480 183 HB3 GLU 21 HB1 GLU 21 -22.007 -15.836 6.428 184 HG2 GLU 21 HG2 GLU 21 -20.478 -17.349 5.268 185 HG3 GLU 21 HG1 GLU 21 -21.643 -18.665 5.396 186 H LYS 22 HN LYS 22 -19.651 -19.069 7.945 187 HA LYS 22 HA LYS 22 -17.564 -17.131 8.599 188 HB2 LYS 22 HB2 LYS 22 -17.560 -19.431 9.523 189 HB3 LYS 22 HB1 LYS 22 -17.330 -20.068 7.895 190 HG2 LYS 22 HG2 LYS 22 -15.205 -18.880 7.689 191 HG3 LYS 22 HG1 LYS 22 -15.445 -18.130 9.268 192 HD2 LYS 22 HD2 LYS 22 -15.438 -20.377 10.319 193 HD3 LYS 22 HD1 LYS 22 -15.146 -21.100 8.736 194 HE2 LYS 22 HE2 LYS 22 -13.327 -19.096 10.104 195 HE3 LYS 22 HE1 LYS 22 -13.038 -20.832 10.008 196 HZ1 LYS 22 HZ1 LYS 22 -13.216 -18.933 7.733 197 HZ2 LYS 22 HZ2 LYS 22 -13.092 -20.620 7.567 198 HZ3 LYS 22 HZ3 LYS 22 -11.826 -19.736 8.278 199 H TRP 23 HN TRP 23 -15.998 -16.352 7.266 200 HA TRP 23 HA TRP 23 -16.350 -16.829 4.340 201 HB2 TRP 23 HB2 TRP 23 -14.740 -14.644 5.668 202 HB3 TRP 23 HB1 TRP 23 -15.325 -14.692 4.006 203 HD1 TRP 23 HD1 TRP 23 -18.290 -15.828 5.091 204 HE1 TRP 23 HE1 TRP 23 -19.928 -14.047 5.973 205 HE3 TRP 23 HE3 TRP 23 -15.024 -12.018 6.049 206 HZ2 TRP 23 HZ2 TRP 23 -19.866 -11.361 6.958 207 HZ3 TRP 23 HZ3 TRP 23 -15.840 -9.862 6.959 208 HH2 TRP 23 HH2 TRP 23 -18.254 -9.530 7.414 209 H GLU 24 HN GLU 24 -14.375 -16.890 3.021 210 HA GLU 24 HA GLU 24 -12.166 -18.349 4.438 211 HB2 GLU 24 HB2 GLU 24 -13.418 -19.572 2.635 212 HB3 GLU 24 HB1 GLU 24 -12.867 -18.349 1.491 213 HG2 GLU 24 HG2 GLU 24 -10.558 -18.919 1.888 214 HG3 GLU 24 HG1 GLU 24 -11.000 -20.001 3.207 215 H CYS 25 HN CYS 25 -10.448 -17.094 4.768 216 HA CYS 25 HA CYS 25 -9.950 -14.760 2.988 217 HB2 CYS 25 HB2 CYS 25 -10.001 -14.118 5.272 218 HB3 CYS 25 HB1 CYS 25 -8.994 -15.482 5.753 219 HG CYS 25 HG CYS 25 -7.781 -13.291 3.893 220 H GLU 26 HN GLU 26 -8.103 -14.495 1.871 221 HA GLU 26 HA GLU 26 -6.266 -16.853 1.701 222 HB2 GLU 26 HB2 GLU 26 -5.706 -15.922 -0.563 223 HB3 GLU 26 HB1 GLU 26 -7.396 -16.394 -0.400 224 HG2 GLU 26 HG2 GLU 26 -7.959 -14.016 0.128 225 HG3 GLU 26 HG1 GLU 26 -6.284 -13.582 -0.211 226 H SER 27 HN SER 27 -4.216 -16.563 2.334 227 HA SER 27 HA SER 27 -3.355 -13.836 3.158 228 HB2 SER 27 HB2 SER 27 -3.122 -15.456 4.899 229 HB3 SER 27 HB1 SER 27 -2.361 -16.614 3.812 230 HG SER 27 HG SER 27 -1.194 -14.799 5.312 231 H ILE 28 HN ILE 28 -2.058 -12.736 1.870 232 HA ILE 28 HA ILE 28 0.036 -14.140 0.298 233 HB ILE 28 HB ILE 28 -0.500 -12.776 -1.704 234 HG12 ILE 28 HG12 ILE 28 -3.022 -12.056 -0.168 235 HG13 ILE 28 HG11 ILE 28 -1.691 -10.946 -0.493 236 HG21 ILE 28 HG21 ILE 28 -1.406 -15.119 -1.262 237 HG22 ILE 28 HG22 ILE 28 -2.292 -14.160 -2.449 238 HG23 ILE 28 HG23 ILE 28 -2.927 -14.342 -0.813 239 HD11 ILE 28 HD11 ILE 28 -3.438 -12.324 -2.551 240 HD12 ILE 28 HD12 ILE 28 -2.015 -11.358 -2.942 241 HD13 ILE 28 HD13 ILE 28 -3.410 -10.601 -2.174 242 H GLU 29 HN GLU 29 1.827 -12.814 -0.166 243 HA GLU 29 HA GLU 29 2.043 -10.414 1.588 244 HB2 GLU 29 HB2 GLU 29 3.709 -12.286 1.796 245 HB3 GLU 29 HB1 GLU 29 4.232 -11.939 0.148 246 HG2 GLU 29 HG2 GLU 29 4.852 -9.670 0.779 247 HG3 GLU 29 HG1 GLU 29 4.230 -9.922 2.409 248 H GLU 30 HN GLU 30 1.872 -8.464 0.645 249 HA GLU 30 HA GLU 30 2.887 -8.093 -2.143 250 HB2 GLU 30 HB2 GLU 30 0.169 -7.227 -1.120 251 HB3 GLU 30 HB1 GLU 30 0.864 -6.715 -2.655 252 HG2 GLU 30 HG2 GLU 30 0.343 -9.599 -1.868 253 HG3 GLU 30 HG1 GLU 30 -0.698 -8.638 -2.915 254 H VAL 31 HN VAL 31 3.280 -5.835 -2.652 255 HA VAL 31 HA VAL 31 4.384 -4.386 -0.374 256 HB VAL 31 HB VAL 31 4.188 -3.474 -3.246 257 HG11 VAL 31 HG11 VAL 31 6.163 -2.777 -1.052 258 HG12 VAL 31 HG12 VAL 31 4.774 -1.780 -1.477 259 HG13 VAL 31 HG13 VAL 31 6.061 -2.045 -2.653 260 HG21 VAL 31 HG21 VAL 31 5.293 -5.650 -3.180 261 HG22 VAL 31 HG22 VAL 31 6.300 -5.132 -1.829 262 HG23 VAL 31 HG23 VAL 31 6.514 -4.400 -3.419 263 H ALA 32 HN ALA 32 3.549 -2.643 0.628 264 HA ALA 32 HA ALA 32 0.788 -2.062 0.556 265 HB1 ALA 32 HB1 ALA 32 1.334 -0.127 1.933 266 HB2 ALA 32 HB2 ALA 32 3.011 -0.182 1.389 267 HB3 ALA 32 HB3 ALA 32 2.377 -1.471 2.406 268 H ASP 33 HN ASP 33 3.455 -0.613 -1.252 269 HA ASP 33 HA ASP 33 1.891 1.581 -2.320 270 HB2 ASP 33 HB2 ASP 33 3.794 1.989 -3.759 271 HB3 ASP 33 HB1 ASP 33 4.419 1.515 -2.180 272 H ASP 34 HN ASP 34 1.741 -1.702 -2.883 273 HA ASP 34 HA ASP 34 0.878 -1.390 -5.735 274 HB2 ASP 34 HB2 ASP 34 2.614 -3.130 -5.080 275 HB3 ASP 34 HB1 ASP 34 1.337 -3.948 -4.184 276 H ILE 35 HN ILE 35 -0.519 -1.080 -2.839 277 HA ILE 35 HA ILE 35 -3.132 -2.099 -3.829 278 HB ILE 35 HB ILE 35 -3.613 -3.097 -1.581 279 HG12 ILE 35 HG12 ILE 35 -0.623 -2.758 -1.167 280 HG13 ILE 35 HG11 ILE 35 -1.850 -1.786 -0.358 281 HG21 ILE 35 HG21 ILE 35 -2.401 -5.144 -2.000 282 HG22 ILE 35 HG22 ILE 35 -1.167 -4.278 -2.915 283 HG23 ILE 35 HG23 ILE 35 -2.803 -4.420 -3.558 284 HD11 ILE 35 HD11 ILE 35 -1.347 -3.504 1.193 285 HD12 ILE 35 HD12 ILE 35 -1.326 -4.742 -0.063 286 HD13 ILE 35 HD13 ILE 35 -2.855 -4.017 0.436 287 H LEU 36 HN LEU 36 -1.270 -0.107 -1.605 288 HA LEU 36 HA LEU 36 -3.735 1.361 -0.838 289 HB2 LEU 36 HB2 LEU 36 -0.943 1.252 0.259 290 HB3 LEU 36 HB1 LEU 36 -2.025 2.581 0.689 291 HG LEU 36 HG LEU 36 -3.051 -0.246 0.909 292 HD11 LEU 36 HD11 LEU 36 -2.247 -0.146 3.339 293 HD12 LEU 36 HD12 LEU 36 -1.140 1.118 2.804 294 HD13 LEU 36 HD13 LEU 36 -1.030 -0.500 2.113 295 HD21 LEU 36 HD21 LEU 36 -3.518 2.300 2.503 296 HD22 LEU 36 HD22 LEU 36 -4.356 0.770 2.756 297 HD23 LEU 36 HD23 LEU 36 -4.590 1.665 1.257 298 HA PRO 37 HA PRO 37 -2.871 4.432 -4.045 299 HB2 PRO 37 HB2 PRO 37 -4.224 6.214 -2.039 300 HB3 PRO 37 HB1 PRO 37 -4.532 6.042 -3.779 301 HG2 PRO 37 HG2 PRO 37 -6.155 4.944 -1.972 302 HG3 PRO 37 HG1 PRO 37 -5.792 4.135 -3.505 303 HD2 PRO 37 HD2 PRO 37 -4.828 3.472 -0.759 304 HD3 PRO 37 HD1 PRO 37 -5.089 2.419 -2.166 305 H ASP 38 HN ASP 38 -1.357 6.074 -4.344 306 HA ASP 38 HA ASP 38 0.818 6.304 -2.559 307 HB2 ASP 38 HB2 ASP 38 1.480 8.281 -3.916 308 HB3 ASP 38 HB1 ASP 38 0.995 6.922 -4.928 309 H GLN 39 HN GLN 39 -2.274 7.496 -2.204 310 HA GLN 39 HA GLN 39 -1.823 10.039 -0.960 311 HB2 GLN 39 HB2 GLN 39 -4.062 9.239 -1.703 312 HB3 GLN 39 HB1 GLN 39 -4.023 8.019 -0.431 313 HG2 GLN 39 HG2 GLN 39 -3.952 9.731 1.289 314 HG3 GLN 39 HG1 GLN 39 -3.814 10.999 0.074 315 HE21 GLN 39 HE21 GLN 39 -5.970 11.012 1.937 316 HE22 GLN 39 HE22 GLN 39 -7.413 10.703 1.098 317 H TYR 40 HN TYR 40 -1.889 6.727 0.289 318 HA TYR 40 HA TYR 40 -0.763 7.753 2.879 319 HB2 TYR 40 HB2 TYR 40 -3.049 7.008 3.251 320 HB3 TYR 40 HB1 TYR 40 -2.718 5.480 2.437 321 HD1 TYR 40 HD1 TYR 40 -1.417 7.601 5.242 322 HD2 TYR 40 HD2 TYR 40 -2.074 3.635 3.733 323 HE1 TYR 40 HE1 TYR 40 -0.604 6.651 7.383 324 HE2 TYR 40 HE2 TYR 40 -1.264 2.685 5.874 325 HH TYR 40 HH TYR 40 -0.056 3.211 7.773 326 H VAL 41 HN VAL 41 1.153 7.246 1.224 327 HA VAL 41 HA VAL 41 2.262 4.647 2.120 328 HB VAL 41 HB VAL 41 2.086 5.446 -0.802 329 HG11 VAL 41 HG11 VAL 41 4.241 4.492 -0.486 330 HG12 VAL 41 HG12 VAL 41 3.236 3.166 -1.070 331 HG13 VAL 41 HG13 VAL 41 3.626 3.287 0.645 332 HG21 VAL 41 HG21 VAL 41 0.919 3.226 -0.974 333 HG22 VAL 41 HG22 VAL 41 0.032 4.406 -0.012 334 HG23 VAL 41 HG23 VAL 41 0.944 3.128 0.787 335 H ARG 42 HN ARG 42 2.736 7.699 0.376 336 HA ARG 42 HA ARG 42 5.654 7.628 0.630 337 HB2 ARG 42 HB2 ARG 42 3.769 9.893 -0.096 338 HB3 ARG 42 HB1 ARG 42 5.525 9.940 -0.268 339 HG2 ARG 42 HG2 ARG 42 5.445 8.058 -1.841 340 HG3 ARG 42 HG1 ARG 42 3.696 7.941 -1.633 341 HD2 ARG 42 HD2 ARG 42 4.182 9.179 -3.681 342 HD3 ARG 42 HD1 ARG 42 3.465 10.266 -2.494 343 HE ARG 42 HE ARG 42 5.552 11.399 -2.325 344 HH11 ARG 42 HH21 ARG 42 5.813 8.443 -4.101 345 HH12 ARG 42 HH22 ARG 42 7.379 8.821 -4.733 346 HH21 ARG 42 HH11 ARG 42 7.575 11.894 -3.147 347 HH22 ARG 42 HH12 ARG 42 8.375 10.773 -4.195 348 H LEU 43 HN LEU 43 3.099 8.377 2.690 349 HA LEU 43 HA LEU 43 4.089 10.579 4.188 350 HB2 LEU 43 HB2 LEU 43 2.298 8.247 4.828 351 HB3 LEU 43 HB1 LEU 43 2.746 9.385 6.099 352 HG LEU 43 HG LEU 43 0.590 9.946 4.950 353 HD11 LEU 43 HD11 LEU 43 0.948 12.207 5.182 354 HD12 LEU 43 HD12 LEU 43 2.412 12.196 4.198 355 HD13 LEU 43 HD13 LEU 43 2.474 11.665 5.880 356 HD21 LEU 43 HD21 LEU 43 0.568 10.647 2.662 357 HD22 LEU 43 HD22 LEU 43 1.462 9.126 2.688 358 HD23 LEU 43 HD23 LEU 43 2.328 10.658 2.576 359 H GLY 44 HN GLY 44 3.827 7.831 6.172 360 HA2 GLY 44 HA2 GLY 44 6.533 8.236 7.202 361 HA3 GLY 44 HA1 GLY 44 5.332 7.111 7.831 362 HA PRO 45 HA PRO 45 8.752 4.661 5.808 363 HB2 PRO 45 HB2 PRO 45 7.824 2.775 7.937 364 HB3 PRO 45 HB1 PRO 45 9.478 3.246 7.494 365 HG2 PRO 45 HG2 PRO 45 8.309 4.164 9.721 366 HG3 PRO 45 HG1 PRO 45 9.416 5.167 8.768 367 HD2 PRO 45 HD2 PRO 45 6.427 5.291 8.926 368 HD3 PRO 45 HD1 PRO 45 7.599 6.610 8.718 369 H LEU 46 HN LEU 46 5.416 4.483 6.193 370 HA LEU 46 HA LEU 46 4.708 1.899 5.298 371 HB2 LEU 46 HB2 LEU 46 3.481 4.632 4.976 372 HB3 LEU 46 HB1 LEU 46 2.750 3.255 4.152 373 HG LEU 46 HG LEU 46 1.777 3.756 6.426 374 HD11 LEU 46 HD11 LEU 46 1.382 1.531 6.886 375 HD12 LEU 46 HD12 LEU 46 3.061 1.050 6.647 376 HD13 LEU 46 HD13 LEU 46 2.024 1.372 5.252 377 HD21 LEU 46 HD21 LEU 46 4.386 2.650 7.495 378 HD22 LEU 46 HD22 LEU 46 3.048 3.346 8.412 379 HD23 LEU 46 HD23 LEU 46 4.057 4.382 7.398 380 H SER 47 HN SER 47 6.584 4.210 3.791 381 HA SER 47 HA SER 47 5.857 3.796 1.045 382 HB2 SER 47 HB2 SER 47 8.561 4.649 2.053 383 HB3 SER 47 HB1 SER 47 7.796 5.070 0.525 384 HG SER 47 HG SER 47 6.347 5.693 2.793 385 H ASN 48 HN ASN 48 6.250 2.111 -0.198 386 HA ASN 48 HA ASN 48 7.098 0.097 -0.981 387 HB2 ASN 48 HB2 ASN 48 9.029 1.625 -1.381 388 HB3 ASN 48 HB1 ASN 48 9.698 1.139 0.176 389 HD21 ASN 48 HD21 ASN 48 7.981 -1.393 -1.445 390 HD22 ASN 48 HD22 ASN 48 9.335 -2.215 -2.046 391 H LYS 49 HN LYS 49 5.955 0.008 1.662 392 HA LYS 49 HA LYS 49 7.725 -1.873 3.137 393 HB2 LYS 49 HB2 LYS 49 5.298 -0.272 3.818 394 HB3 LYS 49 HB1 LYS 49 5.526 -1.781 4.697 395 HG2 LYS 49 HG2 LYS 49 7.807 0.177 4.423 396 HG3 LYS 49 HG1 LYS 49 6.573 0.415 5.661 397 HD2 LYS 49 HD2 LYS 49 7.004 -1.864 6.531 398 HD3 LYS 49 HD1 LYS 49 8.259 -2.092 5.315 399 HE2 LYS 49 HE2 LYS 49 9.467 -0.129 6.246 400 HE3 LYS 49 HE1 LYS 49 8.241 -0.011 7.510 401 HZ1 LYS 49 HZ1 LYS 49 10.140 -1.253 8.292 402 HZ2 LYS 49 HZ2 LYS 49 10.004 -2.345 6.997 403 HZ3 LYS 49 HZ3 LYS 49 8.791 -2.275 8.184 404 H ILE 50 HN ILE 50 7.278 -4.003 3.400 405 HA ILE 50 HA ILE 50 5.253 -5.161 1.571 406 HB ILE 50 HB ILE 50 7.442 -6.505 3.171 407 HG12 ILE 50 HG12 ILE 50 8.234 -6.715 0.570 408 HG13 ILE 50 HG11 ILE 50 7.378 -5.177 0.476 409 HG21 ILE 50 HG21 ILE 50 5.783 -8.127 2.680 410 HG22 ILE 50 HG22 ILE 50 6.979 -8.312 1.399 411 HG23 ILE 50 HG23 ILE 50 5.475 -7.448 1.080 412 HD11 ILE 50 HD11 ILE 50 9.806 -5.895 2.099 413 HD12 ILE 50 HD12 ILE 50 8.772 -4.556 2.599 414 HD13 ILE 50 HD13 ILE 50 9.558 -4.523 1.021 415 H LEU 51 HN LEU 51 3.300 -5.287 2.489 416 HA LEU 51 HA LEU 51 3.100 -6.219 5.335 417 HB2 LEU 51 HB2 LEU 51 1.077 -4.637 3.737 418 HB3 LEU 51 HB1 LEU 51 0.998 -5.021 5.456 419 HG LEU 51 HG LEU 51 3.135 -3.326 4.120 420 HD11 LEU 51 HD11 LEU 51 1.029 -2.126 4.254 421 HD12 LEU 51 HD12 LEU 51 2.101 -1.510 5.512 422 HD13 LEU 51 HD13 LEU 51 0.805 -2.628 5.930 423 HD21 LEU 51 HD21 LEU 51 2.754 -4.371 6.923 424 HD22 LEU 51 HD22 LEU 51 3.584 -2.838 6.665 425 HD23 LEU 51 HD23 LEU 51 4.225 -4.317 5.954 426 H GLN 52 HN GLN 52 1.551 -7.762 5.860 427 HA GLN 52 HA GLN 52 1.009 -9.704 3.744 428 HB2 GLN 52 HB2 GLN 52 1.610 -10.386 6.060 429 HB3 GLN 52 HB1 GLN 52 0.103 -9.678 6.638 430 HG2 GLN 52 HG2 GLN 52 -1.206 -11.221 5.309 431 HG3 GLN 52 HG1 GLN 52 0.246 -11.846 4.529 432 HE21 GLN 52 HE21 GLN 52 -1.522 -13.578 5.969 433 HE22 GLN 52 HE22 GLN 52 -0.713 -14.142 7.348 434 H THR 53 HN THR 53 -0.551 -9.125 2.343 435 HA THR 53 HA THR 53 -2.924 -7.628 3.168 436 HB THR 53 HB THR 53 -2.039 -8.871 0.558 437 HG1 THR 53 HG1 THR 53 -1.004 -6.950 1.379 438 HG21 THR 53 HG21 THR 53 -4.416 -8.932 0.455 439 HG22 THR 53 HG22 THR 53 -3.946 -7.457 -0.388 440 HG23 THR 53 HG23 THR 53 -4.564 -7.371 1.262 441 H ASN 54 HN ASN 54 -4.789 -8.522 3.842 442 HA ASN 54 HA ASN 54 -5.239 -11.456 3.368 443 HB2 ASN 54 HB2 ASN 54 -6.164 -9.687 5.651 444 HB3 ASN 54 HB1 ASN 54 -6.643 -11.368 5.427 445 HD21 ASN 54 HD21 ASN 54 -5.525 -12.300 7.207 446 HD22 ASN 54 HD22 ASN 54 -3.836 -12.265 7.367 447 H THR 55 HN THR 55 -6.625 -11.627 1.728 448 HA THR 55 HA THR 55 -8.839 -9.637 1.438 449 HB THR 55 HB THR 55 -7.759 -11.761 -0.435 450 HG1 THR 55 HG1 THR 55 -6.675 -9.641 0.019 451 HG21 THR 55 HG21 THR 55 -10.113 -9.880 -0.647 452 HG22 THR 55 HG22 THR 55 -10.076 -11.621 -0.924 453 HG23 THR 55 HG23 THR 55 -9.310 -10.529 -2.077 454 H TYR 56 HN TYR 56 -10.889 -10.207 1.942 455 HA TYR 56 HA TYR 56 -11.416 -13.054 2.697 456 HB2 TYR 56 HB2 TYR 56 -12.821 -10.478 3.406 457 HB3 TYR 56 HB1 TYR 56 -13.419 -12.077 3.854 458 HD1 TYR 56 HD1 TYR 56 -10.315 -9.976 4.035 459 HD2 TYR 56 HD2 TYR 56 -12.691 -13.054 5.862 460 HE1 TYR 56 HE1 TYR 56 -8.781 -10.003 5.982 461 HE2 TYR 56 HE2 TYR 56 -11.157 -13.080 7.810 462 HH TYR 56 HH TYR 56 -8.966 -10.665 8.454 463 H TYR 57 HN TYR 57 -12.803 -14.244 1.538 464 HA TYR 57 HA TYR 57 -14.739 -12.892 -0.277 465 HB2 TYR 57 HB2 TYR 57 -14.111 -14.308 -2.157 466 HB3 TYR 57 HB1 TYR 57 -12.696 -13.410 -1.611 467 HD1 TYR 57 HD1 TYR 57 -10.875 -14.544 -0.370 468 HD2 TYR 57 HD2 TYR 57 -14.289 -16.707 -1.838 469 HE1 TYR 57 HE1 TYR 57 -9.674 -16.681 -0.026 470 HE2 TYR 57 HE2 TYR 57 -13.078 -18.844 -1.493 471 HH TYR 57 HH TYR 57 -9.816 -19.058 -1.068 472 H SER 58 HN SER 58 -16.672 -13.829 -0.105 473 HA SER 58 HA SER 58 -16.875 -16.698 0.698 474 HB2 SER 58 HB2 SER 58 -17.166 -15.372 2.742 475 HB3 SER 58 HB1 SER 58 -18.414 -14.413 1.958 476 HG SER 58 HG SER 58 -19.769 -15.948 2.391 477 H ASP 59 HN ASP 59 -19.396 -17.225 0.616 478 HA ASP 59 HA ASP 59 -20.201 -17.025 -2.119 479 HB2 ASP 59 HB2 ASP 59 -20.991 -18.835 -0.667 480 HB3 ASP 59 HB1 ASP 59 -21.795 -17.668 0.380 481 H THR 60 HN THR 60 -21.563 -15.472 0.776 482 HA THR 60 HA THR 60 -23.420 -13.808 -0.629 483 HB THR 60 HB THR 60 -23.450 -12.515 1.543 484 HG1 THR 60 HG1 THR 60 -21.765 -14.498 2.570 485 HG21 THR 60 HG21 THR 60 -24.395 -14.358 2.836 486 HG22 THR 60 HG22 THR 60 -23.558 -15.531 1.821 487 HG23 THR 60 HG23 THR 60 -24.847 -14.540 1.141 488 H LEU 61 HN LEU 61 -20.119 -13.198 0.522 489 HA LEU 61 HA LEU 61 -20.044 -10.421 -0.206 490 HB2 LEU 61 HB2 LEU 61 -17.831 -12.470 0.069 491 HB3 LEU 61 HB1 LEU 61 -17.548 -10.739 -0.137 492 HG LEU 61 HG LEU 61 -19.196 -11.944 2.105 493 HD11 LEU 61 HD11 LEU 61 -16.724 -12.534 2.137 494 HD12 LEU 61 HD12 LEU 61 -17.310 -11.657 3.550 495 HD13 LEU 61 HD13 LEU 61 -16.398 -10.808 2.303 496 HD21 LEU 61 HD21 LEU 61 -18.386 -9.148 1.336 497 HD22 LEU 61 HD22 LEU 61 -18.540 -9.540 3.051 498 HD23 LEU 61 HD23 LEU 61 -19.922 -9.731 1.976 499 H HIS 62 HN HIS 62 -19.262 -13.372 -1.979 500 HA HIS 62 HA HIS 62 -18.058 -12.180 -4.256 501 HB2 HIS 62 HB2 HIS 62 -18.121 -14.631 -3.855 502 HB3 HIS 62 HB1 HIS 62 -19.858 -14.619 -4.168 503 HD1 HIS 62 HD1 HIS 62 -16.641 -13.596 -5.929 504 HD2 HIS 62 HD2 HIS 62 -20.481 -14.930 -6.850 505 HE1 HIS 62 HE1 HIS 62 -16.719 -13.863 -8.445 506 H LYS 63 HN LYS 63 -21.480 -12.960 -3.652 507 HA LYS 63 HA LYS 63 -22.435 -11.885 -6.145 508 HB2 LYS 63 HB2 LYS 63 -23.689 -12.625 -3.523 509 HB3 LYS 63 HB1 LYS 63 -24.647 -11.697 -4.670 510 HG2 LYS 63 HG2 LYS 63 -25.124 -13.998 -5.110 511 HG3 LYS 63 HG1 LYS 63 -24.036 -13.487 -6.403 512 HD2 LYS 63 HD2 LYS 63 -22.126 -14.437 -5.142 513 HD3 LYS 63 HD1 LYS 63 -23.238 -14.967 -3.879 514 HE2 LYS 63 HE2 LYS 63 -24.437 -16.362 -5.519 515 HE3 LYS 63 HE1 LYS 63 -23.324 -15.831 -6.782 516 HZ1 LYS 63 HZ1 LYS 63 -22.886 -18.033 -5.510 517 HZ2 LYS 63 HZ2 LYS 63 -22.247 -17.009 -4.314 518 HZ3 LYS 63 HZ3 LYS 63 -21.591 -17.003 -5.881 519 H SER 64 HN SER 64 -22.015 -10.444 -2.938 520 HA SER 64 HA SER 64 -23.237 -7.923 -3.681 521 HB2 SER 64 HB2 SER 64 -21.206 -8.357 -1.481 522 HB3 SER 64 HB1 SER 64 -22.466 -7.128 -1.551 523 HG SER 64 HG SER 64 -23.030 -8.917 -0.212 524 H ASN 65 HN ASN 65 -20.347 -9.413 -4.486 525 HA ASN 65 HA ASN 65 -18.431 -8.693 -5.606 526 HB2 ASN 65 HB2 ASN 65 -20.021 -6.161 -6.123 527 HB3 ASN 65 HB1 ASN 65 -18.639 -6.754 -7.042 528 HD21 ASN 65 HD21 ASN 65 -19.437 -9.583 -7.015 529 HD22 ASN 65 HD22 ASN 65 -20.793 -9.716 -8.025 530 H ILE 66 HN ILE 66 -18.639 -8.218 -2.781 531 HA ILE 66 HA ILE 66 -16.856 -5.813 -2.514 532 HB ILE 66 HB ILE 66 -18.853 -6.922 -0.524 533 HG12 ILE 66 HG12 ILE 66 -18.670 -4.186 -1.813 534 HG13 ILE 66 HG11 ILE 66 -19.696 -5.478 -2.429 535 HG21 ILE 66 HG21 ILE 66 -16.978 -6.231 0.759 536 HG22 ILE 66 HG22 ILE 66 -18.061 -4.839 0.780 537 HG23 ILE 66 HG23 ILE 66 -16.660 -4.853 -0.293 538 HD11 ILE 66 HD11 ILE 66 -20.876 -5.576 -0.272 539 HD12 ILE 66 HD12 ILE 66 -20.962 -3.953 -0.957 540 HD13 ILE 66 HD13 ILE 66 -19.838 -4.298 0.358 541 H TYR 67 HN TYR 67 -14.884 -6.243 -1.718 542 HA TYR 67 HA TYR 67 -14.391 -8.901 -0.406 543 HB2 TYR 67 HB2 TYR 67 -12.451 -7.351 -2.135 544 HB3 TYR 67 HB1 TYR 67 -12.222 -8.962 -1.454 545 HD1 TYR 67 HD1 TYR 67 -13.513 -10.896 -2.292 546 HD2 TYR 67 HD2 TYR 67 -13.876 -7.000 -4.064 547 HE1 TYR 67 HE1 TYR 67 -14.605 -11.902 -4.279 548 HE2 TYR 67 HE2 TYR 67 -14.968 -8.005 -6.050 549 HH TYR 67 HH TYR 67 -15.807 -9.862 -6.943 550 HA PRO 68 HA PRO 68 -13.349 -5.776 2.823 551 HB2 PRO 68 HB2 PRO 68 -12.866 -8.333 4.304 552 HB3 PRO 68 HB1 PRO 68 -13.767 -6.887 4.814 553 HG2 PRO 68 HG2 PRO 68 -15.037 -9.103 4.054 554 HG3 PRO 68 HG1 PRO 68 -15.665 -7.495 3.655 555 HD2 PRO 68 HD2 PRO 68 -14.289 -9.472 1.873 556 HD3 PRO 68 HD1 PRO 68 -15.571 -8.309 1.487 557 H PHE 69 HN PHE 69 -11.316 -5.012 3.388 558 HA PHE 69 HA PHE 69 -8.961 -6.771 2.762 559 HB2 PHE 69 HB2 PHE 69 -9.759 -4.321 1.538 560 HB3 PHE 69 HB1 PHE 69 -8.329 -3.946 2.498 561 HD1 PHE 69 HD1 PHE 69 -9.595 -6.644 0.217 562 HD2 PHE 69 HD2 PHE 69 -6.257 -4.250 1.468 563 HE1 PHE 69 HE1 PHE 69 -8.180 -7.716 -1.512 564 HE2 PHE 69 HE2 PHE 69 -4.844 -5.313 -0.261 565 HZ PHE 69 HZ PHE 69 -5.803 -7.049 -1.753 566 H ILE 70 HN ILE 70 -7.660 -7.099 4.438 567 HA ILE 70 HA ILE 70 -7.430 -4.978 6.544 568 HB ILE 70 HB ILE 70 -7.656 -7.951 7.084 569 HG12 ILE 70 HG12 ILE 70 -9.592 -5.696 7.712 570 HG13 ILE 70 HG11 ILE 70 -9.814 -6.866 6.413 571 HG21 ILE 70 HG21 ILE 70 -7.725 -7.153 9.461 572 HG22 ILE 70 HG22 ILE 70 -7.397 -5.517 8.888 573 HG23 ILE 70 HG23 ILE 70 -6.195 -6.790 8.667 574 HD11 ILE 70 HD11 ILE 70 -9.421 -8.583 8.471 575 HD12 ILE 70 HD12 ILE 70 -11.015 -7.961 8.042 576 HD13 ILE 70 HD13 ILE 70 -10.109 -7.220 9.359 577 H LEU 71 HN LEU 71 -5.333 -4.508 6.900 578 HA LEU 71 HA LEU 71 -3.249 -6.348 5.781 579 HB2 LEU 71 HB2 LEU 71 -2.985 -3.461 6.650 580 HB3 LEU 71 HB1 LEU 71 -1.800 -4.400 5.743 581 HG LEU 71 HG LEU 71 -4.581 -3.635 4.805 582 HD11 LEU 71 HD11 LEU 71 -1.898 -2.829 3.664 583 HD12 LEU 71 HD12 LEU 71 -2.760 -1.854 4.855 584 HD13 LEU 71 HD13 LEU 71 -3.483 -2.162 3.275 585 HD21 LEU 71 HD21 LEU 71 -3.560 -4.583 2.591 586 HD22 LEU 71 HD22 LEU 71 -4.180 -5.718 3.786 587 HD23 LEU 71 HD23 LEU 71 -2.444 -5.430 3.663 588 H TYR 72 HN TYR 72 -1.682 -7.185 7.042 589 HA TYR 72 HA TYR 72 -1.743 -6.558 9.970 590 HB2 TYR 72 HB2 TYR 72 -1.283 -9.207 8.591 591 HB3 TYR 72 HB1 TYR 72 -1.052 -8.934 10.318 592 HD1 TYR 72 HD2 TYR 72 -3.538 -9.114 7.588 593 HD2 TYR 72 HD1 TYR 72 -2.927 -8.614 11.809 594 HE1 TYR 72 HE2 TYR 72 -5.961 -9.477 7.981 595 HE2 TYR 72 HE1 TYR 72 -5.347 -8.977 12.204 596 HH TYR 72 HH TYR 72 -7.320 -9.366 11.281 597 H TYR 73 HN TYR 73 0.181 -6.342 10.995 598 HA TYR 73 HA TYR 73 2.697 -6.805 9.475 599 HB2 TYR 73 HB2 TYR 73 2.118 -4.432 9.148 600 HB3 TYR 73 HB1 TYR 73 2.008 -4.217 10.896 601 HD1 TYR 73 HD2 TYR 73 4.361 -5.414 8.233 602 HD2 TYR 73 HD1 TYR 73 3.931 -3.629 12.117 603 HE1 TYR 73 HE2 TYR 73 6.811 -5.055 8.339 604 HE2 TYR 73 HE1 TYR 73 6.384 -3.281 12.224 605 HH TYR 73 HH TYR 73 8.342 -3.212 9.789 606 H GLN 74 HN GLN 74 3.914 -8.046 10.720 607 HA GLN 74 HA GLN 74 4.860 -9.061 12.597 608 HB2 GLN 74 HB2 GLN 74 4.336 -6.308 13.759 609 HB3 GLN 74 HB1 GLN 74 5.268 -7.563 14.572 610 HG2 GLN 74 HG2 GLN 74 6.852 -7.634 12.705 611 HG3 GLN 74 HG1 GLN 74 5.906 -6.431 11.834 612 HE21 GLN 74 HE21 GLN 74 8.343 -5.476 12.134 613 HE22 GLN 74 HE22 GLN 74 8.507 -4.429 13.460 614 H LYS 75 HN LYS 75 2.551 -6.989 14.329 615 HA LYS 75 HA LYS 75 0.899 -9.383 14.969 616 HB2 LYS 75 HB2 LYS 75 0.934 -8.798 17.380 617 HB3 LYS 75 HB1 LYS 75 2.540 -9.222 16.788 618 HG2 LYS 75 HG2 LYS 75 3.125 -6.847 16.580 619 HG3 LYS 75 HG1 LYS 75 1.502 -6.383 17.089 620 HD2 LYS 75 HD2 LYS 75 2.908 -6.211 19.032 621 HD3 LYS 75 HD1 LYS 75 1.908 -7.646 19.242 622 HE2 LYS 75 HE2 LYS 75 3.697 -9.114 18.769 623 HE3 LYS 75 HE1 LYS 75 4.653 -7.846 18.003 624 HZ1 LYS 75 HZ1 LYS 75 5.175 -6.909 20.037 625 HZ2 LYS 75 HZ2 LYS 75 5.253 -8.575 20.358 626 HZ3 LYS 75 HZ3 LYS 75 3.897 -7.677 20.847 627 H GLN 76 HN GLN 76 1.299 -5.897 14.821 628 HA GLN 76 HA GLN 76 -1.591 -5.504 15.449 629 HB2 GLN 76 HB2 GLN 76 0.068 -4.060 16.586 630 HB3 GLN 76 HB1 GLN 76 0.574 -3.437 15.013 631 HG2 GLN 76 HG2 GLN 76 -1.641 -2.544 14.590 632 HG3 GLN 76 HG1 GLN 76 -2.270 -3.306 16.048 633 HE21 GLN 76 HE21 GLN 76 -2.707 -1.570 17.434 634 HE22 GLN 76 HE22 GLN 76 -1.594 -0.351 17.825 635 H LEU 77 HN LEU 77 -2.957 -4.349 14.065 636 HA LEU 77 HA LEU 77 -2.575 -4.905 11.248 637 HB2 LEU 77 HB2 LEU 77 -4.769 -3.825 10.979 638 HB3 LEU 77 HB1 LEU 77 -4.783 -5.055 12.240 639 HG LEU 77 HG LEU 77 -4.069 -2.379 13.294 640 HD11 LEU 77 HD11 LEU 77 -6.355 -1.447 13.117 641 HD12 LEU 77 HD12 LEU 77 -6.806 -2.787 12.058 642 HD13 LEU 77 HD13 LEU 77 -5.585 -1.624 11.540 643 HD21 LEU 77 HD21 LEU 77 -5.576 -3.001 15.051 644 HD22 LEU 77 HD22 LEU 77 -4.747 -4.482 14.576 645 HD23 LEU 77 HD23 LEU 77 -6.394 -4.181 14.026 646 H ILE 78 HN ILE 78 -2.689 -3.284 9.565 647 HA ILE 78 HA ILE 78 -1.338 -0.723 10.338 648 HB ILE 78 HB ILE 78 -1.313 -2.306 7.767 649 HG12 ILE 78 HG12 ILE 78 0.114 -3.198 9.560 650 HG13 ILE 78 HG11 ILE 78 1.084 -2.541 8.248 651 HG21 ILE 78 HG21 ILE 78 -0.205 0.419 8.450 652 HG22 ILE 78 HG22 ILE 78 -1.271 -0.013 7.113 653 HG23 ILE 78 HG23 ILE 78 0.412 -0.544 7.108 654 HD11 ILE 78 HD11 ILE 78 0.758 -1.559 11.047 655 HD12 ILE 78 HD12 ILE 78 0.943 -0.325 9.801 656 HD13 ILE 78 HD13 ILE 78 2.189 -1.557 10.020 657 H ALA 79 HN ALA 79 -3.984 -2.119 8.439 658 HA ALA 79 HA ALA 79 -5.377 0.449 8.582 659 HB1 ALA 79 HB1 ALA 79 -5.456 0.953 6.249 660 HB2 ALA 79 HB2 ALA 79 -4.688 -0.572 5.826 661 HB3 ALA 79 HB3 ALA 79 -3.755 0.684 6.637 662 H ILE 80 HN ILE 80 -7.543 0.319 7.812 663 HA ILE 80 HA ILE 80 -8.559 -2.429 7.194 664 HB ILE 80 HB ILE 80 -9.652 -0.481 9.242 665 HG12 ILE 80 HG12 ILE 80 -8.789 -3.366 9.536 666 HG13 ILE 80 HG11 ILE 80 -7.716 -2.005 9.849 667 HG21 ILE 80 HG21 ILE 80 -10.812 -2.988 8.013 668 HG22 ILE 80 HG22 ILE 80 -11.556 -1.395 8.137 669 HG23 ILE 80 HG23 ILE 80 -11.342 -2.380 9.582 670 HD11 ILE 80 HD11 ILE 80 -8.863 -1.356 11.753 671 HD12 ILE 80 HD12 ILE 80 -9.133 -3.095 11.808 672 HD13 ILE 80 HD13 ILE 80 -10.396 -2.027 11.193 673 H GLY 81 HN GLY 81 -10.138 -2.456 5.647 674 HA2 GLY 81 HA2 GLY 81 -11.884 -0.264 5.046 675 HA3 GLY 81 HA1 GLY 81 -10.518 -0.232 3.930 676 H PHE 82 HN PHE 82 -13.238 -0.719 3.218 677 HA PHE 82 HA PHE 82 -13.165 -3.590 2.358 678 HB2 PHE 82 HB2 PHE 82 -15.580 -3.500 2.192 679 HB3 PHE 82 HB1 PHE 82 -15.112 -2.899 3.780 680 HD1 PHE 82 HD1 PHE 82 -16.354 -1.953 0.433 681 HD2 PHE 82 HD2 PHE 82 -15.374 -0.553 4.375 682 HE1 PHE 82 HE1 PHE 82 -17.529 0.181 -0.032 683 HE2 PHE 82 HE2 PHE 82 -16.547 1.581 3.904 684 HZ PHE 82 HZ PHE 82 -17.625 1.948 1.703 685 H ILE 83 HN ILE 83 -13.276 -4.050 0.181 686 HA ILE 83 HA ILE 83 -13.042 -1.699 -1.639 687 HB ILE 83 HB ILE 83 -12.482 -4.614 -2.222 688 HG12 ILE 83 HG12 ILE 83 -10.730 -2.379 -1.159 689 HG13 ILE 83 HG11 ILE 83 -10.979 -3.978 -0.464 690 HG21 ILE 83 HG21 ILE 83 -12.903 -2.934 -4.128 691 HG22 ILE 83 HG22 ILE 83 -11.372 -3.809 -4.178 692 HG23 ILE 83 HG23 ILE 83 -11.416 -2.143 -3.607 693 HD11 ILE 83 HD11 ILE 83 -9.404 -3.222 -2.921 694 HD12 ILE 83 HD12 ILE 83 -9.964 -4.875 -2.671 695 HD13 ILE 83 HD13 ILE 83 -8.864 -4.130 -1.510 696 H ASP 84 HN ASP 84 -14.795 -1.087 -2.670 697 HA ASP 84 HA ASP 84 -17.121 -2.865 -2.948 698 HB2 ASP 84 HB2 ASP 84 -17.270 -0.426 -2.281 699 HB3 ASP 84 HB1 ASP 84 -16.809 -0.028 -3.936 700 H GLU 85 HN GLU 85 -17.708 -3.863 -4.781 701 HA GLU 85 HA GLU 85 -17.586 -4.672 -6.970 702 HB2 GLU 85 HB2 GLU 85 -16.940 -1.752 -7.457 703 HB3 GLU 85 HB1 GLU 85 -17.258 -2.916 -8.741 704 HG2 GLU 85 HG2 GLU 85 -19.480 -3.365 -7.826 705 HG3 GLU 85 HG1 GLU 85 -19.165 -2.272 -6.479 706 H ASN 86 HN ASN 86 -15.281 -2.411 -8.080 707 HA ASN 86 HA ASN 86 -13.102 -4.469 -7.893 708 HB2 ASN 86 HB2 ASN 86 -13.814 -2.503 -10.077 709 HB3 ASN 86 HB1 ASN 86 -12.274 -3.357 -10.028 710 HD21 ASN 86 HD21 ASN 86 -14.112 -3.797 -12.179 711 HD22 ASN 86 HD22 ASN 86 -14.711 -5.378 -12.056 712 H HIS 87 HN HIS 87 -14.105 -1.260 -7.176 713 HA HIS 87 HA HIS 87 -11.528 -0.700 -5.884 714 HB2 HIS 87 HB2 HIS 87 -11.056 1.356 -7.097 715 HB3 HIS 87 HB1 HIS 87 -11.159 0.029 -8.255 716 HD1 HIS 87 HD1 HIS 87 -13.888 -0.285 -9.090 717 HD2 HIS 87 HD2 HIS 87 -12.518 3.502 -8.010 718 HE1 HIS 87 HE1 HIS 87 -15.473 1.382 -10.153 719 H ASP 88 HN ASP 88 -12.197 2.237 -5.992 720 HA ASP 88 HA ASP 88 -13.331 3.759 -4.626 721 HB2 ASP 88 HB2 ASP 88 -15.567 1.850 -5.355 722 HB3 ASP 88 HB1 ASP 88 -15.842 3.293 -4.381 723 H MET 89 HN MET 89 -11.827 1.761 -3.353 724 HA MET 89 HA MET 89 -13.348 0.614 -1.151 725 HB2 MET 89 HB2 MET 89 -11.247 -0.233 -0.378 726 HB3 MET 89 HB1 MET 89 -11.218 -0.340 -2.137 727 HG2 MET 89 HG2 MET 89 -10.055 1.939 -2.117 728 HG3 MET 89 HG1 MET 89 -9.843 1.695 -0.385 729 HE1 MET 89 HE1 MET 89 -8.390 0.237 0.737 730 HE2 MET 89 HE2 MET 89 -7.452 -1.103 0.082 731 HE3 MET 89 HE3 MET 89 -9.204 -1.231 0.180 732 H ASP 90 HN ASP 90 -13.476 1.325 0.938 733 HA ASP 90 HA ASP 90 -12.424 4.082 1.494 734 HB2 ASP 90 HB2 ASP 90 -14.938 3.805 1.369 735 HB3 ASP 90 HB1 ASP 90 -14.813 2.763 2.790 736 H PHE 91 HN PHE 91 -11.575 4.463 3.556 737 HA PHE 91 HA PHE 91 -10.662 2.008 4.983 738 HB2 PHE 91 HB2 PHE 91 -9.595 4.844 5.071 739 HB3 PHE 91 HB1 PHE 91 -8.876 3.448 5.874 740 HD1 PHE 91 HD1 PHE 91 -7.943 1.569 4.528 741 HD2 PHE 91 HD2 PHE 91 -9.314 5.206 2.699 742 HE1 PHE 91 HE1 PHE 91 -6.723 0.983 2.450 743 HE2 PHE 91 HE2 PHE 91 -8.094 4.620 0.619 744 HZ PHE 91 HZ PHE 91 -6.798 2.509 0.496 745 H LEU 92 HN LEU 92 -12.233 1.584 6.456 746 HA LEU 92 HA LEU 92 -13.739 3.570 7.907 747 HB2 LEU 92 HB2 LEU 92 -13.185 0.697 8.699 748 HB3 LEU 92 HB1 LEU 92 -14.538 1.695 9.235 749 HG LEU 92 HG LEU 92 -14.015 0.888 6.357 750 HD11 LEU 92 HD11 LEU 92 -16.117 -0.489 6.730 751 HD12 LEU 92 HD12 LEU 92 -15.914 -0.185 8.456 752 HD13 LEU 92 HD13 LEU 92 -14.680 -1.074 7.566 753 HD21 LEU 92 HD21 LEU 92 -16.503 1.683 6.236 754 HD22 LEU 92 HD22 LEU 92 -15.234 2.908 6.276 755 HD23 LEU 92 HD23 LEU 92 -16.139 2.530 7.741 756 H TYR 93 HN TYR 93 -10.809 1.711 8.623 757 HA TYR 93 HA TYR 93 -10.187 3.692 10.751 758 HB2 TYR 93 HB2 TYR 93 -11.336 1.655 11.768 759 HB3 TYR 93 HB1 TYR 93 -9.929 0.722 11.259 760 HD1 TYR 93 HD1 TYR 93 -11.147 3.402 13.468 761 HD2 TYR 93 HD2 TYR 93 -7.747 1.055 12.300 762 HE1 TYR 93 HE1 TYR 93 -9.913 4.202 15.462 763 HE2 TYR 93 HE2 TYR 93 -6.509 1.857 14.295 764 HH TYR 93 HH TYR 93 -7.087 4.394 15.916 765 H LEU 94 HN LEU 94 -8.148 4.328 10.556 766 HA LEU 94 HA LEU 94 -6.232 2.612 9.023 767 HB2 LEU 94 HB2 LEU 94 -6.812 4.780 7.947 768 HB3 LEU 94 HB1 LEU 94 -6.223 5.623 9.381 769 HG LEU 94 HG LEU 94 -3.981 4.628 9.038 770 HD11 LEU 94 HD11 LEU 94 -4.199 2.602 7.928 771 HD12 LEU 94 HD12 LEU 94 -3.747 3.629 6.572 772 HD13 LEU 94 HD13 LEU 94 -5.439 3.210 6.832 773 HD21 LEU 94 HD21 LEU 94 -4.236 6.783 8.078 774 HD22 LEU 94 HD22 LEU 94 -5.241 6.170 6.765 775 HD23 LEU 94 HD23 LEU 94 -3.517 5.806 6.800 776 H HIS 95 HN HIS 95 -4.432 1.956 10.073 777 HA HIS 95 HA HIS 95 -3.692 3.332 12.635 778 HB2 HIS 95 HB2 HIS 95 -4.817 1.048 12.900 779 HB3 HIS 95 HB1 HIS 95 -3.375 0.366 12.140 780 HD1 HIS 95 HD1 HIS 95 -1.972 3.075 13.739 781 HD2 HIS 95 HD2 HIS 95 -3.586 -0.464 15.231 782 HE1 HIS 95 HE1 HIS 95 -1.025 2.787 16.063 783 H ASN 96 HN ASN 96 -1.855 4.380 12.114 784 HA ASN 96 HA ASN 96 0.157 3.064 10.356 785 HB2 ASN 96 HB2 ASN 96 -0.526 5.416 9.881 786 HB3 ASN 96 HB1 ASN 96 0.084 5.884 11.469 787 HD21 ASN 96 HD21 ASN 96 1.074 6.581 8.649 788 HD22 ASN 96 HD22 ASN 96 2.718 6.165 8.673 789 H THR 97 HN THR 97 1.245 1.642 11.631 790 HA THR 97 HA THR 97 2.541 0.812 13.411 791 HB THR 97 HB THR 97 4.348 2.485 14.137 792 HG1 THR 97 HG1 THR 97 3.840 4.457 13.688 793 HG21 THR 97 HG21 THR 97 5.464 2.389 11.944 794 HG22 THR 97 HG22 THR 97 3.930 1.970 11.181 795 HG23 THR 97 HG23 THR 97 4.678 0.857 12.326 796 H VAL 98 HN VAL 98 2.999 3.899 14.838 797 HA VAL 98 HA VAL 98 1.040 3.256 17.002 798 HB VAL 98 HB VAL 98 3.430 2.726 17.603 799 HG11 VAL 98 HG11 VAL 98 5.022 4.493 17.910 800 HG12 VAL 98 HG12 VAL 98 3.814 5.731 17.569 801 HG13 VAL 98 HG13 VAL 98 4.378 4.671 16.277 802 HG21 VAL 98 HG21 VAL 98 1.529 3.571 19.215 803 HG22 VAL 98 HG22 VAL 98 2.498 5.041 19.293 804 HG23 VAL 98 HG23 VAL 98 3.191 3.499 19.800 805 H MET 99 HN MET 99 1.118 5.135 14.597 806 HA MET 99 HA MET 99 0.202 7.536 16.105 807 HB2 MET 99 HB2 MET 99 1.383 8.959 14.315 808 HB3 MET 99 HB1 MET 99 2.402 8.243 15.565 809 HG2 MET 99 HG2 MET 99 3.164 6.523 14.103 810 HG3 MET 99 HG1 MET 99 1.911 6.874 12.912 811 HE1 MET 99 HE1 MET 99 3.386 7.639 10.613 812 HE2 MET 99 HE2 MET 99 4.091 6.430 11.682 813 HE3 MET 99 HE3 MET 99 5.096 7.734 11.056 814 HA PRO 100 HA PRO 100 -2.672 6.050 12.710 815 HB2 PRO 100 HB2 PRO 100 -4.639 6.890 14.801 816 HB3 PRO 100 HB1 PRO 100 -4.596 5.405 13.825 817 HG2 PRO 100 HG2 PRO 100 -3.933 5.365 16.401 818 HG3 PRO 100 HG1 PRO 100 -3.051 4.384 15.214 819 HD2 PRO 100 HD2 PRO 100 -2.223 6.978 16.494 820 HD3 PRO 100 HD1 PRO 100 -1.242 5.540 16.136 821 H LEU 101 HN LEU 101 -3.710 7.389 11.247 822 HA LEU 101 HA LEU 101 -3.613 10.320 11.795 823 HB2 LEU 101 HB2 LEU 101 -4.131 8.866 9.190 824 HB3 LEU 101 HB1 LEU 101 -3.776 10.581 9.383 825 HG LEU 101 HG LEU 101 -1.900 8.296 10.072 826 HD11 LEU 101 HD11 LEU 101 -1.815 10.349 7.838 827 HD12 LEU 101 HD12 LEU 101 -2.202 8.640 7.641 828 HD13 LEU 101 HD13 LEU 101 -0.587 9.126 8.157 829 HD21 LEU 101 HD21 LEU 101 -1.744 11.296 10.397 830 HD22 LEU 101 HD22 LEU 101 -0.273 10.350 10.172 831 HD23 LEU 101 HD23 LEU 101 -1.320 10.034 11.555 832 H LEU 102 HN LEU 102 -5.801 8.178 9.955 833 HA LEU 102 HA LEU 102 -8.070 9.957 10.407 834 HB2 LEU 102 HB2 LEU 102 -8.051 7.123 9.330 835 HB3 LEU 102 HB1 LEU 102 -9.341 8.307 9.136 836 HG LEU 102 HG LEU 102 -6.516 8.583 8.068 837 HD11 LEU 102 HD11 LEU 102 -7.513 8.250 5.871 838 HD12 LEU 102 HD12 LEU 102 -9.122 8.136 6.581 839 HD13 LEU 102 HD13 LEU 102 -7.928 6.877 6.897 840 HD21 LEU 102 HD21 LEU 102 -7.234 10.788 8.415 841 HD22 LEU 102 HD22 LEU 102 -8.925 10.397 8.104 842 HD23 LEU 102 HD23 LEU 102 -7.780 10.491 6.765 843 H ASP 103 HN ASP 103 -8.057 6.473 10.984 844 HA ASP 103 HA ASP 103 -9.244 5.267 12.615 845 HB2 ASP 103 HB2 ASP 103 -8.361 5.893 14.966 846 HB3 ASP 103 HB1 ASP 103 -7.191 5.356 13.764 847 H GLN 104 HN GLN 104 -11.377 6.042 12.192 848 HA GLN 104 HA GLN 104 -12.367 8.117 14.125 849 HB2 GLN 104 HB2 GLN 104 -13.392 7.350 11.382 850 HB3 GLN 104 HB1 GLN 104 -14.235 8.435 12.491 851 HG2 GLN 104 HG2 GLN 104 -12.308 9.947 12.523 852 HG3 GLN 104 HG1 GLN 104 -11.414 8.858 11.465 853 HE21 GLN 104 HE21 GLN 104 -11.545 11.186 10.267 854 HE22 GLN 104 HE22 GLN 104 -12.808 11.311 9.139 855 H ARG 105 HN ARG 105 -13.401 7.216 15.743 856 HA ARG 105 HA ARG 105 -14.396 4.522 15.801 857 HB2 ARG 105 HB2 ARG 105 -15.089 6.894 17.561 858 HB3 ARG 105 HB1 ARG 105 -15.406 5.204 17.956 859 HG2 ARG 105 HG2 ARG 105 -12.612 6.160 17.324 860 HG3 ARG 105 HG1 ARG 105 -13.273 6.300 18.952 861 HD2 ARG 105 HD2 ARG 105 -13.761 3.840 18.907 862 HD3 ARG 105 HD1 ARG 105 -12.940 3.751 17.349 863 HE ARG 105 HE ARG 105 -11.387 4.912 19.572 864 HH11 ARG 105 HH21 ARG 105 -12.180 2.188 17.592 865 HH12 ARG 105 HH22 ARG 105 -10.692 1.366 17.915 866 HH21 ARG 105 HH11 ARG 105 -9.462 3.847 19.995 867 HH22 ARG 105 HH12 ARG 105 -9.158 2.303 19.274 868 H TYR 106 HN TYR 106 -15.831 7.629 15.069 869 HA TYR 106 HA TYR 106 -18.580 7.001 15.202 870 HB2 TYR 106 HB2 TYR 106 -17.158 8.693 13.122 871 HB3 TYR 106 HB1 TYR 106 -18.879 8.765 13.493 872 HD1 TYR 106 HD1 TYR 106 -19.643 9.569 15.724 873 HD2 TYR 106 HD2 TYR 106 -15.522 9.755 14.529 874 HE1 TYR 106 HE1 TYR 106 -19.187 11.186 17.548 875 HE2 TYR 106 HE2 TYR 106 -15.065 11.372 16.355 876 HH TYR 106 HH TYR 106 -17.139 11.890 18.910 877 H LEU 107 HN LEU 107 -16.304 6.561 12.521 878 HA LEU 107 HA LEU 107 -18.183 5.383 10.700 879 HB2 LEU 107 HB2 LEU 107 -15.191 5.434 10.949 880 HB3 LEU 107 HB1 LEU 107 -15.943 4.406 9.727 881 HG LEU 107 HG LEU 107 -15.325 6.717 8.913 882 HD11 LEU 107 HD11 LEU 107 -18.315 6.613 8.746 883 HD12 LEU 107 HD12 LEU 107 -17.434 5.196 8.170 884 HD13 LEU 107 HD13 LEU 107 -17.116 6.779 7.462 885 HD21 LEU 107 HD21 LEU 107 -16.480 8.644 9.712 886 HD22 LEU 107 HD22 LEU 107 -16.005 7.765 11.166 887 HD23 LEU 107 HD23 LEU 107 -17.664 7.666 10.579 888 H LEU 108 HN LEU 108 -15.942 3.974 13.062 889 HA LEU 108 HA LEU 108 -16.487 1.238 12.393 890 HB2 LEU 108 HB2 LEU 108 -15.563 2.537 14.961 891 HB3 LEU 108 HB1 LEU 108 -15.675 0.788 14.760 892 HG LEU 108 HG LEU 108 -14.050 2.612 12.959 893 HD11 LEU 108 HD11 LEU 108 -13.299 1.036 15.423 894 HD12 LEU 108 HD12 LEU 108 -12.923 2.715 15.035 895 HD13 LEU 108 HD13 LEU 108 -12.106 1.407 14.180 896 HD21 LEU 108 HD21 LEU 108 -14.575 -0.347 13.062 897 HD22 LEU 108 HD22 LEU 108 -12.960 0.186 12.590 898 HD23 LEU 108 HD23 LEU 108 -14.364 0.708 11.663 899 H THR 109 HN THR 109 -18.002 3.460 14.695 900 HA THR 109 HA THR 109 -20.055 1.396 15.344 901 HB THR 109 HB THR 109 -20.772 3.158 17.047 902 HG1 THR 109 HG1 THR 109 -19.126 4.612 15.641 903 HG21 THR 109 HG21 THR 109 -18.025 1.904 17.067 904 HG22 THR 109 HG22 THR 109 -19.497 1.309 17.834 905 HG23 THR 109 HG23 THR 109 -18.689 2.740 18.470 906 H GLY 110 HN GLY 110 -19.606 3.558 12.985 907 HA2 GLY 110 HA2 GLY 110 -21.120 4.397 11.391 908 HA3 GLY 110 HA1 GLY 110 -22.436 3.693 12.325 909 H GLY 111 HN GLY 111 -23.086 5.994 11.334 910 HA2 GLY 111 HA2 GLY 111 -22.281 8.309 12.902 911 HA3 GLY 111 HA1 GLY 111 -23.595 8.259 11.727 912 H GLN 112 HN GLN 112 -23.274 9.165 14.677 913 HA GLN 112 HA GLN 112 -25.461 7.566 15.910 914 HB2 GLN 112 HB2 GLN 112 -23.394 8.068 17.228 915 HB3 GLN 112 HB1 GLN 112 -23.785 9.783 17.117 916 HG2 GLN 112 HG2 GLN 112 -24.600 8.925 19.247 917 HG3 GLN 112 HG1 GLN 112 -25.982 9.309 18.222 918 HE21 GLN 112 HE21 GLN 112 -27.464 7.721 18.996 919 HE22 GLN 112 HE22 GLN 112 -27.179 6.052 18.887 920 H LEU 113 HN LEU 113 -27.474 8.336 16.082 921 HA LEU 113 HA LEU 113 -28.225 10.808 14.755 922 HB2 LEU 113 HB2 LEU 113 -29.886 8.957 16.482 923 HB3 LEU 113 HB1 LEU 113 -30.509 10.173 15.365 924 HG LEU 113 HG LEU 113 -28.805 7.785 14.583 925 HD11 LEU 113 HD11 LEU 113 -30.905 7.007 13.479 926 HD12 LEU 113 HD12 LEU 113 -31.765 8.351 14.228 927 HD13 LEU 113 HD13 LEU 113 -31.054 7.088 15.235 928 HD21 LEU 113 HD21 LEU 113 -29.748 8.592 12.250 929 HD22 LEU 113 HD22 LEU 113 -28.339 9.392 12.941 930 HD23 LEU 113 HD23 LEU 113 -29.929 10.142 13.076 931 H GLU 114 HN GLU 114 -28.787 12.728 15.640 932 HA GLU 114 HA GLU 114 -28.042 13.214 18.446 933 HB2 GLU 114 HB2 GLU 114 -28.961 15.069 16.234 934 HB3 GLU 114 HB1 GLU 114 -28.439 15.601 17.832 935 HG2 GLU 114 HG2 GLU 114 -26.473 15.812 16.568 936 HG3 GLU 114 HG1 GLU 114 -26.270 14.227 17.315 937 H HIS 115 HN HIS 115 -29.704 15.321 19.074 938 HA HIS 115 HA HIS 115 -31.723 15.728 20.174 939 HB2 HIS 115 HB2 HIS 115 -32.444 15.770 17.730 940 HB3 HIS 115 HB1 HIS 115 -32.988 14.108 17.947 941 HD1 HIS 115 HD1 HIS 115 -34.990 13.713 19.596 942 HD2 HIS 115 HD2 HIS 115 -34.064 17.729 18.974 943 HE1 HIS 115 HE1 HIS 115 -36.931 15.046 20.523 944 H HIS 116 HN HIS 116 -30.188 13.149 20.577 945 HA HIS 116 HA HIS 116 -32.182 11.132 21.252 946 HB2 HIS 116 HB2 HIS 116 -30.298 9.902 22.206 947 HB3 HIS 116 HB1 HIS 116 -29.811 10.585 20.655 948 HD1 HIS 116 HD1 HIS 116 -28.176 12.640 20.708 949 HD2 HIS 116 HD2 HIS 116 -28.942 10.967 24.450 950 HE1 HIS 116 HE1 HIS 116 -26.439 13.591 22.288 951 H HIS 117 HN HIS 117 -31.977 14.013 22.509 952 HA HIS 117 HA HIS 117 -31.509 13.707 25.314 953 HB2 HIS 117 HB2 HIS 117 -31.745 15.911 24.176 954 HB3 HIS 117 HB1 HIS 117 -33.458 15.572 23.932 955 HD1 HIS 117 HD1 HIS 117 -35.018 15.703 25.990 956 HD2 HIS 117 HD2 HIS 117 -31.020 16.470 26.888 957 HE1 HIS 117 HE1 HIS 117 -34.978 16.620 28.351 958 H HIS 118 HN HIS 118 -34.459 13.365 23.365 959 HA HIS 118 HA HIS 118 -35.561 11.538 25.391 960 HB2 HIS 118 HB2 HIS 118 -37.673 12.817 25.631 961 HB3 HIS 118 HB1 HIS 118 -36.289 13.699 26.272 962 HD1 HIS 118 HD1 HIS 118 -35.229 15.539 24.546 963 HD2 HIS 118 HD2 HIS 118 -39.096 14.222 23.711 964 HE1 HIS 118 HE1 HIS 118 -36.241 17.240 22.963 965 H HIS 119 HN HIS 119 -37.301 10.288 24.562 966 HA HIS 119 HA HIS 119 -38.237 10.743 21.806 967 HB2 HIS 119 HB2 HIS 119 -37.490 8.500 21.042 968 HB3 HIS 119 HB1 HIS 119 -36.117 9.530 21.443 969 HD1 HIS 119 HD1 HIS 119 -34.752 8.942 23.576 970 HD2 HIS 119 HD2 HIS 119 -37.890 6.302 22.821 971 HE1 HIS 119 HE1 HIS 119 -34.379 6.936 25.077 972 H HIS 120 HN HIS 120 -38.226 8.892 24.789 973 HA HIS 120 HA HIS 120 -40.606 7.332 24.148 974 HB2 HIS 120 HB2 HIS 120 -38.829 6.662 25.816 975 HB3 HIS 120 HB1 HIS 120 -39.439 7.931 26.877 976 HD1 HIS 120 HD1 HIS 120 -41.656 7.511 28.089 977 HD2 HIS 120 HD2 HIS 120 -40.652 4.465 25.426 978 HE1 HIS 120 HE1 HIS 120 -43.280 5.616 28.524 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -12.247 -2.872 21.507 2 H2 MET 1 HT2 MET 1 -13.478 -4.007 21.217 3 H3 MET 1 HT3 MET 1 -12.632 -3.317 19.916 4 HA MET 1 HA MET 1 -10.556 -4.333 20.968 5 HB2 MET 1 HB2 MET 1 -12.792 -5.872 22.307 6 HB3 MET 1 HB1 MET 1 -11.128 -6.445 22.214 7 HG2 MET 1 HG2 MET 1 -10.367 -4.385 23.366 8 HG3 MET 1 HG1 MET 1 -12.043 -3.856 23.503 9 HE1 MET 1 HE1 MET 1 -13.823 -6.264 24.352 10 HE2 MET 1 HE2 MET 1 -13.710 -4.604 24.932 11 HE3 MET 1 HE3 MET 1 -13.682 -5.936 26.083 12 H THR 2 HN THR 2 -9.991 -6.582 20.184 13 HA THR 2 HA THR 2 -9.771 -7.846 18.208 14 HB THR 2 HB THR 2 -11.775 -9.323 17.865 15 HG1 THR 2 HG1 THR 2 -12.811 -7.721 19.962 16 HG21 THR 2 HG21 THR 2 -11.553 -10.430 20.011 17 HG22 THR 2 HG22 THR 2 -10.996 -8.939 20.768 18 HG23 THR 2 HG23 THR 2 -9.984 -9.752 19.574 19 H LEU 3 HN LEU 3 -9.501 -6.075 16.758 20 HA LEU 3 HA LEU 3 -11.633 -4.689 15.460 21 HB2 LEU 3 HB2 LEU 3 -8.739 -5.206 14.800 22 HB3 LEU 3 HB1 LEU 3 -9.775 -4.369 13.646 23 HG LEU 3 HG LEU 3 -8.510 -2.840 15.202 24 HD11 LEU 3 HD11 LEU 3 -11.402 -2.439 15.873 25 HD12 LEU 3 HD12 LEU 3 -10.966 -2.479 14.164 26 HD13 LEU 3 HD13 LEU 3 -10.222 -1.296 15.237 27 HD21 LEU 3 HD21 LEU 3 -10.435 -3.830 17.315 28 HD22 LEU 3 HD22 LEU 3 -9.052 -2.757 17.528 29 HD23 LEU 3 HD23 LEU 3 -8.797 -4.467 17.165 30 H GLU 4 HN GLU 4 -9.870 -7.625 14.626 31 HA GLU 4 HA GLU 4 -10.809 -8.096 12.040 32 HB2 GLU 4 HB2 GLU 4 -10.819 -10.639 13.005 33 HB3 GLU 4 HB1 GLU 4 -9.329 -9.765 12.651 34 HG2 GLU 4 HG2 GLU 4 -8.985 -9.190 14.925 35 HG3 GLU 4 HG1 GLU 4 -10.642 -9.591 15.367 36 H LEU 5 HN LEU 5 -12.347 -9.294 15.033 37 HA LEU 5 HA LEU 5 -14.696 -10.280 13.744 38 HB2 LEU 5 HB2 LEU 5 -13.990 -9.540 16.576 39 HB3 LEU 5 HB1 LEU 5 -15.660 -9.937 16.176 40 HG LEU 5 HG LEU 5 -14.894 -12.098 15.224 41 HD11 LEU 5 HD11 LEU 5 -12.649 -11.559 14.552 42 HD12 LEU 5 HD12 LEU 5 -12.531 -12.795 15.803 43 HD13 LEU 5 HD13 LEU 5 -12.205 -11.108 16.198 44 HD21 LEU 5 HD21 LEU 5 -14.365 -13.169 17.367 45 HD22 LEU 5 HD22 LEU 5 -15.591 -11.925 17.606 46 HD23 LEU 5 HD23 LEU 5 -13.916 -11.609 18.057 47 H GLN 6 HN GLN 6 -13.908 -7.148 15.167 48 HA GLN 6 HA GLN 6 -16.515 -6.011 15.024 49 HB2 GLN 6 HB2 GLN 6 -14.550 -5.026 16.257 50 HB3 GLN 6 HB1 GLN 6 -13.867 -4.571 14.698 51 HG2 GLN 6 HG2 GLN 6 -15.050 -2.656 15.621 52 HG3 GLN 6 HG1 GLN 6 -15.942 -3.255 14.223 53 HE21 GLN 6 HE21 GLN 6 -18.080 -2.704 14.875 54 HE22 GLN 6 HE22 GLN 6 -18.815 -3.323 16.273 55 H LEU 7 HN LEU 7 -13.891 -6.223 12.660 56 HA LEU 7 HA LEU 7 -15.043 -4.513 10.693 57 HB2 LEU 7 HB2 LEU 7 -12.703 -5.267 10.551 58 HB3 LEU 7 HB1 LEU 7 -13.240 -6.931 10.339 59 HG LEU 7 HG LEU 7 -14.338 -6.337 8.221 60 HD11 LEU 7 HD11 LEU 7 -13.555 -3.561 9.081 61 HD12 LEU 7 HD12 LEU 7 -15.080 -4.132 8.407 62 HD13 LEU 7 HD13 LEU 7 -13.679 -3.928 7.360 63 HD21 LEU 7 HD21 LEU 7 -11.457 -5.450 8.509 64 HD22 LEU 7 HD22 LEU 7 -12.261 -5.614 6.948 65 HD23 LEU 7 HD23 LEU 7 -12.054 -7.024 7.984 66 H LYS 8 HN LYS 8 -15.289 -8.015 11.199 67 HA LYS 8 HA LYS 8 -16.982 -8.539 8.949 68 HB2 LYS 8 HB2 LYS 8 -16.409 -9.982 11.525 69 HB3 LYS 8 HB1 LYS 8 -17.651 -10.586 10.431 70 HG2 LYS 8 HG2 LYS 8 -15.735 -11.747 9.718 71 HG3 LYS 8 HG1 LYS 8 -15.780 -10.387 8.598 72 HD2 LYS 8 HD2 LYS 8 -14.188 -9.163 10.064 73 HD3 LYS 8 HD1 LYS 8 -14.116 -10.569 11.125 74 HE2 LYS 8 HE2 LYS 8 -13.372 -10.562 8.188 75 HE3 LYS 8 HE1 LYS 8 -12.224 -10.527 9.527 76 HZ1 LYS 8 HZ1 LYS 8 -12.415 -12.704 9.773 77 HZ2 LYS 8 HZ2 LYS 8 -13.361 -12.754 8.362 78 HZ3 LYS 8 HZ3 LYS 8 -14.105 -12.613 9.883 79 H HIS 9 HN HIS 9 -17.650 -7.716 12.310 80 HA HIS 9 HA HIS 9 -20.508 -7.993 12.117 81 HB2 HIS 9 HB2 HIS 9 -19.281 -7.964 14.273 82 HB3 HIS 9 HB1 HIS 9 -18.861 -6.275 13.992 83 HD1 HIS 9 HD1 HIS 9 -21.950 -8.462 14.385 84 HD2 HIS 9 HD2 HIS 9 -20.812 -4.475 14.813 85 HE1 HIS 9 HE1 HIS 9 -23.939 -7.253 15.380 86 H TYR 10 HN TYR 10 -18.317 -5.210 11.844 87 HA TYR 10 HA TYR 10 -20.345 -3.230 11.451 88 HB2 TYR 10 HB2 TYR 10 -18.053 -2.621 12.041 89 HB3 TYR 10 HB1 TYR 10 -17.459 -3.301 10.526 90 HD1 TYR 10 HD1 TYR 10 -19.837 -0.747 11.868 91 HD2 TYR 10 HD2 TYR 10 -17.328 -1.948 8.597 92 HE1 TYR 10 HE1 TYR 10 -20.277 1.415 10.738 93 HE2 TYR 10 HE2 TYR 10 -17.774 0.211 7.464 94 HH TYR 10 HH TYR 10 -19.831 2.696 8.986 95 H ILE 11 HN ILE 11 -18.300 -4.933 9.071 96 HA ILE 11 HA ILE 11 -19.571 -3.764 6.782 97 HB ILE 11 HB ILE 11 -17.298 -4.900 6.848 98 HG12 ILE 11 HG12 ILE 11 -19.156 -6.046 4.749 99 HG13 ILE 11 HG11 ILE 11 -18.630 -4.363 4.744 100 HG21 ILE 11 HG21 ILE 11 -18.338 -6.933 8.076 101 HG22 ILE 11 HG22 ILE 11 -17.127 -7.256 6.837 102 HG23 ILE 11 HG23 ILE 11 -18.842 -7.472 6.477 103 HD11 ILE 11 HD11 ILE 11 -17.248 -6.018 3.343 104 HD12 ILE 11 HD12 ILE 11 -16.648 -6.635 4.882 105 HD13 ILE 11 HD13 ILE 11 -16.363 -4.953 4.434 106 H THR 12 HN THR 12 -20.081 -6.834 8.488 107 HA THR 12 HA THR 12 -21.999 -7.943 6.696 108 HB THR 12 HB THR 12 -21.684 -8.319 9.685 109 HG1 THR 12 HG1 THR 12 -20.920 -10.389 8.243 110 HG21 THR 12 HG21 THR 12 -22.841 -10.521 9.179 111 HG22 THR 12 HG22 THR 12 -23.275 -9.839 7.618 112 HG23 THR 12 HG23 THR 12 -23.869 -9.093 9.100 113 H ASN 13 HN ASN 13 -22.475 -5.978 9.633 114 HA ASN 13 HA ASN 13 -25.348 -5.983 9.465 115 HB2 ASN 13 HB2 ASN 13 -23.392 -4.150 10.868 116 HB3 ASN 13 HB1 ASN 13 -25.140 -3.995 11.024 117 HD21 ASN 13 HD21 ASN 13 -24.888 -7.215 10.645 118 HD22 ASN 13 HD22 ASN 13 -24.659 -7.705 12.253 119 H LEU 14 HN LEU 14 -22.853 -3.851 8.186 120 HA LEU 14 HA LEU 14 -24.532 -1.702 7.415 121 HB2 LEU 14 HB2 LEU 14 -22.094 -1.487 7.393 122 HB3 LEU 14 HB1 LEU 14 -21.975 -2.713 6.133 123 HG LEU 14 HG LEU 14 -23.173 -1.268 4.556 124 HD11 LEU 14 HD11 LEU 14 -24.728 -0.048 5.818 125 HD12 LEU 14 HD12 LEU 14 -23.534 1.186 5.423 126 HD13 LEU 14 HD13 LEU 14 -23.532 0.434 7.019 127 HD21 LEU 14 HD21 LEU 14 -21.001 0.285 6.000 128 HD22 LEU 14 HD22 LEU 14 -21.511 0.511 4.327 129 HD23 LEU 14 HD23 LEU 14 -20.712 -0.987 4.811 130 H PHE 15 HN PHE 15 -23.609 -4.634 5.635 131 HA PHE 15 HA PHE 15 -25.354 -3.843 3.372 132 HB2 PHE 15 HB2 PHE 15 -23.395 -6.099 3.828 133 HB3 PHE 15 HB1 PHE 15 -24.453 -6.050 2.418 134 HD1 PHE 15 HD1 PHE 15 -24.411 -3.939 0.955 135 HD2 PHE 15 HD2 PHE 15 -21.391 -4.838 3.874 136 HE1 PHE 15 HE1 PHE 15 -22.864 -2.352 -0.157 137 HE2 PHE 15 HE2 PHE 15 -19.845 -3.251 2.762 138 HZ PHE 15 HZ PHE 15 -20.582 -2.008 0.746 139 H ASN 16 HN ASN 16 -26.036 -4.980 6.255 140 HA ASN 16 HA ASN 16 -27.717 -6.319 7.171 141 HB2 ASN 16 HB2 ASN 16 -28.990 -4.815 5.537 142 HB3 ASN 16 HB1 ASN 16 -29.000 -6.189 4.433 143 HD21 ASN 16 HD21 ASN 16 -31.283 -6.629 4.601 144 HD22 ASN 16 HD22 ASN 16 -32.004 -7.161 6.042 145 H LEU 17 HN LEU 17 -25.460 -7.677 6.063 146 HA LEU 17 HA LEU 17 -26.568 -10.064 4.725 147 HB2 LEU 17 HB2 LEU 17 -23.746 -9.247 5.460 148 HB3 LEU 17 HB1 LEU 17 -24.135 -10.788 4.695 149 HG LEU 17 HG LEU 17 -24.873 -8.079 3.557 150 HD11 LEU 17 HD11 LEU 17 -22.467 -8.248 3.539 151 HD12 LEU 17 HD12 LEU 17 -23.030 -8.601 1.905 152 HD13 LEU 17 HD13 LEU 17 -22.538 -9.917 2.970 153 HD21 LEU 17 HD21 LEU 17 -24.962 -9.676 1.435 154 HD22 LEU 17 HD22 LEU 17 -26.338 -9.581 2.526 155 HD23 LEU 17 HD23 LEU 17 -25.213 -10.933 2.649 156 HA PRO 18 HA PRO 18 -26.999 -12.377 8.465 157 HB2 PRO 18 HB2 PRO 18 -26.504 -14.929 7.552 158 HB3 PRO 18 HB1 PRO 18 -28.006 -14.042 7.220 159 HG2 PRO 18 HG2 PRO 18 -25.598 -14.385 5.483 160 HG3 PRO 18 HG1 PRO 18 -27.313 -14.493 5.056 161 HD2 PRO 18 HD2 PRO 18 -25.862 -12.275 4.532 162 HD3 PRO 18 HD1 PRO 18 -27.577 -12.176 4.979 163 H ARG 19 HN ARG 19 -25.761 -13.084 10.165 164 HA ARG 19 HA ARG 19 -22.834 -12.982 9.859 165 HB2 ARG 19 HB2 ARG 19 -24.683 -13.256 12.242 166 HB3 ARG 19 HB1 ARG 19 -22.926 -13.327 12.386 167 HG2 ARG 19 HG2 ARG 19 -22.725 -11.095 11.413 168 HG3 ARG 19 HG1 ARG 19 -24.469 -11.018 11.165 169 HD2 ARG 19 HD2 ARG 19 -23.185 -11.390 13.881 170 HD3 ARG 19 HD1 ARG 19 -23.635 -9.814 13.231 171 HE ARG 19 HE ARG 19 -25.990 -11.089 13.004 172 HH11 ARG 19 HH21 ARG 19 -23.658 -11.104 15.566 173 HH12 ARG 19 HH22 ARG 19 -24.836 -11.406 16.797 174 HH21 ARG 19 HH11 ARG 19 -27.516 -11.475 14.606 175 HH22 ARG 19 HH12 ARG 19 -27.011 -11.616 16.258 176 H ASP 20 HN ASP 20 -25.249 -15.346 9.734 177 HA ASP 20 HA ASP 20 -23.711 -17.532 10.919 178 HB2 ASP 20 HB2 ASP 20 -26.224 -17.466 9.222 179 HB3 ASP 20 HB1 ASP 20 -25.542 -18.946 9.898 180 H GLU 21 HN GLU 21 -23.295 -15.782 8.182 181 HA GLU 21 HA GLU 21 -22.673 -17.992 6.341 182 HB2 GLU 21 HB2 GLU 21 -23.629 -15.816 5.550 183 HB3 GLU 21 HB1 GLU 21 -22.130 -15.027 6.038 184 HG2 GLU 21 HG2 GLU 21 -20.847 -16.370 4.484 185 HG3 GLU 21 HG1 GLU 21 -22.267 -17.333 4.080 186 H LYS 22 HN LYS 22 -20.819 -19.065 6.550 187 HA LYS 22 HA LYS 22 -18.602 -18.112 8.139 188 HB2 LYS 22 HB2 LYS 22 -19.191 -20.517 7.886 189 HB3 LYS 22 HB1 LYS 22 -18.694 -20.434 6.195 190 HG2 LYS 22 HG2 LYS 22 -16.420 -19.827 6.859 191 HG3 LYS 22 HG1 LYS 22 -16.899 -19.797 8.556 192 HD2 LYS 22 HD2 LYS 22 -17.484 -22.201 8.425 193 HD3 LYS 22 HD1 LYS 22 -16.964 -22.226 6.740 194 HE2 LYS 22 HE2 LYS 22 -15.172 -21.439 9.055 195 HE3 LYS 22 HE1 LYS 22 -15.211 -23.050 8.340 196 HZ1 LYS 22 HZ1 LYS 22 -14.530 -22.163 6.249 197 HZ2 LYS 22 HZ2 LYS 22 -13.451 -21.594 7.432 198 HZ3 LYS 22 HZ3 LYS 22 -14.656 -20.567 6.813 199 H TRP 23 HN TRP 23 -16.737 -17.157 7.503 200 HA TRP 23 HA TRP 23 -16.547 -16.271 4.664 201 HB2 TRP 23 HB2 TRP 23 -15.345 -15.281 7.253 202 HB3 TRP 23 HB1 TRP 23 -14.711 -14.760 5.694 203 HD1 TRP 23 HD1 TRP 23 -16.718 -13.777 3.964 204 HE1 TRP 23 HE1 TRP 23 -18.620 -12.142 4.568 205 HE3 TRP 23 HE3 TRP 23 -16.828 -14.399 9.025 206 HZ2 TRP 23 HZ2 TRP 23 -20.001 -11.220 6.899 207 HZ3 TRP 23 HZ3 TRP 23 -18.439 -13.128 10.415 208 HH2 TRP 23 HH2 TRP 23 -20.025 -11.543 9.360 209 H GLU 24 HN GLU 24 -14.534 -16.407 3.562 210 HA GLU 24 HA GLU 24 -12.787 -18.660 4.488 211 HB2 GLU 24 HB2 GLU 24 -13.396 -17.593 1.719 212 HB3 GLU 24 HB1 GLU 24 -12.160 -18.806 2.052 213 HG2 GLU 24 HG2 GLU 24 -13.847 -20.305 3.003 214 HG3 GLU 24 HG1 GLU 24 -15.096 -19.084 2.765 215 H CYS 25 HN CYS 25 -10.949 -17.934 5.344 216 HA CYS 25 HA CYS 25 -9.941 -15.249 4.802 217 HB2 CYS 25 HB2 CYS 25 -8.337 -15.697 6.512 218 HB3 CYS 25 HB1 CYS 25 -9.836 -16.459 7.041 219 HG CYS 25 HG CYS 25 -7.911 -18.223 7.288 220 H GLU 26 HN GLU 26 -8.114 -14.696 3.684 221 HA GLU 26 HA GLU 26 -6.501 -16.835 2.392 222 HB2 GLU 26 HB2 GLU 26 -8.288 -16.166 0.784 223 HB3 GLU 26 HB1 GLU 26 -7.709 -14.502 0.876 224 HG2 GLU 26 HG2 GLU 26 -5.509 -15.198 0.051 225 HG3 GLU 26 HG1 GLU 26 -6.040 -16.880 0.011 226 H SER 27 HN SER 27 -4.746 -16.274 3.652 227 HA SER 27 HA SER 27 -3.883 -13.510 3.960 228 HB2 SER 27 HB2 SER 27 -2.314 -16.005 4.604 229 HB3 SER 27 HB1 SER 27 -2.104 -14.398 5.293 230 HG SER 27 HG SER 27 -4.374 -16.094 5.551 231 H ILE 28 HN ILE 28 -2.432 -12.441 2.776 232 HA ILE 28 HA ILE 28 -0.519 -13.842 1.042 233 HB ILE 28 HB ILE 28 -2.597 -13.655 -0.344 234 HG12 ILE 28 HG12 ILE 28 -0.384 -11.813 -1.293 235 HG13 ILE 28 HG11 ILE 28 -0.241 -13.569 -1.273 236 HG21 ILE 28 HG21 ILE 28 -2.101 -10.670 -0.218 237 HG22 ILE 28 HG22 ILE 28 -3.317 -11.479 0.771 238 HG23 ILE 28 HG23 ILE 28 -3.449 -11.508 -0.987 239 HD11 ILE 28 HD11 ILE 28 -0.971 -12.669 -3.492 240 HD12 ILE 28 HD12 ILE 28 -2.433 -12.056 -2.719 241 HD13 ILE 28 HD13 ILE 28 -2.132 -13.792 -2.784 242 H GLU 29 HN GLU 29 1.295 -12.591 0.695 243 HA GLU 29 HA GLU 29 1.406 -10.013 2.162 244 HB2 GLU 29 HB2 GLU 29 3.550 -11.821 1.022 245 HB3 GLU 29 HB1 GLU 29 3.889 -10.274 1.801 246 HG2 GLU 29 HG2 GLU 29 2.802 -11.048 3.861 247 HG3 GLU 29 HG1 GLU 29 2.402 -12.583 3.090 248 H GLU 30 HN GLU 30 1.310 -8.138 1.101 249 HA GLU 30 HA GLU 30 2.304 -7.982 -1.708 250 HB2 GLU 30 HB2 GLU 30 -0.426 -7.098 -0.746 251 HB3 GLU 30 HB1 GLU 30 0.270 -6.630 -2.297 252 HG2 GLU 30 HG2 GLU 30 0.472 -9.006 -2.928 253 HG3 GLU 30 HG1 GLU 30 -0.221 -9.475 -1.376 254 H VAL 31 HN VAL 31 2.694 -5.782 -2.401 255 HA VAL 31 HA VAL 31 3.955 -4.172 -0.371 256 HB VAL 31 HB VAL 31 3.244 -3.385 -3.211 257 HG11 VAL 31 HG11 VAL 31 5.158 -1.855 -2.961 258 HG12 VAL 31 HG12 VAL 31 5.403 -2.421 -1.308 259 HG13 VAL 31 HG13 VAL 31 3.940 -1.529 -1.727 260 HG21 VAL 31 HG21 VAL 31 5.719 -4.762 -2.109 261 HG22 VAL 31 HG22 VAL 31 5.525 -4.187 -3.765 262 HG23 VAL 31 HG23 VAL 31 4.516 -5.502 -3.163 263 H ALA 32 HN ALA 32 3.222 -2.400 0.685 264 HA ALA 32 HA ALA 32 0.468 -1.926 1.072 265 HB1 ALA 32 HB1 ALA 32 2.496 -1.151 2.479 266 HB2 ALA 32 HB2 ALA 32 1.127 -0.044 2.358 267 HB3 ALA 32 HB3 ALA 32 2.571 0.222 1.378 268 H ASP 33 HN ASP 33 2.761 -0.312 -1.100 269 HA ASP 33 HA ASP 33 0.999 1.736 -2.025 270 HB2 ASP 33 HB2 ASP 33 3.469 0.402 -3.105 271 HB3 ASP 33 HB1 ASP 33 2.572 1.496 -4.155 272 H ASP 34 HN ASP 34 1.498 -1.600 -3.095 273 HA ASP 34 HA ASP 34 -0.063 -1.421 -5.493 274 HB2 ASP 34 HB2 ASP 34 0.891 -3.659 -3.731 275 HB3 ASP 34 HB1 ASP 34 -0.291 -4.017 -4.988 276 H ILE 35 HN ILE 35 -0.961 -2.435 -2.185 277 HA ILE 35 HA ILE 35 -3.796 -2.624 -3.061 278 HB ILE 35 HB ILE 35 -2.847 -4.445 -1.664 279 HG12 ILE 35 HG12 ILE 35 -4.903 -2.844 -0.120 280 HG13 ILE 35 HG11 ILE 35 -5.287 -3.734 -1.592 281 HG21 ILE 35 HG21 ILE 35 -2.714 -2.362 0.533 282 HG22 ILE 35 HG22 ILE 35 -1.303 -2.919 -0.368 283 HG23 ILE 35 HG23 ILE 35 -2.216 -4.051 0.628 284 HD11 ILE 35 HD11 ILE 35 -5.803 -5.157 0.295 285 HD12 ILE 35 HD12 ILE 35 -4.207 -4.882 0.994 286 HD13 ILE 35 HD13 ILE 35 -4.368 -5.805 -0.502 287 H LEU 36 HN LEU 36 -1.660 -0.408 -1.550 288 HA LEU 36 HA LEU 36 -3.993 1.178 -0.606 289 HB2 LEU 36 HB2 LEU 36 -1.908 0.241 0.971 290 HB3 LEU 36 HB1 LEU 36 -1.416 1.897 0.617 291 HG LEU 36 HG LEU 36 -2.767 1.892 2.624 292 HD11 LEU 36 HD11 LEU 36 -4.062 3.707 2.066 293 HD12 LEU 36 HD12 LEU 36 -4.788 2.909 0.678 294 HD13 LEU 36 HD13 LEU 36 -3.165 3.587 0.552 295 HD21 LEU 36 HD21 LEU 36 -4.079 -0.285 1.575 296 HD22 LEU 36 HD22 LEU 36 -5.278 0.981 1.307 297 HD23 LEU 36 HD23 LEU 36 -4.682 0.665 2.933 298 HA PRO 37 HA PRO 37 -2.425 3.547 -4.185 299 HB2 PRO 37 HB2 PRO 37 -4.562 5.352 -3.098 300 HB3 PRO 37 HB1 PRO 37 -4.233 4.881 -4.778 301 HG2 PRO 37 HG2 PRO 37 -6.246 3.796 -3.407 302 HG3 PRO 37 HG1 PRO 37 -5.286 2.838 -4.550 303 HD2 PRO 37 HD2 PRO 37 -5.261 2.799 -1.571 304 HD3 PRO 37 HD1 PRO 37 -4.900 1.488 -2.716 305 H ASP 38 HN ASP 38 -1.426 5.671 -4.392 306 HA ASP 38 HA ASP 38 0.222 6.395 -2.173 307 HB2 ASP 38 HB2 ASP 38 -0.438 7.805 -4.765 308 HB3 ASP 38 HB1 ASP 38 0.746 8.426 -3.615 309 H GLN 39 HN GLN 39 -2.967 7.248 -3.053 310 HA GLN 39 HA GLN 39 -3.402 9.821 -2.163 311 HB2 GLN 39 HB2 GLN 39 -5.161 8.224 -2.976 312 HB3 GLN 39 HB1 GLN 39 -5.121 7.447 -1.395 313 HG2 GLN 39 HG2 GLN 39 -6.957 9.042 -1.432 314 HG3 GLN 39 HG1 GLN 39 -5.703 9.650 -0.350 315 HE21 GLN 39 HE21 GLN 39 -6.028 11.911 -0.653 316 HE22 GLN 39 HE22 GLN 39 -5.843 12.683 -2.152 317 H TYR 40 HN TYR 40 -2.780 6.983 -0.161 318 HA TYR 40 HA TYR 40 -2.633 8.781 2.244 319 HB2 TYR 40 HB2 TYR 40 -3.598 5.942 1.933 320 HB3 TYR 40 HB1 TYR 40 -3.051 6.547 3.496 321 HD1 TYR 40 HD1 TYR 40 -4.240 8.399 4.614 322 HD2 TYR 40 HD2 TYR 40 -5.664 6.706 0.933 323 HE1 TYR 40 HE1 TYR 40 -6.438 9.494 4.964 324 HE2 TYR 40 HE2 TYR 40 -7.862 7.804 1.280 325 HH TYR 40 HH TYR 40 -8.827 9.646 2.490 326 H VAL 41 HN VAL 41 -0.801 7.186 0.044 327 HA VAL 41 HA VAL 41 1.394 6.743 2.034 328 HB VAL 41 HB VAL 41 0.998 5.083 -0.468 329 HG11 VAL 41 HG11 VAL 41 3.281 5.146 0.305 330 HG12 VAL 41 HG12 VAL 41 2.598 3.586 0.762 331 HG13 VAL 41 HG13 VAL 41 2.778 4.859 1.969 332 HG21 VAL 41 HG21 VAL 41 0.121 4.603 2.386 333 HG22 VAL 41 HG22 VAL 41 0.349 3.288 1.232 334 HG23 VAL 41 HG23 VAL 41 -0.864 4.530 0.924 335 H ARG 42 HN ARG 42 1.431 9.123 1.178 336 HA ARG 42 HA ARG 42 2.410 9.707 -1.446 337 HB2 ARG 42 HB2 ARG 42 2.661 11.150 1.202 338 HB3 ARG 42 HB1 ARG 42 3.251 11.831 -0.314 339 HG2 ARG 42 HG2 ARG 42 0.987 11.666 -1.274 340 HG3 ARG 42 HG1 ARG 42 0.393 10.969 0.233 341 HD2 ARG 42 HD2 ARG 42 1.708 13.692 0.041 342 HD3 ARG 42 HD1 ARG 42 -0.038 13.443 0.011 343 HE ARG 42 HE ARG 42 1.651 13.337 2.363 344 HH11 ARG 42 HH21 ARG 42 -1.181 12.050 0.841 345 HH12 ARG 42 HH22 ARG 42 -1.951 11.649 2.339 346 HH21 ARG 42 HH11 ARG 42 0.648 12.821 4.304 347 HH22 ARG 42 HH12 ARG 42 -0.919 12.084 4.295 348 H LEU 43 HN LEU 43 4.100 9.118 1.634 349 HA LEU 43 HA LEU 43 6.359 7.908 0.360 350 HB2 LEU 43 HB2 LEU 43 6.579 10.474 -0.130 351 HB3 LEU 43 HB1 LEU 43 7.025 10.590 1.571 352 HG LEU 43 HG LEU 43 8.685 8.613 0.969 353 HD11 LEU 43 HD11 LEU 43 9.545 8.854 -1.364 354 HD12 LEU 43 HD12 LEU 43 8.200 9.937 -1.721 355 HD13 LEU 43 HD13 LEU 43 7.890 8.251 -1.320 356 HD21 LEU 43 HD21 LEU 43 9.469 10.754 1.734 357 HD22 LEU 43 HD22 LEU 43 9.063 11.516 0.197 358 HD23 LEU 43 HD23 LEU 43 10.386 10.352 0.282 359 H GLY 44 HN GLY 44 4.457 7.741 2.692 360 HA2 GLY 44 HA2 GLY 44 6.011 8.105 5.113 361 HA3 GLY 44 HA1 GLY 44 4.490 7.225 4.986 362 HA PRO 45 HA PRO 45 8.038 4.241 5.833 363 HB2 PRO 45 HB2 PRO 45 5.907 3.094 7.589 364 HB3 PRO 45 HB1 PRO 45 7.617 3.405 7.951 365 HG2 PRO 45 HG2 PRO 45 5.679 4.946 8.953 366 HG3 PRO 45 HG1 PRO 45 7.243 5.624 8.462 367 HD2 PRO 45 HD2 PRO 45 4.603 5.745 7.036 368 HD3 PRO 45 HD1 PRO 45 5.877 6.980 7.157 369 H LEU 46 HN LEU 46 4.682 3.982 4.950 370 HA LEU 46 HA LEU 46 4.915 1.186 4.044 371 HB2 LEU 46 HB2 LEU 46 2.615 3.085 3.526 372 HB3 LEU 46 HB1 LEU 46 2.578 1.324 3.566 373 HG LEU 46 HG LEU 46 3.044 3.176 5.920 374 HD11 LEU 46 HD11 LEU 46 0.962 2.018 6.753 375 HD12 LEU 46 HD12 LEU 46 0.806 1.277 5.161 376 HD13 LEU 46 HD13 LEU 46 0.703 3.029 5.332 377 HD21 LEU 46 HD21 LEU 46 3.267 0.174 5.626 378 HD22 LEU 46 HD22 LEU 46 2.948 0.930 7.187 379 HD23 LEU 46 HD23 LEU 46 4.440 1.293 6.321 380 H SER 47 HN SER 47 6.328 3.731 2.919 381 HA SER 47 HA SER 47 5.462 4.280 0.292 382 HB2 SER 47 HB2 SER 47 8.232 4.171 1.494 383 HB3 SER 47 HB1 SER 47 7.938 4.725 -0.151 384 HG SER 47 HG SER 47 6.390 5.791 1.917 385 H ASN 48 HN ASN 48 7.470 1.620 1.498 386 HA ASN 48 HA ASN 48 6.795 0.048 -0.903 387 HB2 ASN 48 HB2 ASN 48 8.915 1.370 -1.423 388 HB3 ASN 48 HB1 ASN 48 9.702 0.438 -0.150 389 HD21 ASN 48 HD21 ASN 48 11.096 -0.526 -1.884 390 HD22 ASN 48 HD22 ASN 48 10.476 -1.771 -2.855 391 H LYS 49 HN LYS 49 6.457 0.057 2.110 392 HA LYS 49 HA LYS 49 7.996 -2.285 2.981 393 HB2 LYS 49 HB2 LYS 49 7.208 -0.265 4.434 394 HB3 LYS 49 HB1 LYS 49 5.667 -1.120 4.497 395 HG2 LYS 49 HG2 LYS 49 6.737 -3.083 5.456 396 HG3 LYS 49 HG1 LYS 49 8.331 -2.363 5.255 397 HD2 LYS 49 HD2 LYS 49 7.817 -1.986 7.528 398 HD3 LYS 49 HD1 LYS 49 7.459 -0.449 6.747 399 HE2 LYS 49 HE2 LYS 49 5.096 -0.918 6.734 400 HE3 LYS 49 HE1 LYS 49 5.365 -2.583 7.244 401 HZ1 LYS 49 HZ1 LYS 49 5.236 -1.894 9.322 402 HZ2 LYS 49 HZ2 LYS 49 5.092 -0.274 8.829 403 HZ3 LYS 49 HZ3 LYS 49 6.629 -0.952 9.094 404 H ILE 50 HN ILE 50 7.283 -4.343 3.086 405 HA ILE 50 HA ILE 50 4.842 -5.038 1.640 406 HB ILE 50 HB ILE 50 6.962 -6.688 3.036 407 HG12 ILE 50 HG12 ILE 50 7.492 -7.313 0.661 408 HG13 ILE 50 HG11 ILE 50 6.286 -6.144 0.129 409 HG21 ILE 50 HG21 ILE 50 4.998 -8.022 3.161 410 HG22 ILE 50 HG22 ILE 50 5.843 -8.587 1.720 411 HG23 ILE 50 HG23 ILE 50 4.455 -7.510 1.563 412 HD11 ILE 50 HD11 ILE 50 8.839 -5.453 0.305 413 HD12 ILE 50 HD12 ILE 50 8.439 -5.213 2.005 414 HD13 ILE 50 HD13 ILE 50 7.572 -4.316 0.757 415 H LEU 51 HN LEU 51 2.908 -5.274 2.559 416 HA LEU 51 HA LEU 51 2.735 -5.671 5.525 417 HB2 LEU 51 HB2 LEU 51 0.664 -4.511 3.643 418 HB3 LEU 51 HB1 LEU 51 0.562 -4.586 5.403 419 HG LEU 51 HG LEU 51 2.673 -3.068 3.837 420 HD11 LEU 51 HD11 LEU 51 0.312 -2.071 5.463 421 HD12 LEU 51 HD12 LEU 51 0.422 -2.041 3.702 422 HD13 LEU 51 HD13 LEU 51 1.521 -1.059 4.671 423 HD21 LEU 51 HD21 LEU 51 2.973 -2.078 6.256 424 HD22 LEU 51 HD22 LEU 51 3.711 -3.629 5.870 425 HD23 LEU 51 HD23 LEU 51 2.198 -3.575 6.773 426 H GLN 52 HN GLN 52 1.762 -7.439 6.284 427 HA GLN 52 HA GLN 52 1.006 -9.570 4.472 428 HB2 GLN 52 HB2 GLN 52 2.030 -9.791 6.823 429 HB3 GLN 52 HB1 GLN 52 0.407 -9.470 7.433 430 HG2 GLN 52 HG2 GLN 52 1.019 -11.664 5.432 431 HG3 GLN 52 HG1 GLN 52 0.986 -11.927 7.175 432 HE21 GLN 52 HE21 GLN 52 -1.227 -10.546 8.054 433 HE22 GLN 52 HE22 GLN 52 -2.630 -11.086 7.265 434 H THR 53 HN THR 53 -0.776 -9.014 3.275 435 HA THR 53 HA THR 53 -3.143 -7.843 4.552 436 HB THR 53 HB THR 53 -3.961 -7.529 2.373 437 HG1 THR 53 HG1 THR 53 -3.550 -8.885 0.737 438 HG21 THR 53 HG21 THR 53 -1.559 -6.554 2.888 439 HG22 THR 53 HG22 THR 53 -2.224 -6.438 1.260 440 HG23 THR 53 HG23 THR 53 -1.053 -7.697 1.646 441 H ASN 54 HN ASN 54 -5.253 -8.838 4.377 442 HA ASN 54 HA ASN 54 -5.354 -11.756 3.925 443 HB2 ASN 54 HB2 ASN 54 -6.499 -12.098 6.141 444 HB3 ASN 54 HB1 ASN 54 -4.789 -11.691 6.277 445 HD21 ASN 54 HD21 ASN 54 -4.277 -9.360 6.810 446 HD22 ASN 54 HD22 ASN 54 -5.412 -8.460 7.694 447 H THR 55 HN THR 55 -6.845 -11.617 2.343 448 HA THR 55 HA THR 55 -9.233 -9.893 2.698 449 HB THR 55 HB THR 55 -8.364 -11.550 0.321 450 HG1 THR 55 HG1 THR 55 -7.888 -9.360 -0.456 451 HG21 THR 55 HG21 THR 55 -10.730 -11.158 0.220 452 HG22 THR 55 HG22 THR 55 -9.978 -9.977 -0.851 453 HG23 THR 55 HG23 THR 55 -10.536 -9.486 0.748 454 H TYR 56 HN TYR 56 -11.262 -10.673 2.932 455 HA TYR 56 HA TYR 56 -11.557 -13.617 3.361 456 HB2 TYR 56 HB2 TYR 56 -13.186 -11.263 4.357 457 HB3 TYR 56 HB1 TYR 56 -13.619 -12.952 4.626 458 HD1 TYR 56 HD1 TYR 56 -11.145 -10.308 5.383 459 HD2 TYR 56 HD2 TYR 56 -12.389 -14.343 6.171 460 HE1 TYR 56 HE1 TYR 56 -9.598 -10.407 7.320 461 HE2 TYR 56 HE2 TYR 56 -10.844 -14.442 8.107 462 HH TYR 56 HH TYR 56 -9.440 -11.732 9.478 463 H TYR 57 HN TYR 57 -12.954 -14.735 2.057 464 HA TYR 57 HA TYR 57 -14.584 -13.139 0.102 465 HB2 TYR 57 HB2 TYR 57 -13.067 -15.727 -0.321 466 HB3 TYR 57 HB1 TYR 57 -14.204 -15.044 -1.483 467 HD1 TYR 57 HD2 TYR 57 -13.800 -12.707 -2.373 468 HD2 TYR 57 HD1 TYR 57 -10.835 -14.895 -0.166 469 HE1 TYR 57 HE2 TYR 57 -12.040 -11.194 -3.240 470 HE2 TYR 57 HE1 TYR 57 -9.073 -13.379 -1.034 471 HH TYR 57 HH TYR 57 -9.885 -10.697 -3.246 472 H SER 58 HN SER 58 -16.642 -13.552 0.038 473 HA SER 58 HA SER 58 -17.725 -16.140 1.041 474 HB2 SER 58 HB2 SER 58 -18.163 -13.454 2.161 475 HB3 SER 58 HB1 SER 58 -19.656 -14.323 1.825 476 HG SER 58 HG SER 58 -17.540 -15.675 3.060 477 H ASP 59 HN ASP 59 -19.924 -16.522 0.222 478 HA ASP 59 HA ASP 59 -20.168 -15.992 -2.574 479 HB2 ASP 59 HB2 ASP 59 -21.243 -17.926 -1.481 480 HB3 ASP 59 HB1 ASP 59 -22.291 -16.833 -0.577 481 H THR 60 HN THR 60 -21.907 -14.624 0.222 482 HA THR 60 HA THR 60 -23.486 -12.780 -1.311 483 HB THR 60 HB THR 60 -23.794 -11.635 0.914 484 HG1 THR 60 HG1 THR 60 -22.090 -11.933 2.127 485 HG21 THR 60 HG21 THR 60 -25.157 -13.608 0.171 486 HG22 THR 60 HG22 THR 60 -25.007 -13.472 1.923 487 HG23 THR 60 HG23 THR 60 -24.034 -14.652 1.043 488 H LEU 61 HN LEU 61 -20.297 -12.565 0.173 489 HA LEU 61 HA LEU 61 -19.907 -9.747 -0.154 490 HB2 LEU 61 HB2 LEU 61 -18.102 -12.124 0.193 491 HB3 LEU 61 HB1 LEU 61 -17.383 -10.573 -0.232 492 HG LEU 61 HG LEU 61 -17.537 -11.073 2.262 493 HD11 LEU 61 HD11 LEU 61 -19.157 -8.606 1.698 494 HD12 LEU 61 HD12 LEU 61 -17.532 -8.719 1.030 495 HD13 LEU 61 HD13 LEU 61 -17.777 -8.823 2.770 496 HD21 LEU 61 HD21 LEU 61 -19.950 -12.026 1.935 497 HD22 LEU 61 HD22 LEU 61 -20.456 -10.343 2.003 498 HD23 LEU 61 HD23 LEU 61 -19.620 -11.067 3.376 499 H HIS 62 HN HIS 62 -19.215 -12.486 -2.263 500 HA HIS 62 HA HIS 62 -17.913 -10.963 -4.312 501 HB2 HIS 62 HB2 HIS 62 -17.808 -13.454 -4.114 502 HB3 HIS 62 HB1 HIS 62 -19.502 -13.528 -4.600 503 HD1 HIS 62 HD1 HIS 62 -20.073 -12.735 -7.054 504 HD2 HIS 62 HD2 HIS 62 -15.998 -13.005 -6.221 505 HE1 HIS 62 HE1 HIS 62 -18.878 -12.639 -9.285 506 H LYS 63 HN LYS 63 -21.279 -11.954 -3.809 507 HA LYS 63 HA LYS 63 -22.315 -10.887 -6.255 508 HB2 LYS 63 HB2 LYS 63 -23.630 -11.372 -3.568 509 HB3 LYS 63 HB1 LYS 63 -24.516 -10.923 -5.027 510 HG2 LYS 63 HG2 LYS 63 -23.630 -12.926 -6.174 511 HG3 LYS 63 HG1 LYS 63 -22.764 -13.378 -4.706 512 HD2 LYS 63 HD2 LYS 63 -24.899 -13.547 -3.487 513 HD3 LYS 63 HD1 LYS 63 -25.773 -13.079 -4.946 514 HE2 LYS 63 HE2 LYS 63 -24.901 -15.069 -6.114 515 HE3 LYS 63 HE1 LYS 63 -24.025 -15.542 -4.659 516 HZ1 LYS 63 HZ1 LYS 63 -26.350 -16.532 -5.124 517 HZ2 LYS 63 HZ2 LYS 63 -26.921 -15.048 -4.527 518 HZ3 LYS 63 HZ3 LYS 63 -25.956 -16.045 -3.547 519 H SER 64 HN SER 64 -21.944 -9.473 -3.016 520 HA SER 64 HA SER 64 -23.215 -6.966 -3.702 521 HB2 SER 64 HB2 SER 64 -21.176 -7.405 -1.512 522 HB3 SER 64 HB1 SER 64 -22.454 -6.194 -1.563 523 HG SER 64 HG SER 64 -23.119 -8.911 -1.761 524 H ASN 65 HN ASN 65 -20.194 -8.331 -4.418 525 HA ASN 65 HA ASN 65 -18.420 -7.495 -5.704 526 HB2 ASN 65 HB2 ASN 65 -19.662 -4.739 -5.672 527 HB3 ASN 65 HB1 ASN 65 -18.656 -5.490 -6.909 528 HD21 ASN 65 HD21 ASN 65 -19.969 -8.002 -7.188 529 HD22 ASN 65 HD22 ASN 65 -21.527 -7.733 -7.803 530 H ILE 66 HN ILE 66 -18.786 -7.234 -2.689 531 HA ILE 66 HA ILE 66 -16.761 -5.080 -2.198 532 HB ILE 66 HB ILE 66 -18.930 -6.278 -0.474 533 HG12 ILE 66 HG12 ILE 66 -19.270 -3.804 -0.004 534 HG13 ILE 66 HG11 ILE 66 -18.048 -3.470 -1.222 535 HG21 ILE 66 HG21 ILE 66 -16.370 -4.959 0.420 536 HG22 ILE 66 HG22 ILE 66 -17.119 -6.430 1.029 537 HG23 ILE 66 HG23 ILE 66 -17.836 -4.862 1.396 538 HD11 ILE 66 HD11 ILE 66 -19.391 -4.207 -2.972 539 HD12 ILE 66 HD12 ILE 66 -20.594 -3.507 -1.894 540 HD13 ILE 66 HD13 ILE 66 -20.357 -5.253 -1.932 541 H TYR 67 HN TYR 67 -14.813 -5.636 -1.582 542 HA TYR 67 HA TYR 67 -14.334 -8.428 -0.611 543 HB2 TYR 67 HB2 TYR 67 -12.445 -6.828 -2.334 544 HB3 TYR 67 HB1 TYR 67 -12.284 -8.513 -1.832 545 HD1 TYR 67 HD1 TYR 67 -14.086 -10.187 -2.547 546 HD2 TYR 67 HD2 TYR 67 -13.695 -6.270 -4.267 547 HE1 TYR 67 HE1 TYR 67 -15.431 -10.912 -4.504 548 HE2 TYR 67 HE2 TYR 67 -15.036 -6.994 -6.221 549 HH TYR 67 HH TYR 67 -15.714 -10.238 -6.887 550 HA PRO 68 HA PRO 68 -12.638 -5.605 2.565 551 HB2 PRO 68 HB2 PRO 68 -13.247 -7.079 4.729 552 HB3 PRO 68 HB1 PRO 68 -14.495 -6.186 3.833 553 HG2 PRO 68 HG2 PRO 68 -13.816 -9.090 3.734 554 HG3 PRO 68 HG1 PRO 68 -15.406 -8.309 3.735 555 HD2 PRO 68 HD2 PRO 68 -14.103 -9.224 1.459 556 HD3 PRO 68 HD1 PRO 68 -15.375 -7.986 1.448 557 H PHE 69 HN PHE 69 -10.643 -5.564 3.552 558 HA PHE 69 HA PHE 69 -9.206 -8.065 4.095 559 HB2 PHE 69 HB2 PHE 69 -7.265 -7.558 2.769 560 HB3 PHE 69 HB1 PHE 69 -8.665 -7.521 1.703 561 HD1 PHE 69 HD2 PHE 69 -6.138 -5.472 3.460 562 HD2 PHE 69 HD1 PHE 69 -9.464 -5.436 0.739 563 HE1 PHE 69 HE2 PHE 69 -5.563 -3.153 2.786 564 HE2 PHE 69 HE1 PHE 69 -8.883 -3.121 0.065 565 HZ PHE 69 HZ PHE 69 -6.935 -1.980 1.085 566 H ILE 70 HN ILE 70 -7.272 -7.707 5.353 567 HA ILE 70 HA ILE 70 -7.193 -5.031 6.699 568 HB ILE 70 HB ILE 70 -7.050 -7.757 8.011 569 HG12 ILE 70 HG12 ILE 70 -9.037 -5.506 8.413 570 HG13 ILE 70 HG11 ILE 70 -9.321 -6.851 7.308 571 HG21 ILE 70 HG21 ILE 70 -6.526 -4.950 8.999 572 HG22 ILE 70 HG22 ILE 70 -5.553 -6.400 9.231 573 HG23 ILE 70 HG23 ILE 70 -7.071 -6.212 10.107 574 HD11 ILE 70 HD11 ILE 70 -9.274 -8.445 9.085 575 HD12 ILE 70 HD12 ILE 70 -10.284 -7.118 9.659 576 HD13 ILE 70 HD13 ILE 70 -8.618 -7.264 10.218 577 H LEU 71 HN LEU 71 -5.178 -4.361 7.403 578 HA LEU 71 HA LEU 71 -2.865 -5.815 6.193 579 HB2 LEU 71 HB2 LEU 71 -3.028 -2.954 7.189 580 HB3 LEU 71 HB1 LEU 71 -1.711 -3.671 6.261 581 HG LEU 71 HG LEU 71 -4.564 -3.264 5.312 582 HD11 LEU 71 HD11 LEU 71 -2.027 -2.082 4.170 583 HD12 LEU 71 HD12 LEU 71 -2.934 -1.273 5.446 584 HD13 LEU 71 HD13 LEU 71 -3.692 -1.579 3.883 585 HD21 LEU 71 HD21 LEU 71 -3.380 -3.991 3.078 586 HD22 LEU 71 HD22 LEU 71 -3.901 -5.232 4.216 587 HD23 LEU 71 HD23 LEU 71 -2.206 -4.743 4.159 588 H TYR 72 HN TYR 72 -1.457 -6.776 7.489 589 HA TYR 72 HA TYR 72 -1.384 -6.024 10.382 590 HB2 TYR 72 HB2 TYR 72 -1.192 -8.737 9.079 591 HB3 TYR 72 HB1 TYR 72 -0.710 -8.442 10.749 592 HD1 TYR 72 HD1 TYR 72 -2.508 -7.024 12.156 593 HD2 TYR 72 HD2 TYR 72 -3.397 -9.445 8.719 594 HE1 TYR 72 HE1 TYR 72 -4.866 -7.200 12.889 595 HE2 TYR 72 HE2 TYR 72 -5.760 -9.617 9.456 596 HH TYR 72 HH TYR 72 -6.855 -9.283 12.200 597 H TYR 73 HN TYR 73 0.575 -5.812 11.323 598 HA TYR 73 HA TYR 73 3.017 -6.467 9.759 599 HB2 TYR 73 HB2 TYR 73 2.475 -4.096 9.274 600 HB3 TYR 73 HB1 TYR 73 2.480 -3.754 11.005 601 HD1 TYR 73 HD2 TYR 73 4.600 -5.049 8.217 602 HD2 TYR 73 HD1 TYR 73 4.513 -3.318 12.148 603 HE1 TYR 73 HE2 TYR 73 7.062 -4.762 8.146 604 HE2 TYR 73 HE1 TYR 73 6.975 -3.033 12.077 605 HH TYR 73 HH TYR 73 8.896 -4.311 9.397 606 H GLN 74 HN GLN 74 4.418 -7.478 11.038 607 HA GLN 74 HA GLN 74 5.535 -8.240 12.944 608 HB2 GLN 74 HB2 GLN 74 5.765 -5.685 13.253 609 HB3 GLN 74 HB1 GLN 74 4.445 -5.831 14.411 610 HG2 GLN 74 HG2 GLN 74 6.491 -5.982 15.658 611 HG3 GLN 74 HG1 GLN 74 5.798 -7.604 15.599 612 HE21 GLN 74 HE21 GLN 74 7.932 -5.633 13.430 613 HE22 GLN 74 HE22 GLN 74 9.047 -6.885 13.167 614 H LYS 75 HN LYS 75 2.710 -6.602 14.343 615 HA LYS 75 HA LYS 75 1.363 -9.119 14.930 616 HB2 LYS 75 HB2 LYS 75 3.091 -9.030 16.732 617 HB3 LYS 75 HB1 LYS 75 2.458 -7.459 17.224 618 HG2 LYS 75 HG2 LYS 75 0.264 -8.473 17.690 619 HG3 LYS 75 HG1 LYS 75 0.872 -10.046 17.171 620 HD2 LYS 75 HD2 LYS 75 2.570 -9.980 18.968 621 HD3 LYS 75 HD1 LYS 75 1.943 -8.418 19.496 622 HE2 LYS 75 HE2 LYS 75 -0.249 -9.437 19.959 623 HE3 LYS 75 HE1 LYS 75 0.353 -11.001 19.407 624 HZ1 LYS 75 HZ1 LYS 75 0.890 -9.571 21.884 625 HZ2 LYS 75 HZ2 LYS 75 2.207 -10.392 21.194 626 HZ3 LYS 75 HZ3 LYS 75 0.789 -11.239 21.593 627 H GLN 76 HN GLN 76 1.678 -5.635 15.360 628 HA GLN 76 HA GLN 76 -1.177 -5.331 16.043 629 HB2 GLN 76 HB2 GLN 76 0.523 -3.898 17.130 630 HB3 GLN 76 HB1 GLN 76 0.949 -3.230 15.554 631 HG2 GLN 76 HG2 GLN 76 -1.310 -2.343 15.273 632 HG3 GLN 76 HG1 GLN 76 -1.819 -3.097 16.783 633 HE21 GLN 76 HE21 GLN 76 -1.808 -1.674 18.518 634 HE22 GLN 76 HE22 GLN 76 -0.789 -0.325 18.670 635 H LEU 77 HN LEU 77 -2.675 -4.230 14.747 636 HA LEU 77 HA LEU 77 -2.370 -4.641 11.897 637 HB2 LEU 77 HB2 LEU 77 -4.640 -3.877 11.724 638 HB3 LEU 77 HB1 LEU 77 -4.512 -4.910 13.147 639 HG LEU 77 HG LEU 77 -3.916 -2.397 14.200 640 HD11 LEU 77 HD11 LEU 77 -6.117 -2.084 12.136 641 HD12 LEU 77 HD12 LEU 77 -4.546 -1.285 12.105 642 HD13 LEU 77 HD13 LEU 77 -5.707 -0.897 13.375 643 HD21 LEU 77 HD21 LEU 77 -6.200 -2.494 15.161 644 HD22 LEU 77 HD22 LEU 77 -5.406 -4.067 15.219 645 HD23 LEU 77 HD23 LEU 77 -6.631 -3.745 13.992 646 H ILE 78 HN ILE 78 -2.427 -3.042 10.271 647 HA ILE 78 HA ILE 78 -1.260 -0.424 11.102 648 HB ILE 78 HB ILE 78 -1.401 -1.774 8.393 649 HG12 ILE 78 HG12 ILE 78 0.098 -2.954 9.927 650 HG13 ILE 78 HG11 ILE 78 1.042 -2.097 8.711 651 HG21 ILE 78 HG21 ILE 78 -1.334 0.609 8.090 652 HG22 ILE 78 HG22 ILE 78 0.298 0.004 7.801 653 HG23 ILE 78 HG23 ILE 78 -0.095 0.786 9.333 654 HD11 ILE 78 HD11 ILE 78 1.016 -0.163 10.563 655 HD12 ILE 78 HD12 ILE 78 2.193 -1.473 10.628 656 HD13 ILE 78 HD13 ILE 78 0.752 -1.534 11.638 657 H ALA 79 HN ALA 79 -3.670 -1.754 8.819 658 HA ALA 79 HA ALA 79 -5.469 0.490 9.417 659 HB1 ALA 79 HB1 ALA 79 -4.396 0.109 6.614 660 HB2 ALA 79 HB2 ALA 79 -3.973 1.443 7.688 661 HB3 ALA 79 HB3 ALA 79 -5.629 1.267 7.104 662 H ILE 80 HN ILE 80 -7.565 0.219 8.359 663 HA ILE 80 HA ILE 80 -8.090 -2.563 7.383 664 HB ILE 80 HB ILE 80 -9.707 -1.005 9.419 665 HG12 ILE 80 HG12 ILE 80 -8.340 -3.689 9.704 666 HG13 ILE 80 HG11 ILE 80 -7.542 -2.181 10.137 667 HG21 ILE 80 HG21 ILE 80 -10.205 -3.563 7.888 668 HG22 ILE 80 HG22 ILE 80 -11.285 -2.191 8.117 669 HG23 ILE 80 HG23 ILE 80 -10.955 -3.284 9.460 670 HD11 ILE 80 HD11 ILE 80 -10.098 -3.292 11.317 671 HD12 ILE 80 HD12 ILE 80 -9.480 -1.674 11.654 672 HD13 ILE 80 HD13 ILE 80 -8.547 -3.092 12.131 673 H GLY 81 HN GLY 81 -9.456 -2.685 5.663 674 HA2 GLY 81 HA2 GLY 81 -11.397 -0.626 5.036 675 HA3 GLY 81 HA1 GLY 81 -9.963 -0.471 4.025 676 H PHE 82 HN PHE 82 -12.022 -0.927 2.558 677 HA PHE 82 HA PHE 82 -11.739 -3.744 1.703 678 HB2 PHE 82 HB2 PHE 82 -14.144 -4.107 1.534 679 HB3 PHE 82 HB1 PHE 82 -13.736 -3.688 3.194 680 HD1 PHE 82 HD1 PHE 82 -14.290 -1.455 4.111 681 HD2 PHE 82 HD2 PHE 82 -15.448 -2.617 0.139 682 HE1 PHE 82 HE1 PHE 82 -15.920 0.416 4.036 683 HE2 PHE 82 HE2 PHE 82 -17.070 -0.743 0.065 684 HZ PHE 82 HZ PHE 82 -17.307 0.773 2.013 685 H ILE 83 HN ILE 83 -12.580 -4.090 -0.496 686 HA ILE 83 HA ILE 83 -12.078 -1.688 -2.157 687 HB ILE 83 HB ILE 83 -12.386 -4.591 -2.967 688 HG12 ILE 83 HG12 ILE 83 -9.856 -2.939 -2.772 689 HG13 ILE 83 HG11 ILE 83 -10.390 -4.026 -1.490 690 HG21 ILE 83 HG21 ILE 83 -12.881 -3.105 -4.815 691 HG22 ILE 83 HG22 ILE 83 -11.260 -3.756 -5.058 692 HG23 ILE 83 HG23 ILE 83 -11.470 -2.114 -4.450 693 HD11 ILE 83 HD11 ILE 83 -8.808 -5.212 -2.909 694 HD12 ILE 83 HD12 ILE 83 -9.728 -4.782 -4.349 695 HD13 ILE 83 HD13 ILE 83 -10.415 -5.892 -3.164 696 H ASP 84 HN ASP 84 -13.713 -0.576 -2.982 697 HA ASP 84 HA ASP 84 -16.455 -1.614 -2.852 698 HB2 ASP 84 HB2 ASP 84 -15.367 1.030 -3.866 699 HB3 ASP 84 HB1 ASP 84 -17.075 0.647 -3.651 700 H GLU 85 HN GLU 85 -17.685 -2.195 -4.590 701 HA GLU 85 HA GLU 85 -18.055 -3.123 -6.715 702 HB2 GLU 85 HB2 GLU 85 -16.667 -0.522 -7.419 703 HB3 GLU 85 HB1 GLU 85 -17.526 -1.534 -8.581 704 HG2 GLU 85 HG2 GLU 85 -18.781 -0.381 -6.075 705 HG3 GLU 85 HG1 GLU 85 -18.924 0.344 -7.676 706 H ASN 86 HN ASN 86 -15.177 -1.497 -7.840 707 HA ASN 86 HA ASN 86 -13.563 -3.967 -7.715 708 HB2 ASN 86 HB2 ASN 86 -14.940 -4.042 -9.847 709 HB3 ASN 86 HB1 ASN 86 -14.088 -2.588 -10.363 710 HD21 ASN 86 HD21 ASN 86 -12.835 -3.549 -12.058 711 HD22 ASN 86 HD22 ASN 86 -11.662 -4.741 -11.770 712 H HIS 87 HN HIS 87 -13.724 -0.897 -6.980 713 HA HIS 87 HA HIS 87 -10.864 -0.483 -7.022 714 HB2 HIS 87 HB2 HIS 87 -11.384 0.093 -9.388 715 HB3 HIS 87 HB1 HIS 87 -12.497 1.336 -8.815 716 HD1 HIS 87 HD1 HIS 87 -8.850 0.384 -8.143 717 HD2 HIS 87 HD2 HIS 87 -11.228 3.776 -8.616 718 HE1 HIS 87 HE1 HIS 87 -7.299 2.377 -7.963 719 H ASP 88 HN ASP 88 -10.414 1.926 -6.353 720 HA ASP 88 HA ASP 88 -10.610 3.499 -4.649 721 HB2 ASP 88 HB2 ASP 88 -13.490 3.257 -5.543 722 HB3 ASP 88 HB1 ASP 88 -12.962 4.422 -4.329 723 H MET 89 HN MET 89 -9.923 2.198 -2.954 724 HA MET 89 HA MET 89 -11.864 0.533 -1.510 725 HB2 MET 89 HB2 MET 89 -9.029 1.119 -0.662 726 HB3 MET 89 HB1 MET 89 -10.010 -0.296 -0.278 727 HG2 MET 89 HG2 MET 89 -8.630 -1.120 -1.982 728 HG3 MET 89 HG1 MET 89 -10.062 -0.634 -2.886 729 HE1 MET 89 HE1 MET 89 -8.487 -1.020 -4.724 730 HE2 MET 89 HE2 MET 89 -6.829 -0.870 -4.145 731 HE3 MET 89 HE3 MET 89 -7.410 0.202 -5.414 732 H ASP 90 HN ASP 90 -12.902 1.091 0.290 733 HA ASP 90 HA ASP 90 -12.649 3.855 1.279 734 HB2 ASP 90 HB2 ASP 90 -14.615 1.616 1.739 735 HB3 ASP 90 HB1 ASP 90 -14.644 3.075 2.725 736 H PHE 91 HN PHE 91 -12.032 4.427 3.323 737 HA PHE 91 HA PHE 91 -10.515 2.376 4.844 738 HB2 PHE 91 HB2 PHE 91 -10.489 5.399 5.023 739 HB3 PHE 91 HB1 PHE 91 -9.419 4.310 5.905 740 HD1 PHE 91 HD1 PHE 91 -7.691 3.011 4.731 741 HD2 PHE 91 HD2 PHE 91 -10.211 5.773 2.621 742 HE1 PHE 91 HE1 PHE 91 -6.141 2.945 2.803 743 HE2 PHE 91 HE2 PHE 91 -8.667 5.696 0.681 744 HZ PHE 91 HZ PHE 91 -6.636 4.289 0.772 745 H LEU 92 HN LEU 92 -10.942 1.861 6.901 746 HA LEU 92 HA LEU 92 -13.320 3.082 8.262 747 HB2 LEU 92 HB2 LEU 92 -12.141 0.300 8.596 748 HB3 LEU 92 HB1 LEU 92 -13.603 0.905 9.370 749 HG LEU 92 HG LEU 92 -13.193 0.568 6.382 750 HD11 LEU 92 HD11 LEU 92 -14.729 -1.278 6.538 751 HD12 LEU 92 HD12 LEU 92 -15.072 -0.927 8.231 752 HD13 LEU 92 HD13 LEU 92 -13.489 -1.542 7.763 753 HD21 LEU 92 HD21 LEU 92 -15.406 1.743 8.062 754 HD22 LEU 92 HD22 LEU 92 -15.786 0.972 6.522 755 HD23 LEU 92 HD23 LEU 92 -14.702 2.356 6.565 756 H TYR 93 HN TYR 93 -10.032 1.901 8.510 757 HA TYR 93 HA TYR 93 -9.589 3.593 10.898 758 HB2 TYR 93 HB2 TYR 93 -10.204 1.303 11.729 759 HB3 TYR 93 HB1 TYR 93 -8.826 0.657 10.840 760 HD1 TYR 93 HD1 TYR 93 -9.795 3.078 13.503 761 HD2 TYR 93 HD2 TYR 93 -6.627 0.765 11.750 762 HE1 TYR 93 HE1 TYR 93 -8.313 3.668 15.400 763 HE2 TYR 93 HE2 TYR 93 -5.144 1.359 13.650 764 HH TYR 93 HH TYR 93 -5.454 2.070 16.069 765 H LEU 94 HN LEU 94 -7.732 4.702 10.528 766 HA LEU 94 HA LEU 94 -5.693 3.451 8.728 767 HB2 LEU 94 HB2 LEU 94 -7.152 5.510 7.893 768 HB3 LEU 94 HB1 LEU 94 -6.017 6.439 8.870 769 HG LEU 94 HG LEU 94 -5.160 6.312 6.594 770 HD11 LEU 94 HD11 LEU 94 -3.603 5.999 8.626 771 HD12 LEU 94 HD12 LEU 94 -2.971 5.514 7.052 772 HD13 LEU 94 HD13 LEU 94 -3.565 4.294 8.175 773 HD21 LEU 94 HD21 LEU 94 -4.750 3.368 6.589 774 HD22 LEU 94 HD22 LEU 94 -5.240 4.436 5.277 775 HD23 LEU 94 HD23 LEU 94 -6.432 3.871 6.443 776 H HIS 95 HN HIS 95 -3.977 2.985 9.856 777 HA HIS 95 HA HIS 95 -2.831 5.007 11.702 778 HB2 HIS 95 HB2 HIS 95 -4.050 3.477 13.159 779 HB3 HIS 95 HB1 HIS 95 -3.288 2.091 12.379 780 HD1 HIS 95 HD1 HIS 95 -0.978 1.426 13.176 781 HD2 HIS 95 HD2 HIS 95 -2.171 5.128 14.676 782 HE1 HIS 95 HE1 HIS 95 0.765 2.101 14.883 783 H ASN 96 HN ASN 96 -1.036 5.429 10.485 784 HA ASN 96 HA ASN 96 0.495 3.157 9.320 785 HB2 ASN 96 HB2 ASN 96 0.634 6.157 8.956 786 HB3 ASN 96 HB1 ASN 96 1.855 5.068 8.304 787 HD21 ASN 96 HD21 ASN 96 0.261 6.601 6.534 788 HD22 ASN 96 HD22 ASN 96 -0.788 5.562 5.697 789 H THR 97 HN THR 97 1.569 2.272 11.030 790 HA THR 97 HA THR 97 2.890 2.201 13.006 791 HB THR 97 HB THR 97 5.203 2.690 12.407 792 HG1 THR 97 HG1 THR 97 4.694 4.738 11.429 793 HG21 THR 97 HG21 THR 97 4.335 0.695 11.393 794 HG22 THR 97 HG22 THR 97 5.242 1.542 10.141 795 HG23 THR 97 HG23 THR 97 3.481 1.620 10.158 796 H VAL 98 HN VAL 98 1.809 3.564 14.473 797 HA VAL 98 HA VAL 98 1.563 5.389 15.891 798 HB VAL 98 HB VAL 98 4.394 6.081 15.071 799 HG11 VAL 98 HG11 VAL 98 2.674 6.604 17.505 800 HG12 VAL 98 HG12 VAL 98 3.504 7.777 16.482 801 HG13 VAL 98 HG13 VAL 98 4.431 6.732 17.559 802 HG21 VAL 98 HG21 VAL 98 3.338 3.984 16.984 803 HG22 VAL 98 HG22 VAL 98 4.999 4.579 17.036 804 HG23 VAL 98 HG23 VAL 98 4.405 3.736 15.605 805 H MET 99 HN MET 99 0.212 5.991 13.759 806 HA MET 99 HA MET 99 0.433 8.838 13.502 807 HB2 MET 99 HB2 MET 99 2.305 7.963 11.969 808 HB3 MET 99 HB1 MET 99 1.014 7.396 10.918 809 HG2 MET 99 HG2 MET 99 1.682 9.600 10.163 810 HG3 MET 99 HG1 MET 99 0.089 9.736 10.904 811 HE1 MET 99 HE1 MET 99 3.619 11.379 10.862 812 HE2 MET 99 HE2 MET 99 3.764 9.712 11.415 813 HE3 MET 99 HE3 MET 99 4.148 11.035 12.514 814 HA PRO 100 HA PRO 100 -3.695 7.011 12.412 815 HB2 PRO 100 HB2 PRO 100 -5.175 8.414 14.219 816 HB3 PRO 100 HB1 PRO 100 -4.309 6.924 14.646 817 HG2 PRO 100 HG2 PRO 100 -3.573 9.760 15.180 818 HG3 PRO 100 HG1 PRO 100 -3.350 8.326 16.197 819 HD2 PRO 100 HD2 PRO 100 -1.348 9.484 14.663 820 HD3 PRO 100 HD1 PRO 100 -1.328 7.797 15.214 821 H LEU 101 HN LEU 101 -4.179 7.930 10.463 822 HA LEU 101 HA LEU 101 -4.291 10.865 10.168 823 HB2 LEU 101 HB2 LEU 101 -4.965 8.783 8.078 824 HB3 LEU 101 HB1 LEU 101 -4.437 10.444 7.818 825 HG LEU 101 HG LEU 101 -2.777 8.185 8.982 826 HD11 LEU 101 HD11 LEU 101 -1.358 8.708 6.945 827 HD12 LEU 101 HD12 LEU 101 -2.684 9.720 6.370 828 HD13 LEU 101 HD13 LEU 101 -2.927 7.987 6.588 829 HD21 LEU 101 HD21 LEU 101 -2.252 11.149 8.680 830 HD22 LEU 101 HD22 LEU 101 -0.936 9.979 8.791 831 HD23 LEU 101 HD23 LEU 101 -2.077 10.151 10.124 832 H LEU 102 HN LEU 102 -6.438 8.384 11.031 833 HA LEU 102 HA LEU 102 -8.753 10.204 10.598 834 HB2 LEU 102 HB2 LEU 102 -8.619 7.313 9.702 835 HB3 LEU 102 HB1 LEU 102 -10.128 8.209 9.857 836 HG LEU 102 HG LEU 102 -7.801 9.076 8.115 837 HD11 LEU 102 HD11 LEU 102 -10.423 7.864 7.222 838 HD12 LEU 102 HD12 LEU 102 -8.943 6.926 7.413 839 HD13 LEU 102 HD13 LEU 102 -9.012 8.230 6.230 840 HD21 LEU 102 HD21 LEU 102 -9.887 10.395 7.093 841 HD22 LEU 102 HD22 LEU 102 -9.006 11.039 8.474 842 HD23 LEU 102 HD23 LEU 102 -10.531 10.190 8.724 843 H ASP 103 HN ASP 103 -8.399 6.825 11.630 844 HA ASP 103 HA ASP 103 -9.056 5.760 13.606 845 HB2 ASP 103 HB2 ASP 103 -7.180 7.252 14.429 846 HB3 ASP 103 HB1 ASP 103 -8.413 8.407 14.934 847 H GLN 104 HN GLN 104 -11.072 7.133 12.039 848 HA GLN 104 HA GLN 104 -12.883 8.570 13.765 849 HB2 GLN 104 HB2 GLN 104 -13.277 7.134 11.129 850 HB3 GLN 104 HB1 GLN 104 -14.549 8.064 11.922 851 HG2 GLN 104 HG2 GLN 104 -13.151 10.075 11.863 852 HG3 GLN 104 HG1 GLN 104 -11.828 9.158 11.149 853 HE21 GLN 104 HE21 GLN 104 -12.389 11.124 9.509 854 HE22 GLN 104 HE22 GLN 104 -13.428 10.690 8.240 855 H ARG 105 HN ARG 105 -13.849 7.684 15.448 856 HA ARG 105 HA ARG 105 -14.220 4.822 15.752 857 HB2 ARG 105 HB2 ARG 105 -15.283 7.146 17.382 858 HB3 ARG 105 HB1 ARG 105 -15.278 5.458 17.892 859 HG2 ARG 105 HG2 ARG 105 -12.721 6.856 17.087 860 HG3 ARG 105 HG1 ARG 105 -13.345 6.973 18.732 861 HD2 ARG 105 HD2 ARG 105 -12.625 4.408 17.267 862 HD3 ARG 105 HD1 ARG 105 -11.746 5.133 18.612 863 HE ARG 105 HE ARG 105 -14.375 4.757 19.521 864 HH11 ARG 105 HH21 ARG 105 -11.746 2.863 18.315 865 HH12 ARG 105 HH22 ARG 105 -12.176 1.458 19.233 866 HH21 ARG 105 HH11 ARG 105 -14.941 2.935 20.706 867 HH22 ARG 105 HH12 ARG 105 -13.979 1.500 20.584 868 H TYR 106 HN TYR 106 -16.356 7.571 15.107 869 HA TYR 106 HA TYR 106 -18.815 6.134 15.228 870 HB2 TYR 106 HB2 TYR 106 -19.772 7.997 13.998 871 HB3 TYR 106 HB1 TYR 106 -18.593 8.638 15.140 872 HD1 TYR 106 HD2 TYR 106 -19.241 7.857 11.581 873 HD2 TYR 106 HD1 TYR 106 -16.531 9.657 14.387 874 HE1 TYR 106 HE2 TYR 106 -18.009 8.919 9.709 875 HE2 TYR 106 HE1 TYR 106 -15.302 10.722 12.515 876 HH TYR 106 HH TYR 106 -16.190 10.079 9.131 877 H LEU 107 HN LEU 107 -16.616 6.782 12.524 878 HA LEU 107 HA LEU 107 -18.197 5.491 10.527 879 HB2 LEU 107 HB2 LEU 107 -16.315 6.997 9.967 880 HB3 LEU 107 HB1 LEU 107 -15.183 5.849 10.675 881 HG LEU 107 HG LEU 107 -15.829 4.157 9.003 882 HD11 LEU 107 HD11 LEU 107 -17.228 5.200 7.010 883 HD12 LEU 107 HD12 LEU 107 -17.833 6.278 8.268 884 HD13 LEU 107 HD13 LEU 107 -18.054 4.535 8.418 885 HD21 LEU 107 HD21 LEU 107 -14.846 5.253 7.037 886 HD22 LEU 107 HD22 LEU 107 -13.991 5.743 8.499 887 HD23 LEU 107 HD23 LEU 107 -15.153 6.838 7.748 888 H LEU 108 HN LEU 108 -15.696 4.331 12.733 889 HA LEU 108 HA LEU 108 -15.363 1.733 11.645 890 HB2 LEU 108 HB2 LEU 108 -14.121 3.044 13.607 891 HB3 LEU 108 HB1 LEU 108 -15.250 2.150 14.621 892 HG LEU 108 HG LEU 108 -13.358 0.935 12.593 893 HD11 LEU 108 HD11 LEU 108 -12.130 1.720 14.518 894 HD12 LEU 108 HD12 LEU 108 -12.285 -0.032 14.644 895 HD13 LEU 108 HD13 LEU 108 -13.315 1.016 15.619 896 HD21 LEU 108 HD21 LEU 108 -14.125 -1.191 13.942 897 HD22 LEU 108 HD22 LEU 108 -15.156 -0.558 12.662 898 HD23 LEU 108 HD23 LEU 108 -15.531 -0.201 14.345 899 H THR 109 HN THR 109 -17.593 2.873 14.185 900 HA THR 109 HA THR 109 -19.177 0.351 13.808 901 HB THR 109 HB THR 109 -18.227 0.287 16.012 902 HG1 THR 109 HG1 THR 109 -20.074 -0.042 16.992 903 HG21 THR 109 HG21 THR 109 -18.634 2.177 17.610 904 HG22 THR 109 HG22 THR 109 -19.237 3.129 16.254 905 HG23 THR 109 HG23 THR 109 -17.557 2.594 16.277 906 H GLY 110 HN GLY 110 -19.442 2.782 12.302 907 HA2 GLY 110 HA2 GLY 110 -21.546 4.456 13.286 908 HA3 GLY 110 HA1 GLY 110 -21.090 4.283 11.594 909 H GLY 111 HN GLY 111 -23.759 4.524 12.527 910 HA2 GLY 111 HA2 GLY 111 -25.122 2.603 11.019 911 HA3 GLY 111 HA1 GLY 111 -25.088 1.974 12.670 912 H GLN 112 HN GLN 112 -25.102 4.667 13.864 913 HA GLN 112 HA GLN 112 -27.992 5.049 13.908 914 HB2 GLN 112 HB2 GLN 112 -27.502 6.784 15.598 915 HB3 GLN 112 HB1 GLN 112 -26.679 5.269 15.962 916 HG2 GLN 112 HG2 GLN 112 -24.984 6.865 16.280 917 HG3 GLN 112 HG1 GLN 112 -24.678 6.296 14.641 918 HE21 GLN 112 HE21 GLN 112 -23.879 8.215 13.671 919 HE22 GLN 112 HE22 GLN 112 -24.755 9.666 13.597 920 H LEU 113 HN LEU 113 -29.166 6.696 13.046 921 HA LEU 113 HA LEU 113 -27.878 8.286 10.929 922 HB2 LEU 113 HB2 LEU 113 -30.725 7.746 11.762 923 HB3 LEU 113 HB1 LEU 113 -30.358 9.046 10.630 924 HG LEU 113 HG LEU 113 -29.203 7.440 9.156 925 HD11 LEU 113 HD11 LEU 113 -29.948 5.518 11.365 926 HD12 LEU 113 HD12 LEU 113 -28.363 5.793 10.642 927 HD13 LEU 113 HD13 LEU 113 -29.617 4.958 9.725 928 HD21 LEU 113 HD21 LEU 113 -32.015 6.674 9.993 929 HD22 LEU 113 HD22 LEU 113 -31.234 6.083 8.527 930 HD23 LEU 113 HD23 LEU 113 -31.558 7.806 8.720 931 H GLU 114 HN GLU 114 -27.383 10.377 11.094 932 HA GLU 114 HA GLU 114 -27.900 11.789 13.641 933 HB2 GLU 114 HB2 GLU 114 -26.293 13.449 12.746 934 HB3 GLU 114 HB1 GLU 114 -25.620 11.821 12.713 935 HG2 GLU 114 HG2 GLU 114 -26.251 11.616 10.324 936 HG3 GLU 114 HG1 GLU 114 -26.878 13.264 10.360 937 H HIS 115 HN HIS 115 -29.887 11.251 11.351 938 HA HIS 115 HA HIS 115 -31.656 12.375 10.326 939 HB2 HIS 115 HB2 HIS 115 -30.988 14.369 12.515 940 HB3 HIS 115 HB1 HIS 115 -32.422 14.468 11.495 941 HD1 HIS 115 HD1 HIS 115 -30.864 12.393 14.226 942 HD2 HIS 115 HD2 HIS 115 -34.423 12.529 12.055 943 HE1 HIS 115 HE1 HIS 115 -32.476 10.821 15.389 944 H HIS 116 HN HIS 116 -30.130 12.541 8.487 945 HA HIS 116 HA HIS 116 -28.593 14.890 7.945 946 HB2 HIS 116 HB2 HIS 116 -28.402 12.691 6.724 947 HB3 HIS 116 HB1 HIS 116 -29.928 13.064 5.926 948 HD1 HIS 116 HD1 HIS 116 -29.945 15.127 4.281 949 HD2 HIS 116 HD2 HIS 116 -26.174 14.109 5.737 950 HE1 HIS 116 HE1 HIS 116 -28.265 16.360 2.842 951 H HIS 117 HN HIS 117 -31.939 13.995 7.138 952 HA HIS 117 HA HIS 117 -32.465 16.403 5.626 953 HB2 HIS 117 HB2 HIS 117 -34.320 14.402 6.939 954 HB3 HIS 117 HB1 HIS 117 -34.870 15.719 5.904 955 HD1 HIS 117 HD1 HIS 117 -32.982 12.466 5.811 956 HD2 HIS 117 HD2 HIS 117 -34.310 15.377 3.138 957 HE1 HIS 117 HE1 HIS 117 -32.673 11.501 3.490 958 H HIS 118 HN HIS 118 -33.063 18.367 6.327 959 HA HIS 118 HA HIS 118 -33.211 18.865 9.235 960 HB2 HIS 118 HB2 HIS 118 -33.136 20.678 6.806 961 HB3 HIS 118 HB1 HIS 118 -33.294 21.284 8.455 962 HD1 HIS 118 HD1 HIS 118 -30.863 19.573 6.144 963 HD2 HIS 118 HD2 HIS 118 -30.937 21.083 10.028 964 HE1 HIS 118 HE1 HIS 118 -28.466 19.570 6.958 965 H HIS 119 HN HIS 119 -35.314 18.212 6.679 966 HA HIS 119 HA HIS 119 -37.558 19.877 7.249 967 HB2 HIS 119 HB2 HIS 119 -37.346 17.078 6.108 968 HB3 HIS 119 HB1 HIS 119 -38.872 17.956 6.206 969 HD1 HIS 119 HD1 HIS 119 -35.509 18.041 4.491 970 HD2 HIS 119 HD2 HIS 119 -39.165 20.039 4.321 971 HE1 HIS 119 HE1 HIS 119 -35.441 19.487 2.412 972 H HIS 120 HN HIS 120 -36.598 16.708 8.532 973 HA HIS 120 HA HIS 120 -38.908 16.332 10.193 974 HB2 HIS 120 HB2 HIS 120 -36.094 15.227 10.421 975 HB3 HIS 120 HB1 HIS 120 -37.467 14.652 11.366 976 HD1 HIS 120 HD1 HIS 120 -36.344 12.520 9.660 977 HD2 HIS 120 HD2 HIS 120 -39.085 15.258 8.118 978 HE1 HIS 120 HE1 HIS 120 -37.365 11.436 7.609 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -7.851 -10.095 15.377 2 H2 MET 1 HT2 MET 1 -9.256 -9.456 14.667 3 H3 MET 1 HT3 MET 1 -8.973 -11.130 14.639 4 HA MET 1 HA MET 1 -10.456 -11.020 16.345 5 HB2 MET 1 HB2 MET 1 -7.721 -10.532 17.557 6 HB3 MET 1 HB1 MET 1 -9.120 -11.063 18.485 7 HG2 MET 1 HG2 MET 1 -9.330 -13.052 17.023 8 HG3 MET 1 HG1 MET 1 -7.905 -12.532 16.126 9 HE1 MET 1 HE1 MET 1 -5.870 -11.853 17.100 10 HE2 MET 1 HE2 MET 1 -5.347 -13.528 16.976 11 HE3 MET 1 HE3 MET 1 -5.039 -12.623 18.456 12 H THR 2 HN THR 2 -11.114 -9.838 18.436 13 HA THR 2 HA THR 2 -12.093 -7.918 19.318 14 HB THR 2 HB THR 2 -10.531 -6.079 19.741 15 HG1 THR 2 HG1 THR 2 -8.684 -5.895 18.659 16 HG21 THR 2 HG21 THR 2 -10.356 -8.182 21.068 17 HG22 THR 2 HG22 THR 2 -8.815 -7.336 20.926 18 HG23 THR 2 HG23 THR 2 -9.132 -8.760 19.936 19 H LEU 3 HN LEU 3 -10.076 -6.087 17.112 20 HA LEU 3 HA LEU 3 -12.221 -4.496 16.144 21 HB2 LEU 3 HB2 LEU 3 -9.426 -4.980 15.071 22 HB3 LEU 3 HB1 LEU 3 -10.527 -3.790 14.396 23 HG LEU 3 HG LEU 3 -9.786 -3.835 17.334 24 HD11 LEU 3 HD11 LEU 3 -8.558 -2.143 15.136 25 HD12 LEU 3 HD12 LEU 3 -7.761 -3.523 15.897 26 HD13 LEU 3 HD13 LEU 3 -8.149 -2.090 16.851 27 HD21 LEU 3 HD21 LEU 3 -11.241 -1.946 15.477 28 HD22 LEU 3 HD22 LEU 3 -10.443 -1.325 16.912 29 HD23 LEU 3 HD23 LEU 3 -11.715 -2.519 17.074 30 H GLU 4 HN GLU 4 -10.564 -7.310 14.817 31 HA GLU 4 HA GLU 4 -11.767 -7.356 12.263 32 HB2 GLU 4 HB2 GLU 4 -9.844 -8.788 12.961 33 HB3 GLU 4 HB1 GLU 4 -10.946 -9.736 13.963 34 HG2 GLU 4 HG2 GLU 4 -12.272 -10.333 11.984 35 HG3 GLU 4 HG1 GLU 4 -11.230 -9.343 10.967 36 H LEU 5 HN LEU 5 -12.815 -8.709 15.366 37 HA LEU 5 HA LEU 5 -15.142 -10.050 14.414 38 HB2 LEU 5 HB2 LEU 5 -14.471 -8.859 17.128 39 HB3 LEU 5 HB1 LEU 5 -15.891 -9.851 16.822 40 HG LEU 5 HG LEU 5 -13.059 -10.768 16.238 41 HD11 LEU 5 HD11 LEU 5 -13.437 -12.206 18.307 42 HD12 LEU 5 HD12 LEU 5 -14.808 -11.162 18.679 43 HD13 LEU 5 HD13 LEU 5 -13.179 -10.488 18.618 44 HD21 LEU 5 HD21 LEU 5 -14.410 -13.034 16.481 45 HD22 LEU 5 HD22 LEU 5 -14.461 -12.143 14.971 46 HD23 LEU 5 HD23 LEU 5 -15.798 -12.021 16.112 47 H GLN 6 HN GLN 6 -14.615 -6.784 15.679 48 HA GLN 6 HA GLN 6 -17.349 -5.943 15.534 49 HB2 GLN 6 HB2 GLN 6 -14.732 -4.410 15.592 50 HB3 GLN 6 HB1 GLN 6 -16.312 -3.624 15.620 51 HG2 GLN 6 HG2 GLN 6 -16.909 -4.815 17.675 52 HG3 GLN 6 HG1 GLN 6 -15.386 -5.701 17.631 53 HE21 GLN 6 HE21 GLN 6 -16.539 -3.592 19.599 54 HE22 GLN 6 HE22 GLN 6 -15.278 -2.465 19.757 55 H LEU 7 HN LEU 7 -14.638 -5.859 13.278 56 HA LEU 7 HA LEU 7 -15.804 -4.186 11.306 57 HB2 LEU 7 HB2 LEU 7 -13.398 -4.803 11.355 58 HB3 LEU 7 HB1 LEU 7 -13.825 -6.454 10.917 59 HG LEU 7 HG LEU 7 -14.942 -5.538 8.847 60 HD11 LEU 7 HD11 LEU 7 -13.954 -3.164 8.266 61 HD12 LEU 7 HD12 LEU 7 -13.858 -2.988 10.014 62 HD13 LEU 7 HD13 LEU 7 -15.412 -3.289 9.240 63 HD21 LEU 7 HD21 LEU 7 -12.687 -4.854 7.766 64 HD22 LEU 7 HD22 LEU 7 -12.822 -6.468 8.459 65 HD23 LEU 7 HD23 LEU 7 -11.996 -5.194 9.354 66 H LYS 8 HN LYS 8 -15.881 -7.698 11.785 67 HA LYS 8 HA LYS 8 -17.274 -8.365 9.399 68 HB2 LYS 8 HB2 LYS 8 -16.123 -10.020 10.869 69 HB3 LYS 8 HB1 LYS 8 -17.377 -9.780 12.087 70 HG2 LYS 8 HG2 LYS 8 -19.093 -10.539 10.497 71 HG3 LYS 8 HG1 LYS 8 -17.863 -10.738 9.254 72 HD2 LYS 8 HD2 LYS 8 -16.716 -12.423 10.650 73 HD3 LYS 8 HD1 LYS 8 -17.962 -12.237 11.885 74 HE2 LYS 8 HE2 LYS 8 -19.677 -12.987 10.285 75 HE3 LYS 8 HE1 LYS 8 -18.447 -13.152 9.032 76 HZ1 LYS 8 HZ1 LYS 8 -17.369 -14.847 10.269 77 HZ2 LYS 8 HZ2 LYS 8 -19.018 -15.250 10.212 78 HZ3 LYS 8 HZ3 LYS 8 -18.350 -14.586 11.625 79 H HIS 9 HN HIS 9 -18.400 -7.604 12.679 80 HA HIS 9 HA HIS 9 -21.182 -7.953 12.150 81 HB2 HIS 9 HB2 HIS 9 -19.733 -6.308 14.247 82 HB3 HIS 9 HB1 HIS 9 -21.477 -6.575 14.231 83 HD1 HIS 9 HD1 HIS 9 -21.924 -9.414 13.780 84 HD2 HIS 9 HD2 HIS 9 -18.596 -8.153 15.946 85 HE1 HIS 9 HE1 HIS 9 -21.181 -11.397 15.171 86 H TYR 10 HN TYR 10 -19.026 -5.146 12.033 87 HA TYR 10 HA TYR 10 -20.995 -3.170 11.496 88 HB2 TYR 10 HB2 TYR 10 -18.747 -2.560 12.202 89 HB3 TYR 10 HB1 TYR 10 -18.053 -3.287 10.753 90 HD1 TYR 10 HD1 TYR 10 -20.286 -0.573 11.980 91 HD2 TYR 10 HD2 TYR 10 -17.993 -2.103 8.687 92 HE1 TYR 10 HE1 TYR 10 -20.619 1.559 10.757 93 HE2 TYR 10 HE2 TYR 10 -18.325 0.026 7.464 94 HH TYR 10 HH TYR 10 -18.865 2.626 8.419 95 H ILE 11 HN ILE 11 -18.874 -4.986 9.278 96 HA ILE 11 HA ILE 11 -19.912 -3.862 6.876 97 HB ILE 11 HB ILE 11 -18.503 -6.496 7.427 98 HG12 ILE 11 HG12 ILE 11 -17.525 -3.926 6.141 99 HG13 ILE 11 HG11 ILE 11 -17.273 -4.331 7.838 100 HG21 ILE 11 HG21 ILE 11 -19.711 -6.816 5.378 101 HG22 ILE 11 HG22 ILE 11 -18.066 -6.403 4.911 102 HG23 ILE 11 HG23 ILE 11 -19.335 -5.183 4.827 103 HD11 ILE 11 HD11 ILE 11 -15.287 -4.980 6.613 104 HD12 ILE 11 HD12 ILE 11 -16.253 -5.862 5.431 105 HD13 ILE 11 HD13 ILE 11 -16.138 -6.453 7.087 106 H THR 12 HN THR 12 -20.675 -6.854 8.616 107 HA THR 12 HA THR 12 -22.650 -7.807 6.793 108 HB THR 12 HB THR 12 -23.340 -9.237 8.760 109 HG1 THR 12 HG1 THR 12 -21.752 -7.362 9.996 110 HG21 THR 12 HG21 THR 12 -20.468 -9.015 7.870 111 HG22 THR 12 HG22 THR 12 -21.683 -10.199 7.390 112 HG23 THR 12 HG23 THR 12 -20.976 -10.268 9.002 113 H ASN 13 HN ASN 13 -22.853 -5.815 9.721 114 HA ASN 13 HA ASN 13 -25.691 -5.733 9.923 115 HB2 ASN 13 HB2 ASN 13 -23.490 -3.889 10.878 116 HB3 ASN 13 HB1 ASN 13 -25.191 -3.535 11.182 117 HD21 ASN 13 HD21 ASN 13 -23.377 -4.089 13.328 118 HD22 ASN 13 HD22 ASN 13 -23.833 -5.560 14.042 119 H LEU 14 HN LEU 14 -23.375 -3.616 8.246 120 HA LEU 14 HA LEU 14 -25.281 -1.687 7.386 121 HB2 LEU 14 HB2 LEU 14 -22.893 -1.183 7.380 122 HB3 LEU 14 HB1 LEU 14 -22.591 -2.462 6.202 123 HG LEU 14 HG LEU 14 -23.930 -1.279 4.525 124 HD11 LEU 14 HD11 LEU 14 -24.603 1.162 5.246 125 HD12 LEU 14 HD12 LEU 14 -24.558 0.496 6.878 126 HD13 LEU 14 HD13 LEU 14 -25.653 -0.185 5.673 127 HD21 LEU 14 HD21 LEU 14 -21.640 -0.624 4.507 128 HD22 LEU 14 HD22 LEU 14 -21.833 0.359 5.960 129 HD23 LEU 14 HD23 LEU 14 -22.557 0.882 4.439 130 H PHE 15 HN PHE 15 -24.003 -4.620 5.860 131 HA PHE 15 HA PHE 15 -25.909 -4.272 3.603 132 HB2 PHE 15 HB2 PHE 15 -23.440 -5.973 3.992 133 HB3 PHE 15 HB1 PHE 15 -24.563 -6.233 2.655 134 HD1 PHE 15 HD2 PHE 15 -24.910 -4.477 0.942 135 HD2 PHE 15 HD1 PHE 15 -22.001 -4.032 4.073 136 HE1 PHE 15 HE2 PHE 15 -23.849 -2.618 -0.309 137 HE2 PHE 15 HE1 PHE 15 -20.941 -2.172 2.821 138 HZ PHE 15 HZ PHE 15 -21.865 -1.464 0.631 139 H ASN 16 HN ASN 16 -26.179 -5.408 6.544 140 HA ASN 16 HA ASN 16 -27.285 -7.166 7.607 141 HB2 ASN 16 HB2 ASN 16 -29.508 -7.610 6.612 142 HB3 ASN 16 HB1 ASN 16 -29.142 -5.887 6.677 143 HD21 ASN 16 HD21 ASN 16 -29.642 -4.820 4.757 144 HD22 ASN 16 HD22 ASN 16 -29.611 -5.524 3.212 145 H LEU 17 HN LEU 17 -25.120 -8.220 6.408 146 HA LEU 17 HA LEU 17 -25.995 -10.510 4.787 147 HB2 LEU 17 HB2 LEU 17 -23.197 -9.742 5.661 148 HB3 LEU 17 HB1 LEU 17 -23.603 -10.941 4.464 149 HG LEU 17 HG LEU 17 -24.416 -8.047 4.213 150 HD11 LEU 17 HD11 LEU 17 -22.530 -7.758 2.704 151 HD12 LEU 17 HD12 LEU 17 -22.083 -9.455 2.878 152 HD13 LEU 17 HD13 LEU 17 -21.921 -8.355 4.247 153 HD21 LEU 17 HD21 LEU 17 -25.801 -9.348 2.814 154 HD22 LEU 17 HD22 LEU 17 -24.505 -10.473 2.415 155 HD23 LEU 17 HD23 LEU 17 -24.501 -8.849 1.739 156 HA PRO 18 HA PRO 18 -26.169 -13.323 8.174 157 HB2 PRO 18 HB2 PRO 18 -25.130 -15.595 6.954 158 HB3 PRO 18 HB1 PRO 18 -26.790 -15.012 6.748 159 HG2 PRO 18 HG2 PRO 18 -24.415 -14.624 4.977 160 HG3 PRO 18 HG1 PRO 18 -26.098 -14.990 4.545 161 HD2 PRO 18 HD2 PRO 18 -25.116 -12.525 4.311 162 HD3 PRO 18 HD1 PRO 18 -26.790 -12.779 4.829 163 H ARG 19 HN ARG 19 -24.916 -13.621 9.901 164 HA ARG 19 HA ARG 19 -21.988 -13.334 9.658 165 HB2 ARG 19 HB2 ARG 19 -23.860 -13.363 12.048 166 HB3 ARG 19 HB1 ARG 19 -22.108 -13.191 12.164 167 HG2 ARG 19 HG2 ARG 19 -22.200 -11.158 10.781 168 HG3 ARG 19 HG1 ARG 19 -23.948 -11.324 10.630 169 HD2 ARG 19 HD2 ARG 19 -22.504 -11.042 13.275 170 HD3 ARG 19 HD1 ARG 19 -23.217 -9.684 12.408 171 HE ARG 19 HE ARG 19 -24.662 -11.769 13.873 172 HH11 ARG 19 HH21 ARG 19 -24.779 -9.269 11.458 173 HH12 ARG 19 HH22 ARG 19 -26.490 -9.044 11.610 174 HH21 ARG 19 HH11 ARG 19 -26.878 -11.457 14.062 175 HH22 ARG 19 HH12 ARG 19 -27.672 -10.273 13.077 176 H ASP 20 HN ASP 20 -24.320 -15.786 9.896 177 HA ASP 20 HA ASP 20 -22.670 -17.696 11.374 178 HB2 ASP 20 HB2 ASP 20 -24.504 -19.290 10.813 179 HB3 ASP 20 HB1 ASP 20 -25.089 -17.829 11.603 180 H GLU 21 HN GLU 21 -22.367 -16.430 8.406 181 HA GLU 21 HA GLU 21 -21.633 -18.974 7.046 182 HB2 GLU 21 HB2 GLU 21 -23.131 -17.396 5.837 183 HB3 GLU 21 HB1 GLU 21 -21.864 -16.170 5.909 184 HG2 GLU 21 HG2 GLU 21 -20.343 -17.638 4.650 185 HG3 GLU 21 HG1 GLU 21 -21.574 -18.900 4.612 186 H LYS 22 HN LYS 22 -19.604 -19.560 7.226 187 HA LYS 22 HA LYS 22 -17.495 -17.705 8.002 188 HB2 LYS 22 HB2 LYS 22 -17.576 -20.041 8.856 189 HB3 LYS 22 HB1 LYS 22 -17.313 -20.632 7.214 190 HG2 LYS 22 HG2 LYS 22 -15.157 -19.472 7.110 191 HG3 LYS 22 HG1 LYS 22 -15.426 -18.782 8.711 192 HD2 LYS 22 HD2 LYS 22 -15.487 -21.067 9.672 193 HD3 LYS 22 HD1 LYS 22 -15.173 -21.737 8.071 194 HE2 LYS 22 HE2 LYS 22 -13.342 -19.777 9.483 195 HE3 LYS 22 HE1 LYS 22 -13.103 -21.525 9.467 196 HZ1 LYS 22 HZ1 LYS 22 -13.524 -20.782 6.844 197 HZ2 LYS 22 HZ2 LYS 22 -12.057 -21.270 7.550 198 HZ3 LYS 22 HZ3 LYS 22 -12.463 -19.621 7.472 199 H TRP 23 HN TRP 23 -16.019 -16.790 6.712 200 HA TRP 23 HA TRP 23 -16.266 -17.203 3.785 201 HB2 TRP 23 HB2 TRP 23 -14.623 -15.078 5.179 202 HB3 TRP 23 HB1 TRP 23 -15.255 -15.073 3.532 203 HD1 TRP 23 HD1 TRP 23 -18.185 -16.231 4.695 204 HE1 TRP 23 HE1 TRP 23 -19.799 -14.475 5.654 205 HE3 TRP 23 HE3 TRP 23 -14.908 -12.412 5.582 206 HZ2 TRP 23 HZ2 TRP 23 -19.721 -11.802 6.659 207 HZ3 TRP 23 HZ3 TRP 23 -15.711 -10.272 6.537 208 HH2 TRP 23 HH2 TRP 23 -18.111 -9.961 7.074 209 H GLU 24 HN GLU 24 -14.013 -16.738 2.694 210 HA GLU 24 HA GLU 24 -12.083 -18.691 3.864 211 HB2 GLU 24 HB2 GLU 24 -12.594 -17.868 0.989 212 HB3 GLU 24 HB1 GLU 24 -11.319 -18.972 1.507 213 HG2 GLU 24 HG2 GLU 24 -14.271 -19.403 2.049 214 HG3 GLU 24 HG1 GLU 24 -13.384 -20.159 0.726 215 H CYS 25 HN CYS 25 -10.360 -17.795 4.717 216 HA CYS 25 HA CYS 25 -9.569 -15.057 4.144 217 HB2 CYS 25 HB2 CYS 25 -8.034 -15.307 5.934 218 HB3 CYS 25 HB1 CYS 25 -9.450 -16.245 6.411 219 HG CYS 25 HG CYS 25 -6.949 -17.511 6.527 220 H GLU 26 HN GLU 26 -7.640 -14.370 3.256 221 HA GLU 26 HA GLU 26 -5.970 -16.387 1.841 222 HB2 GLU 26 HB2 GLU 26 -7.611 -15.416 0.238 223 HB3 GLU 26 HB1 GLU 26 -6.985 -13.806 0.607 224 HG2 GLU 26 HG2 GLU 26 -4.751 -14.473 -0.167 225 HG3 GLU 26 HG1 GLU 26 -5.332 -16.108 -0.483 226 H SER 27 HN SER 27 -4.111 -16.183 2.879 227 HA SER 27 HA SER 27 -3.093 -13.503 3.643 228 HB2 SER 27 HB2 SER 27 -3.063 -15.152 5.423 229 HB3 SER 27 HB1 SER 27 -2.219 -16.310 4.399 230 HG SER 27 HG SER 27 -0.512 -14.711 4.280 231 H ILE 28 HN ILE 28 -1.614 -12.548 2.457 232 HA ILE 28 HA ILE 28 0.468 -14.032 1.052 233 HB ILE 28 HB ILE 28 -1.422 -14.093 -0.553 234 HG12 ILE 28 HG12 ILE 28 0.696 -12.134 -1.483 235 HG13 ILE 28 HG11 ILE 28 1.013 -13.857 -1.269 236 HG21 ILE 28 HG21 ILE 28 -1.183 -11.081 -0.651 237 HG22 ILE 28 HG22 ILE 28 -2.410 -11.905 0.305 238 HG23 ILE 28 HG23 ILE 28 -2.382 -12.096 -1.448 239 HD11 ILE 28 HD11 ILE 28 -1.097 -12.659 -3.091 240 HD12 ILE 28 HD12 ILE 28 -0.806 -14.383 -2.864 241 HD13 ILE 28 HD13 ILE 28 0.429 -13.372 -3.612 242 H GLU 29 HN GLU 29 2.216 -12.692 0.445 243 HA GLU 29 HA GLU 29 2.302 -10.120 1.890 244 HB2 GLU 29 HB2 GLU 29 4.475 -11.718 0.493 245 HB3 GLU 29 HB1 GLU 29 4.734 -10.220 1.382 246 HG2 GLU 29 HG2 GLU 29 5.210 -11.837 3.008 247 HG3 GLU 29 HG1 GLU 29 3.527 -11.452 3.352 248 H GLU 30 HN GLU 30 1.979 -8.255 0.900 249 HA GLU 30 HA GLU 30 2.707 -7.968 -1.969 250 HB2 GLU 30 HB2 GLU 30 0.061 -7.204 -0.706 251 HB3 GLU 30 HB1 GLU 30 0.584 -6.674 -2.305 252 HG2 GLU 30 HG2 GLU 30 0.390 -9.582 -1.488 253 HG3 GLU 30 HG1 GLU 30 -0.890 -8.721 -2.334 254 H VAL 31 HN VAL 31 3.192 -5.869 -2.618 255 HA VAL 31 HA VAL 31 4.387 -4.189 -0.600 256 HB VAL 31 HB VAL 31 3.891 -3.446 -3.490 257 HG11 VAL 31 HG11 VAL 31 5.901 -2.106 -3.199 258 HG12 VAL 31 HG12 VAL 31 6.144 -2.761 -1.580 259 HG13 VAL 31 HG13 VAL 31 4.766 -1.710 -1.908 260 HG21 VAL 31 HG21 VAL 31 6.122 -4.494 -3.928 261 HG22 VAL 31 HG22 VAL 31 4.891 -5.673 -3.477 262 HG23 VAL 31 HG23 VAL 31 6.092 -5.157 -2.293 263 H ALA 32 HN ALA 32 3.747 -2.195 0.110 264 HA ALA 32 HA ALA 32 0.990 -1.689 0.450 265 HB1 ALA 32 HB1 ALA 32 1.711 0.512 1.318 266 HB2 ALA 32 HB2 ALA 32 3.326 0.236 0.669 267 HB3 ALA 32 HB3 ALA 32 2.705 -0.791 1.963 268 H ASP 33 HN ASP 33 3.325 -0.412 -1.872 269 HA ASP 33 HA ASP 33 1.548 1.539 -3.024 270 HB2 ASP 33 HB2 ASP 33 4.127 0.273 -3.991 271 HB3 ASP 33 HB1 ASP 33 3.280 1.534 -4.885 272 H ASP 34 HN ASP 34 1.742 -1.844 -3.272 273 HA ASP 34 HA ASP 34 0.561 -1.960 -5.981 274 HB2 ASP 34 HB2 ASP 34 1.470 -4.084 -4.019 275 HB3 ASP 34 HB1 ASP 34 0.680 -4.452 -5.552 276 H ILE 35 HN ILE 35 -0.531 -1.407 -2.922 277 HA ILE 35 HA ILE 35 -3.239 -2.435 -3.597 278 HB ILE 35 HB ILE 35 -2.257 -4.073 -2.063 279 HG12 ILE 35 HG12 ILE 35 -4.174 -2.311 -0.510 280 HG13 ILE 35 HG11 ILE 35 -4.686 -3.306 -1.874 281 HG21 ILE 35 HG21 ILE 35 -1.996 -1.889 0.003 282 HG22 ILE 35 HG22 ILE 35 -0.657 -2.300 -1.064 283 HG23 ILE 35 HG23 ILE 35 -1.318 -3.512 0.032 284 HD11 ILE 35 HD11 ILE 35 -5.012 -4.444 0.324 285 HD12 ILE 35 HD12 ILE 35 -3.271 -4.367 0.590 286 HD13 ILE 35 HD13 ILE 35 -3.916 -5.324 -0.742 287 H LEU 36 HN LEU 36 -1.345 -0.436 -1.307 288 HA LEU 36 HA LEU 36 -3.650 1.214 -0.763 289 HB2 LEU 36 HB2 LEU 36 -0.851 1.172 0.242 290 HB3 LEU 36 HB1 LEU 36 -1.858 2.586 0.534 291 HG LEU 36 HG LEU 36 -3.007 -0.130 1.134 292 HD11 LEU 36 HD11 LEU 36 -0.833 -0.232 2.220 293 HD12 LEU 36 HD12 LEU 36 -2.069 0.056 3.445 294 HD13 LEU 36 HD13 LEU 36 -1.053 1.386 2.888 295 HD21 LEU 36 HD21 LEU 36 -4.169 1.182 2.879 296 HD22 LEU 36 HD22 LEU 36 -4.407 1.905 1.292 297 HD23 LEU 36 HD23 LEU 36 -3.250 2.613 2.417 298 HA PRO 37 HA PRO 37 -2.948 3.853 -4.337 299 HB2 PRO 37 HB2 PRO 37 -4.349 5.812 -2.544 300 HB3 PRO 37 HB1 PRO 37 -4.689 5.390 -4.234 301 HG2 PRO 37 HG2 PRO 37 -6.203 4.480 -2.221 302 HG3 PRO 37 HG1 PRO 37 -5.873 3.502 -3.665 303 HD2 PRO 37 HD2 PRO 37 -4.795 3.206 -0.910 304 HD3 PRO 37 HD1 PRO 37 -5.045 1.983 -2.191 305 H ASP 38 HN ASP 38 -1.461 5.437 -4.867 306 HA ASP 38 HA ASP 38 0.763 5.905 -3.268 307 HB2 ASP 38 HB2 ASP 38 0.721 6.325 -5.695 308 HB3 ASP 38 HB1 ASP 38 -0.331 7.718 -5.440 309 H GLN 39 HN GLN 39 -2.275 7.609 -3.353 310 HA GLN 39 HA GLN 39 -1.533 9.989 -1.985 311 HB2 GLN 39 HB2 GLN 39 -3.670 9.694 -3.205 312 HB3 GLN 39 HB1 GLN 39 -4.193 8.522 -1.996 313 HG2 GLN 39 HG2 GLN 39 -4.150 10.206 -0.254 314 HG3 GLN 39 HG1 GLN 39 -3.430 11.385 -1.350 315 HE21 GLN 39 HE21 GLN 39 -5.950 11.833 -0.002 316 HE22 GLN 39 HE22 GLN 39 -7.168 11.905 -1.184 317 H TYR 40 HN TYR 40 -2.553 6.789 -0.822 318 HA TYR 40 HA TYR 40 -2.441 7.700 1.986 319 HB2 TYR 40 HB2 TYR 40 -3.290 5.137 0.624 320 HB3 TYR 40 HB1 TYR 40 -3.049 5.209 2.371 321 HD1 TYR 40 HD1 TYR 40 -4.310 6.973 3.715 322 HD2 TYR 40 HD2 TYR 40 -5.275 5.996 -0.355 323 HE1 TYR 40 HE1 TYR 40 -6.541 8.015 3.995 324 HE2 TYR 40 HE2 TYR 40 -7.508 7.036 -0.075 325 HH TYR 40 HH TYR 40 -8.317 9.118 1.979 326 H VAL 41 HN VAL 41 -0.179 6.849 -0.206 327 HA VAL 41 HA VAL 41 1.492 5.352 1.770 328 HB VAL 41 HB VAL 41 1.823 5.542 -1.239 329 HG11 VAL 41 HG11 VAL 41 3.321 3.453 -0.580 330 HG12 VAL 41 HG12 VAL 41 3.371 4.245 0.991 331 HG13 VAL 41 HG13 VAL 41 3.966 5.084 -0.442 332 HG21 VAL 41 HG21 VAL 41 -0.194 4.224 -0.308 333 HG22 VAL 41 HG22 VAL 41 0.996 3.115 0.369 334 HG23 VAL 41 HG23 VAL 41 0.904 3.351 -1.377 335 H ARG 42 HN ARG 42 0.958 8.407 0.779 336 HA ARG 42 HA ARG 42 3.474 9.477 0.074 337 HB2 ARG 42 HB2 ARG 42 1.178 10.711 1.631 338 HB3 ARG 42 HB1 ARG 42 2.566 11.621 1.037 339 HG2 ARG 42 HG2 ARG 42 2.040 10.920 -1.277 340 HG3 ARG 42 HG1 ARG 42 0.641 10.027 -0.682 341 HD2 ARG 42 HD2 ARG 42 1.037 13.006 -0.283 342 HD3 ARG 42 HD1 ARG 42 0.072 12.306 -1.581 343 HE ARG 42 HE ARG 42 -0.879 11.199 0.828 344 HH11 ARG 42 HH21 ARG 42 -0.576 14.292 -0.715 345 HH12 ARG 42 HH22 ARG 42 -1.975 14.955 0.062 346 HH21 ARG 42 HH11 ARG 42 -2.697 12.070 1.839 347 HH22 ARG 42 HH12 ARG 42 -3.172 13.702 1.504 348 H LEU 43 HN LEU 43 2.326 8.219 3.064 349 HA LEU 43 HA LEU 43 3.736 9.561 5.026 350 HB2 LEU 43 HB2 LEU 43 3.083 6.625 4.704 351 HB3 LEU 43 HB1 LEU 43 3.970 7.197 6.103 352 HG LEU 43 HG LEU 43 1.499 7.068 6.489 353 HD11 LEU 43 HD11 LEU 43 3.246 8.869 7.466 354 HD12 LEU 43 HD12 LEU 43 1.536 8.919 7.862 355 HD13 LEU 43 HD13 LEU 43 2.178 9.982 6.619 356 HD21 LEU 43 HD21 LEU 43 0.026 8.622 5.382 357 HD22 LEU 43 HD22 LEU 43 0.933 7.796 4.121 358 HD23 LEU 43 HD23 LEU 43 1.374 9.437 4.602 359 H GLY 44 HN GLY 44 5.113 6.438 4.676 360 HA2 GLY 44 HA2 GLY 44 7.440 6.831 3.221 361 HA3 GLY 44 HA1 GLY 44 7.797 7.501 4.800 362 HA PRO 45 HA PRO 45 8.659 3.644 6.727 363 HB2 PRO 45 HB2 PRO 45 6.107 3.724 8.302 364 HB3 PRO 45 HB1 PRO 45 7.778 3.535 8.871 365 HG2 PRO 45 HG2 PRO 45 6.450 5.842 9.146 366 HG3 PRO 45 HG1 PRO 45 8.193 5.798 8.821 367 HD2 PRO 45 HD2 PRO 45 5.962 6.515 6.977 368 HD3 PRO 45 HD1 PRO 45 7.640 7.083 6.997 369 H LEU 46 HN LEU 46 5.303 4.019 5.720 370 HA LEU 46 HA LEU 46 4.915 1.129 5.347 371 HB2 LEU 46 HB2 LEU 46 3.090 3.465 4.659 372 HB3 LEU 46 HB1 LEU 46 2.641 1.761 4.669 373 HG LEU 46 HG LEU 46 3.565 3.345 7.090 374 HD11 LEU 46 HD11 LEU 46 1.346 4.044 6.569 375 HD12 LEU 46 HD12 LEU 46 1.158 2.812 7.815 376 HD13 LEU 46 HD13 LEU 46 0.855 2.409 6.126 377 HD21 LEU 46 HD21 LEU 46 4.218 1.134 7.540 378 HD22 LEU 46 HD22 LEU 46 2.874 0.445 6.627 379 HD23 LEU 46 HD23 LEU 46 2.592 1.174 8.207 380 H SER 47 HN SER 47 6.213 3.706 3.631 381 HA SER 47 HA SER 47 5.377 3.090 0.958 382 HB2 SER 47 HB2 SER 47 6.415 5.268 1.799 383 HB3 SER 47 HB1 SER 47 7.969 4.439 1.731 384 HG SER 47 HG SER 47 6.293 4.253 -0.488 385 H ASN 48 HN ASN 48 6.166 1.737 -0.504 386 HA ASN 48 HA ASN 48 7.267 -0.095 -1.399 387 HB2 ASN 48 HB2 ASN 48 9.547 1.367 -0.052 388 HB3 ASN 48 HB1 ASN 48 9.780 -0.035 -1.095 389 HD21 ASN 48 HD21 ASN 48 10.791 2.604 -1.746 390 HD22 ASN 48 HD22 ASN 48 9.983 3.133 -3.142 391 H LYS 49 HN LYS 49 6.611 0.110 1.766 392 HA LYS 49 HA LYS 49 8.228 -2.131 2.728 393 HB2 LYS 49 HB2 LYS 49 7.523 -0.230 4.209 394 HB3 LYS 49 HB1 LYS 49 5.858 -0.797 4.070 395 HG2 LYS 49 HG2 LYS 49 6.525 -2.989 4.991 396 HG3 LYS 49 HG1 LYS 49 8.189 -2.432 5.118 397 HD2 LYS 49 HD2 LYS 49 7.478 -0.649 6.676 398 HD3 LYS 49 HD1 LYS 49 5.815 -1.223 6.566 399 HE2 LYS 49 HE2 LYS 49 6.496 -3.408 7.472 400 HE3 LYS 49 HE1 LYS 49 8.167 -2.854 7.567 401 HZ1 LYS 49 HZ1 LYS 49 7.441 -1.095 9.076 402 HZ2 LYS 49 HZ2 LYS 49 7.086 -2.635 9.698 403 HZ3 LYS 49 HZ3 LYS 49 5.852 -1.686 9.016 404 H ILE 50 HN ILE 50 7.578 -4.201 2.960 405 HA ILE 50 HA ILE 50 5.216 -5.050 1.456 406 HB ILE 50 HB ILE 50 7.383 -6.607 2.905 407 HG12 ILE 50 HG12 ILE 50 8.049 -7.206 0.577 408 HG13 ILE 50 HG11 ILE 50 6.783 -6.148 -0.044 409 HG21 ILE 50 HG21 ILE 50 5.456 -8.002 2.969 410 HG22 ILE 50 HG22 ILE 50 6.357 -8.538 1.552 411 HG23 ILE 50 HG23 ILE 50 4.943 -7.501 1.357 412 HD11 ILE 50 HD11 ILE 50 7.909 -4.214 0.578 413 HD12 ILE 50 HD12 ILE 50 9.272 -5.268 0.217 414 HD13 ILE 50 HD13 ILE 50 8.783 -5.011 1.889 415 H LEU 51 HN LEU 51 3.300 -5.118 2.390 416 HA LEU 51 HA LEU 51 3.093 -5.642 5.319 417 HB2 LEU 51 HB2 LEU 51 1.405 -4.100 3.354 418 HB3 LEU 51 HB1 LEU 51 0.654 -4.766 4.803 419 HG LEU 51 HG LEU 51 2.311 -3.596 6.207 420 HD11 LEU 51 HD11 LEU 51 3.633 -1.741 4.942 421 HD12 LEU 51 HD12 LEU 51 3.367 -2.745 3.516 422 HD13 LEU 51 HD13 LEU 51 4.246 -3.391 4.900 423 HD21 LEU 51 HD21 LEU 51 1.540 -1.245 5.670 424 HD22 LEU 51 HD22 LEU 51 0.237 -2.428 5.799 425 HD23 LEU 51 HD23 LEU 51 0.789 -1.892 4.211 426 H GLN 52 HN GLN 52 1.928 -7.339 6.051 427 HA GLN 52 HA GLN 52 1.335 -9.497 4.224 428 HB2 GLN 52 HB2 GLN 52 2.133 -9.904 6.538 429 HB3 GLN 52 HB1 GLN 52 0.626 -9.227 7.164 430 HG2 GLN 52 HG2 GLN 52 -0.678 -10.962 6.100 431 HG3 GLN 52 HG1 GLN 52 0.737 -11.566 5.241 432 HE21 GLN 52 HE21 GLN 52 -0.805 -13.257 6.977 433 HE22 GLN 52 HE22 GLN 52 0.160 -13.667 8.312 434 H THR 53 HN THR 53 -0.288 -9.121 2.860 435 HA THR 53 HA THR 53 -2.733 -7.755 3.623 436 HB THR 53 HB THR 53 -3.427 -8.530 1.268 437 HG1 THR 53 HG1 THR 53 -0.857 -8.918 0.546 438 HG21 THR 53 HG21 THR 53 -2.053 -6.829 0.206 439 HG22 THR 53 HG22 THR 53 -0.873 -6.919 1.513 440 HG23 THR 53 HG23 THR 53 -2.484 -6.280 1.822 441 H ASN 54 HN ASN 54 -4.630 -8.616 4.196 442 HA ASN 54 HA ASN 54 -5.013 -11.564 3.993 443 HB2 ASN 54 HB2 ASN 54 -5.384 -9.824 6.439 444 HB3 ASN 54 HB1 ASN 54 -6.169 -11.392 6.262 445 HD21 ASN 54 HD21 ASN 54 -4.238 -10.980 8.321 446 HD22 ASN 54 HD22 ASN 54 -2.857 -11.901 7.963 447 H THR 55 HN THR 55 -6.448 -11.417 2.353 448 HA THR 55 HA THR 55 -8.883 -9.744 2.762 449 HB THR 55 HB THR 55 -7.775 -10.956 0.215 450 HG1 THR 55 HG1 THR 55 -6.717 -9.165 0.049 451 HG21 THR 55 HG21 THR 55 -10.177 -10.748 0.083 452 HG22 THR 55 HG22 THR 55 -9.476 -9.404 -0.816 453 HG23 THR 55 HG23 THR 55 -10.125 -9.138 0.803 454 H TYR 56 HN TYR 56 -10.793 -10.651 2.974 455 HA TYR 56 HA TYR 56 -11.013 -13.624 2.701 456 HB2 TYR 56 HB2 TYR 56 -12.819 -11.850 4.352 457 HB3 TYR 56 HB1 TYR 56 -12.627 -13.595 4.436 458 HD1 TYR 56 HD1 TYR 56 -10.732 -10.395 4.884 459 HD2 TYR 56 HD2 TYR 56 -11.081 -14.548 5.932 460 HE1 TYR 56 HE1 TYR 56 -8.944 -10.120 6.579 461 HE2 TYR 56 HE2 TYR 56 -9.293 -14.267 7.626 462 HH TYR 56 HH TYR 56 -8.425 -11.878 9.007 463 H TYR 57 HN TYR 57 -12.629 -14.443 1.462 464 HA TYR 57 HA TYR 57 -14.585 -12.549 0.258 465 HB2 TYR 57 HB2 TYR 57 -14.270 -13.669 -1.927 466 HB3 TYR 57 HB1 TYR 57 -12.814 -12.839 -1.384 467 HD1 TYR 57 HD1 TYR 57 -14.426 -16.148 -1.812 468 HD2 TYR 57 HD2 TYR 57 -10.809 -14.057 -0.810 469 HE1 TYR 57 HE1 TYR 57 -13.149 -18.265 -2.003 470 HE2 TYR 57 HE2 TYR 57 -9.533 -16.175 -0.999 471 HH TYR 57 HH TYR 57 -11.095 -19.245 -1.276 472 H SER 58 HN SER 58 -16.567 -13.310 -0.055 473 HA SER 58 HA SER 58 -17.138 -16.185 0.432 474 HB2 SER 58 HB2 SER 58 -17.455 -14.746 2.526 475 HB3 SER 58 HB1 SER 58 -18.783 -13.966 1.673 476 HG SER 58 HG SER 58 -19.951 -15.651 2.103 477 H ASP 59 HN ASP 59 -19.422 -16.695 -0.190 478 HA ASP 59 HA ASP 59 -19.926 -15.924 -2.878 479 HB2 ASP 59 HB2 ASP 59 -21.662 -17.304 -0.806 480 HB3 ASP 59 HB1 ASP 59 -22.174 -17.060 -2.475 481 H THR 60 HN THR 60 -21.485 -14.983 0.170 482 HA THR 60 HA THR 60 -23.459 -13.278 -1.001 483 HB THR 60 HB THR 60 -23.635 -12.364 1.342 484 HG1 THR 60 HG1 THR 60 -22.194 -12.914 2.797 485 HG21 THR 60 HG21 THR 60 -23.504 -15.386 1.231 486 HG22 THR 60 HG22 THR 60 -24.816 -14.440 0.530 487 HG23 THR 60 HG23 THR 60 -24.533 -14.398 2.271 488 H LEU 61 HN LEU 61 -20.193 -12.744 0.209 489 HA LEU 61 HA LEU 61 -20.177 -9.907 0.143 490 HB2 LEU 61 HB2 LEU 61 -17.965 -11.960 -0.117 491 HB3 LEU 61 HB1 LEU 61 -17.658 -10.235 -0.035 492 HG LEU 61 HG LEU 61 -19.279 -11.709 2.059 493 HD11 LEU 61 HD11 LEU 61 -17.285 -11.802 3.431 494 HD12 LEU 61 HD12 LEU 61 -16.353 -10.920 2.221 495 HD13 LEU 61 HD13 LEU 61 -16.904 -12.560 1.887 496 HD21 LEU 61 HD21 LEU 61 -18.353 -9.595 3.347 497 HD22 LEU 61 HD22 LEU 61 -19.742 -9.429 2.293 498 HD23 LEU 61 HD23 LEU 61 -18.147 -8.930 1.734 499 H HIS 62 HN HIS 62 -19.347 -12.308 -2.315 500 HA HIS 62 HA HIS 62 -18.386 -10.466 -4.278 501 HB2 HIS 62 HB2 HIS 62 -17.974 -12.929 -4.324 502 HB3 HIS 62 HB1 HIS 62 -19.676 -13.179 -4.715 503 HD1 HIS 62 HD1 HIS 62 -20.514 -12.044 -7.009 504 HD2 HIS 62 HD2 HIS 62 -16.379 -12.285 -6.531 505 HE1 HIS 62 HE1 HIS 62 -19.506 -11.698 -9.306 506 H LYS 63 HN LYS 63 -21.579 -11.876 -3.649 507 HA LYS 63 HA LYS 63 -22.910 -10.795 -5.921 508 HB2 LYS 63 HB2 LYS 63 -23.937 -11.609 -3.184 509 HB3 LYS 63 HB1 LYS 63 -24.989 -11.135 -4.517 510 HG2 LYS 63 HG2 LYS 63 -24.060 -12.945 -5.911 511 HG3 LYS 63 HG1 LYS 63 -22.993 -13.422 -4.589 512 HD2 LYS 63 HD2 LYS 63 -24.949 -13.904 -3.169 513 HD3 LYS 63 HD1 LYS 63 -26.026 -13.409 -4.473 514 HE2 LYS 63 HE2 LYS 63 -25.136 -15.211 -5.903 515 HE3 LYS 63 HE1 LYS 63 -24.047 -15.705 -4.606 516 HZ1 LYS 63 HZ1 LYS 63 -25.702 -16.667 -3.461 517 HZ2 LYS 63 HZ2 LYS 63 -26.481 -16.725 -4.969 518 HZ3 LYS 63 HZ3 LYS 63 -26.841 -15.480 -3.872 519 H SER 64 HN SER 64 -22.431 -9.579 -2.632 520 HA SER 64 HA SER 64 -23.940 -7.137 -3.077 521 HB2 SER 64 HB2 SER 64 -23.191 -6.530 -0.847 522 HB3 SER 64 HB1 SER 64 -23.668 -8.223 -0.833 523 HG SER 64 HG SER 64 -21.428 -7.309 -0.009 524 H ASN 65 HN ASN 65 -20.964 -8.212 -4.075 525 HA ASN 65 HA ASN 65 -19.134 -7.200 -5.058 526 HB2 ASN 65 HB2 ASN 65 -20.828 -4.690 -5.028 527 HB3 ASN 65 HB1 ASN 65 -19.464 -5.043 -6.082 528 HD21 ASN 65 HD21 ASN 65 -20.313 -7.909 -6.442 529 HD22 ASN 65 HD22 ASN 65 -21.649 -7.853 -7.488 530 H ILE 66 HN ILE 66 -19.429 -7.254 -2.137 531 HA ILE 66 HA ILE 66 -17.743 -4.886 -1.418 532 HB ILE 66 HB ILE 66 -19.410 -6.600 0.454 533 HG12 ILE 66 HG12 ILE 66 -20.918 -5.368 -1.001 534 HG13 ILE 66 HG11 ILE 66 -20.889 -4.569 0.563 535 HG21 ILE 66 HG21 ILE 66 -18.969 -4.690 2.010 536 HG22 ILE 66 HG22 ILE 66 -17.911 -3.981 0.789 537 HG23 ILE 66 HG23 ILE 66 -17.495 -5.529 1.528 538 HD11 ILE 66 HD11 ILE 66 -19.669 -3.679 -2.034 539 HD12 ILE 66 HD12 ILE 66 -18.971 -3.119 -0.516 540 HD13 ILE 66 HD13 ILE 66 -20.648 -2.760 -0.895 541 H TYR 67 HN TYR 67 -15.714 -5.307 -0.896 542 HA TYR 67 HA TYR 67 -14.977 -8.095 -0.258 543 HB2 TYR 67 HB2 TYR 67 -13.463 -6.057 -1.829 544 HB3 TYR 67 HB1 TYR 67 -12.764 -7.571 -1.261 545 HD1 TYR 67 HD2 TYR 67 -13.756 -9.761 -2.001 546 HD2 TYR 67 HD1 TYR 67 -14.948 -6.002 -3.707 547 HE1 TYR 67 HE2 TYR 67 -14.763 -10.954 -3.930 548 HE2 TYR 67 HE1 TYR 67 -15.954 -7.196 -5.634 549 HH TYR 67 HH TYR 67 -15.300 -10.342 -6.393 550 HA PRO 68 HA PRO 68 -13.555 -5.980 3.487 551 HB2 PRO 68 HB2 PRO 68 -13.183 -8.216 4.987 552 HB3 PRO 68 HB1 PRO 68 -14.793 -7.545 4.664 553 HG2 PRO 68 HG2 PRO 68 -13.420 -9.858 3.385 554 HG3 PRO 68 HG1 PRO 68 -15.123 -9.671 3.841 555 HD2 PRO 68 HD2 PRO 68 -14.158 -9.360 1.280 556 HD3 PRO 68 HD1 PRO 68 -15.659 -8.602 1.880 557 H PHE 69 HN PHE 69 -11.526 -5.199 3.514 558 HA PHE 69 HA PHE 69 -9.260 -7.106 3.087 559 HB2 PHE 69 HB2 PHE 69 -9.914 -5.083 1.383 560 HB3 PHE 69 HB1 PHE 69 -8.853 -4.204 2.480 561 HD1 PHE 69 HD1 PHE 69 -6.704 -5.764 3.239 562 HD2 PHE 69 HD2 PHE 69 -8.843 -5.998 -0.479 563 HE1 PHE 69 HE1 PHE 69 -4.729 -6.802 2.166 564 HE2 PHE 69 HE2 PHE 69 -6.867 -7.028 -1.552 565 HZ PHE 69 HZ PHE 69 -4.808 -7.434 -0.234 566 H ILE 70 HN ILE 70 -7.843 -7.229 4.654 567 HA ILE 70 HA ILE 70 -7.606 -5.000 6.625 568 HB ILE 70 HB ILE 70 -7.617 -7.960 7.294 569 HG12 ILE 70 HG12 ILE 70 -9.679 -5.820 7.934 570 HG13 ILE 70 HG11 ILE 70 -9.862 -7.013 6.649 571 HG21 ILE 70 HG21 ILE 70 -7.604 -7.108 9.625 572 HG22 ILE 70 HG22 ILE 70 -7.500 -5.457 9.013 573 HG23 ILE 70 HG23 ILE 70 -6.173 -6.578 8.743 574 HD11 ILE 70 HD11 ILE 70 -9.716 -7.499 9.628 575 HD12 ILE 70 HD12 ILE 70 -9.471 -8.793 8.456 576 HD13 ILE 70 HD13 ILE 70 -11.010 -7.939 8.515 577 H LEU 71 HN LEU 71 -5.582 -4.430 7.077 578 HA LEU 71 HA LEU 71 -3.368 -5.984 5.838 579 HB2 LEU 71 HB2 LEU 71 -3.298 -3.149 6.911 580 HB3 LEU 71 HB1 LEU 71 -2.101 -3.941 5.887 581 HG LEU 71 HG LEU 71 -4.945 -3.226 5.119 582 HD11 LEU 71 HD11 LEU 71 -3.152 -1.415 5.165 583 HD12 LEU 71 HD12 LEU 71 -3.942 -1.662 3.607 584 HD13 LEU 71 HD13 LEU 71 -2.330 -2.319 3.892 585 HD21 LEU 71 HD21 LEU 71 -4.056 -4.043 2.813 586 HD22 LEU 71 HD22 LEU 71 -4.547 -5.260 3.984 587 HD23 LEU 71 HD23 LEU 71 -2.834 -4.900 3.752 588 H TYR 72 HN TYR 72 -1.821 -6.869 6.989 589 HA TYR 72 HA TYR 72 -1.609 -6.282 9.903 590 HB2 TYR 72 HB2 TYR 72 -1.806 -8.970 8.524 591 HB3 TYR 72 HB1 TYR 72 -1.092 -8.792 10.129 592 HD1 TYR 72 HD1 TYR 72 -2.498 -7.527 11.911 593 HD2 TYR 72 HD2 TYR 72 -4.140 -9.177 8.305 594 HE1 TYR 72 HE1 TYR 72 -4.759 -7.500 12.928 595 HE2 TYR 72 HE2 TYR 72 -6.402 -9.151 9.319 596 HH TYR 72 HH TYR 72 -6.975 -8.884 12.520 597 H TYR 73 HN TYR 73 0.476 -6.788 10.794 598 HA TYR 73 HA TYR 73 2.675 -7.283 8.887 599 HB2 TYR 73 HB2 TYR 73 2.502 -4.868 8.851 600 HB3 TYR 73 HB1 TYR 73 2.470 -4.802 10.613 601 HD1 TYR 73 HD2 TYR 73 4.571 -6.095 7.783 602 HD2 TYR 73 HD1 TYR 73 4.487 -4.522 11.780 603 HE1 TYR 73 HE2 TYR 73 7.050 -6.040 7.816 604 HE2 TYR 73 HE1 TYR 73 6.964 -4.466 11.811 605 HH TYR 73 HH TYR 73 8.819 -4.309 9.985 606 H GLN 74 HN GLN 74 3.674 -8.930 9.756 607 HA GLN 74 HA GLN 74 4.712 -10.358 11.248 608 HB2 GLN 74 HB2 GLN 74 5.071 -7.748 12.743 609 HB3 GLN 74 HB1 GLN 74 5.815 -9.272 13.230 610 HG2 GLN 74 HG2 GLN 74 6.951 -9.436 11.054 611 HG3 GLN 74 HG1 GLN 74 6.195 -7.930 10.537 612 HE21 GLN 74 HE21 GLN 74 8.781 -7.586 10.372 613 HE22 GLN 74 HE22 GLN 74 9.470 -6.827 11.725 614 H LYS 75 HN LYS 75 3.161 -8.063 13.495 615 HA LYS 75 HA LYS 75 1.076 -9.931 14.223 616 HB2 LYS 75 HB2 LYS 75 3.171 -10.832 15.364 617 HB3 LYS 75 HB1 LYS 75 3.144 -9.378 16.359 618 HG2 LYS 75 HG2 LYS 75 0.914 -9.915 17.175 619 HG3 LYS 75 HG1 LYS 75 0.808 -11.298 16.087 620 HD2 LYS 75 HD2 LYS 75 3.122 -11.162 18.009 621 HD3 LYS 75 HD1 LYS 75 1.539 -11.620 18.631 622 HE2 LYS 75 HE2 LYS 75 2.733 -12.950 16.194 623 HE3 LYS 75 HE1 LYS 75 3.052 -13.532 17.825 624 HZ1 LYS 75 HZ1 LYS 75 1.203 -14.726 17.009 625 HZ2 LYS 75 HZ2 LYS 75 0.430 -13.316 16.455 626 HZ3 LYS 75 HZ3 LYS 75 0.584 -13.608 18.123 627 H GLN 76 HN GLN 76 0.441 -7.603 13.385 628 HA GLN 76 HA GLN 76 -0.768 -6.249 15.590 629 HB2 GLN 76 HB2 GLN 76 1.508 -5.388 15.942 630 HB3 GLN 76 HB1 GLN 76 1.548 -4.792 14.281 631 HG2 GLN 76 HG2 GLN 76 -0.302 -3.274 14.728 632 HG3 GLN 76 HG1 GLN 76 -0.510 -3.952 16.343 633 HE21 GLN 76 HE21 GLN 76 0.005 -1.173 15.999 634 HE22 GLN 76 HE22 GLN 76 1.555 -0.826 16.600 635 H LEU 77 HN LEU 77 -2.266 -4.722 14.944 636 HA LEU 77 HA LEU 77 -3.169 -4.945 12.206 637 HB2 LEU 77 HB2 LEU 77 -4.750 -4.878 14.116 638 HB3 LEU 77 HB1 LEU 77 -4.224 -3.237 14.483 639 HG LEU 77 HG LEU 77 -4.958 -2.536 12.190 640 HD11 LEU 77 HD11 LEU 77 -6.623 -4.274 11.149 641 HD12 LEU 77 HD12 LEU 77 -5.700 -5.455 12.074 642 HD13 LEU 77 HD13 LEU 77 -4.904 -4.461 10.854 643 HD21 LEU 77 HD21 LEU 77 -7.256 -2.395 12.741 644 HD22 LEU 77 HD22 LEU 77 -6.428 -2.480 14.291 645 HD23 LEU 77 HD23 LEU 77 -7.222 -3.913 13.637 646 H ILE 78 HN ILE 78 -2.853 -3.560 10.583 647 HA ILE 78 HA ILE 78 -1.376 -1.034 11.139 648 HB ILE 78 HB ILE 78 -1.717 -2.576 8.541 649 HG12 ILE 78 HG12 ILE 78 -0.364 -3.825 10.163 650 HG13 ILE 78 HG11 ILE 78 0.676 -3.175 8.897 651 HG21 ILE 78 HG21 ILE 78 -0.132 -0.115 9.311 652 HG22 ILE 78 HG22 ILE 78 -1.330 -0.270 8.025 653 HG23 ILE 78 HG23 ILE 78 0.236 -1.068 7.873 654 HD11 ILE 78 HD11 ILE 78 0.891 -1.124 10.600 655 HD12 ILE 78 HD12 ILE 78 1.889 -2.552 10.778 656 HD13 ILE 78 HD13 ILE 78 0.447 -2.359 11.770 657 H ALA 79 HN ALA 79 -4.054 -2.323 9.149 658 HA ALA 79 HA ALA 79 -5.585 0.115 9.555 659 HB1 ALA 79 HB1 ALA 79 -5.655 0.841 7.256 660 HB2 ALA 79 HB2 ALA 79 -4.674 -0.527 6.738 661 HB3 ALA 79 HB3 ALA 79 -3.963 0.740 7.739 662 H ILE 80 HN ILE 80 -7.699 0.006 8.614 663 HA ILE 80 HA ILE 80 -8.567 -2.697 7.707 664 HB ILE 80 HB ILE 80 -9.898 -0.968 9.816 665 HG12 ILE 80 HG12 ILE 80 -8.863 -3.812 9.985 666 HG13 ILE 80 HG11 ILE 80 -7.915 -2.411 10.484 667 HG21 ILE 80 HG21 ILE 80 -11.648 -1.917 8.492 668 HG22 ILE 80 HG22 ILE 80 -11.489 -2.970 9.896 669 HG23 ILE 80 HG23 ILE 80 -10.797 -3.455 8.346 670 HD11 ILE 80 HD11 ILE 80 -9.451 -1.858 12.215 671 HD12 ILE 80 HD12 ILE 80 -9.255 -3.609 12.322 672 HD13 ILE 80 HD13 ILE 80 -10.692 -2.925 11.563 673 H GLY 81 HN GLY 81 -9.922 -2.656 6.011 674 HA2 GLY 81 HA2 GLY 81 -11.777 -0.583 5.421 675 HA3 GLY 81 HA1 GLY 81 -10.319 -0.329 4.471 676 H PHE 82 HN PHE 82 -13.042 -1.029 3.641 677 HA PHE 82 HA PHE 82 -12.505 -3.625 2.268 678 HB2 PHE 82 HB2 PHE 82 -14.997 -3.790 2.047 679 HB3 PHE 82 HB1 PHE 82 -14.426 -3.867 3.710 680 HD1 PHE 82 HD1 PHE 82 -15.972 -1.639 1.170 681 HD2 PHE 82 HD2 PHE 82 -15.042 -2.226 5.322 682 HE1 PHE 82 HE1 PHE 82 -17.428 0.278 1.769 683 HE2 PHE 82 HE2 PHE 82 -16.494 -0.306 5.920 684 HZ PHE 82 HZ PHE 82 -17.688 0.944 4.142 685 H ILE 83 HN ILE 83 -13.048 -3.774 0.088 686 HA ILE 83 HA ILE 83 -12.943 -1.176 -1.336 687 HB ILE 83 HB ILE 83 -12.542 -3.996 -2.383 688 HG12 ILE 83 HG12 ILE 83 -10.500 -1.849 -1.730 689 HG13 ILE 83 HG11 ILE 83 -10.848 -3.223 -0.685 690 HG21 ILE 83 HG21 ILE 83 -11.522 -2.773 -4.311 691 HG22 ILE 83 HG22 ILE 83 -12.050 -1.255 -3.587 692 HG23 ILE 83 HG23 ILE 83 -13.244 -2.436 -4.128 693 HD11 ILE 83 HD11 ILE 83 -9.894 -3.430 -3.556 694 HD12 ILE 83 HD12 ILE 83 -10.173 -4.777 -2.452 695 HD13 ILE 83 HD13 ILE 83 -8.871 -3.630 -2.133 696 H ASP 84 HN ASP 84 -14.738 -0.346 -2.073 697 HA ASP 84 HA ASP 84 -17.185 -1.928 -2.330 698 HB2 ASP 84 HB2 ASP 84 -16.555 1.014 -2.660 699 HB3 ASP 84 HB1 ASP 84 -18.144 0.338 -3.015 700 H GLU 85 HN GLU 85 -18.313 -2.275 -4.198 701 HA GLU 85 HA GLU 85 -18.463 -2.975 -6.419 702 HB2 GLU 85 HB2 GLU 85 -17.492 -0.121 -6.692 703 HB3 GLU 85 HB1 GLU 85 -18.124 -1.083 -8.028 704 HG2 GLU 85 HG2 GLU 85 -20.264 -1.349 -6.862 705 HG3 GLU 85 HG1 GLU 85 -19.643 -0.441 -5.485 706 H ASN 86 HN ASN 86 -16.203 -0.960 -7.821 707 HA ASN 86 HA ASN 86 -14.190 -3.161 -8.003 708 HB2 ASN 86 HB2 ASN 86 -15.537 -2.561 -10.079 709 HB3 ASN 86 HB1 ASN 86 -14.720 -0.999 -10.055 710 HD21 ASN 86 HD21 ASN 86 -13.655 -1.566 -12.117 711 HD22 ASN 86 HD22 ASN 86 -12.348 -2.648 -12.141 712 H HIS 87 HN HIS 87 -14.778 -0.000 -6.908 713 HA HIS 87 HA HIS 87 -11.913 0.392 -6.347 714 HB2 HIS 87 HB2 HIS 87 -12.598 1.550 -8.594 715 HB3 HIS 87 HB1 HIS 87 -13.442 2.705 -7.563 716 HD1 HIS 87 HD1 HIS 87 -11.094 3.790 -9.124 717 HD2 HIS 87 HD2 HIS 87 -10.657 2.100 -5.338 718 HE1 HIS 87 HE1 HIS 87 -8.935 4.710 -8.173 719 H ASP 88 HN ASP 88 -12.493 3.226 -5.725 720 HA ASP 88 HA ASP 88 -12.994 4.467 -3.831 721 HB2 ASP 88 HB2 ASP 88 -15.262 4.129 -4.887 722 HB3 ASP 88 HB1 ASP 88 -15.505 2.786 -3.771 723 H MET 89 HN MET 89 -11.360 3.642 -2.483 724 HA MET 89 HA MET 89 -11.881 1.265 -0.853 725 HB2 MET 89 HB2 MET 89 -9.591 3.259 -0.865 726 HB3 MET 89 HB1 MET 89 -9.673 1.840 0.181 727 HG2 MET 89 HG2 MET 89 -9.826 0.382 -1.804 728 HG3 MET 89 HG1 MET 89 -9.723 1.797 -2.851 729 HE1 MET 89 HE1 MET 89 -6.373 0.053 -3.392 730 HE2 MET 89 HE2 MET 89 -7.280 1.351 -4.163 731 HE3 MET 89 HE3 MET 89 -8.115 -0.112 -3.645 732 H ASP 90 HN ASP 90 -12.793 1.271 1.082 733 HA ASP 90 HA ASP 90 -13.183 3.879 2.494 734 HB2 ASP 90 HB2 ASP 90 -15.266 2.818 1.667 735 HB3 ASP 90 HB1 ASP 90 -14.895 1.383 2.619 736 H PHE 91 HN PHE 91 -11.727 4.018 4.056 737 HA PHE 91 HA PHE 91 -10.947 1.609 5.604 738 HB2 PHE 91 HB2 PHE 91 -9.768 4.393 5.378 739 HB3 PHE 91 HB1 PHE 91 -9.218 3.204 6.561 740 HD1 PHE 91 HD2 PHE 91 -8.123 1.118 5.851 741 HD2 PHE 91 HD1 PHE 91 -9.325 4.102 3.004 742 HE1 PHE 91 HE2 PHE 91 -6.718 0.033 4.118 743 HE2 PHE 91 HE1 PHE 91 -7.920 3.017 1.273 744 HZ PHE 91 HZ PHE 91 -6.617 0.982 1.831 745 H LEU 92 HN LEU 92 -11.613 1.307 7.626 746 HA LEU 92 HA LEU 92 -13.315 3.384 8.907 747 HB2 LEU 92 HB2 LEU 92 -13.016 0.445 9.623 748 HB3 LEU 92 HB1 LEU 92 -14.245 1.555 10.210 749 HG LEU 92 HG LEU 92 -15.279 0.260 8.469 750 HD11 LEU 92 HD11 LEU 92 -16.063 1.990 7.063 751 HD12 LEU 92 HD12 LEU 92 -14.510 2.812 7.052 752 HD13 LEU 92 HD13 LEU 92 -15.525 2.844 8.503 753 HD21 LEU 92 HD21 LEU 92 -14.233 -0.421 6.550 754 HD22 LEU 92 HD22 LEU 92 -12.765 -0.073 7.435 755 HD23 LEU 92 HD23 LEU 92 -13.419 1.111 6.308 756 H TYR 93 HN TYR 93 -10.269 1.858 9.135 757 HA TYR 93 HA TYR 93 -9.602 3.463 11.468 758 HB2 TYR 93 HB2 TYR 93 -10.626 1.522 12.556 759 HB3 TYR 93 HB1 TYR 93 -9.566 0.438 11.652 760 HD1 TYR 93 HD1 TYR 93 -9.537 3.284 14.078 761 HD2 TYR 93 HD2 TYR 93 -7.401 -0.069 12.449 762 HE1 TYR 93 HE1 TYR 93 -7.775 3.569 15.800 763 HE2 TYR 93 HE2 TYR 93 -5.640 0.217 14.170 764 HH TYR 93 HH TYR 93 -5.365 2.999 16.070 765 H LEU 94 HN LEU 94 -7.734 4.294 10.872 766 HA LEU 94 HA LEU 94 -5.769 2.584 9.424 767 HB2 LEU 94 HB2 LEU 94 -6.492 4.437 8.030 768 HB3 LEU 94 HB1 LEU 94 -6.191 5.589 9.333 769 HG LEU 94 HG LEU 94 -3.794 5.111 9.260 770 HD11 LEU 94 HD11 LEU 94 -3.056 3.597 7.251 771 HD12 LEU 94 HD12 LEU 94 -4.686 2.943 7.370 772 HD13 LEU 94 HD13 LEU 94 -3.586 2.831 8.745 773 HD21 LEU 94 HD21 LEU 94 -4.874 6.716 7.594 774 HD22 LEU 94 HD22 LEU 94 -4.729 5.424 6.402 775 HD23 LEU 94 HD23 LEU 94 -3.282 6.100 7.151 776 H HIS 95 HN HIS 95 -4.028 2.075 10.521 777 HA HIS 95 HA HIS 95 -3.017 3.911 12.633 778 HB2 HIS 95 HB2 HIS 95 -4.227 2.082 13.731 779 HB3 HIS 95 HB1 HIS 95 -3.260 0.901 12.847 780 HD1 HIS 95 HD1 HIS 95 -0.872 3.378 13.457 781 HD2 HIS 95 HD2 HIS 95 -2.757 0.636 15.971 782 HE1 HIS 95 HE1 HIS 95 0.624 3.131 15.490 783 H ASN 96 HN ASN 96 -1.209 4.632 11.735 784 HA ASN 96 HA ASN 96 0.514 2.911 10.109 785 HB2 ASN 96 HB2 ASN 96 0.721 5.801 11.011 786 HB3 ASN 96 HB1 ASN 96 1.972 4.992 10.068 787 HD21 ASN 96 HD21 ASN 96 0.604 7.230 8.981 788 HD22 ASN 96 HD22 ASN 96 -0.380 6.707 7.699 789 H THR 97 HN THR 97 2.906 2.946 10.674 790 HA THR 97 HA THR 97 3.301 1.695 13.199 791 HB THR 97 HB THR 97 5.731 1.860 12.640 792 HG1 THR 97 HG1 THR 97 6.203 3.521 11.462 793 HG21 THR 97 HG21 THR 97 4.316 0.044 11.726 794 HG22 THR 97 HG22 THR 97 5.604 0.493 10.609 795 HG23 THR 97 HG23 THR 97 3.956 1.050 10.321 796 H VAL 98 HN VAL 98 3.598 5.012 12.126 797 HA VAL 98 HA VAL 98 4.942 5.861 14.595 798 HB VAL 98 HB VAL 98 3.875 7.466 12.247 799 HG11 VAL 98 HG11 VAL 98 5.451 9.209 13.215 800 HG12 VAL 98 HG12 VAL 98 5.567 8.197 14.653 801 HG13 VAL 98 HG13 VAL 98 4.014 8.888 14.185 802 HG21 VAL 98 HG21 VAL 98 5.672 6.035 11.512 803 HG22 VAL 98 HG22 VAL 98 6.622 6.390 12.954 804 HG23 VAL 98 HG23 VAL 98 6.360 7.644 11.741 805 H MET 99 HN MET 99 1.864 6.635 12.941 806 HA MET 99 HA MET 99 0.382 6.563 15.385 807 HB2 MET 99 HB2 MET 99 -0.098 8.968 15.590 808 HB3 MET 99 HB1 MET 99 1.623 8.661 15.759 809 HG2 MET 99 HG2 MET 99 1.803 9.156 13.248 810 HG3 MET 99 HG1 MET 99 0.155 9.776 13.360 811 HE1 MET 99 HE1 MET 99 1.308 11.609 12.223 812 HE2 MET 99 HE2 MET 99 1.980 13.016 13.043 813 HE3 MET 99 HE3 MET 99 0.280 12.608 13.260 814 HA PRO 100 HA PRO 100 -2.819 6.192 12.345 815 HB2 PRO 100 HB2 PRO 100 -5.015 6.952 13.854 816 HB3 PRO 100 HB1 PRO 100 -4.256 5.355 13.949 817 HG2 PRO 100 HG2 PRO 100 -3.969 7.693 15.767 818 HG3 PRO 100 HG1 PRO 100 -4.006 5.961 16.146 819 HD2 PRO 100 HD2 PRO 100 -1.692 7.413 16.080 820 HD3 PRO 100 HD1 PRO 100 -1.747 5.678 15.712 821 H LEU 101 HN LEU 101 -3.963 7.472 10.878 822 HA LEU 101 HA LEU 101 -3.516 10.395 11.160 823 HB2 LEU 101 HB2 LEU 101 -4.343 8.803 8.710 824 HB3 LEU 101 HB1 LEU 101 -3.838 10.492 8.756 825 HG LEU 101 HG LEU 101 -2.100 8.143 9.574 826 HD11 LEU 101 HD11 LEU 101 -1.781 9.947 7.165 827 HD12 LEU 101 HD12 LEU 101 -2.627 8.401 7.086 828 HD13 LEU 101 HD13 LEU 101 -0.919 8.449 7.519 829 HD21 LEU 101 HD21 LEU 101 -0.342 10.092 9.328 830 HD22 LEU 101 HD22 LEU 101 -1.283 9.957 10.807 831 HD23 LEU 101 HD23 LEU 101 -1.741 11.136 9.574 832 H LEU 102 HN LEU 102 -6.103 8.458 9.610 833 HA LEU 102 HA LEU 102 -8.053 10.551 10.215 834 HB2 LEU 102 HB2 LEU 102 -8.453 7.841 8.907 835 HB3 LEU 102 HB1 LEU 102 -9.599 9.179 8.910 836 HG LEU 102 HG LEU 102 -6.814 9.290 7.706 837 HD11 LEU 102 HD11 LEU 102 -7.968 9.272 5.544 838 HD12 LEU 102 HD12 LEU 102 -9.529 9.156 6.356 839 HD13 LEU 102 HD13 LEU 102 -8.384 7.818 6.452 840 HD21 LEU 102 HD21 LEU 102 -9.061 11.275 8.028 841 HD22 LEU 102 HD22 LEU 102 -7.998 11.389 6.627 842 HD23 LEU 102 HD23 LEU 102 -7.326 11.509 8.247 843 H ASP 103 HN ASP 103 -8.583 7.069 10.557 844 HA ASP 103 HA ASP 103 -9.625 5.803 12.190 845 HB2 ASP 103 HB2 ASP 103 -8.129 7.817 13.862 846 HB3 ASP 103 HB1 ASP 103 -9.132 6.574 14.606 847 H GLN 104 HN GLN 104 -11.181 7.802 10.911 848 HA GLN 104 HA GLN 104 -12.750 9.342 12.719 849 HB2 GLN 104 HB2 GLN 104 -13.345 8.255 9.954 850 HB3 GLN 104 HB1 GLN 104 -14.401 9.378 10.816 851 HG2 GLN 104 HG2 GLN 104 -12.556 11.003 10.984 852 HG3 GLN 104 HG1 GLN 104 -11.490 9.888 10.131 853 HE21 GLN 104 HE21 GLN 104 -11.201 10.860 8.102 854 HE22 GLN 104 HE22 GLN 104 -12.469 11.366 7.092 855 H ARG 105 HN ARG 105 -13.989 8.598 14.275 856 HA ARG 105 HA ARG 105 -14.852 5.873 14.496 857 HB2 ARG 105 HB2 ARG 105 -16.102 6.665 16.467 858 HB3 ARG 105 HB1 ARG 105 -14.454 7.290 16.469 859 HG2 ARG 105 HG2 ARG 105 -15.283 9.419 15.486 860 HG3 ARG 105 HG1 ARG 105 -16.932 8.794 15.564 861 HD2 ARG 105 HD2 ARG 105 -16.730 8.548 18.015 862 HD3 ARG 105 HD1 ARG 105 -15.086 9.180 17.942 863 HE ARG 105 HE ARG 105 -17.022 10.988 16.753 864 HH11 ARG 105 HH21 ARG 105 -15.573 9.867 19.703 865 HH12 ARG 105 HH22 ARG 105 -15.873 11.345 20.555 866 HH21 ARG 105 HH11 ARG 105 -17.410 12.904 17.869 867 HH22 ARG 105 HH12 ARG 105 -16.910 13.059 19.521 868 H TYR 106 HN TYR 106 -16.241 8.727 13.079 869 HA TYR 106 HA TYR 106 -18.991 8.038 13.133 870 HB2 TYR 106 HB2 TYR 106 -17.467 9.581 11.001 871 HB3 TYR 106 HB1 TYR 106 -19.214 9.589 11.230 872 HD1 TYR 106 HD2 TYR 106 -20.208 10.547 13.316 873 HD2 TYR 106 HD1 TYR 106 -16.019 10.881 12.420 874 HE1 TYR 106 HE2 TYR 106 -19.988 12.342 15.012 875 HE2 TYR 106 HE1 TYR 106 -15.801 12.676 14.118 876 HH TYR 106 HH TYR 106 -18.606 13.713 16.063 877 H LEU 107 HN LEU 107 -16.498 7.395 10.679 878 HA LEU 107 HA LEU 107 -18.178 5.898 8.915 879 HB2 LEU 107 HB2 LEU 107 -15.170 5.920 9.323 880 HB3 LEU 107 HB1 LEU 107 -15.972 5.074 8.007 881 HG LEU 107 HG LEU 107 -16.276 8.045 8.537 882 HD11 LEU 107 HD11 LEU 107 -14.653 6.729 6.348 883 HD12 LEU 107 HD12 LEU 107 -13.937 7.266 7.867 884 HD13 LEU 107 HD13 LEU 107 -14.692 8.436 6.785 885 HD21 LEU 107 HD21 LEU 107 -16.977 7.786 5.988 886 HD22 LEU 107 HD22 LEU 107 -18.138 7.456 7.261 887 HD23 LEU 107 HD23 LEU 107 -17.309 6.123 6.459 888 H LEU 108 HN LEU 108 -16.015 5.024 11.572 889 HA LEU 108 HA LEU 108 -16.222 2.203 11.290 890 HB2 LEU 108 HB2 LEU 108 -14.672 3.736 12.821 891 HB3 LEU 108 HB1 LEU 108 -15.942 3.474 14.013 892 HG LEU 108 HG LEU 108 -14.485 1.270 12.519 893 HD11 LEU 108 HD11 LEU 108 -13.548 0.796 14.811 894 HD12 LEU 108 HD12 LEU 108 -14.210 2.347 15.329 895 HD13 LEU 108 HD13 LEU 108 -12.967 2.293 14.079 896 HD21 LEU 108 HD21 LEU 108 -16.755 1.332 14.493 897 HD22 LEU 108 HD22 LEU 108 -15.631 -0.020 14.531 898 HD23 LEU 108 HD23 LEU 108 -16.534 0.317 13.067 899 H THR 109 HN THR 109 -18.108 4.541 13.197 900 HA THR 109 HA THR 109 -19.970 2.404 14.042 901 HB THR 109 HB THR 109 -20.946 4.096 15.487 902 HG1 THR 109 HG1 THR 109 -19.094 5.930 14.396 903 HG21 THR 109 HG21 THR 109 -18.898 3.010 16.287 904 HG22 THR 109 HG22 THR 109 -18.956 4.684 16.838 905 HG23 THR 109 HG23 THR 109 -17.918 4.237 15.483 906 H GLY 110 HN GLY 110 -19.578 4.299 11.379 907 HA2 GLY 110 HA2 GLY 110 -21.002 4.550 9.535 908 HA3 GLY 110 HA1 GLY 110 -22.310 3.854 10.489 909 H GLY 111 HN GLY 111 -23.267 5.763 9.144 910 HA2 GLY 111 HA2 GLY 111 -22.878 8.426 10.256 911 HA3 GLY 111 HA1 GLY 111 -24.056 7.971 9.026 912 H GLN 112 HN GLN 112 -24.382 5.745 11.409 913 HA GLN 112 HA GLN 112 -26.933 6.664 12.265 914 HB2 GLN 112 HB2 GLN 112 -25.057 4.530 13.313 915 HB3 GLN 112 HB1 GLN 112 -26.625 4.847 14.057 916 HG2 GLN 112 HG2 GLN 112 -26.912 3.069 12.437 917 HG3 GLN 112 HG1 GLN 112 -27.693 4.516 11.806 918 HE21 GLN 112 HE21 GLN 112 -24.798 2.466 11.487 919 HE22 GLN 112 HE22 GLN 112 -24.352 3.044 9.954 920 H LEU 113 HN LEU 113 -27.622 7.372 14.319 921 HA LEU 113 HA LEU 113 -26.011 9.425 15.467 922 HB2 LEU 113 HB2 LEU 113 -28.459 9.565 15.472 923 HB3 LEU 113 HB1 LEU 113 -28.561 8.136 16.503 924 HG LEU 113 HG LEU 113 -27.358 9.330 18.298 925 HD11 LEU 113 HD11 LEU 113 -25.901 10.841 17.271 926 HD12 LEU 113 HD12 LEU 113 -27.165 11.919 17.847 927 HD13 LEU 113 HD13 LEU 113 -27.132 11.430 16.153 928 HD21 LEU 113 HD21 LEU 113 -29.739 9.548 18.394 929 HD22 LEU 113 HD22 LEU 113 -29.744 10.750 17.102 930 HD23 LEU 113 HD23 LEU 113 -29.081 11.159 18.684 931 H GLU 114 HN GLU 114 -24.670 9.428 17.164 932 HA GLU 114 HA GLU 114 -23.671 6.993 18.259 933 HB2 GLU 114 HB2 GLU 114 -22.286 8.408 19.677 934 HB3 GLU 114 HB1 GLU 114 -22.337 9.089 18.052 935 HG2 GLU 114 HG2 GLU 114 -24.175 10.620 18.821 936 HG3 GLU 114 HG1 GLU 114 -23.948 10.005 20.456 937 H HIS 115 HN HIS 115 -24.093 5.924 20.094 938 HA HIS 115 HA HIS 115 -26.532 6.629 21.578 939 HB2 HIS 115 HB2 HIS 115 -26.302 4.405 22.579 940 HB3 HIS 115 HB1 HIS 115 -26.185 4.300 20.824 941 HD1 HIS 115 HD1 HIS 115 -23.832 3.786 19.808 942 HD2 HIS 115 HD2 HIS 115 -23.907 3.768 23.978 943 HE1 HIS 115 HE1 HIS 115 -21.645 2.752 20.561 944 H HIS 116 HN HIS 116 -23.838 8.022 21.827 945 HA HIS 116 HA HIS 116 -22.611 9.053 23.494 946 HB2 HIS 116 HB2 HIS 116 -24.935 9.518 24.344 947 HB3 HIS 116 HB1 HIS 116 -24.789 8.080 25.356 948 HD1 HIS 116 HD1 HIS 116 -23.032 8.147 27.297 949 HD2 HIS 116 HD2 HIS 116 -23.412 11.742 25.222 950 HE1 HIS 116 HE1 HIS 116 -21.855 9.906 28.689 951 H HIS 117 HN HIS 117 -21.138 8.605 25.196 952 HA HIS 117 HA HIS 117 -20.300 5.819 25.265 953 HB2 HIS 117 HB2 HIS 117 -19.155 8.270 26.652 954 HB3 HIS 117 HB1 HIS 117 -18.400 6.676 26.611 955 HD1 HIS 117 HD1 HIS 117 -17.906 5.735 24.093 956 HD2 HIS 117 HD2 HIS 117 -18.519 9.842 24.458 957 HE1 HIS 117 HE1 HIS 117 -16.987 6.787 21.980 958 H HIS 118 HN HIS 118 -20.527 4.404 26.885 959 HA HIS 118 HA HIS 118 -21.249 5.230 29.588 960 HB2 HIS 118 HB2 HIS 118 -23.444 5.263 28.475 961 HB3 HIS 118 HB1 HIS 118 -23.195 3.607 27.920 962 HD1 HIS 118 HD1 HIS 118 -23.399 5.566 31.182 963 HD2 HIS 118 HD2 HIS 118 -23.963 1.684 29.771 964 HE1 HIS 118 HE1 HIS 118 -24.342 4.231 33.117 965 H HIS 119 HN HIS 119 -19.203 4.163 29.874 966 HA HIS 119 HA HIS 119 -19.432 1.182 29.915 967 HB2 HIS 119 HB2 HIS 119 -17.792 2.034 28.216 968 HB3 HIS 119 HB1 HIS 119 -16.878 2.773 29.533 969 HD1 HIS 119 HD1 HIS 119 -18.206 -0.665 28.536 970 HD2 HIS 119 HD2 HIS 119 -15.092 1.030 30.728 971 HE1 HIS 119 HE1 HIS 119 -16.730 -2.582 29.285 972 H HIS 120 HN HIS 120 -19.321 0.330 31.852 973 HA HIS 120 HA HIS 120 -17.554 1.311 33.925 974 HB2 HIS 120 HB2 HIS 120 -19.407 2.915 34.176 975 HB3 HIS 120 HB1 HIS 120 -20.552 1.582 34.330 976 HD1 HIS 120 HD1 HIS 120 -17.398 2.866 36.055 977 HD2 HIS 120 HD2 HIS 120 -20.852 0.706 36.946 978 HE1 HIS 120 HE1 HIS 120 -17.371 2.471 38.556 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -8.070 -11.544 19.016 2 H2 MET 1 HT2 MET 1 -8.303 -10.540 20.366 3 H3 MET 1 HT3 MET 1 -6.769 -10.656 19.646 4 HA MET 1 HA MET 1 -7.777 -8.592 19.005 5 HB2 MET 1 HB2 MET 1 -7.974 -9.132 16.450 6 HB3 MET 1 HB1 MET 1 -6.429 -9.390 17.256 7 HG2 MET 1 HG2 MET 1 -6.945 -11.776 17.529 8 HG3 MET 1 HG1 MET 1 -8.522 -11.534 16.777 9 HE1 MET 1 HE1 MET 1 -6.495 -13.733 15.638 10 HE2 MET 1 HE2 MET 1 -6.901 -13.451 13.947 11 HE3 MET 1 HE3 MET 1 -8.156 -13.335 15.177 12 H THR 2 HN THR 2 -9.699 -7.551 19.016 13 HA THR 2 HA THR 2 -12.193 -9.118 18.517 14 HB THR 2 HB THR 2 -11.795 -6.368 19.747 15 HG1 THR 2 HG1 THR 2 -11.739 -7.369 21.611 16 HG21 THR 2 HG21 THR 2 -14.207 -8.123 19.293 17 HG22 THR 2 HG22 THR 2 -13.998 -6.416 18.902 18 HG23 THR 2 HG23 THR 2 -14.177 -6.919 20.582 19 H LEU 3 HN LEU 3 -10.084 -7.013 16.953 20 HA LEU 3 HA LEU 3 -11.883 -5.336 15.485 21 HB2 LEU 3 HB2 LEU 3 -9.078 -6.343 15.034 22 HB3 LEU 3 HB1 LEU 3 -9.887 -5.404 13.782 23 HG LEU 3 HG LEU 3 -8.484 -4.030 15.355 24 HD11 LEU 3 HD11 LEU 3 -11.287 -3.112 15.865 25 HD12 LEU 3 HD12 LEU 3 -10.810 -3.319 14.181 26 HD13 LEU 3 HD13 LEU 3 -9.905 -2.229 15.225 27 HD21 LEU 3 HD21 LEU 3 -9.135 -5.517 17.342 28 HD22 LEU 3 HD22 LEU 3 -10.639 -4.598 17.398 29 HD23 LEU 3 HD23 LEU 3 -9.097 -3.778 17.642 30 H GLU 4 HN GLU 4 -10.574 -8.577 14.852 31 HA GLU 4 HA GLU 4 -11.582 -8.918 12.229 32 HB2 GLU 4 HB2 GLU 4 -11.218 -10.920 14.479 33 HB3 GLU 4 HB1 GLU 4 -11.542 -11.365 12.804 34 HG2 GLU 4 HG2 GLU 4 -9.181 -9.680 13.688 35 HG3 GLU 4 HG1 GLU 4 -9.104 -11.417 13.390 36 H LEU 5 HN LEU 5 -13.096 -9.653 15.378 37 HA LEU 5 HA LEU 5 -15.567 -10.585 14.275 38 HB2 LEU 5 HB2 LEU 5 -14.940 -11.062 16.593 39 HB3 LEU 5 HB1 LEU 5 -14.964 -9.342 16.975 40 HG LEU 5 HG LEU 5 -17.370 -9.238 16.508 41 HD11 LEU 5 HD11 LEU 5 -17.816 -10.791 14.810 42 HD12 LEU 5 HD12 LEU 5 -18.502 -11.589 16.223 43 HD13 LEU 5 HD13 LEU 5 -16.922 -12.081 15.612 44 HD21 LEU 5 HD21 LEU 5 -16.824 -9.771 18.775 45 HD22 LEU 5 HD22 LEU 5 -16.476 -11.451 18.368 46 HD23 LEU 5 HD23 LEU 5 -18.135 -10.856 18.315 47 H GLN 6 HN GLN 6 -14.496 -7.398 15.411 48 HA GLN 6 HA GLN 6 -17.003 -6.076 15.040 49 HB2 GLN 6 HB2 GLN 6 -15.080 -5.190 16.375 50 HB3 GLN 6 HB1 GLN 6 -14.215 -4.894 14.869 51 HG2 GLN 6 HG2 GLN 6 -15.287 -2.831 15.580 52 HG3 GLN 6 HG1 GLN 6 -16.100 -3.420 14.132 53 HE21 GLN 6 HE21 GLN 6 -18.229 -2.658 14.537 54 HE22 GLN 6 HE22 GLN 6 -19.146 -3.114 15.891 55 H LEU 7 HN LEU 7 -14.270 -6.676 12.858 56 HA LEU 7 HA LEU 7 -15.115 -4.938 10.771 57 HB2 LEU 7 HB2 LEU 7 -12.882 -5.961 10.804 58 HB3 LEU 7 HB1 LEU 7 -13.594 -7.561 10.604 59 HG LEU 7 HG LEU 7 -14.477 -6.925 8.403 60 HD11 LEU 7 HD11 LEU 7 -13.428 -4.220 9.207 61 HD12 LEU 7 HD12 LEU 7 -14.977 -4.639 8.479 62 HD13 LEU 7 HD13 LEU 7 -13.514 -4.650 7.500 63 HD21 LEU 7 HD21 LEU 7 -11.579 -6.073 8.555 64 HD22 LEU 7 HD22 LEU 7 -12.401 -6.874 7.216 65 HD23 LEU 7 HD23 LEU 7 -12.091 -7.754 8.712 66 H LYS 8 HN LYS 8 -15.783 -8.407 11.302 67 HA LYS 8 HA LYS 8 -17.422 -8.713 8.974 68 HB2 LYS 8 HB2 LYS 8 -17.343 -10.243 11.589 69 HB3 LYS 8 HB1 LYS 8 -18.279 -10.749 10.180 70 HG2 LYS 8 HG2 LYS 8 -16.188 -10.772 8.831 71 HG3 LYS 8 HG1 LYS 8 -15.271 -10.356 10.279 72 HD2 LYS 8 HD2 LYS 8 -17.017 -12.821 9.989 73 HD3 LYS 8 HD1 LYS 8 -15.263 -12.809 9.811 74 HE2 LYS 8 HE2 LYS 8 -15.438 -13.407 12.049 75 HE3 LYS 8 HE1 LYS 8 -15.375 -11.654 12.219 76 HZ1 LYS 8 HZ1 LYS 8 -17.432 -11.632 13.015 77 HZ2 LYS 8 HZ2 LYS 8 -17.380 -13.330 13.077 78 HZ3 LYS 8 HZ3 LYS 8 -18.027 -12.546 11.715 79 H HIS 9 HN HIS 9 -18.145 -7.879 12.337 80 HA HIS 9 HA HIS 9 -20.998 -7.824 12.060 81 HB2 HIS 9 HB2 HIS 9 -19.790 -7.891 14.235 82 HB3 HIS 9 HB1 HIS 9 -19.223 -6.246 13.949 83 HD1 HIS 9 HD1 HIS 9 -22.546 -8.119 14.153 84 HD2 HIS 9 HD2 HIS 9 -20.968 -4.334 14.899 85 HE1 HIS 9 HE1 HIS 9 -24.414 -6.754 15.182 86 H TYR 10 HN TYR 10 -18.488 -5.320 11.730 87 HA TYR 10 HA TYR 10 -20.240 -3.120 11.269 88 HB2 TYR 10 HB2 TYR 10 -17.877 -2.787 11.756 89 HB3 TYR 10 HB1 TYR 10 -17.419 -3.645 10.285 90 HD1 TYR 10 HD1 TYR 10 -19.504 -0.735 11.417 91 HD2 TYR 10 HD2 TYR 10 -17.035 -2.414 8.328 92 HE1 TYR 10 HE1 TYR 10 -19.657 1.385 10.140 93 HE2 TYR 10 HE2 TYR 10 -17.191 -0.295 7.055 94 HH TYR 10 HH TYR 10 -18.718 1.643 6.889 95 H ILE 11 HN ILE 11 -18.588 -5.285 8.942 96 HA ILE 11 HA ILE 11 -19.728 -4.074 6.609 97 HB ILE 11 HB ILE 11 -18.659 -6.865 7.107 98 HG12 ILE 11 HG12 ILE 11 -17.007 -5.064 7.392 99 HG13 ILE 11 HG11 ILE 11 -16.650 -6.015 5.958 100 HG21 ILE 11 HG21 ILE 11 -19.558 -5.511 4.565 101 HG22 ILE 11 HG22 ILE 11 -20.023 -7.094 5.188 102 HG23 ILE 11 HG23 ILE 11 -18.397 -6.836 4.556 103 HD11 ILE 11 HD11 ILE 11 -17.553 -3.180 6.179 104 HD12 ILE 11 HD12 ILE 11 -18.158 -4.094 4.802 105 HD13 ILE 11 HD13 ILE 11 -16.425 -3.914 5.049 106 H THR 12 HN THR 12 -20.747 -6.894 8.551 107 HA THR 12 HA THR 12 -22.976 -7.551 6.877 108 HB THR 12 HB THR 12 -23.798 -8.747 8.967 109 HG1 THR 12 HG1 THR 12 -22.604 -7.159 10.302 110 HG21 THR 12 HG21 THR 12 -21.711 -10.261 9.014 111 HG22 THR 12 HG22 THR 12 -21.032 -9.152 7.824 112 HG23 THR 12 HG23 THR 12 -22.510 -10.043 7.459 113 H ASN 13 HN ASN 13 -22.754 -5.596 9.857 114 HA ASN 13 HA ASN 13 -25.552 -4.970 9.963 115 HB2 ASN 13 HB2 ASN 13 -23.062 -3.709 11.120 116 HB3 ASN 13 HB1 ASN 13 -24.643 -2.960 11.346 117 HD21 ASN 13 HD21 ASN 13 -24.607 -6.439 11.095 118 HD22 ASN 13 HD22 ASN 13 -24.838 -6.762 12.746 119 H LEU 14 HN LEU 14 -22.769 -3.340 8.474 120 HA LEU 14 HA LEU 14 -24.140 -0.983 7.663 121 HB2 LEU 14 HB2 LEU 14 -21.685 -1.197 7.637 122 HB3 LEU 14 HB1 LEU 14 -21.796 -2.399 6.353 123 HG LEU 14 HG LEU 14 -22.811 -0.725 4.855 124 HD11 LEU 14 HD11 LEU 14 -22.697 0.967 7.345 125 HD12 LEU 14 HD12 LEU 14 -24.008 0.789 6.176 126 HD13 LEU 14 HD13 LEU 14 -22.584 1.738 5.762 127 HD21 LEU 14 HD21 LEU 14 -20.308 -0.994 5.070 128 HD22 LEU 14 HD22 LEU 14 -20.313 0.401 6.149 129 HD23 LEU 14 HD23 LEU 14 -20.821 0.582 4.470 130 H PHE 15 HN PHE 15 -23.621 -4.077 5.970 131 HA PHE 15 HA PHE 15 -25.438 -3.170 3.791 132 HB2 PHE 15 HB2 PHE 15 -23.509 -5.487 4.094 133 HB3 PHE 15 HB1 PHE 15 -24.667 -5.395 2.764 134 HD1 PHE 15 HD2 PHE 15 -21.667 -3.864 4.280 135 HD2 PHE 15 HD1 PHE 15 -24.469 -3.699 1.026 136 HE1 PHE 15 HE2 PHE 15 -20.159 -2.317 3.059 137 HE2 PHE 15 HE1 PHE 15 -22.962 -2.153 -0.193 138 HZ PHE 15 HZ PHE 15 -20.808 -1.462 0.822 139 H ASN 16 HN ASN 16 -25.728 -4.520 6.750 140 HA ASN 16 HA ASN 16 -27.364 -5.810 7.802 141 HB2 ASN 16 HB2 ASN 16 -28.948 -5.230 5.281 142 HB3 ASN 16 HB1 ASN 16 -29.599 -5.692 6.854 143 HD21 ASN 16 HD21 ASN 16 -29.303 -3.010 4.995 144 HD22 ASN 16 HD22 ASN 16 -29.081 -1.830 6.196 145 H LEU 17 HN LEU 17 -25.386 -7.235 6.297 146 HA LEU 17 HA LEU 17 -26.855 -9.331 4.862 147 HB2 LEU 17 HB2 LEU 17 -23.904 -9.158 5.484 148 HB3 LEU 17 HB1 LEU 17 -24.661 -10.266 4.346 149 HG LEU 17 HG LEU 17 -24.989 -7.279 4.063 150 HD11 LEU 17 HD11 LEU 17 -23.091 -7.285 2.503 151 HD12 LEU 17 HD12 LEU 17 -22.800 -8.991 2.850 152 HD13 LEU 17 HD13 LEU 17 -22.564 -7.781 4.111 153 HD21 LEU 17 HD21 LEU 17 -25.263 -7.964 1.649 154 HD22 LEU 17 HD22 LEU 17 -26.508 -8.600 2.717 155 HD23 LEU 17 HD23 LEU 17 -25.196 -9.644 2.174 156 HA PRO 18 HA PRO 18 -27.271 -12.144 8.294 157 HB2 PRO 18 HB2 PRO 18 -26.200 -14.317 6.537 158 HB3 PRO 18 HB1 PRO 18 -27.734 -14.240 7.422 159 HG2 PRO 18 HG2 PRO 18 -27.641 -13.926 4.778 160 HG3 PRO 18 HG1 PRO 18 -28.767 -12.993 5.782 161 HD2 PRO 18 HD2 PRO 18 -26.206 -12.100 4.493 162 HD3 PRO 18 HD1 PRO 18 -27.732 -11.223 4.743 163 H ARG 19 HN ARG 19 -26.022 -12.992 9.954 164 HA ARG 19 HA ARG 19 -23.100 -12.648 9.747 165 HB2 ARG 19 HB2 ARG 19 -24.985 -13.258 12.037 166 HB3 ARG 19 HB1 ARG 19 -23.235 -13.197 12.234 167 HG2 ARG 19 HG2 ARG 19 -24.629 -10.869 10.919 168 HG3 ARG 19 HG1 ARG 19 -24.715 -11.031 12.670 169 HD2 ARG 19 HD2 ARG 19 -22.092 -11.113 11.160 170 HD3 ARG 19 HD1 ARG 19 -22.781 -9.622 11.803 171 HE ARG 19 HE ARG 19 -22.744 -11.521 13.907 172 HH11 ARG 19 HH21 ARG 19 -20.599 -9.782 11.837 173 HH12 ARG 19 HH22 ARG 19 -19.317 -9.721 13.001 174 HH21 ARG 19 HH11 ARG 19 -21.086 -11.447 15.432 175 HH22 ARG 19 HH12 ARG 19 -19.594 -10.664 15.036 176 H ASP 20 HN ASP 20 -25.251 -15.118 9.134 177 HA ASP 20 HA ASP 20 -23.624 -17.300 10.259 178 HB2 ASP 20 HB2 ASP 20 -25.318 -18.765 9.369 179 HB3 ASP 20 HB1 ASP 20 -26.145 -17.380 10.079 180 H GLU 21 HN GLU 21 -23.128 -15.276 7.760 181 HA GLU 21 HA GLU 21 -22.568 -17.072 5.580 182 HB2 GLU 21 HB2 GLU 21 -21.529 -14.287 6.184 183 HB3 GLU 21 HB1 GLU 21 -21.289 -15.131 4.655 184 HG2 GLU 21 HG2 GLU 21 -23.994 -14.522 5.871 185 HG3 GLU 21 HG1 GLU 21 -23.237 -13.567 4.599 186 H LYS 22 HN LYS 22 -20.631 -18.031 4.957 187 HA LYS 22 HA LYS 22 -18.638 -18.389 7.103 188 HB2 LYS 22 HB2 LYS 22 -19.462 -20.335 5.801 189 HB3 LYS 22 HB1 LYS 22 -18.794 -19.620 4.334 190 HG2 LYS 22 HG2 LYS 22 -16.537 -19.707 5.280 191 HG3 LYS 22 HG1 LYS 22 -17.176 -20.340 6.798 192 HD2 LYS 22 HD2 LYS 22 -18.028 -22.331 5.604 193 HD3 LYS 22 HD1 LYS 22 -17.369 -21.703 4.093 194 HE2 LYS 22 HE2 LYS 22 -15.100 -21.751 5.053 195 HE3 LYS 22 HE1 LYS 22 -15.752 -22.362 6.574 196 HZ1 LYS 22 HZ1 LYS 22 -14.957 -24.201 5.325 197 HZ2 LYS 22 HZ2 LYS 22 -15.793 -23.709 3.931 198 HZ3 LYS 22 HZ3 LYS 22 -16.651 -24.269 5.287 199 H TRP 23 HN TRP 23 -16.641 -17.442 7.103 200 HA TRP 23 HA TRP 23 -15.913 -15.705 4.767 201 HB2 TRP 23 HB2 TRP 23 -15.234 -15.606 7.718 202 HB3 TRP 23 HB1 TRP 23 -14.360 -14.653 6.517 203 HD1 TRP 23 HD1 TRP 23 -18.135 -15.368 7.041 204 HE1 TRP 23 HE1 TRP 23 -19.391 -13.121 6.964 205 HE3 TRP 23 HE3 TRP 23 -14.199 -12.180 6.404 206 HZ2 TRP 23 HZ2 TRP 23 -18.806 -10.337 6.673 207 HZ3 TRP 23 HZ3 TRP 23 -14.575 -9.738 6.230 208 HH2 TRP 23 HH2 TRP 23 -16.872 -8.812 6.364 209 H GLU 24 HN GLU 24 -13.975 -16.099 3.713 210 HA GLU 24 HA GLU 24 -12.374 -18.444 4.686 211 HB2 GLU 24 HB2 GLU 24 -12.775 -17.256 1.929 212 HB3 GLU 24 HB1 GLU 24 -11.587 -18.513 2.288 213 HG2 GLU 24 HG2 GLU 24 -13.362 -19.992 3.106 214 HG3 GLU 24 HG1 GLU 24 -14.563 -18.732 2.830 215 H CYS 25 HN CYS 25 -10.514 -17.896 5.631 216 HA CYS 25 HA CYS 25 -9.375 -15.229 5.338 217 HB2 CYS 25 HB2 CYS 25 -9.318 -16.517 7.475 218 HB3 CYS 25 HB1 CYS 25 -8.250 -17.691 6.707 219 HG CYS 25 HG CYS 25 -7.395 -14.984 7.778 220 H GLU 26 HN GLU 26 -8.000 -14.672 3.726 221 HA GLU 26 HA GLU 26 -6.281 -16.812 2.498 222 HB2 GLU 26 HB2 GLU 26 -8.188 -16.047 1.025 223 HB3 GLU 26 HB1 GLU 26 -7.484 -14.430 1.057 224 HG2 GLU 26 HG2 GLU 26 -6.678 -15.513 -0.935 225 HG3 GLU 26 HG1 GLU 26 -5.334 -15.459 0.205 226 H SER 27 HN SER 27 -4.402 -16.295 3.590 227 HA SER 27 HA SER 27 -3.571 -13.520 3.934 228 HB2 SER 27 HB2 SER 27 -2.396 -16.199 4.628 229 HB3 SER 27 HB1 SER 27 -1.425 -14.736 4.761 230 HG SER 27 HG SER 27 -2.416 -14.426 6.578 231 H ILE 28 HN ILE 28 -2.173 -12.407 2.648 232 HA ILE 28 HA ILE 28 -0.464 -13.848 0.718 233 HB ILE 28 HB ILE 28 -1.256 -12.395 -1.165 234 HG12 ILE 28 HG12 ILE 28 -3.600 -11.805 0.666 235 HG13 ILE 28 HG11 ILE 28 -2.296 -10.659 0.354 236 HG21 ILE 28 HG21 ILE 28 -2.078 -14.764 -0.700 237 HG22 ILE 28 HG22 ILE 28 -3.136 -13.770 -1.700 238 HG23 ILE 28 HG23 ILE 28 -3.515 -14.027 0.003 239 HD11 ILE 28 HD11 ILE 28 -2.791 -10.779 -2.073 240 HD12 ILE 28 HD12 ILE 28 -4.185 -10.216 -1.151 241 HD13 ILE 28 HD13 ILE 28 -4.126 -11.880 -1.733 242 H GLU 29 HN GLU 29 1.340 -12.603 0.077 243 HA GLU 29 HA GLU 29 1.744 -10.116 1.696 244 HB2 GLU 29 HB2 GLU 29 3.322 -12.004 2.074 245 HB3 GLU 29 HB1 GLU 29 3.796 -11.916 0.377 246 HG2 GLU 29 HG2 GLU 29 4.576 -9.630 0.667 247 HG3 GLU 29 HG1 GLU 29 3.997 -9.616 2.333 248 H GLU 30 HN GLU 30 1.599 -8.248 0.570 249 HA GLU 30 HA GLU 30 2.695 -8.151 -2.198 250 HB2 GLU 30 HB2 GLU 30 -0.116 -7.334 -1.409 251 HB3 GLU 30 HB1 GLU 30 0.661 -6.825 -2.908 252 HG2 GLU 30 HG2 GLU 30 0.952 -9.173 -3.575 253 HG3 GLU 30 HG1 GLU 30 0.214 -9.704 -2.063 254 H VAL 31 HN VAL 31 2.974 -5.889 -2.930 255 HA VAL 31 HA VAL 31 4.162 -4.276 -0.869 256 HB VAL 31 HB VAL 31 3.479 -3.678 -3.759 257 HG11 VAL 31 HG11 VAL 31 5.212 -1.836 -3.421 258 HG12 VAL 31 HG12 VAL 31 5.017 -2.095 -1.688 259 HG13 VAL 31 HG13 VAL 31 3.646 -1.557 -2.659 260 HG21 VAL 31 HG21 VAL 31 5.744 -4.237 -4.217 261 HG22 VAL 31 HG22 VAL 31 5.190 -5.500 -3.118 262 HG23 VAL 31 HG23 VAL 31 6.186 -4.178 -2.512 263 H ALA 32 HN ALA 32 3.373 -2.464 0.167 264 HA ALA 32 HA ALA 32 0.577 -2.148 0.547 265 HB1 ALA 32 HB1 ALA 32 1.172 -0.147 1.793 266 HB2 ALA 32 HB2 ALA 32 2.747 -0.086 1.007 267 HB3 ALA 32 HB3 ALA 32 2.368 -1.401 2.119 268 H ASP 33 HN ASP 33 2.847 -0.347 -1.532 269 HA ASP 33 HA ASP 33 0.902 1.604 -2.387 270 HB2 ASP 33 HB2 ASP 33 3.462 1.744 -2.510 271 HB3 ASP 33 HB1 ASP 33 3.341 0.732 -3.946 272 H ASP 34 HN ASP 34 1.264 -1.688 -3.112 273 HA ASP 34 HA ASP 34 0.044 -1.445 -5.815 274 HB2 ASP 34 HB2 ASP 34 1.174 -3.783 -4.261 275 HB3 ASP 34 HB1 ASP 34 0.358 -3.957 -5.816 276 H ILE 35 HN ILE 35 -1.092 -1.352 -2.772 277 HA ILE 35 HA ILE 35 -3.681 -2.591 -3.581 278 HB ILE 35 HB ILE 35 -3.920 -3.582 -1.315 279 HG12 ILE 35 HG12 ILE 35 -0.989 -2.861 -1.007 280 HG13 ILE 35 HG11 ILE 35 -2.305 -2.038 -0.175 281 HG21 ILE 35 HG21 ILE 35 -2.530 -5.492 -1.721 282 HG22 ILE 35 HG22 ILE 35 -1.361 -4.528 -2.623 283 HG23 ILE 35 HG23 ILE 35 -2.958 -4.842 -3.303 284 HD11 ILE 35 HD11 ILE 35 -2.985 -4.368 0.686 285 HD12 ILE 35 HD12 ILE 35 -1.544 -3.636 1.389 286 HD13 ILE 35 HD13 ILE 35 -1.385 -4.889 0.159 287 H LEU 36 HN LEU 36 -1.883 -0.323 -1.561 288 HA LEU 36 HA LEU 36 -4.408 0.826 -0.578 289 HB2 LEU 36 HB2 LEU 36 -1.512 1.180 0.109 290 HB3 LEU 36 HB1 LEU 36 -2.649 2.444 0.567 291 HG LEU 36 HG LEU 36 -3.317 -0.428 1.218 292 HD11 LEU 36 HD11 LEU 36 -2.198 0.048 3.482 293 HD12 LEU 36 HD12 LEU 36 -1.333 1.343 2.654 294 HD13 LEU 36 HD13 LEU 36 -1.129 -0.329 2.131 295 HD21 LEU 36 HD21 LEU 36 -3.835 2.216 2.629 296 HD22 LEU 36 HD22 LEU 36 -4.483 0.647 3.106 297 HD23 LEU 36 HD23 LEU 36 -4.987 1.382 1.587 298 HA PRO 37 HA PRO 37 -4.757 4.187 -3.462 299 HB2 PRO 37 HB2 PRO 37 -4.792 6.075 -1.131 300 HB3 PRO 37 HB1 PRO 37 -5.966 5.892 -2.451 301 HG2 PRO 37 HG2 PRO 37 -6.475 4.977 0.001 302 HG3 PRO 37 HG1 PRO 37 -7.013 4.103 -1.446 303 HD2 PRO 37 HD2 PRO 37 -4.762 3.447 0.420 304 HD3 PRO 37 HD1 PRO 37 -5.835 2.376 -0.506 305 H ASP 38 HN ASP 38 -3.428 5.632 -4.552 306 HA ASP 38 HA ASP 38 -0.648 5.782 -3.819 307 HB2 ASP 38 HB2 ASP 38 -0.468 7.305 -5.775 308 HB3 ASP 38 HB1 ASP 38 -1.362 5.835 -6.162 309 H GLN 39 HN GLN 39 -3.402 7.956 -3.408 310 HA GLN 39 HA GLN 39 -1.918 10.302 -2.707 311 HB2 GLN 39 HB2 GLN 39 -4.357 10.267 -3.266 312 HB3 GLN 39 HB1 GLN 39 -4.664 9.476 -1.718 313 HG2 GLN 39 HG2 GLN 39 -3.659 11.397 -0.534 314 HG3 GLN 39 HG1 GLN 39 -3.359 12.192 -2.080 315 HE21 GLN 39 HE21 GLN 39 -4.841 13.924 -1.990 316 HE22 GLN 39 HE22 GLN 39 -6.514 13.729 -1.781 317 H TYR 40 HN TYR 40 -3.138 7.581 -0.783 318 HA TYR 40 HA TYR 40 -2.146 8.764 1.717 319 HB2 TYR 40 HB2 TYR 40 -4.121 7.472 1.959 320 HB3 TYR 40 HB1 TYR 40 -3.490 6.165 0.961 321 HD1 TYR 40 HD2 TYR 40 -2.522 8.045 4.080 322 HD2 TYR 40 HD1 TYR 40 -2.779 4.245 2.085 323 HE1 TYR 40 HE2 TYR 40 -1.654 6.913 6.109 324 HE2 TYR 40 HE1 TYR 40 -1.912 3.120 4.116 325 HH TYR 40 HH TYR 40 -1.999 4.008 6.884 326 H VAL 41 HN VAL 41 -0.757 7.108 -0.861 327 HA VAL 41 HA VAL 41 1.495 6.125 0.869 328 HB VAL 41 HB VAL 41 0.393 4.976 -1.714 329 HG11 VAL 41 HG11 VAL 41 2.942 4.454 -0.181 330 HG12 VAL 41 HG12 VAL 41 2.739 4.725 -1.911 331 HG13 VAL 41 HG13 VAL 41 2.212 3.205 -1.190 332 HG21 VAL 41 HG21 VAL 41 -0.807 4.425 0.419 333 HG22 VAL 41 HG22 VAL 41 0.704 3.783 1.062 334 HG23 VAL 41 HG23 VAL 41 -0.059 3.014 -0.329 335 H ARG 42 HN ARG 42 2.898 7.834 0.677 336 HA ARG 42 HA ARG 42 3.834 8.517 -2.086 337 HB2 ARG 42 HB2 ARG 42 3.413 10.441 0.230 338 HB3 ARG 42 HB1 ARG 42 4.116 10.865 -1.330 339 HG2 ARG 42 HG2 ARG 42 1.353 9.658 -1.084 340 HG3 ARG 42 HG1 ARG 42 1.623 11.397 -0.994 341 HD2 ARG 42 HD2 ARG 42 2.794 11.252 -3.225 342 HD3 ARG 42 HD1 ARG 42 2.278 9.569 -3.317 343 HE ARG 42 HE ARG 42 0.142 11.556 -2.863 344 HH11 ARG 42 HH21 ARG 42 1.920 9.521 -5.021 345 HH12 ARG 42 HH22 ARG 42 0.695 9.528 -6.241 346 HH21 ARG 42 HH11 ARG 42 -1.451 11.582 -4.457 347 HH22 ARG 42 HH12 ARG 42 -1.209 10.698 -5.926 348 H LEU 43 HN LEU 43 5.150 10.213 0.598 349 HA LEU 43 HA LEU 43 7.685 8.681 0.304 350 HB2 LEU 43 HB2 LEU 43 7.127 11.312 1.715 351 HB3 LEU 43 HB1 LEU 43 8.714 10.618 1.388 352 HG LEU 43 HG LEU 43 6.690 11.440 -0.717 353 HD11 LEU 43 HD11 LEU 43 9.249 12.726 0.269 354 HD12 LEU 43 HD12 LEU 43 7.624 13.411 0.293 355 HD13 LEU 43 HD13 LEU 43 8.458 13.173 -1.243 356 HD21 LEU 43 HD21 LEU 43 7.921 9.727 -1.741 357 HD22 LEU 43 HD22 LEU 43 9.390 10.100 -0.840 358 HD23 LEU 43 HD23 LEU 43 8.875 11.148 -2.161 359 H GLY 44 HN GLY 44 4.983 8.573 2.189 360 HA2 GLY 44 HA2 GLY 44 5.911 8.492 4.854 361 HA3 GLY 44 HA1 GLY 44 4.537 7.563 4.254 362 HA PRO 45 HA PRO 45 8.288 4.783 5.175 363 HB2 PRO 45 HB2 PRO 45 7.397 3.642 7.519 364 HB3 PRO 45 HB1 PRO 45 8.410 5.098 7.466 365 HG2 PRO 45 HG2 PRO 45 5.468 4.856 7.879 366 HG3 PRO 45 HG1 PRO 45 6.626 5.968 8.630 367 HD2 PRO 45 HD2 PRO 45 4.946 6.698 6.568 368 HD3 PRO 45 HD1 PRO 45 6.512 7.481 6.876 369 H LEU 46 HN LEU 46 4.884 4.569 4.913 370 HA LEU 46 HA LEU 46 4.777 1.638 4.744 371 HB2 LEU 46 HB2 LEU 46 2.717 3.749 4.009 372 HB3 LEU 46 HB1 LEU 46 2.413 2.019 4.171 373 HG LEU 46 HG LEU 46 3.399 3.830 6.398 374 HD11 LEU 46 HD11 LEU 46 1.173 3.692 7.310 375 HD12 LEU 46 HD12 LEU 46 0.678 2.535 6.072 376 HD13 LEU 46 HD13 LEU 46 1.022 4.208 5.630 377 HD21 LEU 46 HD21 LEU 46 2.830 0.874 6.192 378 HD22 LEU 46 HD22 LEU 46 2.587 1.702 7.730 379 HD23 LEU 46 HD23 LEU 46 4.178 1.695 6.978 380 H SER 47 HN SER 47 5.779 4.143 2.733 381 HA SER 47 HA SER 47 4.789 3.112 0.210 382 HB2 SER 47 HB2 SER 47 6.867 5.151 0.989 383 HB3 SER 47 HB1 SER 47 6.662 4.661 -0.692 384 HG SER 47 HG SER 47 4.538 5.533 0.977 385 H ASN 48 HN ASN 48 5.773 1.715 -1.203 386 HA ASN 48 HA ASN 48 7.160 -0.044 -1.875 387 HB2 ASN 48 HB2 ASN 48 9.177 1.906 -0.737 388 HB3 ASN 48 HB1 ASN 48 9.642 0.412 -1.549 389 HD21 ASN 48 HD21 ASN 48 10.341 2.962 -2.654 390 HD22 ASN 48 HD22 ASN 48 9.472 3.175 -4.097 391 H LYS 49 HN LYS 49 5.959 -0.177 0.824 392 HA LYS 49 HA LYS 49 8.034 -1.814 2.251 393 HB2 LYS 49 HB2 LYS 49 7.073 0.097 3.532 394 HB3 LYS 49 HB1 LYS 49 5.470 -0.619 3.348 395 HG2 LYS 49 HG2 LYS 49 6.206 -2.637 4.527 396 HG3 LYS 49 HG1 LYS 49 7.839 -1.986 4.658 397 HD2 LYS 49 HD2 LYS 49 6.977 -0.095 5.993 398 HD3 LYS 49 HD1 LYS 49 5.348 -0.762 5.877 399 HE2 LYS 49 HE2 LYS 49 6.093 -2.810 7.023 400 HE3 LYS 49 HE1 LYS 49 7.731 -2.163 7.125 401 HZ1 LYS 49 HZ1 LYS 49 6.607 -1.764 9.180 402 HZ2 LYS 49 HZ2 LYS 49 5.293 -1.037 8.389 403 HZ3 LYS 49 HZ3 LYS 49 6.812 -0.277 8.393 404 H ILE 50 HN ILE 50 7.666 -3.975 2.479 405 HA ILE 50 HA ILE 50 5.342 -5.136 1.105 406 HB ILE 50 HB ILE 50 7.471 -6.577 2.707 407 HG12 ILE 50 HG12 ILE 50 8.666 -5.144 1.178 408 HG13 ILE 50 HG11 ILE 50 8.658 -6.762 0.479 409 HG21 ILE 50 HG21 ILE 50 5.615 -7.973 2.031 410 HG22 ILE 50 HG22 ILE 50 6.996 -8.356 1.007 411 HG23 ILE 50 HG23 ILE 50 5.687 -7.351 0.383 412 HD11 ILE 50 HD11 ILE 50 8.071 -5.352 -1.331 413 HD12 ILE 50 HD12 ILE 50 7.010 -4.366 -0.328 414 HD13 ILE 50 HD13 ILE 50 6.527 -6.001 -0.779 415 H LEU 51 HN LEU 51 3.451 -5.439 2.139 416 HA LEU 51 HA LEU 51 3.479 -5.957 5.099 417 HB2 LEU 51 HB2 LEU 51 1.404 -4.460 3.468 418 HB3 LEU 51 HB1 LEU 51 1.329 -4.765 5.203 419 HG LEU 51 HG LEU 51 3.500 -3.181 3.793 420 HD11 LEU 51 HD11 LEU 51 2.469 -1.218 4.663 421 HD12 LEU 51 HD12 LEU 51 1.403 -2.151 5.714 422 HD13 LEU 51 HD13 LEU 51 1.150 -2.161 3.968 423 HD21 LEU 51 HD21 LEU 51 4.564 -4.017 5.703 424 HD22 LEU 51 HD22 LEU 51 3.073 -4.065 6.644 425 HD23 LEU 51 HD23 LEU 51 3.872 -2.524 6.332 426 H GLN 52 HN GLN 52 2.035 -7.486 5.876 427 HA GLN 52 HA GLN 52 1.233 -9.525 3.941 428 HB2 GLN 52 HB2 GLN 52 0.829 -9.307 6.942 429 HB3 GLN 52 HB1 GLN 52 0.476 -10.742 5.978 430 HG2 GLN 52 HG2 GLN 52 3.200 -9.422 6.160 431 HG3 GLN 52 HG1 GLN 52 2.720 -10.849 7.079 432 HE21 GLN 52 HE21 GLN 52 4.632 -10.241 4.596 433 HE22 GLN 52 HE22 GLN 52 4.273 -11.529 3.551 434 H THR 53 HN THR 53 -0.596 -9.145 2.779 435 HA THR 53 HA THR 53 -2.845 -7.659 4.051 436 HB THR 53 HB THR 53 -2.299 -8.451 1.176 437 HG1 THR 53 HG1 THR 53 -2.493 -5.845 2.184 438 HG21 THR 53 HG21 THR 53 -4.662 -8.395 1.400 439 HG22 THR 53 HG22 THR 53 -4.221 -6.807 0.775 440 HG23 THR 53 HG23 THR 53 -4.603 -7.005 2.486 441 H ASN 54 HN ASN 54 -4.474 -8.836 4.895 442 HA ASN 54 HA ASN 54 -4.859 -11.648 3.958 443 HB2 ASN 54 HB2 ASN 54 -4.447 -11.099 6.425 444 HB3 ASN 54 HB1 ASN 54 -6.053 -10.373 6.421 445 HD21 ASN 54 HD21 ASN 54 -7.682 -11.802 7.005 446 HD22 ASN 54 HD22 ASN 54 -7.628 -13.486 6.799 447 H THR 55 HN THR 55 -6.249 -11.529 2.244 448 HA THR 55 HA THR 55 -8.589 -9.715 2.382 449 HB THR 55 HB THR 55 -7.559 -11.543 0.189 450 HG1 THR 55 HG1 THR 55 -7.225 -8.885 0.907 451 HG21 THR 55 HG21 THR 55 -9.207 -10.151 -1.194 452 HG22 THR 55 HG22 THR 55 -9.928 -9.673 0.343 453 HG23 THR 55 HG23 THR 55 -9.912 -11.372 -0.135 454 H TYR 56 HN TYR 56 -10.677 -10.454 2.641 455 HA TYR 56 HA TYR 56 -11.001 -13.363 3.267 456 HB2 TYR 56 HB2 TYR 56 -12.641 -10.921 3.999 457 HB3 TYR 56 HB1 TYR 56 -13.104 -12.580 4.386 458 HD1 TYR 56 HD1 TYR 56 -11.667 -13.969 5.878 459 HD2 TYR 56 HD2 TYR 56 -10.902 -9.794 5.215 460 HE1 TYR 56 HE1 TYR 56 -10.189 -13.925 7.867 461 HE2 TYR 56 HE2 TYR 56 -9.424 -9.749 7.206 462 HH TYR 56 HH TYR 56 -8.878 -12.691 9.152 463 H TYR 57 HN TYR 57 -12.294 -14.599 1.981 464 HA TYR 57 HA TYR 57 -13.875 -13.218 -0.169 465 HB2 TYR 57 HB2 TYR 57 -12.404 -15.866 -0.154 466 HB3 TYR 57 HB1 TYR 57 -13.532 -15.385 -1.425 467 HD1 TYR 57 HD2 TYR 57 -13.096 -13.254 -2.715 468 HD2 TYR 57 HD1 TYR 57 -10.178 -15.013 -0.101 469 HE1 TYR 57 HE2 TYR 57 -11.317 -11.917 -3.805 470 HE2 TYR 57 HE1 TYR 57 -8.396 -13.675 -1.191 471 HH TYR 57 HH TYR 57 -9.107 -11.093 -3.360 472 H SER 58 HN SER 58 -16.032 -13.494 0.013 473 HA SER 58 HA SER 58 -17.074 -16.009 1.249 474 HB2 SER 58 HB2 SER 58 -18.250 -13.288 1.837 475 HB3 SER 58 HB1 SER 58 -18.625 -14.819 2.615 476 HG SER 58 HG SER 58 -17.100 -13.295 3.704 477 H ASP 59 HN ASP 59 -19.174 -16.592 0.471 478 HA ASP 59 HA ASP 59 -19.653 -15.990 -2.278 479 HB2 ASP 59 HB2 ASP 59 -21.803 -17.210 -1.901 480 HB3 ASP 59 HB1 ASP 59 -20.404 -18.076 -1.264 481 H THR 60 HN THR 60 -21.275 -14.829 0.686 482 HA THR 60 HA THR 60 -23.228 -13.232 -0.663 483 HB THR 60 HB THR 60 -22.034 -12.928 2.105 484 HG1 THR 60 HG1 THR 60 -24.251 -14.334 1.049 485 HG21 THR 60 HG21 THR 60 -23.154 -10.885 1.505 486 HG22 THR 60 HG22 THR 60 -24.244 -11.792 2.554 487 HG23 THR 60 HG23 THR 60 -24.512 -11.771 0.811 488 H LEU 61 HN LEU 61 -20.043 -12.414 0.718 489 HA LEU 61 HA LEU 61 -20.143 -9.632 0.065 490 HB2 LEU 61 HB2 LEU 61 -17.784 -11.505 0.412 491 HB3 LEU 61 HB1 LEU 61 -17.649 -9.754 0.298 492 HG LEU 61 HG LEU 61 -19.266 -11.228 2.400 493 HD11 LEU 61 HD11 LEU 61 -16.997 -11.653 2.919 494 HD12 LEU 61 HD12 LEU 61 -17.399 -10.243 3.896 495 HD13 LEU 61 HD13 LEU 61 -16.484 -10.049 2.400 496 HD21 LEU 61 HD21 LEU 61 -20.279 -9.134 2.319 497 HD22 LEU 61 HD22 LEU 61 -18.820 -8.323 1.749 498 HD23 LEU 61 HD23 LEU 61 -18.969 -8.789 3.442 499 H HIS 62 HN HIS 62 -18.967 -12.457 -1.730 500 HA HIS 62 HA HIS 62 -17.759 -11.102 -3.898 501 HB2 HIS 62 HB2 HIS 62 -17.620 -13.544 -3.538 502 HB3 HIS 62 HB1 HIS 62 -19.330 -13.697 -3.942 503 HD1 HIS 62 HD1 HIS 62 -19.968 -13.692 -6.394 504 HD2 HIS 62 HD2 HIS 62 -15.959 -12.726 -5.787 505 HE1 HIS 62 HE1 HIS 62 -18.887 -13.655 -8.683 506 H LYS 63 HN LYS 63 -21.152 -12.078 -3.411 507 HA LYS 63 HA LYS 63 -22.111 -11.127 -5.932 508 HB2 LYS 63 HB2 LYS 63 -23.474 -11.507 -3.259 509 HB3 LYS 63 HB1 LYS 63 -24.342 -11.064 -4.728 510 HG2 LYS 63 HG2 LYS 63 -23.438 -13.104 -5.840 511 HG3 LYS 63 HG1 LYS 63 -22.675 -13.567 -4.321 512 HD2 LYS 63 HD2 LYS 63 -25.643 -13.027 -4.525 513 HD3 LYS 63 HD1 LYS 63 -24.965 -14.623 -4.829 514 HE2 LYS 63 HE2 LYS 63 -23.864 -14.446 -2.533 515 HE3 LYS 63 HE1 LYS 63 -24.886 -13.033 -2.260 516 HZ1 LYS 63 HZ1 LYS 63 -25.904 -15.060 -1.413 517 HZ2 LYS 63 HZ2 LYS 63 -25.861 -15.746 -2.967 518 HZ3 LYS 63 HZ3 LYS 63 -26.830 -14.384 -2.663 519 H SER 64 HN SER 64 -21.720 -9.579 -2.772 520 HA SER 64 HA SER 64 -22.920 -7.070 -3.618 521 HB2 SER 64 HB2 SER 64 -21.175 -7.788 -1.244 522 HB3 SER 64 HB1 SER 64 -21.968 -6.230 -1.459 523 HG SER 64 HG SER 64 -23.580 -7.202 -0.509 524 H ASN 65 HN ASN 65 -20.063 -8.574 -4.398 525 HA ASN 65 HA ASN 65 -18.093 -7.846 -5.414 526 HB2 ASN 65 HB2 ASN 65 -19.836 -6.496 -6.732 527 HB3 ASN 65 HB1 ASN 65 -19.405 -5.137 -5.693 528 HD21 ASN 65 HD21 ASN 65 -16.619 -6.938 -5.908 529 HD22 ASN 65 HD22 ASN 65 -15.891 -6.173 -7.236 530 H ILE 66 HN ILE 66 -18.274 -7.712 -2.589 531 HA ILE 66 HA ILE 66 -16.536 -5.340 -1.988 532 HB ILE 66 HB ILE 66 -18.490 -6.808 -0.196 533 HG12 ILE 66 HG12 ILE 66 -18.369 -3.903 -1.065 534 HG13 ILE 66 HG11 ILE 66 -19.388 -5.118 -1.834 535 HG21 ILE 66 HG21 ILE 66 -16.265 -4.866 0.395 536 HG22 ILE 66 HG22 ILE 66 -16.753 -6.300 1.288 537 HG23 ILE 66 HG23 ILE 66 -17.721 -4.837 1.387 538 HD11 ILE 66 HD11 ILE 66 -19.565 -4.020 0.967 539 HD12 ILE 66 HD12 ILE 66 -20.311 -5.561 0.546 540 HD13 ILE 66 HD13 ILE 66 -20.820 -4.082 -0.268 541 H TYR 67 HN TYR 67 -14.516 -5.832 -1.302 542 HA TYR 67 HA TYR 67 -13.949 -8.664 -0.446 543 HB2 TYR 67 HB2 TYR 67 -12.138 -6.812 -2.014 544 HB3 TYR 67 HB1 TYR 67 -11.798 -8.483 -1.558 545 HD1 TYR 67 HD1 TYR 67 -13.544 -10.278 -2.315 546 HD2 TYR 67 HD2 TYR 67 -13.189 -6.371 -4.067 547 HE1 TYR 67 HE1 TYR 67 -14.724 -11.080 -4.343 548 HE2 TYR 67 HE2 TYR 67 -14.367 -7.174 -6.096 549 HH TYR 67 HH TYR 67 -15.179 -10.580 -6.521 550 HA PRO 68 HA PRO 68 -12.775 -5.841 3.050 551 HB2 PRO 68 HB2 PRO 68 -13.076 -8.387 4.567 552 HB3 PRO 68 HB1 PRO 68 -13.784 -6.792 4.894 553 HG2 PRO 68 HG2 PRO 68 -15.266 -8.810 3.961 554 HG3 PRO 68 HG1 PRO 68 -15.554 -7.135 3.456 555 HD2 PRO 68 HD2 PRO 68 -14.173 -9.343 1.953 556 HD3 PRO 68 HD1 PRO 68 -15.280 -8.089 1.351 557 H PHE 69 HN PHE 69 -10.729 -5.658 4.076 558 HA PHE 69 HA PHE 69 -8.907 -7.976 4.027 559 HB2 PHE 69 HB2 PHE 69 -7.187 -6.833 2.711 560 HB3 PHE 69 HB1 PHE 69 -8.667 -6.978 1.765 561 HD1 PHE 69 HD1 PHE 69 -10.103 -5.027 1.358 562 HD2 PHE 69 HD2 PHE 69 -6.409 -4.675 3.518 563 HE1 PHE 69 HE1 PHE 69 -10.173 -2.563 1.077 564 HE2 PHE 69 HE2 PHE 69 -6.476 -2.212 3.233 565 HZ PHE 69 HZ PHE 69 -8.358 -1.157 2.011 566 H ILE 70 HN ILE 70 -7.020 -7.648 5.309 567 HA ILE 70 HA ILE 70 -6.914 -5.132 6.913 568 HB ILE 70 HB ILE 70 -6.854 -7.953 8.038 569 HG12 ILE 70 HG12 ILE 70 -8.731 -5.645 8.620 570 HG13 ILE 70 HG11 ILE 70 -9.108 -6.944 7.490 571 HG21 ILE 70 HG21 ILE 70 -5.227 -6.621 9.219 572 HG22 ILE 70 HG22 ILE 70 -6.667 -6.679 10.233 573 HG23 ILE 70 HG23 ILE 70 -6.318 -5.238 9.279 574 HD11 ILE 70 HD11 ILE 70 -10.042 -7.350 9.771 575 HD12 ILE 70 HD12 ILE 70 -8.398 -7.361 10.406 576 HD13 ILE 70 HD13 ILE 70 -8.912 -8.603 9.264 577 H LEU 71 HN LEU 71 -4.802 -4.504 7.391 578 HA LEU 71 HA LEU 71 -2.653 -6.139 6.100 579 HB2 LEU 71 HB2 LEU 71 -2.577 -3.257 7.034 580 HB3 LEU 71 HB1 LEU 71 -1.383 -4.076 6.025 581 HG LEU 71 HG LEU 71 -4.271 -3.521 5.292 582 HD11 LEU 71 HD11 LEU 71 -2.591 -1.607 5.262 583 HD12 LEU 71 HD12 LEU 71 -3.406 -1.937 3.734 584 HD13 LEU 71 HD13 LEU 71 -1.749 -2.487 3.986 585 HD21 LEU 71 HD21 LEU 71 -3.799 -5.540 4.189 586 HD22 LEU 71 HD22 LEU 71 -2.096 -5.136 3.963 587 HD23 LEU 71 HD23 LEU 71 -3.332 -4.341 2.989 588 H TYR 72 HN TYR 72 -0.948 -6.898 7.260 589 HA TYR 72 HA TYR 72 -0.820 -6.235 10.181 590 HB2 TYR 72 HB2 TYR 72 -0.538 -8.925 8.818 591 HB3 TYR 72 HB1 TYR 72 -0.067 -8.622 10.490 592 HD1 TYR 72 HD1 TYR 72 -1.764 -7.962 12.175 593 HD2 TYR 72 HD2 TYR 72 -2.854 -9.087 8.176 594 HE1 TYR 72 HE1 TYR 72 -4.113 -8.267 12.903 595 HE2 TYR 72 HE2 TYR 72 -5.206 -9.390 8.904 596 HH TYR 72 HH TYR 72 -6.551 -9.598 10.729 597 H TYR 73 HN TYR 73 1.289 -6.339 11.098 598 HA TYR 73 HA TYR 73 3.584 -6.749 9.287 599 HB2 TYR 73 HB2 TYR 73 3.008 -4.373 8.957 600 HB3 TYR 73 HB1 TYR 73 3.079 -4.104 10.698 601 HD1 TYR 73 HD1 TYR 73 5.124 -5.393 7.842 602 HD2 TYR 73 HD2 TYR 73 5.123 -3.505 11.699 603 HE1 TYR 73 HE1 TYR 73 7.573 -5.044 7.670 604 HE2 TYR 73 HE2 TYR 73 7.573 -3.157 11.529 605 HH TYR 73 HH TYR 73 9.246 -3.084 8.990 606 H GLN 74 HN GLN 74 3.787 -8.528 10.829 607 HA GLN 74 HA GLN 74 4.668 -9.554 12.736 608 HB2 GLN 74 HB2 GLN 74 6.165 -6.922 12.901 609 HB3 GLN 74 HB1 GLN 74 6.592 -8.397 13.768 610 HG2 GLN 74 HG2 GLN 74 6.431 -8.159 10.750 611 HG3 GLN 74 HG1 GLN 74 7.925 -8.109 11.685 612 HE21 GLN 74 HE21 GLN 74 6.215 -10.202 9.827 613 HE22 GLN 74 HE22 GLN 74 6.582 -11.668 10.600 614 H LYS 75 HN LYS 75 4.750 -6.215 13.981 615 HA LYS 75 HA LYS 75 3.892 -6.727 16.557 616 HB2 LYS 75 HB2 LYS 75 4.579 -4.497 15.497 617 HB3 LYS 75 HB1 LYS 75 2.894 -4.339 15.004 618 HG2 LYS 75 HG2 LYS 75 2.150 -4.446 17.315 619 HG3 LYS 75 HG1 LYS 75 3.789 -4.793 17.865 620 HD2 LYS 75 HD2 LYS 75 3.505 -2.472 18.270 621 HD3 LYS 75 HD1 LYS 75 4.457 -2.554 16.790 622 HE2 LYS 75 HE2 LYS 75 2.520 -2.100 15.427 623 HE3 LYS 75 HE1 LYS 75 1.438 -2.284 16.806 624 HZ1 LYS 75 HZ1 LYS 75 3.533 -0.198 16.538 625 HZ2 LYS 75 HZ2 LYS 75 2.446 -0.363 17.833 626 HZ3 LYS 75 HZ3 LYS 75 1.874 0.046 16.286 627 H GLN 76 HN GLN 76 1.527 -5.300 14.279 628 HA GLN 76 HA GLN 76 -0.406 -7.427 14.756 629 HB2 GLN 76 HB2 GLN 76 -2.028 -6.089 16.003 630 HB3 GLN 76 HB1 GLN 76 -0.513 -6.152 16.902 631 HG2 GLN 76 HG2 GLN 76 0.110 -3.948 15.853 632 HG3 GLN 76 HG1 GLN 76 -1.514 -3.872 15.173 633 HE21 GLN 76 HE21 GLN 76 -1.619 -1.843 16.615 634 HE22 GLN 76 HE22 GLN 76 -2.083 -2.059 18.233 635 H LEU 77 HN LEU 77 -2.711 -5.747 14.334 636 HA LEU 77 HA LEU 77 -2.605 -5.517 11.473 637 HB2 LEU 77 HB2 LEU 77 -4.868 -4.603 11.658 638 HB3 LEU 77 HB1 LEU 77 -4.683 -6.013 12.693 639 HG LEU 77 HG LEU 77 -3.943 -3.983 14.430 640 HD11 LEU 77 HD11 LEU 77 -5.378 -2.106 14.189 641 HD12 LEU 77 HD12 LEU 77 -6.333 -2.891 12.934 642 HD13 LEU 77 HD13 LEU 77 -4.693 -2.352 12.583 643 HD21 LEU 77 HD21 LEU 77 -6.152 -4.288 15.452 644 HD22 LEU 77 HD22 LEU 77 -5.540 -5.839 14.876 645 HD23 LEU 77 HD23 LEU 77 -6.773 -4.980 13.954 646 H ILE 78 HN ILE 78 -2.327 -3.713 10.183 647 HA ILE 78 HA ILE 78 -1.437 -1.206 11.563 648 HB ILE 78 HB ILE 78 -0.844 -2.241 8.774 649 HG12 ILE 78 HG12 ILE 78 0.193 -3.411 10.876 650 HG13 ILE 78 HG11 ILE 78 1.250 -2.957 9.546 651 HG21 ILE 78 HG21 ILE 78 -0.034 0.255 10.257 652 HG22 ILE 78 HG22 ILE 78 -0.721 0.108 8.639 653 HG23 ILE 78 HG23 ILE 78 0.944 -0.391 8.939 654 HD11 ILE 78 HD11 ILE 78 2.204 -1.185 10.728 655 HD12 ILE 78 HD12 ILE 78 1.934 -2.359 12.013 656 HD13 ILE 78 HD13 ILE 78 0.819 -1.014 11.803 657 H ALA 79 HN ALA 79 -3.798 -2.540 9.356 658 HA ALA 79 HA ALA 79 -5.244 -0.009 9.427 659 HB1 ALA 79 HB1 ALA 79 -4.382 -0.990 6.699 660 HB2 ALA 79 HB2 ALA 79 -3.502 0.262 7.577 661 HB3 ALA 79 HB3 ALA 79 -5.179 0.527 7.107 662 H ILE 80 HN ILE 80 -7.399 -0.214 8.643 663 HA ILE 80 HA ILE 80 -8.247 -2.982 7.866 664 HB ILE 80 HB ILE 80 -9.618 -1.151 9.866 665 HG12 ILE 80 HG12 ILE 80 -8.340 -3.883 10.211 666 HG13 ILE 80 HG11 ILE 80 -7.585 -2.363 10.683 667 HG21 ILE 80 HG21 ILE 80 -11.153 -3.142 10.112 668 HG22 ILE 80 HG22 ILE 80 -10.374 -3.847 8.697 669 HG23 ILE 80 HG23 ILE 80 -11.272 -2.339 8.550 670 HD11 ILE 80 HD11 ILE 80 -9.617 -1.918 12.128 671 HD12 ILE 80 HD12 ILE 80 -8.621 -3.273 12.655 672 HD13 ILE 80 HD13 ILE 80 -10.130 -3.570 11.791 673 H GLY 81 HN GLY 81 -9.622 -2.983 6.118 674 HA2 GLY 81 HA2 GLY 81 -11.450 -0.844 5.546 675 HA3 GLY 81 HA1 GLY 81 -10.001 -0.663 4.561 676 H PHE 82 HN PHE 82 -12.413 -1.135 3.301 677 HA PHE 82 HA PHE 82 -11.950 -3.877 2.204 678 HB2 PHE 82 HB2 PHE 82 -14.335 -4.342 2.170 679 HB3 PHE 82 HB1 PHE 82 -13.873 -3.941 3.822 680 HD1 PHE 82 HD2 PHE 82 -15.543 -2.693 0.763 681 HD2 PHE 82 HD1 PHE 82 -14.657 -1.931 4.895 682 HE1 PHE 82 HE2 PHE 82 -17.221 -0.870 0.784 683 HE2 PHE 82 HE1 PHE 82 -16.329 -0.100 4.911 684 HZ PHE 82 HZ PHE 82 -17.613 0.428 2.859 685 H ILE 83 HN ILE 83 -12.582 -4.094 -0.015 686 HA ILE 83 HA ILE 83 -12.552 -1.494 -1.435 687 HB ILE 83 HB ILE 83 -12.369 -4.357 -2.420 688 HG12 ILE 83 HG12 ILE 83 -10.290 -2.159 -2.417 689 HG13 ILE 83 HG11 ILE 83 -10.437 -3.333 -1.111 690 HG21 ILE 83 HG21 ILE 83 -11.631 -3.159 -4.565 691 HG22 ILE 83 HG22 ILE 83 -12.347 -1.703 -3.873 692 HG23 ILE 83 HG23 ILE 83 -13.356 -3.112 -4.201 693 HD11 ILE 83 HD11 ILE 83 -10.169 -4.192 -3.992 694 HD12 ILE 83 HD12 ILE 83 -9.894 -5.148 -2.535 695 HD13 ILE 83 HD13 ILE 83 -8.758 -3.875 -2.984 696 H ASP 84 HN ASP 84 -14.399 -0.558 -2.035 697 HA ASP 84 HA ASP 84 -16.981 -1.810 -1.777 698 HB2 ASP 84 HB2 ASP 84 -16.419 0.642 -3.461 699 HB3 ASP 84 HB1 ASP 84 -17.863 0.258 -2.525 700 H GLU 85 HN GLU 85 -18.236 -0.888 -4.174 701 HA GLU 85 HA GLU 85 -18.285 -3.075 -5.836 702 HB2 GLU 85 HB2 GLU 85 -18.544 -0.151 -6.606 703 HB3 GLU 85 HB1 GLU 85 -19.025 -1.490 -7.649 704 HG2 GLU 85 HG2 GLU 85 -20.091 -1.051 -4.843 705 HG3 GLU 85 HG1 GLU 85 -20.931 -0.543 -6.309 706 H ASN 86 HN ASN 86 -16.160 -3.926 -5.978 707 HA ASN 86 HA ASN 86 -13.966 -4.136 -6.774 708 HB2 ASN 86 HB2 ASN 86 -15.542 -4.801 -8.632 709 HB3 ASN 86 HB1 ASN 86 -15.288 -3.200 -9.330 710 HD21 ASN 86 HD21 ASN 86 -13.784 -6.337 -8.739 711 HD22 ASN 86 HD22 ASN 86 -12.372 -6.036 -9.632 712 H HIS 87 HN HIS 87 -14.488 -1.451 -5.652 713 HA HIS 87 HA HIS 87 -12.082 -0.165 -6.475 714 HB2 HIS 87 HB2 HIS 87 -13.332 0.398 -8.533 715 HB3 HIS 87 HB1 HIS 87 -14.599 1.146 -7.564 716 HD1 HIS 87 HD1 HIS 87 -10.796 1.489 -7.926 717 HD2 HIS 87 HD2 HIS 87 -14.167 3.847 -7.244 718 HE1 HIS 87 HE1 HIS 87 -9.985 3.887 -7.822 719 H ASP 88 HN ASP 88 -12.145 2.260 -5.637 720 HA ASP 88 HA ASP 88 -12.266 3.629 -3.766 721 HB2 ASP 88 HB2 ASP 88 -15.081 2.533 -3.853 722 HB3 ASP 88 HB1 ASP 88 -14.569 3.727 -2.662 723 H MET 89 HN MET 89 -11.203 3.263 -1.962 724 HA MET 89 HA MET 89 -11.731 0.762 -0.409 725 HB2 MET 89 HB2 MET 89 -9.323 2.575 -0.670 726 HB3 MET 89 HB1 MET 89 -9.467 1.397 0.640 727 HG2 MET 89 HG2 MET 89 -9.736 -0.411 -0.988 728 HG3 MET 89 HG1 MET 89 -9.657 0.743 -2.315 729 HE1 MET 89 HE1 MET 89 -6.138 1.026 -3.171 730 HE2 MET 89 HE2 MET 89 -7.728 1.783 -3.248 731 HE3 MET 89 HE3 MET 89 -7.547 0.082 -3.675 732 H ASP 90 HN ASP 90 -13.007 1.077 1.303 733 HA ASP 90 HA ASP 90 -13.130 3.761 2.588 734 HB2 ASP 90 HB2 ASP 90 -15.255 2.709 1.908 735 HB3 ASP 90 HB1 ASP 90 -14.884 1.310 2.913 736 H PHE 91 HN PHE 91 -11.847 4.045 4.335 737 HA PHE 91 HA PHE 91 -10.989 1.658 5.915 738 HB2 PHE 91 HB2 PHE 91 -9.934 4.502 5.978 739 HB3 PHE 91 HB1 PHE 91 -9.213 3.090 6.754 740 HD1 PHE 91 HD2 PHE 91 -8.501 1.123 5.270 741 HD2 PHE 91 HD1 PHE 91 -9.433 5.024 3.728 742 HE1 PHE 91 HE2 PHE 91 -7.298 0.579 3.173 743 HE2 PHE 91 HE1 PHE 91 -8.231 4.476 1.627 744 HZ PHE 91 HZ PHE 91 -7.168 2.254 1.356 745 H LEU 92 HN LEU 92 -11.594 1.441 8.026 746 HA LEU 92 HA LEU 92 -13.413 3.528 9.181 747 HB2 LEU 92 HB2 LEU 92 -13.899 1.437 10.760 748 HB3 LEU 92 HB1 LEU 92 -14.674 1.565 9.183 749 HG LEU 92 HG LEU 92 -11.984 0.223 9.290 750 HD11 LEU 92 HD11 LEU 92 -14.543 -0.952 10.377 751 HD12 LEU 92 HD12 LEU 92 -12.945 -0.918 11.124 752 HD13 LEU 92 HD13 LEU 92 -13.246 -1.961 9.739 753 HD21 LEU 92 HD21 LEU 92 -12.818 -0.994 7.427 754 HD22 LEU 92 HD22 LEU 92 -13.440 0.635 7.184 755 HD23 LEU 92 HD23 LEU 92 -14.492 -0.625 7.821 756 H TYR 93 HN TYR 93 -10.483 1.672 9.636 757 HA TYR 93 HA TYR 93 -9.772 3.414 11.925 758 HB2 TYR 93 HB2 TYR 93 -10.797 1.348 12.888 759 HB3 TYR 93 HB1 TYR 93 -9.582 0.395 12.040 760 HD1 TYR 93 HD2 TYR 93 -9.960 3.191 14.491 761 HD2 TYR 93 HD1 TYR 93 -7.454 0.031 13.007 762 HE1 TYR 93 HE2 TYR 93 -8.366 3.580 16.350 763 HE2 TYR 93 HE1 TYR 93 -5.861 0.422 14.867 764 HH TYR 93 HH TYR 93 -5.564 1.467 16.841 765 H LEU 94 HN LEU 94 -7.934 4.315 11.113 766 HA LEU 94 HA LEU 94 -5.993 2.520 9.691 767 HB2 LEU 94 HB2 LEU 94 -6.968 4.385 8.322 768 HB3 LEU 94 HB1 LEU 94 -6.265 5.533 9.459 769 HG LEU 94 HG LEU 94 -4.010 4.586 8.971 770 HD11 LEU 94 HD11 LEU 94 -4.020 3.246 6.683 771 HD12 LEU 94 HD12 LEU 94 -5.648 2.802 7.190 772 HD13 LEU 94 HD13 LEU 94 -4.263 2.399 8.207 773 HD21 LEU 94 HD21 LEU 94 -5.701 5.701 6.726 774 HD22 LEU 94 HD22 LEU 94 -3.968 5.439 6.538 775 HD23 LEU 94 HD23 LEU 94 -4.561 6.557 7.765 776 H HIS 95 HN HIS 95 -4.148 2.141 10.775 777 HA HIS 95 HA HIS 95 -3.148 4.200 12.698 778 HB2 HIS 95 HB2 HIS 95 -4.285 2.422 13.965 779 HB3 HIS 95 HB1 HIS 95 -3.255 1.218 13.188 780 HD1 HIS 95 HD1 HIS 95 -0.984 3.806 13.475 781 HD2 HIS 95 HD2 HIS 95 -2.764 1.369 16.350 782 HE1 HIS 95 HE1 HIS 95 0.521 3.896 15.512 783 H ASN 96 HN ASN 96 -1.335 4.878 11.657 784 HA ASN 96 HA ASN 96 0.394 2.874 10.295 785 HB2 ASN 96 HB2 ASN 96 1.559 4.844 9.377 786 HB3 ASN 96 HB1 ASN 96 -0.172 4.946 9.064 787 HD21 ASN 96 HD21 ASN 96 -0.079 7.320 8.975 788 HD22 ASN 96 HD22 ASN 96 0.118 8.236 10.391 789 H THR 97 HN THR 97 2.874 3.615 10.597 790 HA THR 97 HA THR 97 3.553 2.991 13.311 791 HB THR 97 HB THR 97 5.883 3.561 12.576 792 HG1 THR 97 HG1 THR 97 4.507 4.237 10.191 793 HG21 THR 97 HG21 THR 97 4.871 1.328 12.175 794 HG22 THR 97 HG22 THR 97 6.026 1.770 10.919 795 HG23 THR 97 HG23 THR 97 4.295 1.894 10.608 796 H VAL 98 HN VAL 98 2.696 5.940 11.794 797 HA VAL 98 HA VAL 98 3.848 7.518 14.064 798 HB VAL 98 HB VAL 98 4.843 8.233 11.991 799 HG11 VAL 98 HG11 VAL 98 3.628 8.770 10.008 800 HG12 VAL 98 HG12 VAL 98 2.081 8.714 10.847 801 HG13 VAL 98 HG13 VAL 98 2.982 7.229 10.560 802 HG21 VAL 98 HG21 VAL 98 4.526 10.495 12.310 803 HG22 VAL 98 HG22 VAL 98 3.579 9.960 13.694 804 HG23 VAL 98 HG23 VAL 98 2.770 10.384 12.187 805 H MET 99 HN MET 99 1.762 6.554 15.013 806 HA MET 99 HA MET 99 -0.360 6.938 15.868 807 HB2 MET 99 HB2 MET 99 -0.473 9.090 16.640 808 HB3 MET 99 HB1 MET 99 0.920 9.452 15.630 809 HG2 MET 99 HG2 MET 99 -0.675 9.954 13.735 810 HG3 MET 99 HG1 MET 99 -2.006 9.746 14.868 811 HE1 MET 99 HE1 MET 99 -1.447 13.507 13.807 812 HE2 MET 99 HE2 MET 99 -1.819 11.915 13.150 813 HE3 MET 99 HE3 MET 99 -0.163 12.511 13.108 814 HA PRO 100 HA PRO 100 -3.225 6.452 12.507 815 HB2 PRO 100 HB2 PRO 100 -5.592 7.140 13.707 816 HB3 PRO 100 HB1 PRO 100 -4.752 5.614 14.041 817 HG2 PRO 100 HG2 PRO 100 -4.781 8.148 15.625 818 HG3 PRO 100 HG1 PRO 100 -4.860 6.466 16.186 819 HD2 PRO 100 HD2 PRO 100 -2.552 7.929 16.267 820 HD3 PRO 100 HD1 PRO 100 -2.562 6.166 16.043 821 H LEU 101 HN LEU 101 -4.156 7.656 10.851 822 HA LEU 101 HA LEU 101 -4.010 10.630 11.131 823 HB2 LEU 101 HB2 LEU 101 -4.325 8.997 8.594 824 HB3 LEU 101 HB1 LEU 101 -3.821 10.682 8.737 825 HG LEU 101 HG LEU 101 -2.284 8.269 9.735 826 HD11 LEU 101 HD11 LEU 101 -2.398 8.827 7.206 827 HD12 LEU 101 HD12 LEU 101 -0.805 8.613 7.931 828 HD13 LEU 101 HD13 LEU 101 -1.419 10.236 7.616 829 HD21 LEU 101 HD21 LEU 101 -0.482 10.110 10.042 830 HD22 LEU 101 HD22 LEU 101 -1.762 10.008 11.249 831 HD23 LEU 101 HD23 LEU 101 -1.832 11.245 9.993 832 H LEU 102 HN LEU 102 -6.069 8.098 9.646 833 HA LEU 102 HA LEU 102 -8.328 9.973 9.491 834 HB2 LEU 102 HB2 LEU 102 -7.906 8.281 7.704 835 HB3 LEU 102 HB1 LEU 102 -8.217 7.003 8.873 836 HG LEU 102 HG LEU 102 -10.508 7.960 9.244 837 HD11 LEU 102 HD11 LEU 102 -11.217 9.486 7.205 838 HD12 LEU 102 HD12 LEU 102 -9.505 9.904 7.177 839 HD13 LEU 102 HD13 LEU 102 -10.465 10.207 8.625 840 HD21 LEU 102 HD21 LEU 102 -11.418 7.175 7.065 841 HD22 LEU 102 HD22 LEU 102 -10.182 6.089 7.699 842 HD23 LEU 102 HD23 LEU 102 -9.786 7.207 6.394 843 H ASP 103 HN ASP 103 -8.451 6.616 10.601 844 HA ASP 103 HA ASP 103 -9.793 5.693 12.285 845 HB2 ASP 103 HB2 ASP 103 -9.032 6.301 14.515 846 HB3 ASP 103 HB1 ASP 103 -7.661 6.199 13.416 847 H GLN 104 HN GLN 104 -11.686 6.807 11.159 848 HA GLN 104 HA GLN 104 -12.894 8.943 12.866 849 HB2 GLN 104 HB2 GLN 104 -13.426 7.975 10.051 850 HB3 GLN 104 HB1 GLN 104 -14.576 8.995 10.916 851 HG2 GLN 104 HG2 GLN 104 -11.657 9.730 10.590 852 HG3 GLN 104 HG1 GLN 104 -12.902 10.239 9.450 853 HE21 GLN 104 HE21 GLN 104 -14.384 11.900 10.120 854 HE22 GLN 104 HE22 GLN 104 -14.220 12.733 11.590 855 H ARG 105 HN ARG 105 -14.189 8.186 14.414 856 HA ARG 105 HA ARG 105 -15.148 5.512 14.593 857 HB2 ARG 105 HB2 ARG 105 -16.180 8.027 15.937 858 HB3 ARG 105 HB1 ARG 105 -16.531 6.378 16.453 859 HG2 ARG 105 HG2 ARG 105 -13.677 7.327 16.193 860 HG3 ARG 105 HG1 ARG 105 -14.607 7.676 17.646 861 HD2 ARG 105 HD2 ARG 105 -14.048 4.916 16.509 862 HD3 ARG 105 HD1 ARG 105 -13.324 5.613 17.953 863 HE ARG 105 HE ARG 105 -16.068 4.573 17.724 864 HH11 ARG 105 HH21 ARG 105 -13.744 6.456 19.454 865 HH12 ARG 105 HH22 ARG 105 -14.598 6.363 20.957 866 HH21 ARG 105 HH11 ARG 105 -17.194 4.457 19.675 867 HH22 ARG 105 HH12 ARG 105 -16.550 5.234 21.083 868 H TYR 106 HN TYR 106 -16.524 8.394 13.123 869 HA TYR 106 HA TYR 106 -19.238 7.607 12.969 870 HB2 TYR 106 HB2 TYR 106 -17.647 9.051 10.826 871 HB3 TYR 106 HB1 TYR 106 -19.391 9.127 11.074 872 HD1 TYR 106 HD1 TYR 106 -20.335 10.285 13.060 873 HD2 TYR 106 HD2 TYR 106 -16.120 10.281 12.231 874 HE1 TYR 106 HE1 TYR 106 -20.019 12.162 14.650 875 HE2 TYR 106 HE2 TYR 106 -15.804 12.157 13.821 876 HH TYR 106 HH TYR 106 -17.202 13.002 15.966 877 H LEU 107 HN LEU 107 -16.562 6.976 10.683 878 HA LEU 107 HA LEU 107 -18.111 5.365 8.884 879 HB2 LEU 107 HB2 LEU 107 -15.137 5.471 9.455 880 HB3 LEU 107 HB1 LEU 107 -15.843 4.546 8.131 881 HG LEU 107 HG LEU 107 -16.249 7.528 8.519 882 HD11 LEU 107 HD11 LEU 107 -14.423 6.168 6.522 883 HD12 LEU 107 HD12 LEU 107 -13.857 6.823 8.058 884 HD13 LEU 107 HD13 LEU 107 -14.563 7.895 6.850 885 HD21 LEU 107 HD21 LEU 107 -16.763 7.173 5.933 886 HD22 LEU 107 HD22 LEU 107 -18.007 6.864 7.137 887 HD23 LEU 107 HD23 LEU 107 -17.105 5.519 6.442 888 H LEU 108 HN LEU 108 -16.086 4.594 11.692 889 HA LEU 108 HA LEU 108 -16.233 1.752 11.480 890 HB2 LEU 108 HB2 LEU 108 -14.806 3.326 13.034 891 HB3 LEU 108 HB1 LEU 108 -16.169 3.185 14.141 892 HG LEU 108 HG LEU 108 -14.635 0.849 12.956 893 HD11 LEU 108 HD11 LEU 108 -14.577 2.058 15.740 894 HD12 LEU 108 HD12 LEU 108 -13.282 2.152 14.546 895 HD13 LEU 108 HD13 LEU 108 -13.727 0.595 15.244 896 HD21 LEU 108 HD21 LEU 108 -17.045 1.081 14.745 897 HD22 LEU 108 HD22 LEU 108 -15.919 -0.248 15.020 898 HD23 LEU 108 HD23 LEU 108 -16.710 -0.076 13.459 899 H THR 109 HN THR 109 -18.285 4.109 13.187 900 HA THR 109 HA THR 109 -20.200 1.956 13.907 901 HB THR 109 HB THR 109 -21.244 3.661 15.311 902 HG1 THR 109 HG1 THR 109 -20.695 5.361 13.720 903 HG21 THR 109 HG21 THR 109 -18.216 3.722 15.482 904 HG22 THR 109 HG22 THR 109 -19.262 2.491 16.192 905 HG23 THR 109 HG23 THR 109 -19.319 4.150 16.788 906 H GLY 110 HN GLY 110 -19.634 3.784 11.257 907 HA2 GLY 110 HA2 GLY 110 -21.015 3.956 9.341 908 HA3 GLY 110 HA1 GLY 110 -22.392 3.449 10.316 909 H GLY 111 HN GLY 111 -22.714 5.508 8.546 910 HA2 GLY 111 HA2 GLY 111 -22.265 8.110 9.716 911 HA3 GLY 111 HA1 GLY 111 -23.309 7.766 8.339 912 H GLN 112 HN GLN 112 -23.732 9.453 10.783 913 HA GLN 112 HA GLN 112 -25.370 9.833 12.424 914 HB2 GLN 112 HB2 GLN 112 -26.890 8.656 10.094 915 HB3 GLN 112 HB1 GLN 112 -27.701 9.317 11.516 916 HG2 GLN 112 HG2 GLN 112 -25.616 10.914 10.024 917 HG3 GLN 112 HG1 GLN 112 -27.303 10.915 9.511 918 HE21 GLN 112 HE21 GLN 112 -28.683 10.944 11.937 919 HE22 GLN 112 HE22 GLN 112 -28.292 12.344 12.814 920 H LEU 113 HN LEU 113 -24.861 8.510 14.141 921 HA LEU 113 HA LEU 113 -25.734 5.686 14.157 922 HB2 LEU 113 HB2 LEU 113 -24.828 5.945 16.618 923 HB3 LEU 113 HB1 LEU 113 -23.685 5.906 15.278 924 HG LEU 113 HG LEU 113 -24.769 8.600 16.052 925 HD11 LEU 113 HD11 LEU 113 -22.730 7.077 17.703 926 HD12 LEU 113 HD12 LEU 113 -24.286 7.701 18.252 927 HD13 LEU 113 HD13 LEU 113 -22.995 8.818 17.806 928 HD21 LEU 113 HD21 LEU 113 -21.903 7.802 15.503 929 HD22 LEU 113 HD22 LEU 113 -22.672 9.372 15.275 930 HD23 LEU 113 HD23 LEU 113 -23.051 8.041 14.184 931 H GLU 114 HN GLU 114 -27.101 8.690 14.752 932 HA GLU 114 HA GLU 114 -28.755 7.906 17.040 933 HB2 GLU 114 HB2 GLU 114 -28.762 10.333 15.232 934 HB3 GLU 114 HB1 GLU 114 -29.878 10.116 16.583 935 HG2 GLU 114 HG2 GLU 114 -27.990 9.929 18.142 936 HG3 GLU 114 HG1 GLU 114 -26.853 10.087 16.802 937 H HIS 115 HN HIS 115 -31.055 7.677 16.957 938 HA HIS 115 HA HIS 115 -31.983 6.199 14.642 939 HB2 HIS 115 HB2 HIS 115 -33.357 7.135 17.172 940 HB3 HIS 115 HB1 HIS 115 -34.140 6.130 15.950 941 HD1 HIS 115 HD1 HIS 115 -31.382 6.067 18.514 942 HD2 HIS 115 HD2 HIS 115 -33.264 3.439 15.883 943 HE1 HIS 115 HE1 HIS 115 -30.573 3.744 19.120 944 H HIS 116 HN HIS 116 -34.310 6.764 13.832 945 HA HIS 116 HA HIS 116 -34.209 9.195 12.356 946 HB2 HIS 116 HB2 HIS 116 -35.566 7.208 11.722 947 HB3 HIS 116 HB1 HIS 116 -36.634 7.523 13.087 948 HD1 HIS 116 HD1 HIS 116 -35.367 9.318 9.973 949 HD2 HIS 116 HD2 HIS 116 -38.695 9.264 12.482 950 HE1 HIS 116 HE1 HIS 116 -37.064 10.891 8.945 951 H HIS 117 HN HIS 117 -35.952 8.341 15.355 952 HA HIS 117 HA HIS 117 -37.068 11.046 15.569 953 HB2 HIS 117 HB2 HIS 117 -37.815 10.138 17.857 954 HB3 HIS 117 HB1 HIS 117 -38.484 9.355 16.427 955 HD1 HIS 117 HD1 HIS 117 -36.014 8.821 19.214 956 HD2 HIS 117 HD2 HIS 117 -37.625 6.685 16.017 957 HE1 HIS 117 HE1 HIS 117 -35.339 6.404 19.555 958 H HIS 118 HN HIS 118 -36.167 12.716 16.682 959 HA HIS 118 HA HIS 118 -33.505 12.305 17.881 960 HB2 HIS 118 HB2 HIS 118 -33.467 14.769 18.021 961 HB3 HIS 118 HB1 HIS 118 -33.885 14.228 16.396 962 HD1 HIS 118 HD1 HIS 118 -36.557 14.199 15.864 963 HD2 HIS 118 HD2 HIS 118 -35.362 16.449 19.164 964 HE1 HIS 118 HE1 HIS 118 -38.473 15.769 16.394 965 H HIS 119 HN HIS 119 -33.341 11.798 20.008 966 HA HIS 119 HA HIS 119 -34.943 13.272 21.982 967 HB2 HIS 119 HB2 HIS 119 -36.439 11.396 21.452 968 HB3 HIS 119 HB1 HIS 119 -35.131 10.251 21.759 969 HD1 HIS 119 HD1 HIS 119 -37.008 13.010 23.610 970 HD2 HIS 119 HD2 HIS 119 -34.968 9.462 24.408 971 HE1 HIS 119 HE1 HIS 119 -37.266 12.578 26.092 972 H HIS 120 HN HIS 120 -33.891 13.369 23.969 973 HA HIS 120 HA HIS 120 -31.856 11.511 24.789 974 HB2 HIS 120 HB2 HIS 120 -29.869 12.848 24.493 975 HB3 HIS 120 HB1 HIS 120 -30.660 12.741 22.922 976 HD1 HIS 120 HD1 HIS 120 -32.020 14.888 22.135 977 HD2 HIS 120 HD2 HIS 120 -29.682 15.444 25.543 978 HE1 HIS 120 HE1 HIS 120 -31.821 17.391 22.468 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -14.867 -9.275 21.289 2 H2 MET 1 HT2 MET 1 -13.217 -9.262 21.696 3 H3 MET 1 HT3 MET 1 -13.722 -9.906 20.206 4 HA MET 1 HA MET 1 -14.645 -7.600 19.720 5 HB2 MET 1 HB2 MET 1 -12.768 -7.080 22.046 6 HB3 MET 1 HB1 MET 1 -13.308 -5.824 20.929 7 HG2 MET 1 HG2 MET 1 -15.662 -6.338 21.497 8 HG3 MET 1 HG1 MET 1 -15.112 -7.567 22.635 9 HE1 MET 1 HE1 MET 1 -16.989 -5.955 23.604 10 HE2 MET 1 HE2 MET 1 -16.538 -4.782 24.839 11 HE3 MET 1 HE3 MET 1 -16.081 -6.472 25.032 12 H THR 2 HN THR 2 -13.196 -9.508 18.468 13 HA THR 2 HA THR 2 -10.431 -8.651 18.043 14 HB THR 2 HB THR 2 -10.570 -10.424 16.191 15 HG1 THR 2 HG1 THR 2 -12.569 -11.784 16.994 16 HG21 THR 2 HG21 THR 2 -11.145 -11.046 19.093 17 HG22 THR 2 HG22 THR 2 -9.580 -11.031 18.278 18 HG23 THR 2 HG23 THR 2 -10.753 -12.296 17.911 19 H LEU 3 HN LEU 3 -9.661 -8.151 15.787 20 HA LEU 3 HA LEU 3 -11.067 -5.918 14.666 21 HB2 LEU 3 HB2 LEU 3 -8.750 -7.630 13.777 22 HB3 LEU 3 HB1 LEU 3 -9.409 -6.407 12.691 23 HG LEU 3 HG LEU 3 -8.966 -4.652 14.300 24 HD11 LEU 3 HD11 LEU 3 -7.733 -5.305 16.439 25 HD12 LEU 3 HD12 LEU 3 -8.236 -6.963 16.108 26 HD13 LEU 3 HD13 LEU 3 -9.446 -5.709 16.382 27 HD21 LEU 3 HD21 LEU 3 -6.640 -6.579 13.993 28 HD22 LEU 3 HD22 LEU 3 -6.475 -4.905 14.523 29 HD23 LEU 3 HD23 LEU 3 -7.069 -5.262 12.901 30 H GLU 4 HN GLU 4 -10.814 -9.325 13.661 31 HA GLU 4 HA GLU 4 -12.281 -9.049 11.217 32 HB2 GLU 4 HB2 GLU 4 -11.888 -11.415 13.070 33 HB3 GLU 4 HB1 GLU 4 -12.642 -11.531 11.480 34 HG2 GLU 4 HG2 GLU 4 -10.610 -10.702 10.412 35 HG3 GLU 4 HG1 GLU 4 -9.857 -10.444 11.987 36 H LEU 5 HN LEU 5 -13.322 -9.946 14.510 37 HA LEU 5 HA LEU 5 -16.073 -10.345 13.846 38 HB2 LEU 5 HB2 LEU 5 -15.148 -11.125 15.973 39 HB3 LEU 5 HB1 LEU 5 -14.794 -9.466 16.453 40 HG LEU 5 HG LEU 5 -17.188 -8.922 16.460 41 HD11 LEU 5 HD11 LEU 5 -18.753 -11.016 16.250 42 HD12 LEU 5 HD12 LEU 5 -17.413 -11.709 15.337 43 HD13 LEU 5 HD13 LEU 5 -18.185 -10.222 14.785 44 HD21 LEU 5 HD21 LEU 5 -17.845 -10.236 18.385 45 HD22 LEU 5 HD22 LEU 5 -16.107 -9.949 18.483 46 HD23 LEU 5 HD23 LEU 5 -16.714 -11.518 17.952 47 H GLN 6 HN GLN 6 -14.313 -7.481 14.997 48 HA GLN 6 HA GLN 6 -16.623 -5.759 15.080 49 HB2 GLN 6 HB2 GLN 6 -13.657 -5.185 14.863 50 HB3 GLN 6 HB1 GLN 6 -14.880 -3.938 15.091 51 HG2 GLN 6 HG2 GLN 6 -14.523 -6.300 16.952 52 HG3 GLN 6 HG1 GLN 6 -13.799 -4.716 17.228 53 HE21 GLN 6 HE21 GLN 6 -16.358 -6.486 18.247 54 HE22 GLN 6 HE22 GLN 6 -17.499 -5.255 18.502 55 H LEU 7 HN LEU 7 -14.131 -6.417 12.646 56 HA LEU 7 HA LEU 7 -14.957 -4.429 10.775 57 HB2 LEU 7 HB2 LEU 7 -12.798 -5.555 10.575 58 HB3 LEU 7 HB1 LEU 7 -13.602 -7.106 10.332 59 HG LEU 7 HG LEU 7 -14.570 -6.326 8.231 60 HD11 LEU 7 HD11 LEU 7 -13.403 -3.693 9.115 61 HD12 LEU 7 HD12 LEU 7 -15.017 -4.040 8.491 62 HD13 LEU 7 HD13 LEU 7 -13.639 -4.022 7.398 63 HD21 LEU 7 HD21 LEU 7 -12.369 -7.299 8.040 64 HD22 LEU 7 HD22 LEU 7 -11.606 -5.779 8.508 65 HD23 LEU 7 HD23 LEU 7 -12.437 -5.907 6.958 66 H LYS 8 HN LYS 8 -15.848 -7.855 11.107 67 HA LYS 8 HA LYS 8 -17.589 -7.954 8.838 68 HB2 LYS 8 HB2 LYS 8 -17.458 -9.572 11.388 69 HB3 LYS 8 HB1 LYS 8 -18.594 -9.936 10.090 70 HG2 LYS 8 HG2 LYS 8 -16.725 -10.204 8.514 71 HG3 LYS 8 HG1 LYS 8 -15.578 -9.804 9.787 72 HD2 LYS 8 HD2 LYS 8 -16.258 -11.773 11.068 73 HD3 LYS 8 HD1 LYS 8 -17.498 -12.151 9.872 74 HE2 LYS 8 HE2 LYS 8 -15.536 -13.541 9.454 75 HE3 LYS 8 HE1 LYS 8 -15.707 -12.372 8.145 76 HZ1 LYS 8 HZ1 LYS 8 -13.579 -11.918 8.600 77 HZ2 LYS 8 HZ2 LYS 8 -13.643 -12.610 10.151 78 HZ3 LYS 8 HZ3 LYS 8 -14.196 -11.022 9.901 79 H HIS 9 HN HIS 9 -18.135 -7.139 12.237 80 HA HIS 9 HA HIS 9 -20.973 -6.982 12.150 81 HB2 HIS 9 HB2 HIS 9 -19.602 -6.918 14.229 82 HB3 HIS 9 HB1 HIS 9 -19.071 -5.292 13.795 83 HD1 HIS 9 HD1 HIS 9 -20.853 -3.383 13.874 84 HD2 HIS 9 HD2 HIS 9 -22.263 -7.079 15.192 85 HE1 HIS 9 HE1 HIS 9 -23.071 -2.939 15.015 86 H TYR 10 HN TYR 10 -18.509 -4.453 11.587 87 HA TYR 10 HA TYR 10 -20.360 -2.334 11.056 88 HB2 TYR 10 HB2 TYR 10 -17.995 -1.891 11.512 89 HB3 TYR 10 HB1 TYR 10 -17.533 -2.760 10.048 90 HD1 TYR 10 HD1 TYR 10 -19.529 0.153 11.259 91 HD2 TYR 10 HD2 TYR 10 -17.462 -1.654 7.954 92 HE1 TYR 10 HE1 TYR 10 -19.832 2.227 9.934 93 HE2 TYR 10 HE2 TYR 10 -17.766 0.420 6.630 94 HH TYR 10 HH TYR 10 -18.193 2.753 6.941 95 H ILE 11 HN ILE 11 -18.623 -4.517 8.829 96 HA ILE 11 HA ILE 11 -19.793 -3.464 6.435 97 HB ILE 11 HB ILE 11 -18.612 -6.181 7.067 98 HG12 ILE 11 HG12 ILE 11 -17.469 -3.837 5.520 99 HG13 ILE 11 HG11 ILE 11 -17.140 -4.136 7.228 100 HG21 ILE 11 HG21 ILE 11 -19.509 -4.958 4.446 101 HG22 ILE 11 HG22 ILE 11 -20.013 -6.496 5.145 102 HG23 ILE 11 HG23 ILE 11 -18.376 -6.304 4.531 103 HD11 ILE 11 HD11 ILE 11 -16.521 -6.014 4.935 104 HD12 ILE 11 HD12 ILE 11 -16.266 -6.390 6.635 105 HD13 ILE 11 HD13 ILE 11 -15.344 -5.094 5.871 106 H THR 12 HN THR 12 -20.701 -6.208 8.511 107 HA THR 12 HA THR 12 -22.881 -7.126 6.917 108 HB THR 12 HB THR 12 -23.687 -8.105 9.120 109 HG1 THR 12 HG1 THR 12 -22.900 -7.208 10.822 110 HG21 THR 12 HG21 THR 12 -20.933 -8.509 7.976 111 HG22 THR 12 HG22 THR 12 -22.321 -9.597 7.954 112 HG23 THR 12 HG23 THR 12 -21.393 -9.377 9.439 113 H ASN 13 HN ASN 13 -22.829 -4.916 9.714 114 HA ASN 13 HA ASN 13 -25.652 -4.347 9.624 115 HB2 ASN 13 HB2 ASN 13 -24.295 -3.954 11.637 116 HB3 ASN 13 HB1 ASN 13 -23.361 -2.732 10.775 117 HD21 ASN 13 HD21 ASN 13 -24.600 -1.790 13.014 118 HD22 ASN 13 HD22 ASN 13 -25.975 -0.873 12.624 119 H LEU 14 HN LEU 14 -22.794 -2.820 8.203 120 HA LEU 14 HA LEU 14 -24.075 -0.470 7.236 121 HB2 LEU 14 HB2 LEU 14 -21.631 -0.705 7.276 122 HB3 LEU 14 HB1 LEU 14 -21.722 -2.004 6.088 123 HG LEU 14 HG LEU 14 -22.627 -0.465 4.413 124 HD11 LEU 14 HD11 LEU 14 -22.520 2.065 5.124 125 HD12 LEU 14 HD12 LEU 14 -22.694 1.424 6.758 126 HD13 LEU 14 HD13 LEU 14 -23.938 1.108 5.544 127 HD21 LEU 14 HD21 LEU 14 -20.645 0.795 4.002 128 HD22 LEU 14 HD22 LEU 14 -20.118 -0.642 4.876 129 HD23 LEU 14 HD23 LEU 14 -20.266 0.898 5.722 130 H PHE 15 HN PHE 15 -23.566 -3.638 5.689 131 HA PHE 15 HA PHE 15 -25.370 -2.800 3.454 132 HB2 PHE 15 HB2 PHE 15 -23.338 -5.027 3.751 133 HB3 PHE 15 HB1 PHE 15 -24.453 -4.915 2.386 134 HD1 PHE 15 HD1 PHE 15 -24.448 -2.814 0.967 135 HD2 PHE 15 HD2 PHE 15 -21.373 -3.679 3.837 136 HE1 PHE 15 HE1 PHE 15 -22.957 -1.171 -0.138 137 HE2 PHE 15 HE2 PHE 15 -19.879 -2.035 2.730 138 HZ PHE 15 HZ PHE 15 -20.672 -0.781 0.742 139 H ASN 16 HN ASN 16 -25.605 -4.192 6.397 140 HA ASN 16 HA ASN 16 -27.173 -5.596 7.422 141 HB2 ASN 16 HB2 ASN 16 -28.744 -5.233 4.852 142 HB3 ASN 16 HB1 ASN 16 -29.378 -5.683 6.435 143 HD21 ASN 16 HD21 ASN 16 -29.316 -3.081 4.463 144 HD22 ASN 16 HD22 ASN 16 -29.218 -1.828 5.606 145 H LEU 17 HN LEU 17 -25.025 -6.802 5.905 146 HA LEU 17 HA LEU 17 -26.262 -9.090 4.538 147 HB2 LEU 17 HB2 LEU 17 -23.358 -8.435 5.043 148 HB3 LEU 17 HB1 LEU 17 -23.938 -9.753 4.029 149 HG LEU 17 HG LEU 17 -24.751 -6.876 3.575 150 HD11 LEU 17 HD11 LEU 17 -22.492 -8.359 2.206 151 HD12 LEU 17 HD12 LEU 17 -22.271 -7.120 3.443 152 HD13 LEU 17 HD13 LEU 17 -23.007 -6.701 1.896 153 HD21 LEU 17 HD21 LEU 17 -24.937 -9.440 1.980 154 HD22 LEU 17 HD22 LEU 17 -25.019 -7.870 1.190 155 HD23 LEU 17 HD23 LEU 17 -26.222 -8.307 2.394 156 HA PRO 18 HA PRO 18 -26.376 -11.864 7.992 157 HB2 PRO 18 HB2 PRO 18 -24.849 -13.838 6.333 158 HB3 PRO 18 HB1 PRO 18 -26.390 -14.039 7.190 159 HG2 PRO 18 HG2 PRO 18 -26.270 -13.744 4.526 160 HG3 PRO 18 HG1 PRO 18 -27.613 -13.104 5.489 161 HD2 PRO 18 HD2 PRO 18 -25.376 -11.629 4.175 162 HD3 PRO 18 HD1 PRO 18 -27.026 -11.095 4.566 163 H ARG 19 HN ARG 19 -25.113 -11.893 9.758 164 HA ARG 19 HA ARG 19 -22.177 -11.554 9.499 165 HB2 ARG 19 HB2 ARG 19 -22.289 -11.051 11.918 166 HB3 ARG 19 HB1 ARG 19 -23.415 -10.044 11.006 167 HG2 ARG 19 HG2 ARG 19 -25.250 -11.626 11.545 168 HG3 ARG 19 HG1 ARG 19 -24.126 -12.588 12.506 169 HD2 ARG 19 HD2 ARG 19 -23.692 -10.618 13.943 170 HD3 ARG 19 HD1 ARG 19 -24.868 -9.694 13.010 171 HE ARG 19 HE ARG 19 -25.481 -11.682 15.044 172 HH11 ARG 19 HH21 ARG 19 -26.513 -10.190 12.102 173 HH12 ARG 19 HH22 ARG 19 -28.197 -10.453 12.411 174 HH21 ARG 19 HH11 ARG 19 -27.669 -12.028 15.451 175 HH22 ARG 19 HH12 ARG 19 -28.851 -11.488 14.305 176 H ASP 20 HN ASP 20 -24.517 -13.969 10.096 177 HA ASP 20 HA ASP 20 -22.761 -15.684 11.704 178 HB2 ASP 20 HB2 ASP 20 -24.598 -17.358 11.393 179 HB3 ASP 20 HB1 ASP 20 -25.166 -15.829 12.062 180 H GLU 21 HN GLU 21 -22.718 -14.787 8.542 181 HA GLU 21 HA GLU 21 -22.096 -17.458 7.423 182 HB2 GLU 21 HB2 GLU 21 -23.392 -15.824 6.074 183 HB3 GLU 21 HB1 GLU 21 -22.019 -14.718 6.118 184 HG2 GLU 21 HG2 GLU 21 -20.618 -16.369 4.966 185 HG3 GLU 21 HG1 GLU 21 -21.948 -17.527 4.974 186 H LYS 22 HN LYS 22 -20.074 -18.230 7.687 187 HA LYS 22 HA LYS 22 -17.855 -16.461 8.401 188 HB2 LYS 22 HB2 LYS 22 -17.914 -19.435 7.819 189 HB3 LYS 22 HB1 LYS 22 -16.566 -18.560 8.544 190 HG2 LYS 22 HG2 LYS 22 -19.353 -18.698 9.734 191 HG3 LYS 22 HG1 LYS 22 -18.012 -19.729 10.229 192 HD2 LYS 22 HD2 LYS 22 -16.729 -17.497 10.627 193 HD3 LYS 22 HD1 LYS 22 -18.325 -16.747 10.586 194 HE2 LYS 22 HE2 LYS 22 -17.546 -19.027 12.419 195 HE3 LYS 22 HE1 LYS 22 -17.634 -17.329 12.893 196 HZ1 LYS 22 HZ1 LYS 22 -19.750 -19.227 12.500 197 HZ2 LYS 22 HZ2 LYS 22 -20.014 -17.764 11.677 198 HZ3 LYS 22 HZ3 LYS 22 -19.754 -17.761 13.356 199 H TRP 23 HN TRP 23 -16.141 -15.886 7.108 200 HA TRP 23 HA TRP 23 -16.432 -16.464 4.191 201 HB2 TRP 23 HB2 TRP 23 -14.699 -14.370 5.524 202 HB3 TRP 23 HB1 TRP 23 -15.126 -14.479 3.817 203 HD1 TRP 23 HD1 TRP 23 -18.288 -15.273 4.797 204 HE1 TRP 23 HE1 TRP 23 -19.803 -13.270 5.341 205 HE3 TRP 23 HE3 TRP 23 -14.754 -11.654 5.521 206 HZ2 TRP 23 HZ2 TRP 23 -19.561 -10.502 5.993 207 HZ3 TRP 23 HZ3 TRP 23 -15.427 -9.344 6.101 208 HH2 TRP 23 HH2 TRP 23 -17.826 -8.762 6.338 209 H GLU 24 HN GLU 24 -14.065 -16.231 3.148 210 HA GLU 24 HA GLU 24 -12.403 -18.320 4.504 211 HB2 GLU 24 HB2 GLU 24 -12.677 -17.502 1.599 212 HB3 GLU 24 HB1 GLU 24 -11.492 -18.673 2.182 213 HG2 GLU 24 HG2 GLU 24 -14.493 -18.919 2.567 214 HG3 GLU 24 HG1 GLU 24 -13.574 -19.756 1.315 215 H CYS 25 HN CYS 25 -10.601 -17.602 5.416 216 HA CYS 25 HA CYS 25 -9.535 -14.939 4.762 217 HB2 CYS 25 HB2 CYS 25 -8.298 -16.885 6.705 218 HB3 CYS 25 HB1 CYS 25 -8.328 -15.121 6.769 219 HG CYS 25 HG CYS 25 -10.333 -15.398 8.196 220 H GLU 26 HN GLU 26 -7.658 -14.568 3.644 221 HA GLU 26 HA GLU 26 -5.961 -16.918 2.888 222 HB2 GLU 26 HB2 GLU 26 -7.441 -16.326 0.992 223 HB3 GLU 26 HB1 GLU 26 -6.837 -14.670 1.045 224 HG2 GLU 26 HG2 GLU 26 -4.564 -15.456 0.574 225 HG3 GLU 26 HG1 GLU 26 -5.120 -17.130 0.596 226 H SER 27 HN SER 27 -3.935 -16.551 3.574 227 HA SER 27 HA SER 27 -3.082 -13.755 4.148 228 HB2 SER 27 HB2 SER 27 -2.791 -15.325 5.977 229 HB3 SER 27 HB1 SER 27 -1.928 -16.447 4.929 230 HG SER 27 HG SER 27 -0.456 -14.558 4.601 231 H ILE 28 HN ILE 28 -1.866 -12.757 2.665 232 HA ILE 28 HA ILE 28 0.165 -14.302 1.149 233 HB ILE 28 HB ILE 28 -1.667 -14.345 -0.390 234 HG12 ILE 28 HG12 ILE 28 0.738 -13.214 -1.050 235 HG13 ILE 28 HG11 ILE 28 -0.531 -13.527 -2.222 236 HG21 ILE 28 HG21 ILE 28 -2.050 -11.448 0.382 237 HG22 ILE 28 HG22 ILE 28 -3.182 -12.782 0.572 238 HG23 ILE 28 HG23 ILE 28 -2.818 -12.165 -1.037 239 HD11 ILE 28 HD11 ILE 28 0.494 -11.185 -2.257 240 HD12 ILE 28 HD12 ILE 28 -0.338 -10.899 -0.736 241 HD13 ILE 28 HD13 ILE 28 -1.263 -11.258 -2.186 242 H GLU 29 HN GLU 29 1.958 -13.053 0.629 243 HA GLU 29 HA GLU 29 2.140 -10.458 2.021 244 HB2 GLU 29 HB2 GLU 29 4.190 -12.119 0.520 245 HB3 GLU 29 HB1 GLU 29 4.550 -10.633 1.399 246 HG2 GLU 29 HG2 GLU 29 5.037 -12.281 2.998 247 HG3 GLU 29 HG1 GLU 29 3.391 -11.827 3.427 248 H GLU 30 HN GLU 30 1.913 -8.536 0.977 249 HA GLU 30 HA GLU 30 2.489 -8.392 -1.942 250 HB2 GLU 30 HB2 GLU 30 0.070 -8.874 -1.734 251 HB3 GLU 30 HB1 GLU 30 -0.117 -7.465 -0.692 252 HG2 GLU 30 HG2 GLU 30 0.589 -5.990 -2.494 253 HG3 GLU 30 HG1 GLU 30 0.937 -7.371 -3.533 254 H VAL 31 HN VAL 31 2.796 -6.212 -2.690 255 HA VAL 31 HA VAL 31 4.177 -4.527 -0.828 256 HB VAL 31 HB VAL 31 3.151 -3.997 -3.625 257 HG11 VAL 31 HG11 VAL 31 4.912 -2.166 -3.558 258 HG12 VAL 31 HG12 VAL 31 4.972 -2.397 -1.810 259 HG13 VAL 31 HG13 VAL 31 3.478 -1.860 -2.580 260 HG21 VAL 31 HG21 VAL 31 5.884 -4.739 -2.534 261 HG22 VAL 31 HG22 VAL 31 5.529 -4.380 -4.223 262 HG23 VAL 31 HG23 VAL 31 4.819 -5.800 -3.455 263 H ALA 32 HN ALA 32 3.468 -2.794 0.343 264 HA ALA 32 HA ALA 32 0.733 -2.444 0.979 265 HB1 ALA 32 HB1 ALA 32 2.373 -1.612 2.499 266 HB2 ALA 32 HB2 ALA 32 1.539 -0.186 1.876 267 HB3 ALA 32 HB3 ALA 32 3.128 -0.621 1.249 268 H ASP 33 HN ASP 33 2.799 -0.622 -1.284 269 HA ASP 33 HA ASP 33 0.870 1.342 -2.042 270 HB2 ASP 33 HB2 ASP 33 3.301 1.490 -2.517 271 HB3 ASP 33 HB1 ASP 33 3.137 0.176 -3.679 272 H ASP 34 HN ASP 34 1.455 -1.945 -3.207 273 HA ASP 34 HA ASP 34 -0.201 -1.765 -5.552 274 HB2 ASP 34 HB2 ASP 34 0.731 -4.081 -3.853 275 HB3 ASP 34 HB1 ASP 34 -0.300 -4.316 -5.265 276 H ILE 35 HN ILE 35 -0.990 -1.909 -2.204 277 HA ILE 35 HA ILE 35 -3.836 -2.623 -2.870 278 HB ILE 35 HB ILE 35 -2.840 -4.306 -1.420 279 HG12 ILE 35 HG12 ILE 35 -4.504 -2.532 0.379 280 HG13 ILE 35 HG11 ILE 35 -5.213 -3.343 -1.017 281 HG21 ILE 35 HG21 ILE 35 -2.014 -3.611 0.854 282 HG22 ILE 35 HG22 ILE 35 -2.096 -1.935 0.319 283 HG23 ILE 35 HG23 ILE 35 -0.997 -3.058 -0.474 284 HD11 ILE 35 HD11 ILE 35 -3.574 -4.942 0.931 285 HD12 ILE 35 HD12 ILE 35 -4.883 -5.470 -0.121 286 HD13 ILE 35 HD13 ILE 35 -5.242 -4.534 1.329 287 H LEU 36 HN LEU 36 -1.676 -0.375 -1.308 288 HA LEU 36 HA LEU 36 -4.006 1.251 -0.386 289 HB2 LEU 36 HB2 LEU 36 -1.137 1.086 0.482 290 HB3 LEU 36 HB1 LEU 36 -2.120 2.487 0.877 291 HG LEU 36 HG LEU 36 -3.264 -0.236 1.436 292 HD11 LEU 36 HD11 LEU 36 -1.024 1.082 2.962 293 HD12 LEU 36 HD12 LEU 36 -1.188 -0.604 2.472 294 HD13 LEU 36 HD13 LEU 36 -2.186 0.038 3.776 295 HD21 LEU 36 HD21 LEU 36 -4.490 0.926 3.110 296 HD22 LEU 36 HD22 LEU 36 -4.445 2.042 1.747 297 HD23 LEU 36 HD23 LEU 36 -3.359 2.279 3.114 298 HA PRO 37 HA PRO 37 -2.918 3.546 -4.214 299 HB2 PRO 37 HB2 PRO 37 -5.022 5.287 -2.946 300 HB3 PRO 37 HB1 PRO 37 -4.835 4.809 -4.647 301 HG2 PRO 37 HG2 PRO 37 -6.655 3.638 -3.132 302 HG3 PRO 37 HG1 PRO 37 -5.689 2.684 -4.276 303 HD2 PRO 37 HD2 PRO 37 -5.446 2.849 -1.293 304 HD3 PRO 37 HD1 PRO 37 -5.166 1.465 -2.378 305 H ASP 38 HN ASP 38 -2.013 5.706 -4.577 306 HA ASP 38 HA ASP 38 -0.125 6.546 -2.665 307 HB2 ASP 38 HB2 ASP 38 0.025 8.628 -4.026 308 HB3 ASP 38 HB1 ASP 38 0.051 7.170 -5.016 309 H GLN 39 HN GLN 39 -3.444 6.852 -2.524 310 HA GLN 39 HA GLN 39 -3.873 9.416 -1.388 311 HB2 GLN 39 HB2 GLN 39 -5.256 6.760 -0.931 312 HB3 GLN 39 HB1 GLN 39 -5.872 8.298 -0.325 313 HG2 GLN 39 HG2 GLN 39 -5.979 9.179 -2.614 314 HG3 GLN 39 HG1 GLN 39 -5.308 7.672 -3.238 315 HE21 GLN 39 HE21 GLN 39 -7.589 7.968 -4.436 316 HE22 GLN 39 HE22 GLN 39 -8.891 7.168 -3.695 317 H TYR 40 HN TYR 40 -2.842 6.354 0.093 318 HA TYR 40 HA TYR 40 -1.996 7.892 2.509 319 HB2 TYR 40 HB2 TYR 40 -3.568 5.296 2.524 320 HB3 TYR 40 HB1 TYR 40 -2.853 6.057 3.947 321 HD1 TYR 40 HD2 TYR 40 -3.624 8.349 4.656 322 HD2 TYR 40 HD1 TYR 40 -5.618 6.104 1.583 323 HE1 TYR 40 HE2 TYR 40 -5.611 9.818 4.872 324 HE2 TYR 40 HE1 TYR 40 -7.602 7.575 1.797 325 HH TYR 40 HH TYR 40 -7.950 9.830 4.395 326 H VAL 41 HN VAL 41 -0.036 7.538 1.028 327 HA VAL 41 HA VAL 41 1.517 5.297 2.113 328 HB VAL 41 HB VAL 41 0.927 5.544 -0.852 329 HG11 VAL 41 HG11 VAL 41 3.085 4.032 0.615 330 HG12 VAL 41 HG12 VAL 41 3.278 5.168 -0.721 331 HG13 VAL 41 HG13 VAL 41 2.558 3.583 -1.005 332 HG21 VAL 41 HG21 VAL 41 0.436 3.041 -0.470 333 HG22 VAL 41 HG22 VAL 41 -0.727 4.193 0.183 334 HG23 VAL 41 HG23 VAL 41 0.447 3.420 1.250 335 H ARG 42 HN ARG 42 1.240 8.312 0.424 336 HA ARG 42 HA ARG 42 3.959 8.788 -0.257 337 HB2 ARG 42 HB2 ARG 42 1.896 10.798 0.704 338 HB3 ARG 42 HB1 ARG 42 3.344 11.164 -0.230 339 HG2 ARG 42 HG2 ARG 42 1.270 9.229 -1.276 340 HG3 ARG 42 HG1 ARG 42 1.085 10.964 -1.505 341 HD2 ARG 42 HD2 ARG 42 3.345 11.021 -2.576 342 HD3 ARG 42 HD1 ARG 42 3.421 9.268 -2.437 343 HE ARG 42 HE ARG 42 1.891 9.092 -4.226 344 HH11 ARG 42 HH21 ARG 42 2.066 12.303 -2.970 345 HH12 ARG 42 HH22 ARG 42 1.149 12.995 -4.266 346 HH21 ARG 42 HH11 ARG 42 0.708 9.979 -5.915 347 HH22 ARG 42 HH12 ARG 42 0.381 11.680 -5.935 348 H LEU 43 HN LEU 43 2.686 8.105 2.721 349 HA LEU 43 HA LEU 43 3.983 9.962 4.458 350 HB2 LEU 43 HB2 LEU 43 3.004 7.124 4.745 351 HB3 LEU 43 HB1 LEU 43 3.854 7.902 6.073 352 HG LEU 43 HG LEU 43 1.359 8.131 6.198 353 HD11 LEU 43 HD11 LEU 43 3.215 9.948 6.946 354 HD12 LEU 43 HD12 LEU 43 1.492 10.221 7.152 355 HD13 LEU 43 HD13 LEU 43 2.333 10.930 5.776 356 HD21 LEU 43 HD21 LEU 43 0.174 9.452 4.595 357 HD22 LEU 43 HD22 LEU 43 1.157 8.327 3.661 358 HD23 LEU 43 HD23 LEU 43 1.669 10.005 3.842 359 H GLY 44 HN GLY 44 5.077 6.878 3.063 360 HA2 GLY 44 HA2 GLY 44 7.516 6.891 2.393 361 HA3 GLY 44 HA1 GLY 44 7.865 7.522 3.989 362 HA PRO 45 HA PRO 45 8.161 3.543 5.895 363 HB2 PRO 45 HB2 PRO 45 5.602 3.923 7.408 364 HB3 PRO 45 HB1 PRO 45 7.223 3.530 8.015 365 HG2 PRO 45 HG2 PRO 45 6.175 5.973 8.291 366 HG3 PRO 45 HG1 PRO 45 7.907 5.730 7.999 367 HD2 PRO 45 HD2 PRO 45 5.803 6.698 6.111 368 HD3 PRO 45 HD1 PRO 45 7.525 7.107 6.184 369 H LEU 46 HN LEU 46 4.849 4.296 4.851 370 HA LEU 46 HA LEU 46 4.207 1.454 4.418 371 HB2 LEU 46 HB2 LEU 46 2.695 3.975 3.641 372 HB3 LEU 46 HB1 LEU 46 2.048 2.336 3.607 373 HG LEU 46 HG LEU 46 3.034 3.782 6.089 374 HD11 LEU 46 HD11 LEU 46 0.971 4.791 5.429 375 HD12 LEU 46 HD12 LEU 46 0.552 3.629 6.687 376 HD13 LEU 46 HD13 LEU 46 0.266 3.234 4.992 377 HD21 LEU 46 HD21 LEU 46 1.696 1.761 7.127 378 HD22 LEU 46 HD22 LEU 46 3.346 1.509 6.573 379 HD23 LEU 46 HD23 LEU 46 1.992 1.001 5.563 380 H SER 47 HN SER 47 5.939 3.817 2.830 381 HA SER 47 HA SER 47 5.166 3.228 0.088 382 HB2 SER 47 HB2 SER 47 6.704 4.867 -0.509 383 HB3 SER 47 HB1 SER 47 6.287 5.362 1.129 384 HG SER 47 HG SER 47 8.608 4.160 0.134 385 H ASN 48 HN ASN 48 5.889 1.647 -1.182 386 HA ASN 48 HA ASN 48 7.024 -0.284 -1.853 387 HB2 ASN 48 HB2 ASN 48 8.697 1.551 -2.310 388 HB3 ASN 48 HB1 ASN 48 9.446 1.169 -0.758 389 HD21 ASN 48 HD21 ASN 48 8.460 -0.455 -3.829 390 HD22 ASN 48 HD22 ASN 48 9.734 -1.576 -3.816 391 H LYS 49 HN LYS 49 5.967 -0.291 0.888 392 HA LYS 49 HA LYS 49 7.972 -2.057 2.246 393 HB2 LYS 49 HB2 LYS 49 7.221 -0.089 3.537 394 HB3 LYS 49 HB1 LYS 49 5.557 -0.657 3.414 395 HG2 LYS 49 HG2 LYS 49 6.101 -2.696 4.615 396 HG3 LYS 49 HG1 LYS 49 7.813 -2.286 4.619 397 HD2 LYS 49 HD2 LYS 49 5.853 -0.346 5.833 398 HD3 LYS 49 HD1 LYS 49 6.305 -1.782 6.747 399 HE2 LYS 49 HE2 LYS 49 8.667 -1.188 6.603 400 HE3 LYS 49 HE1 LYS 49 8.290 0.194 5.579 401 HZ1 LYS 49 HZ1 LYS 49 6.682 0.558 7.723 402 HZ2 LYS 49 HZ2 LYS 49 8.179 1.323 7.477 403 HZ3 LYS 49 HZ3 LYS 49 8.085 -0.082 8.428 404 H ILE 50 HN ILE 50 7.581 -4.159 2.208 405 HA ILE 50 HA ILE 50 5.036 -5.203 1.203 406 HB ILE 50 HB ILE 50 7.586 -6.540 2.136 407 HG12 ILE 50 HG12 ILE 50 7.768 -7.040 -0.333 408 HG13 ILE 50 HG11 ILE 50 6.380 -5.988 -0.594 409 HG21 ILE 50 HG21 ILE 50 6.542 -8.544 0.927 410 HG22 ILE 50 HG22 ILE 50 5.012 -7.672 1.025 411 HG23 ILE 50 HG23 ILE 50 5.858 -8.137 2.502 412 HD11 ILE 50 HD11 ILE 50 8.710 -4.893 0.955 413 HD12 ILE 50 HD12 ILE 50 7.574 -4.060 -0.104 414 HD13 ILE 50 HD13 ILE 50 8.858 -5.047 -0.794 415 H LEU 51 HN LEU 51 3.383 -5.894 2.483 416 HA LEU 51 HA LEU 51 3.986 -6.601 5.320 417 HB2 LEU 51 HB2 LEU 51 2.274 -5.236 6.183 418 HB3 LEU 51 HB1 LEU 51 3.089 -4.211 5.015 419 HG LEU 51 HG LEU 51 0.473 -5.668 4.628 420 HD11 LEU 51 HD11 LEU 51 1.287 -2.746 4.721 421 HD12 LEU 51 HD12 LEU 51 0.347 -3.606 5.938 422 HD13 LEU 51 HD13 LEU 51 -0.333 -3.323 4.337 423 HD21 LEU 51 HD21 LEU 51 0.568 -4.282 2.414 424 HD22 LEU 51 HD22 LEU 51 1.477 -5.784 2.480 425 HD23 LEU 51 HD23 LEU 51 2.308 -4.244 2.688 426 H GLN 52 HN GLN 52 2.098 -7.722 6.353 427 HA GLN 52 HA GLN 52 1.259 -9.891 4.601 428 HB2 GLN 52 HB2 GLN 52 1.926 -10.246 6.975 429 HB3 GLN 52 HB1 GLN 52 0.527 -9.305 7.486 430 HG2 GLN 52 HG2 GLN 52 -0.009 -11.681 7.615 431 HG3 GLN 52 HG1 GLN 52 -0.956 -10.948 6.323 432 HE21 GLN 52 HE21 GLN 52 1.616 -13.237 7.028 433 HE22 GLN 52 HE22 GLN 52 1.820 -13.789 5.435 434 H THR 53 HN THR 53 -0.565 -9.822 3.404 435 HA THR 53 HA THR 53 -2.762 -7.968 4.244 436 HB THR 53 HB THR 53 -1.993 -9.010 1.508 437 HG1 THR 53 HG1 THR 53 -2.002 -6.508 1.399 438 HG21 THR 53 HG21 THR 53 -3.819 -7.366 0.792 439 HG22 THR 53 HG22 THR 53 -4.352 -7.386 2.473 440 HG23 THR 53 HG23 THR 53 -4.372 -8.873 1.524 441 H ASN 54 HN ASN 54 -4.403 -9.026 5.157 442 HA ASN 54 HA ASN 54 -4.935 -11.855 4.367 443 HB2 ASN 54 HB2 ASN 54 -4.595 -11.320 6.787 444 HB3 ASN 54 HB1 ASN 54 -6.012 -10.270 6.718 445 HD21 ASN 54 HD21 ASN 54 -5.730 -12.773 8.302 446 HD22 ASN 54 HD22 ASN 54 -6.946 -13.819 7.748 447 H THR 55 HN THR 55 -6.243 -11.770 2.602 448 HA THR 55 HA THR 55 -8.483 -9.817 2.520 449 HB THR 55 HB THR 55 -7.465 -11.766 0.433 450 HG1 THR 55 HG1 THR 55 -6.437 -9.543 1.315 451 HG21 THR 55 HG21 THR 55 -9.481 -9.507 0.318 452 HG22 THR 55 HG22 THR 55 -9.801 -11.223 0.057 453 HG23 THR 55 HG23 THR 55 -8.821 -10.320 -1.100 454 H TYR 56 HN TYR 56 -10.539 -10.443 2.927 455 HA TYR 56 HA TYR 56 -11.087 -13.368 3.263 456 HB2 TYR 56 HB2 TYR 56 -12.647 -11.017 4.361 457 HB3 TYR 56 HB1 TYR 56 -12.828 -12.719 4.792 458 HD1 TYR 56 HD1 TYR 56 -10.617 -9.763 5.034 459 HD2 TYR 56 HD2 TYR 56 -11.283 -13.817 6.291 460 HE1 TYR 56 HE1 TYR 56 -8.867 -9.511 6.773 461 HE2 TYR 56 HE2 TYR 56 -9.534 -13.563 8.031 462 HH TYR 56 HH TYR 56 -8.552 -11.227 9.325 463 H TYR 57 HN TYR 57 -12.741 -14.285 2.040 464 HA TYR 57 HA TYR 57 -14.617 -12.522 0.592 465 HB2 TYR 57 HB2 TYR 57 -14.060 -13.482 -1.610 466 HB3 TYR 57 HB1 TYR 57 -12.688 -12.612 -0.929 467 HD1 TYR 57 HD2 TYR 57 -14.064 -15.929 -1.756 468 HD2 TYR 57 HD1 TYR 57 -10.712 -13.801 -0.114 469 HE1 TYR 57 HE2 TYR 57 -12.672 -17.972 -1.948 470 HE2 TYR 57 HE1 TYR 57 -9.321 -15.843 -0.310 471 HH TYR 57 HH TYR 57 -9.208 -17.911 -1.215 472 H SER 58 HN SER 58 -16.543 -13.516 0.204 473 HA SER 58 HA SER 58 -16.721 -16.484 0.499 474 HB2 SER 58 HB2 SER 58 -18.350 -16.387 2.164 475 HB3 SER 58 HB1 SER 58 -17.340 -15.019 2.621 476 HG SER 58 HG SER 58 -18.988 -14.079 0.856 477 H ASP 59 HN ASP 59 -19.228 -17.010 0.014 478 HA ASP 59 HA ASP 59 -19.677 -16.377 -2.731 479 HB2 ASP 59 HB2 ASP 59 -21.468 -17.481 -0.558 480 HB3 ASP 59 HB1 ASP 59 -21.989 -17.334 -2.237 481 H THR 60 HN THR 60 -21.271 -15.139 0.227 482 HA THR 60 HA THR 60 -23.056 -13.360 -1.150 483 HB THR 60 HB THR 60 -21.946 -12.985 1.641 484 HG1 THR 60 HG1 THR 60 -23.096 -15.106 0.754 485 HG21 THR 60 HG21 THR 60 -23.277 -11.121 0.853 486 HG22 THR 60 HG22 THR 60 -24.236 -12.042 2.011 487 HG23 THR 60 HG23 THR 60 -24.540 -12.213 0.282 488 H LEU 61 HN LEU 61 -19.873 -12.780 0.387 489 HA LEU 61 HA LEU 61 -19.740 -9.985 -0.232 490 HB2 LEU 61 HB2 LEU 61 -17.709 -12.121 0.386 491 HB3 LEU 61 HB1 LEU 61 -17.156 -10.533 -0.141 492 HG LEU 61 HG LEU 61 -18.363 -9.469 1.698 493 HD11 LEU 61 HD11 LEU 61 -19.247 -12.302 2.293 494 HD12 LEU 61 HD12 LEU 61 -20.273 -10.920 1.914 495 HD13 LEU 61 HD13 LEU 61 -19.401 -10.976 3.444 496 HD21 LEU 61 HD21 LEU 61 -16.941 -10.190 3.468 497 HD22 LEU 61 HD22 LEU 61 -16.036 -10.518 1.993 498 HD23 LEU 61 HD23 LEU 61 -16.857 -11.833 2.836 499 H HIS 62 HN HIS 62 -18.671 -12.865 -1.979 500 HA HIS 62 HA HIS 62 -17.429 -11.510 -4.166 501 HB2 HIS 62 HB2 HIS 62 -17.133 -13.919 -3.647 502 HB3 HIS 62 HB1 HIS 62 -18.810 -14.208 -4.106 503 HD1 HIS 62 HD1 HIS 62 -19.429 -13.692 -6.657 504 HD2 HIS 62 HD2 HIS 62 -15.354 -13.825 -5.791 505 HE1 HIS 62 HE1 HIS 62 -18.232 -13.903 -8.878 506 H LYS 63 HN LYS 63 -20.733 -12.738 -3.694 507 HA LYS 63 HA LYS 63 -21.722 -11.958 -6.272 508 HB2 LYS 63 HB2 LYS 63 -22.856 -13.582 -4.757 509 HB3 LYS 63 HB1 LYS 63 -23.258 -12.248 -3.675 510 HG2 LYS 63 HG2 LYS 63 -24.542 -11.156 -5.445 511 HG3 LYS 63 HG1 LYS 63 -24.097 -12.428 -6.583 512 HD2 LYS 63 HD2 LYS 63 -25.246 -14.094 -5.157 513 HD3 LYS 63 HD1 LYS 63 -25.706 -12.810 -4.038 514 HE2 LYS 63 HE2 LYS 63 -26.965 -11.686 -5.837 515 HE3 LYS 63 HE1 LYS 63 -26.503 -12.962 -6.961 516 HZ1 LYS 63 HZ1 LYS 63 -28.417 -13.882 -6.289 517 HZ2 LYS 63 HZ2 LYS 63 -28.482 -12.985 -4.848 518 HZ3 LYS 63 HZ3 LYS 63 -27.520 -14.383 -4.940 519 H SER 64 HN SER 64 -21.711 -10.313 -3.116 520 HA SER 64 HA SER 64 -23.116 -7.976 -4.122 521 HB2 SER 64 HB2 SER 64 -21.487 -8.407 -1.601 522 HB3 SER 64 HB1 SER 64 -22.445 -6.967 -1.935 523 HG SER 64 HG SER 64 -24.160 -8.046 -1.392 524 H ASN 65 HN ASN 65 -20.132 -9.127 -4.816 525 HA ASN 65 HA ASN 65 -18.211 -8.185 -5.756 526 HB2 ASN 65 HB2 ASN 65 -19.828 -5.626 -5.958 527 HB3 ASN 65 HB1 ASN 65 -18.443 -6.100 -6.935 528 HD21 ASN 65 HD21 ASN 65 -19.135 -8.813 -7.478 529 HD22 ASN 65 HD22 ASN 65 -20.536 -8.835 -8.435 530 H ILE 66 HN ILE 66 -18.521 -8.162 -2.906 531 HA ILE 66 HA ILE 66 -17.066 -5.646 -2.151 532 HB ILE 66 HB ILE 66 -18.590 -7.565 -0.366 533 HG12 ILE 66 HG12 ILE 66 -20.163 -6.460 -1.845 534 HG13 ILE 66 HG11 ILE 66 -20.272 -5.699 -0.261 535 HG21 ILE 66 HG21 ILE 66 -16.773 -6.284 0.736 536 HG22 ILE 66 HG22 ILE 66 -18.363 -5.779 1.304 537 HG23 ILE 66 HG23 ILE 66 -17.485 -4.786 0.140 538 HD11 ILE 66 HD11 ILE 66 -18.496 -4.022 -1.237 539 HD12 ILE 66 HD12 ILE 66 -20.186 -3.845 -1.693 540 HD13 ILE 66 HD13 ILE 66 -19.056 -4.626 -2.797 541 H TYR 67 HN TYR 67 -15.001 -5.863 -1.532 542 HA TYR 67 HA TYR 67 -14.015 -8.585 -0.745 543 HB2 TYR 67 HB2 TYR 67 -12.644 -6.575 -2.534 544 HB3 TYR 67 HB1 TYR 67 -11.921 -8.072 -1.949 545 HD1 TYR 67 HD2 TYR 67 -14.584 -6.634 -4.080 546 HD2 TYR 67 HD1 TYR 67 -12.573 -10.217 -2.833 547 HE1 TYR 67 HE2 TYR 67 -15.672 -7.888 -5.923 548 HE2 TYR 67 HE1 TYR 67 -13.662 -11.472 -4.673 549 HH TYR 67 HH TYR 67 -15.628 -11.305 -6.100 550 HA PRO 68 HA PRO 68 -12.739 -5.539 2.464 551 HB2 PRO 68 HB2 PRO 68 -13.228 -7.044 4.652 552 HB3 PRO 68 HB1 PRO 68 -14.518 -6.190 3.786 553 HG2 PRO 68 HG2 PRO 68 -13.763 -9.073 3.689 554 HG3 PRO 68 HG1 PRO 68 -15.372 -8.328 3.672 555 HD2 PRO 68 HD2 PRO 68 -14.046 -9.241 1.407 556 HD3 PRO 68 HD1 PRO 68 -15.344 -8.031 1.381 557 H PHE 69 HN PHE 69 -10.760 -5.375 3.564 558 HA PHE 69 HA PHE 69 -9.089 -7.826 3.792 559 HB2 PHE 69 HB2 PHE 69 -7.194 -6.732 2.689 560 HB3 PHE 69 HB1 PHE 69 -8.558 -6.857 1.583 561 HD1 PHE 69 HD1 PHE 69 -6.557 -4.552 3.677 562 HD2 PHE 69 HD2 PHE 69 -9.789 -4.894 0.865 563 HE1 PHE 69 HE1 PHE 69 -6.518 -2.095 3.328 564 HE2 PHE 69 HE2 PHE 69 -9.749 -2.439 0.519 565 HZ PHE 69 HZ PHE 69 -8.111 -1.040 1.748 566 H ILE 70 HN ILE 70 -7.469 -7.680 5.314 567 HA ILE 70 HA ILE 70 -7.406 -5.208 7.006 568 HB ILE 70 HB ILE 70 -7.336 -8.105 7.913 569 HG12 ILE 70 HG12 ILE 70 -9.272 -5.879 8.605 570 HG13 ILE 70 HG11 ILE 70 -9.577 -7.067 7.339 571 HG21 ILE 70 HG21 ILE 70 -7.242 -7.039 10.203 572 HG22 ILE 70 HG22 ILE 70 -6.931 -5.499 9.408 573 HG23 ILE 70 HG23 ILE 70 -5.779 -6.815 9.250 574 HD11 ILE 70 HD11 ILE 70 -10.600 -7.643 9.576 575 HD12 ILE 70 HD12 ILE 70 -8.963 -7.809 10.211 576 HD13 ILE 70 HD13 ILE 70 -9.526 -8.881 8.928 577 H LEU 71 HN LEU 71 -5.367 -4.457 7.351 578 HA LEU 71 HA LEU 71 -3.128 -6.061 6.215 579 HB2 LEU 71 HB2 LEU 71 -3.457 -3.131 6.855 580 HB3 LEU 71 HB1 LEU 71 -1.934 -3.838 6.322 581 HG LEU 71 HG LEU 71 -4.549 -4.069 4.807 582 HD11 LEU 71 HD11 LEU 71 -2.285 -2.098 4.602 583 HD12 LEU 71 HD12 LEU 71 -4.017 -1.791 4.654 584 HD13 LEU 71 HD13 LEU 71 -3.290 -2.473 3.202 585 HD21 LEU 71 HD21 LEU 71 -1.788 -5.150 4.404 586 HD22 LEU 71 HD22 LEU 71 -2.588 -4.518 2.972 587 HD23 LEU 71 HD23 LEU 71 -3.353 -5.796 3.901 588 H TYR 72 HN TYR 72 -1.550 -6.843 7.411 589 HA TYR 72 HA TYR 72 -1.312 -5.987 10.270 590 HB2 TYR 72 HB2 TYR 72 -1.275 -8.758 9.054 591 HB3 TYR 72 HB1 TYR 72 -0.583 -8.422 10.642 592 HD1 TYR 72 HD1 TYR 72 -2.137 -6.968 12.230 593 HD2 TYR 72 HD2 TYR 72 -3.535 -9.390 8.971 594 HE1 TYR 72 HE1 TYR 72 -4.384 -7.060 13.266 595 HE2 TYR 72 HE2 TYR 72 -5.787 -9.484 10.008 596 HH TYR 72 HH TYR 72 -7.134 -8.235 11.579 597 H TYR 73 HN TYR 73 0.765 -5.797 11.030 598 HA TYR 73 HA TYR 73 3.007 -6.463 9.169 599 HB2 TYR 73 HB2 TYR 73 2.418 -4.045 8.931 600 HB3 TYR 73 HB1 TYR 73 2.709 -3.839 10.660 601 HD1 TYR 73 HD1 TYR 73 4.287 -4.745 7.427 602 HD2 TYR 73 HD2 TYR 73 4.928 -3.733 11.551 603 HE1 TYR 73 HE1 TYR 73 6.714 -4.497 6.987 604 HE2 TYR 73 HE2 TYR 73 7.355 -3.483 11.111 605 HH TYR 73 HH TYR 73 8.907 -4.707 8.608 606 H GLN 74 HN GLN 74 4.088 -7.946 10.333 607 HA GLN 74 HA GLN 74 5.147 -9.002 12.133 608 HB2 GLN 74 HB2 GLN 74 5.404 -6.115 13.032 609 HB3 GLN 74 HB1 GLN 74 6.224 -7.472 13.801 610 HG2 GLN 74 HG2 GLN 74 7.365 -8.009 11.706 611 HG3 GLN 74 HG1 GLN 74 6.507 -6.704 10.885 612 HE21 GLN 74 HE21 GLN 74 9.492 -7.074 11.505 613 HE22 GLN 74 HE22 GLN 74 9.934 -5.636 12.290 614 H LYS 75 HN LYS 75 3.782 -6.330 14.010 615 HA LYS 75 HA LYS 75 1.621 -8.025 15.050 616 HB2 LYS 75 HB2 LYS 75 3.737 -8.618 16.354 617 HB3 LYS 75 HB1 LYS 75 3.707 -6.965 16.970 618 HG2 LYS 75 HG2 LYS 75 1.530 -7.308 17.972 619 HG3 LYS 75 HG1 LYS 75 1.380 -8.890 17.210 620 HD2 LYS 75 HD2 LYS 75 2.048 -9.284 19.483 621 HD3 LYS 75 HD1 LYS 75 3.459 -9.592 18.475 622 HE2 LYS 75 HE2 LYS 75 4.479 -7.533 19.082 623 HE3 LYS 75 HE1 LYS 75 2.975 -6.889 19.743 624 HZ1 LYS 75 HZ1 LYS 75 3.101 -8.288 21.581 625 HZ2 LYS 75 HZ2 LYS 75 4.704 -7.765 21.367 626 HZ3 LYS 75 HZ3 LYS 75 4.237 -9.317 20.855 627 H GLN 76 HN GLN 76 0.852 -5.985 13.769 628 HA GLN 76 HA GLN 76 -0.233 -4.117 15.661 629 HB2 GLN 76 HB2 GLN 76 2.068 -3.187 15.585 630 HB3 GLN 76 HB1 GLN 76 1.929 -3.012 13.833 631 HG2 GLN 76 HG2 GLN 76 0.101 -1.440 14.072 632 HG3 GLN 76 HG1 GLN 76 0.033 -1.718 15.814 633 HE21 GLN 76 HE21 GLN 76 0.456 0.909 14.832 634 HE22 GLN 76 HE22 GLN 76 2.045 1.385 15.194 635 H LEU 77 HN LEU 77 -1.921 -2.943 14.729 636 HA LEU 77 HA LEU 77 -2.803 -3.853 12.103 637 HB2 LEU 77 HB2 LEU 77 -4.422 -3.516 13.927 638 HB3 LEU 77 HB1 LEU 77 -3.997 -1.808 14.005 639 HG LEU 77 HG LEU 77 -4.800 -1.493 11.690 640 HD11 LEU 77 HD11 LEU 77 -5.126 -4.478 11.853 641 HD12 LEU 77 HD12 LEU 77 -4.506 -3.491 10.532 642 HD13 LEU 77 HD13 LEU 77 -6.237 -3.554 10.843 643 HD21 LEU 77 HD21 LEU 77 -7.150 -1.644 12.166 644 HD22 LEU 77 HD22 LEU 77 -6.344 -1.335 13.703 645 HD23 LEU 77 HD23 LEU 77 -6.899 -2.960 13.309 646 H ILE 78 HN ILE 78 -2.638 -2.754 10.190 647 HA ILE 78 HA ILE 78 -1.268 -0.094 10.240 648 HB ILE 78 HB ILE 78 -1.694 -2.049 7.964 649 HG12 ILE 78 HG12 ILE 78 -0.266 -3.027 9.680 650 HG13 ILE 78 HG11 ILE 78 0.719 -2.566 8.297 651 HG21 ILE 78 HG21 ILE 78 -1.353 0.116 7.038 652 HG22 ILE 78 HG22 ILE 78 0.222 -0.676 6.979 653 HG23 ILE 78 HG23 ILE 78 -0.119 0.515 8.235 654 HD11 ILE 78 HD11 ILE 78 1.011 -0.302 9.666 655 HD12 ILE 78 HD12 ILE 78 1.997 -1.706 10.040 656 HD13 ILE 78 HD13 ILE 78 0.587 -1.334 11.029 657 H ALA 79 HN ALA 79 -3.924 -1.769 8.468 658 HA ALA 79 HA ALA 79 -5.627 0.558 8.751 659 HB1 ALA 79 HB1 ALA 79 -4.819 -0.012 5.904 660 HB2 ALA 79 HB2 ALA 79 -3.928 1.149 6.885 661 HB3 ALA 79 HB3 ALA 79 -5.641 1.405 6.558 662 H ILE 80 HN ILE 80 -7.750 0.222 7.790 663 HA ILE 80 HA ILE 80 -8.284 -2.569 6.856 664 HB ILE 80 HB ILE 80 -9.845 -1.054 8.966 665 HG12 ILE 80 HG12 ILE 80 -8.359 -3.687 9.137 666 HG13 ILE 80 HG11 ILE 80 -7.675 -2.150 9.661 667 HG21 ILE 80 HG21 ILE 80 -10.326 -3.658 7.501 668 HG22 ILE 80 HG22 ILE 80 -11.407 -2.269 7.622 669 HG23 ILE 80 HG23 ILE 80 -11.105 -3.279 9.035 670 HD11 ILE 80 HD11 ILE 80 -10.263 -3.328 10.718 671 HD12 ILE 80 HD12 ILE 80 -9.465 -1.864 11.295 672 HD13 ILE 80 HD13 ILE 80 -8.705 -3.438 11.542 673 H GLY 81 HN GLY 81 -9.754 -2.663 5.177 674 HA2 GLY 81 HA2 GLY 81 -11.707 -0.572 4.717 675 HA3 GLY 81 HA1 GLY 81 -10.335 -0.415 3.619 676 H PHE 82 HN PHE 82 -12.481 -0.866 2.221 677 HA PHE 82 HA PHE 82 -12.195 -3.661 1.334 678 HB2 PHE 82 HB2 PHE 82 -14.579 -4.169 1.451 679 HB3 PHE 82 HB1 PHE 82 -14.021 -3.711 3.058 680 HD1 PHE 82 HD1 PHE 82 -14.615 -1.549 4.043 681 HD2 PHE 82 HD2 PHE 82 -16.044 -2.710 0.162 682 HE1 PHE 82 HE1 PHE 82 -16.309 0.261 4.125 683 HE2 PHE 82 HE2 PHE 82 -17.737 -0.898 0.243 684 HZ PHE 82 HZ PHE 82 -17.871 0.585 2.226 685 H ILE 83 HN ILE 83 -13.337 -4.029 -0.755 686 HA ILE 83 HA ILE 83 -13.339 -1.504 -2.364 687 HB ILE 83 HB ILE 83 -13.052 -4.389 -3.241 688 HG12 ILE 83 HG12 ILE 83 -10.966 -2.196 -3.106 689 HG13 ILE 83 HG11 ILE 83 -11.162 -3.425 -1.857 690 HG21 ILE 83 HG21 ILE 83 -12.293 -3.292 -5.374 691 HG22 ILE 83 HG22 ILE 83 -12.825 -1.747 -4.709 692 HG23 ILE 83 HG23 ILE 83 -13.999 -3.029 -5.009 693 HD11 ILE 83 HD11 ILE 83 -10.697 -5.195 -3.457 694 HD12 ILE 83 HD12 ILE 83 -9.399 -4.004 -3.537 695 HD13 ILE 83 HD13 ILE 83 -10.648 -4.032 -4.782 696 H ASP 84 HN ASP 84 -15.240 -0.784 -3.109 697 HA ASP 84 HA ASP 84 -17.670 -2.411 -2.768 698 HB2 ASP 84 HB2 ASP 84 -17.556 0.012 -2.137 699 HB3 ASP 84 HB1 ASP 84 -17.368 0.404 -3.847 700 H GLU 85 HN GLU 85 -19.353 -2.027 -4.646 701 HA GLU 85 HA GLU 85 -18.455 -3.447 -6.962 702 HB2 GLU 85 HB2 GLU 85 -20.834 -3.344 -6.181 703 HB3 GLU 85 HB1 GLU 85 -20.891 -1.655 -6.688 704 HG2 GLU 85 HG2 GLU 85 -20.383 -2.312 -9.003 705 HG3 GLU 85 HG1 GLU 85 -20.293 -4.002 -8.511 706 H ASN 86 HN ASN 86 -18.850 -0.004 -6.265 707 HA ASN 86 HA ASN 86 -17.996 0.710 -9.020 708 HB2 ASN 86 HB2 ASN 86 -19.003 2.345 -6.676 709 HB3 ASN 86 HB1 ASN 86 -18.455 3.058 -8.193 710 HD21 ASN 86 HD21 ASN 86 -21.243 3.057 -7.077 711 HD22 ASN 86 HD22 ASN 86 -22.206 2.296 -8.251 712 H HIS 87 HN HIS 87 -16.090 -0.604 -7.321 713 HA HIS 87 HA HIS 87 -13.878 -0.403 -6.592 714 HB2 HIS 87 HB2 HIS 87 -14.025 2.022 -8.408 715 HB3 HIS 87 HB1 HIS 87 -12.536 1.344 -7.756 716 HD1 HIS 87 HD1 HIS 87 -12.070 -1.237 -8.427 717 HD2 HIS 87 HD2 HIS 87 -14.905 0.780 -10.721 718 HE1 HIS 87 HE1 HIS 87 -12.360 -2.583 -10.551 719 H ASP 88 HN ASP 88 -13.002 2.705 -6.714 720 HA ASP 88 HA ASP 88 -12.434 4.182 -4.986 721 HB2 ASP 88 HB2 ASP 88 -15.429 3.855 -4.712 722 HB3 ASP 88 HB1 ASP 88 -14.513 5.037 -3.774 723 H MET 89 HN MET 89 -11.099 2.936 -3.686 724 HA MET 89 HA MET 89 -11.954 0.943 -1.855 725 HB2 MET 89 HB2 MET 89 -9.537 2.764 -1.858 726 HB3 MET 89 HB1 MET 89 -9.751 1.444 -0.707 727 HG2 MET 89 HG2 MET 89 -9.978 -0.140 -2.614 728 HG3 MET 89 HG1 MET 89 -9.684 1.191 -3.730 729 HE1 MET 89 HE1 MET 89 -6.929 -0.558 -0.574 730 HE2 MET 89 HE2 MET 89 -7.678 -1.668 -1.718 731 HE3 MET 89 HE3 MET 89 -8.690 -0.630 -0.720 732 H ASP 90 HN ASP 90 -12.877 1.074 0.132 733 HA ASP 90 HA ASP 90 -13.396 3.792 1.254 734 HB2 ASP 90 HB2 ASP 90 -14.702 1.098 1.693 735 HB3 ASP 90 HB1 ASP 90 -15.091 2.530 2.648 736 H PHE 91 HN PHE 91 -12.425 4.402 3.111 737 HA PHE 91 HA PHE 91 -10.723 2.405 4.526 738 HB2 PHE 91 HB2 PHE 91 -10.757 5.427 4.408 739 HB3 PHE 91 HB1 PHE 91 -9.819 4.550 5.621 740 HD1 PHE 91 HD1 PHE 91 -8.039 2.958 4.916 741 HD2 PHE 91 HD2 PHE 91 -10.073 5.485 2.103 742 HE1 PHE 91 HE1 PHE 91 -6.263 2.520 3.243 743 HE2 PHE 91 HE2 PHE 91 -8.295 5.051 0.428 744 HZ PHE 91 HZ PHE 91 -6.390 3.568 0.999 745 H LEU 92 HN LEU 92 -11.400 1.608 6.400 746 HA LEU 92 HA LEU 92 -13.634 2.972 7.843 747 HB2 LEU 92 HB2 LEU 92 -14.084 0.645 7.182 748 HB3 LEU 92 HB1 LEU 92 -12.595 0.119 7.966 749 HG LEU 92 HG LEU 92 -13.450 0.806 10.145 750 HD11 LEU 92 HD11 LEU 92 -15.678 1.947 8.475 751 HD12 LEU 92 HD12 LEU 92 -14.810 2.675 9.827 752 HD13 LEU 92 HD13 LEU 92 -16.015 1.428 10.125 753 HD21 LEU 92 HD21 LEU 92 -14.014 -1.441 9.609 754 HD22 LEU 92 HD22 LEU 92 -15.266 -0.938 8.473 755 HD23 LEU 92 HD23 LEU 92 -15.512 -0.727 10.207 756 H TYR 93 HN TYR 93 -10.348 1.774 8.115 757 HA TYR 93 HA TYR 93 -10.000 3.373 10.554 758 HB2 TYR 93 HB2 TYR 93 -10.826 1.024 11.242 759 HB3 TYR 93 HB1 TYR 93 -9.266 0.438 10.667 760 HD1 TYR 93 HD2 TYR 93 -10.871 2.844 13.010 761 HD2 TYR 93 HD1 TYR 93 -7.301 0.687 11.991 762 HE1 TYR 93 HE2 TYR 93 -9.830 3.562 15.142 763 HE2 TYR 93 HE1 TYR 93 -6.261 1.403 14.126 764 HH TYR 93 HH TYR 93 -7.337 2.158 16.531 765 H LEU 94 HN LEU 94 -8.189 4.457 10.093 766 HA LEU 94 HA LEU 94 -6.033 3.080 8.534 767 HB2 LEU 94 HB2 LEU 94 -7.027 5.101 7.470 768 HB3 LEU 94 HB1 LEU 94 -6.559 6.047 8.881 769 HG LEU 94 HG LEU 94 -4.184 5.473 8.472 770 HD11 LEU 94 HD11 LEU 94 -4.073 3.435 7.361 771 HD12 LEU 94 HD12 LEU 94 -3.818 4.535 6.013 772 HD13 LEU 94 HD13 LEU 94 -5.409 3.824 6.277 773 HD21 LEU 94 HD21 LEU 94 -3.921 6.830 6.408 774 HD22 LEU 94 HD22 LEU 94 -5.107 7.531 7.509 775 HD23 LEU 94 HD23 LEU 94 -5.644 6.645 6.082 776 H HIS 95 HN HIS 95 -4.223 2.629 9.640 777 HA HIS 95 HA HIS 95 -3.568 4.252 12.068 778 HB2 HIS 95 HB2 HIS 95 -4.516 2.049 12.709 779 HB3 HIS 95 HB1 HIS 95 -3.253 1.252 11.771 780 HD1 HIS 95 HD1 HIS 95 -0.800 2.865 12.508 781 HD2 HIS 95 HD2 HIS 95 -3.657 1.740 15.328 782 HE1 HIS 95 HE1 HIS 95 0.358 2.936 14.759 783 H ASN 96 HN ASN 96 -1.716 5.272 11.652 784 HA ASN 96 HA ASN 96 0.195 4.156 9.701 785 HB2 ASN 96 HB2 ASN 96 -0.523 6.640 9.874 786 HB3 ASN 96 HB1 ASN 96 0.537 6.712 11.283 787 HD21 ASN 96 HD21 ASN 96 2.216 7.996 10.325 788 HD22 ASN 96 HD22 ASN 96 3.159 7.453 9.022 789 H THR 97 HN THR 97 1.932 3.007 10.337 790 HA THR 97 HA THR 97 2.451 1.920 12.789 791 HB THR 97 HB THR 97 4.843 1.766 12.117 792 HG1 THR 97 HG1 THR 97 3.952 3.697 10.265 793 HG21 THR 97 HG21 THR 97 3.361 0.156 11.132 794 HG22 THR 97 HG22 THR 97 4.393 0.749 9.833 795 HG23 THR 97 HG23 THR 97 2.738 1.341 9.984 796 H VAL 98 HN VAL 98 3.042 5.244 11.903 797 HA VAL 98 HA VAL 98 4.610 5.769 14.363 798 HB VAL 98 HB VAL 98 3.651 7.609 12.154 799 HG11 VAL 98 HG11 VAL 98 5.383 8.055 14.591 800 HG12 VAL 98 HG12 VAL 98 3.941 8.946 14.100 801 HG13 VAL 98 HG13 VAL 98 5.441 9.122 13.189 802 HG21 VAL 98 HG21 VAL 98 5.317 5.990 11.381 803 HG22 VAL 98 HG22 VAL 98 6.365 6.385 12.745 804 HG23 VAL 98 HG23 VAL 98 6.048 7.590 11.497 805 H MET 99 HN MET 99 1.578 6.936 12.871 806 HA MET 99 HA MET 99 0.201 6.872 15.389 807 HB2 MET 99 HB2 MET 99 -0.116 9.271 15.731 808 HB3 MET 99 HB1 MET 99 1.595 8.864 15.801 809 HG2 MET 99 HG2 MET 99 1.573 9.437 13.242 810 HG3 MET 99 HG1 MET 99 0.077 10.292 13.633 811 HE1 MET 99 HE1 MET 99 0.628 12.507 13.122 812 HE2 MET 99 HE2 MET 99 2.218 12.131 12.464 813 HE3 MET 99 HE3 MET 99 2.041 13.443 13.626 814 HA PRO 100 HA PRO 100 -2.932 6.490 12.110 815 HB2 PRO 100 HB2 PRO 100 -4.760 7.250 14.367 816 HB3 PRO 100 HB1 PRO 100 -4.898 5.909 13.209 817 HG2 PRO 100 HG2 PRO 100 -4.097 5.509 15.731 818 HG3 PRO 100 HG1 PRO 100 -3.434 4.572 14.379 819 HD2 PRO 100 HD2 PRO 100 -2.138 6.739 15.969 820 HD3 PRO 100 HD1 PRO 100 -1.409 5.361 15.104 821 H LEU 101 HN LEU 101 -3.891 7.962 10.732 822 HA LEU 101 HA LEU 101 -3.635 10.833 11.430 823 HB2 LEU 101 HB2 LEU 101 -4.409 9.481 8.824 824 HB3 LEU 101 HB1 LEU 101 -4.061 11.198 9.032 825 HG LEU 101 HG LEU 101 -2.106 8.934 9.549 826 HD11 LEU 101 HD11 LEU 101 -2.041 11.019 7.355 827 HD12 LEU 101 HD12 LEU 101 -2.726 9.410 7.130 828 HD13 LEU 101 HD13 LEU 101 -1.015 9.593 7.516 829 HD21 LEU 101 HD21 LEU 101 -1.394 10.658 10.975 830 HD22 LEU 101 HD22 LEU 101 -1.971 11.928 9.894 831 HD23 LEU 101 HD23 LEU 101 -0.507 11.028 9.501 832 H LEU 102 HN LEU 102 -5.975 8.421 11.551 833 HA LEU 102 HA LEU 102 -8.029 10.240 12.345 834 HB2 LEU 102 HB2 LEU 102 -9.628 9.908 10.498 835 HB3 LEU 102 HB1 LEU 102 -8.182 10.740 9.951 836 HG LEU 102 HG LEU 102 -7.475 8.093 9.530 837 HD11 LEU 102 HD11 LEU 102 -9.281 6.847 8.675 838 HD12 LEU 102 HD12 LEU 102 -10.326 8.263 8.553 839 HD13 LEU 102 HD13 LEU 102 -9.951 7.580 10.131 840 HD21 LEU 102 HD21 LEU 102 -7.191 9.967 7.948 841 HD22 LEU 102 HD22 LEU 102 -8.918 9.930 7.590 842 HD23 LEU 102 HD23 LEU 102 -7.895 8.563 7.145 843 H ASP 103 HN ASP 103 -9.215 9.091 13.748 844 HA ASP 103 HA ASP 103 -9.862 6.246 13.200 845 HB2 ASP 103 HB2 ASP 103 -8.324 7.289 15.593 846 HB3 ASP 103 HB1 ASP 103 -9.241 5.785 15.667 847 H GLN 104 HN GLN 104 -12.053 6.753 13.049 848 HA GLN 104 HA GLN 104 -13.298 8.220 15.339 849 HB2 GLN 104 HB2 GLN 104 -14.214 7.676 12.505 850 HB3 GLN 104 HB1 GLN 104 -15.276 8.352 13.744 851 HG2 GLN 104 HG2 GLN 104 -13.749 10.234 14.076 852 HG3 GLN 104 HG1 GLN 104 -12.611 9.544 12.918 853 HE21 GLN 104 HE21 GLN 104 -14.220 12.142 12.831 854 HE22 GLN 104 HE22 GLN 104 -15.043 12.080 11.345 855 H ARG 105 HN ARG 105 -14.143 6.954 16.854 856 HA ARG 105 HA ARG 105 -14.653 4.143 16.542 857 HB2 ARG 105 HB2 ARG 105 -15.512 6.168 18.625 858 HB3 ARG 105 HB1 ARG 105 -15.825 4.443 18.775 859 HG2 ARG 105 HG2 ARG 105 -13.013 5.408 18.251 860 HG3 ARG 105 HG1 ARG 105 -13.671 5.485 19.883 861 HD2 ARG 105 HD2 ARG 105 -13.502 2.980 18.173 862 HD3 ARG 105 HD1 ARG 105 -12.462 3.369 19.539 863 HE ARG 105 HE ARG 105 -15.075 3.507 20.532 864 HH11 ARG 105 HH21 ARG 105 -13.037 1.200 18.975 865 HH12 ARG 105 HH22 ARG 105 -13.754 -0.163 19.770 866 HH21 ARG 105 HH11 ARG 105 -16.018 1.744 21.571 867 HH22 ARG 105 HH12 ARG 105 -15.441 0.145 21.239 868 H TYR 106 HN TYR 106 -16.717 7.018 16.352 869 HA TYR 106 HA TYR 106 -19.235 5.717 16.382 870 HB2 TYR 106 HB2 TYR 106 -18.465 8.162 14.759 871 HB3 TYR 106 HB1 TYR 106 -20.095 7.703 15.250 872 HD1 TYR 106 HD1 TYR 106 -20.742 7.768 17.674 873 HD2 TYR 106 HD2 TYR 106 -16.942 9.226 16.290 874 HE1 TYR 106 HE1 TYR 106 -20.426 8.982 19.814 875 HE2 TYR 106 HE2 TYR 106 -16.627 10.437 18.430 876 HH TYR 106 HH TYR 106 -17.840 9.893 21.049 877 H LEU 107 HN LEU 107 -17.069 6.422 13.615 878 HA LEU 107 HA LEU 107 -18.816 5.271 11.643 879 HB2 LEU 107 HB2 LEU 107 -16.920 6.780 11.066 880 HB3 LEU 107 HB1 LEU 107 -15.793 5.521 11.560 881 HG LEU 107 HG LEU 107 -16.730 4.009 9.826 882 HD11 LEU 107 HD11 LEU 107 -18.148 5.335 8.029 883 HD12 LEU 107 HD12 LEU 107 -18.567 6.353 9.407 884 HD13 LEU 107 HD13 LEU 107 -18.944 4.630 9.433 885 HD21 LEU 107 HD21 LEU 107 -14.785 5.367 9.249 886 HD22 LEU 107 HD22 LEU 107 -15.821 6.734 8.841 887 HD23 LEU 107 HD23 LEU 107 -15.856 5.276 7.850 888 H LEU 108 HN LEU 108 -16.277 3.920 13.713 889 HA LEU 108 HA LEU 108 -16.065 1.391 12.424 890 HB2 LEU 108 HB2 LEU 108 -14.750 2.492 14.477 891 HB3 LEU 108 HB1 LEU 108 -15.904 1.566 15.426 892 HG LEU 108 HG LEU 108 -13.924 0.208 15.097 893 HD11 LEU 108 HD11 LEU 108 -16.295 -0.781 14.856 894 HD12 LEU 108 HD12 LEU 108 -14.949 -1.757 14.281 895 HD13 LEU 108 HD13 LEU 108 -15.938 -0.872 13.129 896 HD21 LEU 108 HD21 LEU 108 -12.729 0.092 13.151 897 HD22 LEU 108 HD22 LEU 108 -13.619 1.536 12.686 898 HD23 LEU 108 HD23 LEU 108 -14.171 -0.048 12.151 899 H THR 109 HN THR 109 -18.173 2.425 15.102 900 HA THR 109 HA THR 109 -19.729 -0.103 14.813 901 HB THR 109 HB THR 109 -19.436 0.145 17.091 902 HG1 THR 109 HG1 THR 109 -21.686 0.400 16.619 903 HG21 THR 109 HG21 THR 109 -19.292 3.100 16.510 904 HG22 THR 109 HG22 THR 109 -18.025 2.045 17.139 905 HG23 THR 109 HG23 THR 109 -19.397 2.483 18.159 906 H GLY 110 HN GLY 110 -19.678 2.792 13.376 907 HA2 GLY 110 HA2 GLY 110 -21.290 4.238 12.439 908 HA3 GLY 110 HA1 GLY 110 -22.055 2.709 12.013 909 H GLY 111 HN GLY 111 -21.894 5.195 14.545 910 HA2 GLY 111 HA2 GLY 111 -24.077 4.178 16.108 911 HA3 GLY 111 HA1 GLY 111 -23.470 5.832 16.160 912 H GLN 112 HN GLN 112 -26.230 4.285 15.750 913 HA GLN 112 HA GLN 112 -27.206 5.744 13.358 914 HB2 GLN 112 HB2 GLN 112 -29.265 4.437 13.687 915 HB3 GLN 112 HB1 GLN 112 -27.851 3.385 13.642 916 HG2 GLN 112 HG2 GLN 112 -27.810 3.393 16.140 917 HG3 GLN 112 HG1 GLN 112 -29.301 4.338 16.130 918 HE21 GLN 112 HE21 GLN 112 -30.500 2.547 17.161 919 HE22 GLN 112 HE22 GLN 112 -30.916 1.161 16.273 920 H LEU 113 HN LEU 113 -29.863 6.148 14.137 921 HA LEU 113 HA LEU 113 -29.552 8.602 15.673 922 HB2 LEU 113 HB2 LEU 113 -31.086 8.497 13.751 923 HB3 LEU 113 HB1 LEU 113 -32.048 7.276 14.579 924 HG LEU 113 HG LEU 113 -32.554 8.885 16.385 925 HD11 LEU 113 HD11 LEU 113 -30.625 10.589 14.829 926 HD12 LEU 113 HD12 LEU 113 -30.770 10.370 16.573 927 HD13 LEU 113 HD13 LEU 113 -31.934 11.374 15.714 928 HD21 LEU 113 HD21 LEU 113 -33.925 8.735 14.236 929 HD22 LEU 113 HD22 LEU 113 -33.093 10.199 13.713 930 HD23 LEU 113 HD23 LEU 113 -34.104 10.228 15.157 931 H GLU 114 HN GLU 114 -29.971 8.905 17.783 932 HA GLU 114 HA GLU 114 -30.374 6.706 19.561 933 HB2 GLU 114 HB2 GLU 114 -30.656 9.698 19.948 934 HB3 GLU 114 HB1 GLU 114 -30.727 8.528 21.270 935 HG2 GLU 114 HG2 GLU 114 -28.478 7.710 20.676 936 HG3 GLU 114 HG1 GLU 114 -28.405 8.869 19.348 937 H HIS 115 HN HIS 115 -32.212 5.827 20.385 938 HA HIS 115 HA HIS 115 -34.814 6.772 19.329 939 HB2 HIS 115 HB2 HIS 115 -35.672 4.643 20.128 940 HB3 HIS 115 HB1 HIS 115 -34.162 4.343 19.269 941 HD1 HIS 115 HD1 HIS 115 -32.015 3.870 20.766 942 HD2 HIS 115 HD2 HIS 115 -35.625 3.957 22.852 943 HE1 HIS 115 HE1 HIS 115 -31.565 2.811 23.024 944 H HIS 116 HN HIS 116 -33.023 7.893 21.649 945 HA HIS 116 HA HIS 116 -34.428 7.615 24.096 946 HB2 HIS 116 HB2 HIS 116 -33.277 9.658 24.782 947 HB3 HIS 116 HB1 HIS 116 -32.172 8.637 23.864 948 HD1 HIS 116 HD1 HIS 116 -31.587 11.630 23.958 949 HD2 HIS 116 HD2 HIS 116 -33.950 9.884 21.000 950 HE1 HIS 116 HE1 HIS 116 -31.535 13.206 21.976 951 H HIS 117 HN HIS 117 -34.981 10.340 24.783 952 HA HIS 117 HA HIS 117 -37.733 10.527 24.085 953 HB2 HIS 117 HB2 HIS 117 -35.803 12.613 25.139 954 HB3 HIS 117 HB1 HIS 117 -37.551 12.837 25.053 955 HD1 HIS 117 HD1 HIS 117 -39.017 11.111 26.484 956 HD2 HIS 117 HD2 HIS 117 -34.936 11.111 27.331 957 HE1 HIS 117 HE1 HIS 117 -38.743 9.878 28.678 958 H HIS 118 HN HIS 118 -34.869 12.173 22.766 959 HA HIS 118 HA HIS 118 -34.589 13.401 20.788 960 HB2 HIS 118 HB2 HIS 118 -35.495 11.219 19.852 961 HB3 HIS 118 HB1 HIS 118 -37.089 11.972 19.843 962 HD1 HIS 118 HD1 HIS 118 -33.591 12.792 18.549 963 HD2 HIS 118 HD2 HIS 118 -37.587 13.340 17.504 964 HE1 HIS 118 HE1 HIS 118 -33.590 13.956 16.300 965 H HIS 119 HN HIS 119 -38.141 13.149 20.726 966 HA HIS 119 HA HIS 119 -38.435 15.964 20.177 967 HB2 HIS 119 HB2 HIS 119 -40.434 13.845 20.994 968 HB3 HIS 119 HB1 HIS 119 -40.872 15.478 20.491 969 HD1 HIS 119 HD1 HIS 119 -39.825 16.170 18.033 970 HD2 HIS 119 HD2 HIS 119 -40.183 12.101 18.859 971 HE1 HIS 119 HE1 HIS 119 -39.686 14.974 15.807 972 H HIS 120 HN HIS 120 -38.981 17.632 21.544 973 HA HIS 120 HA HIS 120 -39.925 17.271 24.238 974 HB2 HIS 120 HB2 HIS 120 -37.911 18.002 25.440 975 HB3 HIS 120 HB1 HIS 120 -37.577 16.517 24.553 976 HD1 HIS 120 HD1 HIS 120 -36.342 16.869 22.160 977 HD2 HIS 120 HD2 HIS 120 -36.255 20.126 24.761 978 HE1 HIS 120 HE1 HIS 120 -34.510 18.405 21.324 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -10.934 -8.414 22.282 2 H2 MET 1 HT2 MET 1 -12.316 -7.777 23.039 3 H3 MET 1 HT3 MET 1 -10.770 -7.221 23.477 4 HA MET 1 HA MET 1 -12.480 -6.251 21.469 5 HB2 MET 1 HB2 MET 1 -9.707 -5.539 22.466 6 HB3 MET 1 HB1 MET 1 -10.612 -4.545 21.321 7 HG2 MET 1 HG2 MET 1 -12.426 -4.270 22.930 8 HG3 MET 1 HG1 MET 1 -11.630 -5.365 24.057 9 HE1 MET 1 HE1 MET 1 -10.590 -1.125 22.845 10 HE2 MET 1 HE2 MET 1 -11.513 -2.347 21.976 11 HE3 MET 1 HE3 MET 1 -9.754 -2.353 21.887 12 H THR 2 HN THR 2 -12.481 -8.010 19.871 13 HA THR 2 HA THR 2 -9.943 -8.376 18.357 14 HB THR 2 HB THR 2 -11.248 -10.163 17.179 15 HG1 THR 2 HG1 THR 2 -13.188 -9.656 19.172 16 HG21 THR 2 HG21 THR 2 -11.077 -10.219 20.199 17 HG22 THR 2 HG22 THR 2 -9.887 -10.823 19.046 18 HG23 THR 2 HG23 THR 2 -11.437 -11.645 19.225 19 H LEU 3 HN LEU 3 -9.600 -7.102 16.640 20 HA LEU 3 HA LEU 3 -11.556 -5.332 15.521 21 HB2 LEU 3 HB2 LEU 3 -9.849 -4.914 13.782 22 HB3 LEU 3 HB1 LEU 3 -9.144 -4.894 15.395 23 HG LEU 3 HG LEU 3 -8.866 -7.568 14.749 24 HD11 LEU 3 HD11 LEU 3 -8.187 -7.837 12.492 25 HD12 LEU 3 HD12 LEU 3 -8.173 -6.102 12.198 26 HD13 LEU 3 HD13 LEU 3 -9.703 -6.948 12.396 27 HD21 LEU 3 HD21 LEU 3 -6.902 -5.352 14.077 28 HD22 LEU 3 HD22 LEU 3 -6.500 -7.053 14.312 29 HD23 LEU 3 HD23 LEU 3 -7.104 -6.096 15.664 30 H GLU 4 HN GLU 4 -10.375 -8.533 14.574 31 HA GLU 4 HA GLU 4 -11.476 -8.780 12.012 32 HB2 GLU 4 HB2 GLU 4 -11.272 -10.824 14.243 33 HB3 GLU 4 HB1 GLU 4 -11.687 -11.234 12.579 34 HG2 GLU 4 HG2 GLU 4 -9.555 -10.326 11.790 35 HG3 GLU 4 HG1 GLU 4 -9.144 -9.813 13.427 36 H LEU 5 HN LEU 5 -13.077 -9.498 15.126 37 HA LEU 5 HA LEU 5 -15.624 -10.141 13.979 38 HB2 LEU 5 HB2 LEU 5 -14.678 -9.289 16.713 39 HB3 LEU 5 HB1 LEU 5 -16.406 -9.430 16.386 40 HG LEU 5 HG LEU 5 -16.080 -11.769 15.660 41 HD11 LEU 5 HD11 LEU 5 -13.863 -11.781 14.796 42 HD12 LEU 5 HD12 LEU 5 -13.791 -12.780 16.248 43 HD13 LEU 5 HD13 LEU 5 -13.196 -11.121 16.288 44 HD21 LEU 5 HD21 LEU 5 -15.296 -12.656 17.934 45 HD22 LEU 5 HD22 LEU 5 -16.638 -11.512 17.972 46 HD23 LEU 5 HD23 LEU 5 -15.009 -10.974 18.377 47 H GLN 6 HN GLN 6 -14.221 -7.093 15.160 48 HA GLN 6 HA GLN 6 -16.571 -5.492 14.899 49 HB2 GLN 6 HB2 GLN 6 -13.643 -4.755 14.627 50 HB3 GLN 6 HB1 GLN 6 -14.955 -3.586 14.758 51 HG2 GLN 6 HG2 GLN 6 -14.388 -5.731 16.824 52 HG3 GLN 6 HG1 GLN 6 -13.817 -4.066 16.944 53 HE21 GLN 6 HE21 GLN 6 -15.343 -2.429 17.535 54 HE22 GLN 6 HE22 GLN 6 -16.950 -2.778 17.958 55 H LEU 7 HN LEU 7 -13.936 -6.186 12.585 56 HA LEU 7 HA LEU 7 -14.926 -4.501 10.504 57 HB2 LEU 7 HB2 LEU 7 -12.652 -5.386 10.435 58 HB3 LEU 7 HB1 LEU 7 -13.264 -7.036 10.357 59 HG LEU 7 HG LEU 7 -14.270 -6.608 8.168 60 HD11 LEU 7 HD11 LEU 7 -14.989 -4.373 8.185 61 HD12 LEU 7 HD12 LEU 7 -13.601 -4.307 7.104 62 HD13 LEU 7 HD13 LEU 7 -13.441 -3.778 8.778 63 HD21 LEU 7 HD21 LEU 7 -11.397 -5.699 8.452 64 HD22 LEU 7 HD22 LEU 7 -12.156 -6.018 6.894 65 HD23 LEU 7 HD23 LEU 7 -11.976 -7.321 8.069 66 H LYS 8 HN LYS 8 -15.452 -7.958 11.174 67 HA LYS 8 HA LYS 8 -17.103 -8.456 8.890 68 HB2 LYS 8 HB2 LYS 8 -16.956 -9.807 11.600 69 HB3 LYS 8 HB1 LYS 8 -17.901 -10.430 10.246 70 HG2 LYS 8 HG2 LYS 8 -15.860 -10.570 8.870 71 HG3 LYS 8 HG1 LYS 8 -14.908 -9.922 10.206 72 HD2 LYS 8 HD2 LYS 8 -15.526 -11.858 11.601 73 HD3 LYS 8 HD1 LYS 8 -16.497 -12.506 10.279 74 HE2 LYS 8 HE2 LYS 8 -14.483 -12.656 8.864 75 HE3 LYS 8 HE1 LYS 8 -13.508 -11.999 10.178 76 HZ1 LYS 8 HZ1 LYS 8 -13.711 -13.903 11.408 77 HZ2 LYS 8 HZ2 LYS 8 -13.702 -14.555 9.839 78 HZ3 LYS 8 HZ3 LYS 8 -15.168 -14.369 10.676 79 H HIS 9 HN HIS 9 -17.842 -7.444 12.205 80 HA HIS 9 HA HIS 9 -20.698 -7.491 11.925 81 HB2 HIS 9 HB2 HIS 9 -19.498 -7.419 14.105 82 HB3 HIS 9 HB1 HIS 9 -18.992 -5.768 13.748 83 HD1 HIS 9 HD1 HIS 9 -22.239 -7.758 14.021 84 HD2 HIS 9 HD2 HIS 9 -20.825 -3.877 14.584 85 HE1 HIS 9 HE1 HIS 9 -24.175 -6.418 14.951 86 H TYR 10 HN TYR 10 -18.269 -4.931 11.454 87 HA TYR 10 HA TYR 10 -20.078 -2.794 10.972 88 HB2 TYR 10 HB2 TYR 10 -17.712 -2.388 11.351 89 HB3 TYR 10 HB1 TYR 10 -17.291 -3.279 9.888 90 HD1 TYR 10 HD2 TYR 10 -19.409 -0.391 11.019 91 HD2 TYR 10 HD1 TYR 10 -17.027 -2.098 7.879 92 HE1 TYR 10 HE2 TYR 10 -19.688 1.679 9.681 93 HE2 TYR 10 HE1 TYR 10 -17.311 -0.030 6.538 94 HH TYR 10 HH TYR 10 -19.344 1.945 6.615 95 H ILE 11 HN ILE 11 -18.493 -5.007 8.656 96 HA ILE 11 HA ILE 11 -19.758 -3.891 6.338 97 HB ILE 11 HB ILE 11 -18.567 -6.631 6.840 98 HG12 ILE 11 HG12 ILE 11 -16.986 -4.748 7.021 99 HG13 ILE 11 HG11 ILE 11 -16.647 -5.717 5.592 100 HG21 ILE 11 HG21 ILE 11 -20.018 -6.931 4.985 101 HG22 ILE 11 HG22 ILE 11 -18.430 -6.640 4.277 102 HG23 ILE 11 HG23 ILE 11 -19.627 -5.345 4.320 103 HD11 ILE 11 HD11 ILE 11 -17.658 -2.918 5.792 104 HD12 ILE 11 HD12 ILE 11 -18.298 -3.883 4.468 105 HD13 ILE 11 HD13 ILE 11 -16.564 -3.633 4.617 106 H THR 12 HN THR 12 -20.653 -6.637 8.436 107 HA THR 12 HA THR 12 -22.815 -7.627 6.930 108 HB THR 12 HB THR 12 -23.814 -8.202 9.224 109 HG1 THR 12 HG1 THR 12 -21.589 -6.655 9.888 110 HG21 THR 12 HG21 THR 12 -21.768 -9.693 9.778 111 HG22 THR 12 HG22 THR 12 -21.049 -8.998 8.326 112 HG23 THR 12 HG23 THR 12 -22.555 -9.911 8.217 113 H ASN 13 HN ASN 13 -22.913 -5.066 9.437 114 HA ASN 13 HA ASN 13 -25.703 -4.516 9.037 115 HB2 ASN 13 HB2 ASN 13 -25.382 -2.683 10.506 116 HB3 ASN 13 HB1 ASN 13 -24.199 -3.872 11.037 117 HD21 ASN 13 HD21 ASN 13 -24.388 -1.122 8.685 118 HD22 ASN 13 HD22 ASN 13 -22.817 -0.562 8.999 119 H LEU 14 HN LEU 14 -22.777 -3.450 7.458 120 HA LEU 14 HA LEU 14 -23.799 -1.101 6.226 121 HB2 LEU 14 HB2 LEU 14 -21.365 -2.200 6.331 122 HB3 LEU 14 HB1 LEU 14 -21.833 -2.851 4.766 123 HG LEU 14 HG LEU 14 -20.696 -0.751 4.393 124 HD11 LEU 14 HD11 LEU 14 -22.876 -1.336 3.131 125 HD12 LEU 14 HD12 LEU 14 -22.288 0.320 3.022 126 HD13 LEU 14 HD13 LEU 14 -23.621 -0.071 4.106 127 HD21 LEU 14 HD21 LEU 14 -22.691 0.954 5.808 128 HD22 LEU 14 HD22 LEU 14 -20.944 1.132 5.674 129 HD23 LEU 14 HD23 LEU 14 -21.622 0.030 6.865 130 H PHE 15 HN PHE 15 -23.708 -4.472 5.060 131 HA PHE 15 HA PHE 15 -25.677 -3.714 2.924 132 HB2 PHE 15 HB2 PHE 15 -23.613 -5.933 3.046 133 HB3 PHE 15 HB1 PHE 15 -24.833 -5.789 1.778 134 HD1 PHE 15 HD1 PHE 15 -24.894 -3.712 0.345 135 HD2 PHE 15 HD2 PHE 15 -21.653 -4.541 3.043 136 HE1 PHE 15 HE1 PHE 15 -23.487 -2.043 -0.831 137 HE2 PHE 15 HE2 PHE 15 -20.246 -2.872 1.863 138 HZ PHE 15 HZ PHE 15 -21.167 -1.619 -0.069 139 H ASN 16 HN ASN 16 -25.692 -4.851 5.920 140 HA ASN 16 HA ASN 16 -27.130 -6.208 7.161 141 HB2 ASN 16 HB2 ASN 16 -28.846 -6.086 4.662 142 HB3 ASN 16 HB1 ASN 16 -29.390 -6.469 6.295 143 HD21 ASN 16 HD21 ASN 16 -27.520 -4.413 7.477 144 HD22 ASN 16 HD22 ASN 16 -28.252 -2.913 7.164 145 H LEU 17 HN LEU 17 -25.040 -7.526 5.703 146 HA LEU 17 HA LEU 17 -26.207 -9.887 4.479 147 HB2 LEU 17 HB2 LEU 17 -23.384 -9.134 5.222 148 HB3 LEU 17 HB1 LEU 17 -23.788 -10.680 4.483 149 HG LEU 17 HG LEU 17 -24.724 -8.105 3.209 150 HD11 LEU 17 HD11 LEU 17 -22.295 -7.864 3.558 151 HD12 LEU 17 HD12 LEU 17 -22.674 -8.080 1.849 152 HD13 LEU 17 HD13 LEU 17 -22.027 -9.427 2.786 153 HD21 LEU 17 HD21 LEU 17 -24.478 -9.528 1.145 154 HD22 LEU 17 HD22 LEU 17 -25.654 -10.160 2.289 155 HD23 LEU 17 HD23 LEU 17 -24.054 -10.887 2.181 156 HA PRO 18 HA PRO 18 -26.771 -12.500 8.040 157 HB2 PRO 18 HB2 PRO 18 -25.021 -14.506 6.642 158 HB3 PRO 18 HB1 PRO 18 -26.627 -14.725 7.368 159 HG2 PRO 18 HG2 PRO 18 -26.339 -14.553 4.737 160 HG3 PRO 18 HG1 PRO 18 -27.716 -13.792 5.556 161 HD2 PRO 18 HD2 PRO 18 -25.274 -12.504 4.391 162 HD3 PRO 18 HD1 PRO 18 -26.944 -11.902 4.505 163 H ARG 19 HN ARG 19 -25.753 -12.635 9.980 164 HA ARG 19 HA ARG 19 -22.856 -12.051 10.139 165 HB2 ARG 19 HB2 ARG 19 -24.999 -12.278 12.279 166 HB3 ARG 19 HB1 ARG 19 -23.334 -11.775 12.558 167 HG2 ARG 19 HG2 ARG 19 -24.244 -9.672 12.280 168 HG3 ARG 19 HG1 ARG 19 -23.963 -10.031 10.583 169 HD2 ARG 19 HD2 ARG 19 -26.235 -9.207 10.833 170 HD3 ARG 19 HD1 ARG 19 -26.316 -10.925 10.448 171 HE ARG 19 HE ARG 19 -26.291 -10.443 13.313 172 HH11 ARG 19 HH21 ARG 19 -28.200 -10.503 10.438 173 HH12 ARG 19 HH22 ARG 19 -29.677 -10.853 11.272 174 HH21 ARG 19 HH11 ARG 19 -28.205 -10.901 14.410 175 HH22 ARG 19 HH12 ARG 19 -29.680 -11.079 13.520 176 H ASP 20 HN ASP 20 -25.007 -14.740 10.397 177 HA ASP 20 HA ASP 20 -23.157 -16.330 12.059 178 HB2 ASP 20 HB2 ASP 20 -25.666 -16.537 12.205 179 HB3 ASP 20 HB1 ASP 20 -25.646 -17.234 10.586 180 H GLU 21 HN GLU 21 -23.138 -15.392 8.892 181 HA GLU 21 HA GLU 21 -22.280 -18.021 7.802 182 HB2 GLU 21 HB2 GLU 21 -23.773 -16.496 6.478 183 HB3 GLU 21 HB1 GLU 21 -22.449 -15.334 6.406 184 HG2 GLU 21 HG2 GLU 21 -22.371 -16.624 4.372 185 HG3 GLU 21 HG1 GLU 21 -21.027 -17.167 5.374 186 H LYS 22 HN LYS 22 -20.194 -18.574 7.993 187 HA LYS 22 HA LYS 22 -18.160 -16.568 8.651 188 HB2 LYS 22 HB2 LYS 22 -18.077 -19.566 8.255 189 HB3 LYS 22 HB1 LYS 22 -16.655 -18.605 8.654 190 HG2 LYS 22 HG2 LYS 22 -19.130 -18.310 10.347 191 HG3 LYS 22 HG1 LYS 22 -18.106 -19.723 10.583 192 HD2 LYS 22 HD2 LYS 22 -16.825 -16.994 10.500 193 HD3 LYS 22 HD1 LYS 22 -17.652 -17.512 11.967 194 HE2 LYS 22 HE2 LYS 22 -16.250 -19.523 12.074 195 HE3 LYS 22 HE1 LYS 22 -15.441 -19.058 10.579 196 HZ1 LYS 22 HZ1 LYS 22 -14.584 -17.110 11.624 197 HZ2 LYS 22 HZ2 LYS 22 -14.212 -18.442 12.612 198 HZ3 LYS 22 HZ3 LYS 22 -15.482 -17.396 13.035 199 H TRP 23 HN TRP 23 -16.410 -16.001 7.339 200 HA TRP 23 HA TRP 23 -16.758 -16.588 4.426 201 HB2 TRP 23 HB2 TRP 23 -15.074 -14.425 5.710 202 HB3 TRP 23 HB1 TRP 23 -15.555 -14.548 4.020 203 HD1 TRP 23 HD1 TRP 23 -18.655 -15.451 5.055 204 HE1 TRP 23 HE1 TRP 23 -20.223 -13.514 5.680 205 HE3 TRP 23 HE3 TRP 23 -15.225 -11.739 5.793 206 HZ2 TRP 23 HZ2 TRP 23 -20.055 -10.753 6.396 207 HZ3 TRP 23 HZ3 TRP 23 -15.958 -9.465 6.444 208 HH2 TRP 23 HH2 TRP 23 -18.368 -8.967 6.746 209 H GLU 24 HN GLU 24 -14.451 -16.304 3.311 210 HA GLU 24 HA GLU 24 -12.632 -18.260 4.673 211 HB2 GLU 24 HB2 GLU 24 -13.598 -18.966 2.492 212 HB3 GLU 24 HB1 GLU 24 -12.859 -17.556 1.730 213 HG2 GLU 24 HG2 GLU 24 -10.631 -18.336 2.376 214 HG3 GLU 24 HG1 GLU 24 -11.338 -19.714 3.221 215 H CYS 25 HN CYS 25 -10.670 -17.535 5.280 216 HA CYS 25 HA CYS 25 -9.907 -14.755 4.627 217 HB2 CYS 25 HB2 CYS 25 -8.294 -16.608 6.375 218 HB3 CYS 25 HB1 CYS 25 -8.515 -14.861 6.505 219 HG CYS 25 HG CYS 25 -10.833 -15.224 7.535 220 H GLU 26 HN GLU 26 -7.979 -14.197 3.590 221 HA GLU 26 HA GLU 26 -6.334 -16.409 2.424 222 HB2 GLU 26 HB2 GLU 26 -7.950 -15.590 0.711 223 HB3 GLU 26 HB1 GLU 26 -7.311 -13.958 0.922 224 HG2 GLU 26 HG2 GLU 26 -5.092 -14.698 0.219 225 HG3 GLU 26 HG1 GLU 26 -5.661 -16.362 0.093 226 H SER 27 HN SER 27 -4.532 -16.022 3.672 227 HA SER 27 HA SER 27 -3.601 -13.247 4.094 228 HB2 SER 27 HB2 SER 27 -3.488 -14.732 6.002 229 HB3 SER 27 HB1 SER 27 -2.598 -15.935 5.073 230 HG SER 27 HG SER 27 -1.725 -13.288 5.643 231 H ILE 28 HN ILE 28 -2.082 -12.325 2.825 232 HA ILE 28 HA ILE 28 0.014 -13.951 1.577 233 HB ILE 28 HB ILE 28 -1.819 -14.142 -0.063 234 HG12 ILE 28 HG12 ILE 28 -0.604 -13.248 -2.028 235 HG13 ILE 28 HG11 ILE 28 0.395 -12.262 -0.966 236 HG21 ILE 28 HG21 ILE 28 -2.979 -12.035 0.564 237 HG22 ILE 28 HG22 ILE 28 -2.707 -12.155 -1.174 238 HG23 ILE 28 HG23 ILE 28 -1.676 -11.116 -0.191 239 HD11 ILE 28 HD11 ILE 28 1.235 -14.639 -1.801 240 HD12 ILE 28 HD12 ILE 28 0.263 -15.218 -0.449 241 HD13 ILE 28 HD13 ILE 28 1.587 -14.085 -0.166 242 H GLU 29 HN GLU 29 1.830 -12.711 1.058 243 HA GLU 29 HA GLU 29 1.889 -10.034 2.265 244 HB2 GLU 29 HB2 GLU 29 4.007 -11.799 1.018 245 HB3 GLU 29 HB1 GLU 29 4.343 -10.188 1.658 246 HG2 GLU 29 HG2 GLU 29 3.527 -10.856 3.857 247 HG3 GLU 29 HG1 GLU 29 3.082 -12.445 3.240 248 H GLU 30 HN GLU 30 1.627 -8.184 1.130 249 HA GLU 30 HA GLU 30 2.418 -8.110 -1.741 250 HB2 GLU 30 HB2 GLU 30 -0.327 -7.402 -0.671 251 HB3 GLU 30 HB1 GLU 30 0.261 -6.888 -2.252 252 HG2 GLU 30 HG2 GLU 30 0.584 -9.227 -2.917 253 HG3 GLU 30 HG1 GLU 30 0.056 -9.768 -1.324 254 H VAL 31 HN VAL 31 2.659 -5.905 -2.530 255 HA VAL 31 HA VAL 31 3.809 -4.159 -0.525 256 HB VAL 31 HB VAL 31 3.252 -3.768 -3.478 257 HG11 VAL 31 HG11 VAL 31 3.360 -1.574 -2.546 258 HG12 VAL 31 HG12 VAL 31 4.979 -1.897 -3.170 259 HG13 VAL 31 HG13 VAL 31 4.658 -2.029 -1.440 260 HG21 VAL 31 HG21 VAL 31 5.559 -4.305 -3.781 261 HG22 VAL 31 HG22 VAL 31 4.937 -5.527 -2.673 262 HG23 VAL 31 HG23 VAL 31 5.890 -4.177 -2.054 263 H ALA 32 HN ALA 32 2.907 -2.383 0.433 264 HA ALA 32 HA ALA 32 0.107 -2.051 0.612 265 HB1 ALA 32 HB1 ALA 32 1.467 -1.122 2.330 266 HB2 ALA 32 HB2 ALA 32 0.750 0.266 1.513 267 HB3 ALA 32 HB3 ALA 32 2.418 -0.191 1.177 268 H ASP 33 HN ASP 33 2.452 -0.202 -1.370 269 HA ASP 33 HA ASP 33 0.555 1.615 -2.468 270 HB2 ASP 33 HB2 ASP 33 3.058 1.814 -2.597 271 HB3 ASP 33 HB1 ASP 33 3.042 0.564 -3.841 272 H ASP 34 HN ASP 34 0.588 -1.699 -2.807 273 HA ASP 34 HA ASP 34 -0.345 -1.729 -5.624 274 HB2 ASP 34 HB2 ASP 34 1.135 -3.544 -4.583 275 HB3 ASP 34 HB1 ASP 34 -0.296 -4.055 -3.688 276 H ILE 35 HN ILE 35 -1.612 -1.664 -2.395 277 HA ILE 35 HA ILE 35 -4.389 -1.927 -3.496 278 HB ILE 35 HB ILE 35 -4.999 -2.918 -1.244 279 HG12 ILE 35 HG12 ILE 35 -2.017 -3.430 -1.057 280 HG13 ILE 35 HG11 ILE 35 -2.837 -2.158 -0.150 281 HG21 ILE 35 HG21 ILE 35 -3.066 -4.438 -3.018 282 HG22 ILE 35 HG22 ILE 35 -4.806 -4.292 -3.265 283 HG23 ILE 35 HG23 ILE 35 -4.184 -5.178 -1.872 284 HD11 ILE 35 HD11 ILE 35 -3.797 -5.021 -0.033 285 HD12 ILE 35 HD12 ILE 35 -4.108 -3.708 1.101 286 HD13 ILE 35 HD13 ILE 35 -2.507 -4.443 1.021 287 H LEU 36 HN LEU 36 -2.251 0.182 -2.347 288 HA LEU 36 HA LEU 36 -4.352 1.777 -0.960 289 HB2 LEU 36 HB2 LEU 36 -1.484 1.402 -0.142 290 HB3 LEU 36 HB1 LEU 36 -2.460 2.751 0.428 291 HG LEU 36 HG LEU 36 -3.583 -0.039 0.658 292 HD11 LEU 36 HD11 LEU 36 -1.474 -0.427 1.660 293 HD12 LEU 36 HD12 LEU 36 -2.546 -0.050 3.008 294 HD13 LEU 36 HD13 LEU 36 -1.433 1.174 2.396 295 HD21 LEU 36 HD21 LEU 36 -3.777 2.467 2.365 296 HD22 LEU 36 HD22 LEU 36 -4.645 0.963 2.664 297 HD23 LEU 36 HD23 LEU 36 -4.998 1.910 1.224 298 HA PRO 37 HA PRO 37 -3.304 4.438 -4.489 299 HB2 PRO 37 HB2 PRO 37 -4.584 6.470 -2.685 300 HB3 PRO 37 HB1 PRO 37 -4.870 6.156 -4.408 301 HG2 PRO 37 HG2 PRO 37 -6.585 5.331 -2.530 302 HG3 PRO 37 HG1 PRO 37 -6.266 4.374 -3.987 303 HD2 PRO 37 HD2 PRO 37 -5.383 3.871 -1.184 304 HD3 PRO 37 HD1 PRO 37 -5.678 2.720 -2.511 305 H ASP 38 HN ASP 38 -1.558 5.771 -4.887 306 HA ASP 38 HA ASP 38 0.550 6.075 -3.100 307 HB2 ASP 38 HB2 ASP 38 1.341 7.916 -4.577 308 HB3 ASP 38 HB1 ASP 38 0.798 6.509 -5.490 309 H GLN 39 HN GLN 39 -2.427 7.778 -3.165 310 HA GLN 39 HA GLN 39 -1.607 10.202 -1.844 311 HB2 GLN 39 HB2 GLN 39 -4.285 8.784 -1.934 312 HB3 GLN 39 HB1 GLN 39 -4.037 10.424 -1.335 313 HG2 GLN 39 HG2 GLN 39 -3.322 9.501 -4.134 314 HG3 GLN 39 HG1 GLN 39 -4.806 10.357 -3.715 315 HE21 GLN 39 HE21 GLN 39 -1.895 10.970 -5.075 316 HE22 GLN 39 HE22 GLN 39 -1.630 12.557 -4.532 317 H TYR 40 HN TYR 40 -2.737 7.047 -0.656 318 HA TYR 40 HA TYR 40 -2.425 7.996 2.157 319 HB2 TYR 40 HB2 TYR 40 -3.696 5.507 0.985 320 HB3 TYR 40 HB1 TYR 40 -3.562 5.836 2.714 321 HD1 TYR 40 HD1 TYR 40 -4.821 7.664 3.759 322 HD2 TYR 40 HD2 TYR 40 -5.205 6.807 -0.433 323 HE1 TYR 40 HE1 TYR 40 -6.852 9.082 3.655 324 HE2 TYR 40 HE2 TYR 40 -7.237 8.225 -0.536 325 HH TYR 40 HH TYR 40 -8.928 9.213 2.153 326 H VAL 41 HN VAL 41 -0.282 7.069 0.071 327 HA VAL 41 HA VAL 41 1.040 4.995 1.797 328 HB VAL 41 HB VAL 41 1.584 5.732 -1.092 329 HG11 VAL 41 HG11 VAL 41 3.579 4.885 -0.051 330 HG12 VAL 41 HG12 VAL 41 2.892 3.581 -1.020 331 HG13 VAL 41 HG13 VAL 41 2.676 3.586 0.730 332 HG21 VAL 41 HG21 VAL 41 0.364 3.824 -1.742 333 HG22 VAL 41 HG22 VAL 41 -0.641 4.516 -0.471 334 HG23 VAL 41 HG23 VAL 41 0.394 3.135 -0.120 335 H ARG 42 HN ARG 42 1.497 8.084 0.099 336 HA ARG 42 HA ARG 42 4.243 8.492 0.752 337 HB2 ARG 42 HB2 ARG 42 1.970 10.440 0.278 338 HB3 ARG 42 HB1 ARG 42 3.640 10.954 0.501 339 HG2 ARG 42 HG2 ARG 42 4.329 9.588 -1.434 340 HG3 ARG 42 HG1 ARG 42 2.664 9.047 -1.650 341 HD2 ARG 42 HD2 ARG 42 3.513 11.961 -1.737 342 HD3 ARG 42 HD1 ARG 42 3.317 10.950 -3.170 343 HE ARG 42 HE ARG 42 0.917 10.758 -1.680 344 HH11 ARG 42 HH21 ARG 42 2.809 13.113 -3.364 345 HH12 ARG 42 HH22 ARG 42 1.440 14.072 -3.817 346 HH21 ARG 42 HH11 ARG 42 -0.867 12.002 -2.267 347 HH22 ARG 42 HH12 ARG 42 -0.638 13.445 -3.198 348 H LEU 43 HN LEU 43 1.274 9.431 2.510 349 HA LEU 43 HA LEU 43 2.641 10.746 4.675 350 HB2 LEU 43 HB2 LEU 43 -0.053 9.361 4.760 351 HB3 LEU 43 HB1 LEU 43 0.513 10.642 5.830 352 HG LEU 43 HG LEU 43 0.104 10.917 2.838 353 HD11 LEU 43 HD11 LEU 43 -1.972 10.682 4.301 354 HD12 LEU 43 HD12 LEU 43 -1.871 12.166 3.354 355 HD13 LEU 43 HD13 LEU 43 -1.488 12.192 5.075 356 HD21 LEU 43 HD21 LEU 43 1.106 12.775 5.001 357 HD22 LEU 43 HD22 LEU 43 0.304 13.423 3.570 358 HD23 LEU 43 HD23 LEU 43 1.780 12.479 3.397 359 H GLY 44 HN GLY 44 1.519 7.430 4.180 360 HA2 GLY 44 HA2 GLY 44 2.487 6.604 6.830 361 HA3 GLY 44 HA1 GLY 44 1.670 5.588 5.663 362 HA PRO 45 HA PRO 45 6.632 5.823 4.973 363 HB2 PRO 45 HB2 PRO 45 6.843 4.192 7.489 364 HB3 PRO 45 HB1 PRO 45 7.997 5.354 6.801 365 HG2 PRO 45 HG2 PRO 45 6.470 5.988 8.894 366 HG3 PRO 45 HG1 PRO 45 6.864 7.179 7.640 367 HD2 PRO 45 HD2 PRO 45 4.276 5.765 8.143 368 HD3 PRO 45 HD1 PRO 45 4.571 7.375 7.445 369 H LEU 46 HN LEU 46 4.034 3.784 5.485 370 HA LEU 46 HA LEU 46 5.106 1.173 5.139 371 HB2 LEU 46 HB2 LEU 46 2.470 2.150 4.005 372 HB3 LEU 46 HB1 LEU 46 2.871 0.523 4.552 373 HG LEU 46 HG LEU 46 2.734 2.968 6.348 374 HD11 LEU 46 HD11 LEU 46 0.690 1.904 7.238 375 HD12 LEU 46 HD12 LEU 46 0.817 0.652 6.000 376 HD13 LEU 46 HD13 LEU 46 0.518 2.326 5.534 377 HD21 LEU 46 HD21 LEU 46 3.307 0.039 6.821 378 HD22 LEU 46 HD22 LEU 46 2.732 1.091 8.114 379 HD23 LEU 46 HD23 LEU 46 4.267 1.432 7.318 380 H SER 47 HN SER 47 5.473 3.780 3.153 381 HA SER 47 HA SER 47 4.890 2.923 0.545 382 HB2 SER 47 HB2 SER 47 5.688 5.166 0.959 383 HB3 SER 47 HB1 SER 47 7.226 4.556 1.562 384 HG SER 47 HG SER 47 7.791 4.794 -0.458 385 H ASN 48 HN ASN 48 5.773 1.505 -0.860 386 HA ASN 48 HA ASN 48 7.015 -0.329 -1.606 387 HB2 ASN 48 HB2 ASN 48 9.196 1.234 -0.189 388 HB3 ASN 48 HB1 ASN 48 9.489 -0.161 -1.226 389 HD21 ASN 48 HD21 ASN 48 10.341 2.651 -1.729 390 HD22 ASN 48 HD22 ASN 48 9.618 3.103 -3.197 391 H LYS 49 HN LYS 49 6.189 0.067 1.523 392 HA LYS 49 HA LYS 49 7.820 -2.100 2.659 393 HB2 LYS 49 HB2 LYS 49 6.899 -0.020 3.915 394 HB3 LYS 49 HB1 LYS 49 5.370 -0.897 3.957 395 HG2 LYS 49 HG2 LYS 49 6.421 -2.766 5.116 396 HG3 LYS 49 HG1 LYS 49 8.008 -2.009 4.973 397 HD2 LYS 49 HD2 LYS 49 7.224 -0.109 6.342 398 HD3 LYS 49 HD1 LYS 49 5.645 -0.881 6.501 399 HE2 LYS 49 HE2 LYS 49 6.702 -2.823 7.596 400 HE3 LYS 49 HE1 LYS 49 8.281 -2.054 7.438 401 HZ1 LYS 49 HZ1 LYS 49 7.883 -0.732 9.168 402 HZ2 LYS 49 HZ2 LYS 49 6.600 -1.780 9.543 403 HZ3 LYS 49 HZ3 LYS 49 6.310 -0.361 8.655 404 H ILE 50 HN ILE 50 7.201 -4.199 2.831 405 HA ILE 50 HA ILE 50 4.703 -5.015 1.473 406 HB ILE 50 HB ILE 50 7.045 -6.576 2.602 407 HG12 ILE 50 HG12 ILE 50 6.165 -6.137 -0.264 408 HG13 ILE 50 HG11 ILE 50 7.372 -5.134 0.541 409 HG21 ILE 50 HG21 ILE 50 5.980 -8.455 1.236 410 HG22 ILE 50 HG22 ILE 50 4.522 -7.464 1.188 411 HG23 ILE 50 HG23 ILE 50 5.153 -8.029 2.734 412 HD11 ILE 50 HD11 ILE 50 8.688 -7.219 1.023 413 HD12 ILE 50 HD12 ILE 50 8.529 -6.864 -0.697 414 HD13 ILE 50 HD13 ILE 50 7.532 -8.118 0.040 415 H LEU 51 HN LEU 51 2.893 -5.156 2.675 416 HA LEU 51 HA LEU 51 3.112 -5.829 5.588 417 HB2 LEU 51 HB2 LEU 51 1.169 -4.200 3.960 418 HB3 LEU 51 HB1 LEU 51 0.618 -4.941 5.462 419 HG LEU 51 HG LEU 51 2.516 -3.845 6.656 420 HD11 LEU 51 HD11 LEU 51 3.538 -1.864 5.311 421 HD12 LEU 51 HD12 LEU 51 3.029 -2.768 3.885 422 HD13 LEU 51 HD13 LEU 51 4.170 -3.483 5.023 423 HD21 LEU 51 HD21 LEU 51 1.582 -1.515 6.470 424 HD22 LEU 51 HD22 LEU 51 0.351 -2.758 6.688 425 HD23 LEU 51 HD23 LEU 51 0.627 -2.061 5.091 426 H GLN 52 HN GLN 52 1.730 -7.424 6.456 427 HA GLN 52 HA GLN 52 1.104 -9.590 4.607 428 HB2 GLN 52 HB2 GLN 52 0.706 -9.225 7.590 429 HB3 GLN 52 HB1 GLN 52 0.309 -10.714 6.728 430 HG2 GLN 52 HG2 GLN 52 2.617 -10.947 5.984 431 HG3 GLN 52 HG1 GLN 52 3.042 -9.401 6.714 432 HE21 GLN 52 HE21 GLN 52 4.026 -12.216 7.333 433 HE22 GLN 52 HE22 GLN 52 3.755 -12.409 8.997 434 H THR 53 HN THR 53 -0.656 -9.192 3.313 435 HA THR 53 HA THR 53 -3.002 -7.772 4.352 436 HB THR 53 HB THR 53 -3.798 -7.815 2.120 437 HG1 THR 53 HG1 THR 53 -3.588 -9.543 0.971 438 HG21 THR 53 HG21 THR 53 -0.826 -7.971 1.642 439 HG22 THR 53 HG22 THR 53 -1.522 -6.638 2.561 440 HG23 THR 53 HG23 THR 53 -2.008 -6.902 0.888 441 H ASN 54 HN ASN 54 -5.177 -8.725 4.196 442 HA ASN 54 HA ASN 54 -5.352 -11.678 4.208 443 HB2 ASN 54 HB2 ASN 54 -5.857 -9.907 6.599 444 HB3 ASN 54 HB1 ASN 54 -6.756 -11.413 6.407 445 HD21 ASN 54 HD21 ASN 54 -3.466 -10.084 6.784 446 HD22 ASN 54 HD22 ASN 54 -2.750 -11.545 7.268 447 H THR 55 HN THR 55 -6.565 -11.282 2.290 448 HA THR 55 HA THR 55 -8.942 -9.578 2.407 449 HB THR 55 HB THR 55 -8.143 -11.521 0.232 450 HG1 THR 55 HG1 THR 55 -6.968 -9.848 -0.612 451 HG21 THR 55 HG21 THR 55 -9.691 -8.923 0.078 452 HG22 THR 55 HG22 THR 55 -10.469 -10.498 0.249 453 HG23 THR 55 HG23 THR 55 -9.506 -10.141 -1.184 454 H TYR 56 HN TYR 56 -10.972 -10.233 2.871 455 HA TYR 56 HA TYR 56 -11.450 -13.164 3.293 456 HB2 TYR 56 HB2 TYR 56 -12.978 -10.766 4.353 457 HB3 TYR 56 HB1 TYR 56 -13.260 -12.455 4.772 458 HD1 TYR 56 HD1 TYR 56 -10.897 -9.629 5.053 459 HD2 TYR 56 HD2 TYR 56 -11.812 -13.635 6.305 460 HE1 TYR 56 HE1 TYR 56 -9.170 -9.468 6.823 461 HE2 TYR 56 HE2 TYR 56 -10.085 -13.472 8.079 462 HH TYR 56 HH TYR 56 -8.381 -12.256 8.877 463 H TYR 57 HN TYR 57 -13.133 -14.139 2.128 464 HA TYR 57 HA TYR 57 -15.029 -12.419 0.645 465 HB2 TYR 57 HB2 TYR 57 -14.517 -13.402 -1.520 466 HB3 TYR 57 HB1 TYR 57 -13.060 -12.660 -0.863 467 HD1 TYR 57 HD2 TYR 57 -11.204 -14.032 -0.032 468 HD2 TYR 57 HD1 TYR 57 -14.745 -15.825 -1.676 469 HE1 TYR 57 HE2 TYR 57 -10.016 -16.201 -0.228 470 HE2 TYR 57 HE1 TYR 57 -13.556 -17.993 -1.874 471 HH TYR 57 HH TYR 57 -10.208 -18.280 -1.618 472 H SER 58 HN SER 58 -16.968 -13.441 0.281 473 HA SER 58 HA SER 58 -17.147 -16.380 0.806 474 HB2 SER 58 HB2 SER 58 -17.777 -15.207 2.888 475 HB3 SER 58 HB1 SER 58 -18.962 -14.260 2.002 476 HG SER 58 HG SER 58 -18.919 -17.041 2.517 477 H ASP 59 HN ASP 59 -19.523 -17.062 0.223 478 HA ASP 59 HA ASP 59 -19.938 -16.610 -2.542 479 HB2 ASP 59 HB2 ASP 59 -21.833 -17.537 -0.369 480 HB3 ASP 59 HB1 ASP 59 -22.208 -17.613 -2.090 481 H THR 60 HN THR 60 -21.996 -15.414 0.144 482 HA THR 60 HA THR 60 -23.442 -13.588 -1.571 483 HB THR 60 HB THR 60 -24.380 -14.538 0.527 484 HG1 THR 60 HG1 THR 60 -24.470 -12.020 -0.305 485 HG21 THR 60 HG21 THR 60 -22.200 -14.359 1.791 486 HG22 THR 60 HG22 THR 60 -23.613 -13.790 2.680 487 HG23 THR 60 HG23 THR 60 -22.508 -12.630 1.944 488 H LEU 61 HN LEU 61 -20.718 -13.224 0.672 489 HA LEU 61 HA LEU 61 -20.621 -10.379 0.624 490 HB2 LEU 61 HB2 LEU 61 -19.361 -11.817 2.232 491 HB3 LEU 61 HB1 LEU 61 -18.304 -12.311 0.912 492 HG LEU 61 HG LEU 61 -17.647 -9.942 0.563 493 HD11 LEU 61 HD11 LEU 61 -19.661 -9.528 2.757 494 HD12 LEU 61 HD12 LEU 61 -19.370 -8.570 1.307 495 HD13 LEU 61 HD13 LEU 61 -18.266 -8.451 2.670 496 HD21 LEU 61 HD21 LEU 61 -17.259 -10.596 3.485 497 HD22 LEU 61 HD22 LEU 61 -16.112 -9.879 2.355 498 HD23 LEU 61 HD23 LEU 61 -16.515 -11.588 2.234 499 H HIS 62 HN HIS 62 -19.064 -12.814 -1.437 500 HA HIS 62 HA HIS 62 -17.557 -10.961 -3.020 501 HB2 HIS 62 HB2 HIS 62 -17.118 -13.401 -2.959 502 HB3 HIS 62 HB1 HIS 62 -18.651 -13.686 -3.785 503 HD1 HIS 62 HD1 HIS 62 -15.177 -12.398 -4.346 504 HD2 HIS 62 HD2 HIS 62 -18.680 -12.951 -6.539 505 HE1 HIS 62 HE1 HIS 62 -14.558 -12.070 -6.781 506 H LYS 63 HN LYS 63 -20.807 -12.331 -3.360 507 HA LYS 63 HA LYS 63 -21.409 -11.287 -5.939 508 HB2 LYS 63 HB2 LYS 63 -22.766 -12.994 -4.712 509 HB3 LYS 63 HB1 LYS 63 -23.317 -11.721 -3.622 510 HG2 LYS 63 HG2 LYS 63 -24.316 -10.505 -5.496 511 HG3 LYS 63 HG1 LYS 63 -23.712 -11.715 -6.629 512 HD2 LYS 63 HD2 LYS 63 -25.065 -13.448 -5.492 513 HD3 LYS 63 HD1 LYS 63 -25.682 -12.227 -4.378 514 HE2 LYS 63 HE2 LYS 63 -26.671 -10.989 -6.258 515 HE3 LYS 63 HE1 LYS 63 -26.028 -12.177 -7.391 516 HZ1 LYS 63 HZ1 LYS 63 -27.424 -13.540 -5.388 517 HZ2 LYS 63 HZ2 LYS 63 -27.805 -13.421 -7.039 518 HZ3 LYS 63 HZ3 LYS 63 -28.419 -12.282 -5.938 519 H SER 64 HN SER 64 -21.781 -9.871 -2.696 520 HA SER 64 HA SER 64 -23.158 -7.505 -3.522 521 HB2 SER 64 HB2 SER 64 -21.294 -7.952 -1.173 522 HB3 SER 64 HB1 SER 64 -22.370 -6.570 -1.360 523 HG SER 64 HG SER 64 -24.055 -8.288 -1.614 524 H ASN 65 HN ASN 65 -20.201 -8.533 -4.494 525 HA ASN 65 HA ASN 65 -18.384 -7.498 -5.532 526 HB2 ASN 65 HB2 ASN 65 -20.112 -5.002 -5.516 527 HB3 ASN 65 HB1 ASN 65 -18.746 -5.346 -6.574 528 HD21 ASN 65 HD21 ASN 65 -21.991 -5.201 -6.763 529 HD22 ASN 65 HD22 ASN 65 -22.299 -6.461 -7.858 530 H ILE 66 HN ILE 66 -18.540 -7.545 -2.631 531 HA ILE 66 HA ILE 66 -16.998 -5.053 -1.949 532 HB ILE 66 HB ILE 66 -18.432 -6.942 -0.062 533 HG12 ILE 66 HG12 ILE 66 -20.105 -5.840 -1.423 534 HG13 ILE 66 HG11 ILE 66 -20.080 -5.053 0.153 535 HG21 ILE 66 HG21 ILE 66 -16.516 -5.645 0.874 536 HG22 ILE 66 HG22 ILE 66 -18.060 -5.181 1.587 537 HG23 ILE 66 HG23 ILE 66 -17.311 -4.158 0.361 538 HD11 ILE 66 HD11 ILE 66 -18.379 -3.406 -0.963 539 HD12 ILE 66 HD12 ILE 66 -20.091 -3.237 -1.336 540 HD13 ILE 66 HD13 ILE 66 -19.022 -4.039 -2.476 541 H TYR 67 HN TYR 67 -14.903 -5.340 -1.448 542 HA TYR 67 HA TYR 67 -13.930 -8.119 -0.852 543 HB2 TYR 67 HB2 TYR 67 -12.452 -5.962 -2.364 544 HB3 TYR 67 HB1 TYR 67 -11.937 -7.629 -2.119 545 HD1 TYR 67 HD1 TYR 67 -13.561 -9.490 -2.944 546 HD2 TYR 67 HD2 TYR 67 -13.726 -5.407 -4.270 547 HE1 TYR 67 HE1 TYR 67 -14.832 -10.194 -4.952 548 HE2 TYR 67 HE2 TYR 67 -14.996 -6.113 -6.281 549 HH TYR 67 HH TYR 67 -16.199 -9.380 -6.642 550 HA PRO 68 HA PRO 68 -12.581 -5.339 2.569 551 HB2 PRO 68 HB2 PRO 68 -13.305 -6.900 4.653 552 HB3 PRO 68 HB1 PRO 68 -14.477 -5.888 3.784 553 HG2 PRO 68 HG2 PRO 68 -14.009 -8.822 3.597 554 HG3 PRO 68 HG1 PRO 68 -15.525 -7.913 3.493 555 HD2 PRO 68 HD2 PRO 68 -14.070 -8.889 1.298 556 HD3 PRO 68 HD1 PRO 68 -15.318 -7.627 1.214 557 H PHE 69 HN PHE 69 -10.597 -5.394 3.622 558 HA PHE 69 HA PHE 69 -9.255 -7.985 4.050 559 HB2 PHE 69 HB2 PHE 69 -7.265 -7.375 2.765 560 HB3 PHE 69 HB1 PHE 69 -8.674 -7.374 1.707 561 HD1 PHE 69 HD2 PHE 69 -9.629 -5.286 0.868 562 HD2 PHE 69 HD1 PHE 69 -6.160 -5.292 3.402 563 HE1 PHE 69 HE2 PHE 69 -9.171 -2.929 0.248 564 HE2 PHE 69 HE1 PHE 69 -5.702 -2.935 2.778 565 HZ PHE 69 HZ PHE 69 -7.206 -1.754 1.201 566 H ILE 70 HN ILE 70 -7.323 -7.763 5.355 567 HA ILE 70 HA ILE 70 -7.153 -5.170 6.854 568 HB ILE 70 HB ILE 70 -7.077 -7.977 8.003 569 HG12 ILE 70 HG12 ILE 70 -9.062 -5.737 8.478 570 HG13 ILE 70 HG11 ILE 70 -9.334 -7.040 7.325 571 HG21 ILE 70 HG21 ILE 70 -6.587 -5.228 9.169 572 HG22 ILE 70 HG22 ILE 70 -5.580 -6.669 9.300 573 HG23 ILE 70 HG23 ILE 70 -7.103 -6.577 10.181 574 HD11 ILE 70 HD11 ILE 70 -10.293 -7.316 9.724 575 HD12 ILE 70 HD12 ILE 70 -8.628 -7.647 10.194 576 HD13 ILE 70 HD13 ILE 70 -9.432 -8.679 9.014 577 H LEU 71 HN LEU 71 -5.092 -4.603 7.550 578 HA LEU 71 HA LEU 71 -2.838 -6.172 6.347 579 HB2 LEU 71 HB2 LEU 71 -2.892 -3.276 7.253 580 HB3 LEU 71 HB1 LEU 71 -1.616 -4.073 6.330 581 HG LEU 71 HG LEU 71 -4.465 -3.583 5.413 582 HD11 LEU 71 HD11 LEU 71 -2.730 -1.669 5.443 583 HD12 LEU 71 HD12 LEU 71 -3.571 -1.979 3.925 584 HD13 LEU 71 HD13 LEU 71 -1.921 -2.558 4.153 585 HD21 LEU 71 HD21 LEU 71 -2.204 -5.210 4.263 586 HD22 LEU 71 HD22 LEU 71 -3.371 -4.445 3.188 587 HD23 LEU 71 HD23 LEU 71 -3.915 -5.615 4.381 588 H TYR 72 HN TYR 72 -1.268 -6.968 7.658 589 HA TYR 72 HA TYR 72 -1.378 -6.267 10.573 590 HB2 TYR 72 HB2 TYR 72 -0.929 -8.944 9.247 591 HB3 TYR 72 HB1 TYR 72 -0.622 -8.635 10.956 592 HD1 TYR 72 HD2 TYR 72 -2.495 -7.955 12.462 593 HD2 TYR 72 HD1 TYR 72 -3.157 -9.190 8.405 594 HE1 TYR 72 HE2 TYR 72 -4.898 -8.310 12.963 595 HE2 TYR 72 HE1 TYR 72 -5.559 -9.549 8.904 596 HH TYR 72 HH TYR 72 -6.782 -9.595 12.093 597 H TYR 73 HN TYR 73 0.529 -5.835 11.553 598 HA TYR 73 HA TYR 73 3.073 -6.580 10.266 599 HB2 TYR 73 HB2 TYR 73 2.527 -4.394 9.232 600 HB3 TYR 73 HB1 TYR 73 2.383 -3.685 10.840 601 HD1 TYR 73 HD2 TYR 73 4.757 -5.573 8.657 602 HD2 TYR 73 HD1 TYR 73 4.298 -2.841 11.941 603 HE1 TYR 73 HE2 TYR 73 7.214 -5.244 8.728 604 HE2 TYR 73 HE1 TYR 73 6.756 -2.514 12.011 605 HH TYR 73 HH TYR 73 8.824 -3.969 11.273 606 H GLN 74 HN GLN 74 4.178 -7.443 11.907 607 HA GLN 74 HA GLN 74 5.017 -7.852 14.040 608 HB2 GLN 74 HB2 GLN 74 4.628 -4.851 14.230 609 HB3 GLN 74 HB1 GLN 74 5.480 -5.818 15.436 610 HG2 GLN 74 HG2 GLN 74 7.055 -6.602 13.723 611 HG3 GLN 74 HG1 GLN 74 6.195 -5.676 12.493 612 HE21 GLN 74 HE21 GLN 74 9.039 -5.396 13.612 613 HE22 GLN 74 HE22 GLN 74 9.145 -3.767 14.077 614 H LYS 75 HN LYS 75 2.739 -8.909 14.114 615 HA LYS 75 HA LYS 75 0.701 -9.294 15.230 616 HB2 LYS 75 HB2 LYS 75 2.626 -8.563 17.451 617 HB3 LYS 75 HB1 LYS 75 1.043 -9.295 17.727 618 HG2 LYS 75 HG2 LYS 75 1.681 -11.198 16.274 619 HG3 LYS 75 HG1 LYS 75 3.278 -10.483 16.055 620 HD2 LYS 75 HD2 LYS 75 2.089 -11.285 18.729 621 HD3 LYS 75 HD1 LYS 75 3.260 -12.238 17.822 622 HE2 LYS 75 HE2 LYS 75 4.749 -11.088 19.158 623 HE3 LYS 75 HE1 LYS 75 4.590 -9.868 17.895 624 HZ1 LYS 75 HZ1 LYS 75 4.085 -8.618 19.700 625 HZ2 LYS 75 HZ2 LYS 75 3.466 -9.924 20.592 626 HZ3 LYS 75 HZ3 LYS 75 2.527 -9.205 19.372 627 H GLN 76 HN GLN 76 0.685 -6.725 14.119 628 HA GLN 76 HA GLN 76 -1.264 -5.446 15.875 629 HB2 GLN 76 HB2 GLN 76 0.822 -4.509 16.782 630 HB3 GLN 76 HB1 GLN 76 1.295 -3.979 15.165 631 HG2 GLN 76 HG2 GLN 76 -0.589 -2.473 15.034 632 HG3 GLN 76 HG1 GLN 76 -1.265 -3.112 16.533 633 HE21 GLN 76 HE21 GLN 76 -0.653 -0.331 16.250 634 HE22 GLN 76 HE22 GLN 76 0.635 0.042 17.290 635 H LEU 77 HN LEU 77 -2.832 -4.740 14.569 636 HA LEU 77 HA LEU 77 -2.700 -4.854 11.755 637 HB2 LEU 77 HB2 LEU 77 -4.858 -3.870 11.723 638 HB3 LEU 77 HB1 LEU 77 -4.786 -4.887 13.154 639 HG LEU 77 HG LEU 77 -4.088 -1.952 13.421 640 HD11 LEU 77 HD11 LEU 77 -6.414 -1.399 13.802 641 HD12 LEU 77 HD12 LEU 77 -6.892 -3.061 13.450 642 HD13 LEU 77 HD13 LEU 77 -6.215 -2.049 12.170 643 HD21 LEU 77 HD21 LEU 77 -5.369 -4.010 15.239 644 HD22 LEU 77 HD22 LEU 77 -5.074 -2.328 15.671 645 HD23 LEU 77 HD23 LEU 77 -3.717 -3.404 15.351 646 H ILE 78 HN ILE 78 -3.037 -3.005 10.243 647 HA ILE 78 HA ILE 78 -1.576 -0.530 11.106 648 HB ILE 78 HB ILE 78 -1.306 -2.049 8.498 649 HG12 ILE 78 HG12 ILE 78 -0.042 -3.048 10.351 650 HG13 ILE 78 HG11 ILE 78 1.051 -2.305 9.191 651 HG21 ILE 78 HG21 ILE 78 -1.176 0.224 7.888 652 HG22 ILE 78 HG22 ILE 78 0.506 -0.249 8.125 653 HG23 ILE 78 HG23 ILE 78 -0.334 0.668 9.374 654 HD11 ILE 78 HD11 ILE 78 0.430 -1.497 11.996 655 HD12 ILE 78 HD12 ILE 78 0.745 -0.197 10.855 656 HD13 ILE 78 HD13 ILE 78 1.957 -1.438 11.130 657 H ALA 79 HN ALA 79 -3.882 -1.987 8.804 658 HA ALA 79 HA ALA 79 -5.517 0.425 8.962 659 HB1 ALA 79 HB1 ALA 79 -4.428 -0.286 6.234 660 HB2 ALA 79 HB2 ALA 79 -3.673 0.937 7.256 661 HB3 ALA 79 HB3 ALA 79 -5.335 1.148 6.704 662 H ILE 80 HN ILE 80 -7.595 0.128 7.963 663 HA ILE 80 HA ILE 80 -8.171 -2.647 6.985 664 HB ILE 80 HB ILE 80 -9.815 -1.057 8.982 665 HG12 ILE 80 HG12 ILE 80 -8.344 -3.689 9.303 666 HG13 ILE 80 HG11 ILE 80 -7.707 -2.140 9.847 667 HG21 ILE 80 HG21 ILE 80 -10.228 -3.708 7.577 668 HG22 ILE 80 HG22 ILE 80 -11.294 -2.304 7.558 669 HG23 ILE 80 HG23 ILE 80 -11.115 -3.254 9.032 670 HD11 ILE 80 HD11 ILE 80 -8.781 -3.205 11.734 671 HD12 ILE 80 HD12 ILE 80 -10.243 -3.499 10.793 672 HD13 ILE 80 HD13 ILE 80 -9.792 -1.852 11.229 673 H GLY 81 HN GLY 81 -9.637 -2.710 5.258 674 HA2 GLY 81 HA2 GLY 81 -11.417 -0.495 4.687 675 HA3 GLY 81 HA1 GLY 81 -9.992 -0.436 3.651 676 H PHE 82 HN PHE 82 -12.166 -0.738 2.225 677 HA PHE 82 HA PHE 82 -12.021 -3.539 1.290 678 HB2 PHE 82 HB2 PHE 82 -14.453 -3.832 1.243 679 HB3 PHE 82 HB1 PHE 82 -13.940 -3.505 2.896 680 HD1 PHE 82 HD2 PHE 82 -14.351 -1.321 3.940 681 HD2 PHE 82 HD1 PHE 82 -15.777 -2.221 -0.011 682 HE1 PHE 82 HE2 PHE 82 -15.889 0.618 4.055 683 HE2 PHE 82 HE1 PHE 82 -17.319 -0.280 0.105 684 HZ PHE 82 HZ PHE 82 -17.375 1.138 2.139 685 H ILE 83 HN ILE 83 -12.932 -3.769 -0.898 686 HA ILE 83 HA ILE 83 -12.946 -1.149 -2.369 687 HB ILE 83 HB ILE 83 -12.035 -3.883 -3.296 688 HG12 ILE 83 HG12 ILE 83 -10.470 -1.320 -2.908 689 HG13 ILE 83 HG11 ILE 83 -10.541 -2.606 -1.702 690 HG21 ILE 83 HG21 ILE 83 -13.011 -2.752 -5.160 691 HG22 ILE 83 HG22 ILE 83 -11.270 -2.510 -5.300 692 HG23 ILE 83 HG23 ILE 83 -12.294 -1.212 -4.686 693 HD11 ILE 83 HD11 ILE 83 -8.540 -2.682 -3.273 694 HD12 ILE 83 HD12 ILE 83 -9.675 -3.094 -4.559 695 HD13 ILE 83 HD13 ILE 83 -9.485 -4.167 -3.173 696 H ASP 84 HN ASP 84 -14.783 -0.668 -3.422 697 HA ASP 84 HA ASP 84 -16.822 -2.834 -3.820 698 HB2 ASP 84 HB2 ASP 84 -17.357 -0.882 -2.284 699 HB3 ASP 84 HB1 ASP 84 -17.294 0.153 -3.710 700 H GLU 85 HN GLU 85 -18.463 -1.728 -5.632 701 HA GLU 85 HA GLU 85 -17.421 -2.262 -8.112 702 HB2 GLU 85 HB2 GLU 85 -19.265 -0.952 -9.052 703 HB3 GLU 85 HB1 GLU 85 -19.815 -1.885 -7.662 704 HG2 GLU 85 HG2 GLU 85 -19.518 0.137 -6.230 705 HG3 GLU 85 HG1 GLU 85 -19.084 1.059 -7.670 706 H ASN 86 HN ASN 86 -16.723 -0.962 -9.855 707 HA ASN 86 HA ASN 86 -15.416 0.683 -10.880 708 HB2 ASN 86 HB2 ASN 86 -17.218 2.185 -9.744 709 HB3 ASN 86 HB1 ASN 86 -15.972 2.519 -8.541 710 HD21 ASN 86 HD21 ASN 86 -17.057 3.276 -11.753 711 HD22 ASN 86 HD22 ASN 86 -15.763 4.291 -12.174 712 H HIS 87 HN HIS 87 -14.686 -1.075 -8.398 713 HA HIS 87 HA HIS 87 -12.792 -1.496 -7.103 714 HB2 HIS 87 HB2 HIS 87 -11.852 -1.731 -9.378 715 HB3 HIS 87 HB1 HIS 87 -11.452 -0.014 -9.382 716 HD1 HIS 87 HD1 HIS 87 -10.599 -3.222 -7.531 717 HD2 HIS 87 HD2 HIS 87 -9.067 0.619 -8.069 718 HE1 HIS 87 HE1 HIS 87 -8.303 -3.209 -6.460 719 H ASP 88 HN ASP 88 -14.208 0.688 -6.183 720 HA ASP 88 HA ASP 88 -12.365 2.937 -5.749 721 HB2 ASP 88 HB2 ASP 88 -15.171 2.297 -4.817 722 HB3 ASP 88 HB1 ASP 88 -14.287 3.706 -4.230 723 H MET 89 HN MET 89 -10.889 2.948 -4.155 724 HA MET 89 HA MET 89 -10.898 0.857 -2.106 725 HB2 MET 89 HB2 MET 89 -8.838 1.791 -3.282 726 HB3 MET 89 HB1 MET 89 -9.057 3.249 -2.318 727 HG2 MET 89 HG2 MET 89 -7.505 1.886 -1.111 728 HG3 MET 89 HG1 MET 89 -9.042 1.752 -0.263 729 HE1 MET 89 HE1 MET 89 -6.777 -1.215 -2.799 730 HE2 MET 89 HE2 MET 89 -6.768 0.545 -2.862 731 HE3 MET 89 HE3 MET 89 -7.991 -0.355 -3.754 732 H ASP 90 HN ASP 90 -12.042 1.089 -0.258 733 HA ASP 90 HA ASP 90 -12.678 3.839 0.744 734 HB2 ASP 90 HB2 ASP 90 -13.990 1.146 1.182 735 HB3 ASP 90 HB1 ASP 90 -14.437 2.600 2.076 736 H PHE 91 HN PHE 91 -12.038 4.439 2.793 737 HA PHE 91 HA PHE 91 -10.206 2.563 4.223 738 HB2 PHE 91 HB2 PHE 91 -10.549 5.567 4.236 739 HB3 PHE 91 HB1 PHE 91 -9.611 4.733 5.478 740 HD1 PHE 91 HD2 PHE 91 -9.830 5.536 1.883 741 HD2 PHE 91 HD1 PHE 91 -7.512 3.652 4.966 742 HE1 PHE 91 HE2 PHE 91 -7.899 5.377 0.334 743 HE2 PHE 91 HE1 PHE 91 -5.584 3.491 3.422 744 HZ PHE 91 HZ PHE 91 -5.774 4.352 1.104 745 H LEU 92 HN LEU 92 -10.879 1.630 6.047 746 HA LEU 92 HA LEU 92 -13.386 2.588 7.343 747 HB2 LEU 92 HB2 LEU 92 -13.192 0.175 6.761 748 HB3 LEU 92 HB1 LEU 92 -11.756 0.059 7.777 749 HG LEU 92 HG LEU 92 -13.111 0.751 9.747 750 HD11 LEU 92 HD11 LEU 92 -14.908 2.014 8.994 751 HD12 LEU 92 HD12 LEU 92 -15.701 0.469 9.273 752 HD13 LEU 92 HD13 LEU 92 -15.245 0.941 7.637 753 HD21 LEU 92 HD21 LEU 92 -14.472 -1.357 9.873 754 HD22 LEU 92 HD22 LEU 92 -12.804 -1.614 9.361 755 HD23 LEU 92 HD23 LEU 92 -14.106 -1.635 8.170 756 H TYR 93 HN TYR 93 -10.228 1.306 8.353 757 HA TYR 93 HA TYR 93 -10.066 3.383 10.499 758 HB2 TYR 93 HB2 TYR 93 -10.958 1.208 11.395 759 HB3 TYR 93 HB1 TYR 93 -9.488 0.423 10.828 760 HD1 TYR 93 HD1 TYR 93 -10.732 3.146 13.057 761 HD2 TYR 93 HD2 TYR 93 -7.525 0.436 12.151 762 HE1 TYR 93 HE1 TYR 93 -9.603 3.774 15.171 763 HE2 TYR 93 HE2 TYR 93 -6.397 1.063 14.268 764 HH TYR 93 HH TYR 93 -7.961 2.822 16.730 765 H LEU 94 HN LEU 94 -8.059 4.359 10.363 766 HA LEU 94 HA LEU 94 -5.865 2.832 8.987 767 HB2 LEU 94 HB2 LEU 94 -6.590 4.726 7.639 768 HB3 LEU 94 HB1 LEU 94 -6.418 5.812 9.016 769 HG LEU 94 HG LEU 94 -4.002 5.440 9.065 770 HD11 LEU 94 HD11 LEU 94 -3.656 3.202 8.422 771 HD12 LEU 94 HD12 LEU 94 -3.062 4.096 7.026 772 HD13 LEU 94 HD13 LEU 94 -4.663 3.360 6.984 773 HD21 LEU 94 HD21 LEU 94 -3.427 6.589 7.057 774 HD22 LEU 94 HD22 LEU 94 -5.076 7.089 7.430 775 HD23 LEU 94 HD23 LEU 94 -4.782 5.883 6.177 776 H HIS 95 HN HIS 95 -4.122 2.405 10.195 777 HA HIS 95 HA HIS 95 -3.391 4.251 12.416 778 HB2 HIS 95 HB2 HIS 95 -4.695 2.385 13.403 779 HB3 HIS 95 HB1 HIS 95 -3.556 1.234 12.703 780 HD1 HIS 95 HD1 HIS 95 -1.085 1.294 13.630 781 HD2 HIS 95 HD2 HIS 95 -3.776 3.700 15.715 782 HE1 HIS 95 HE1 HIS 95 0.062 1.943 15.793 783 H ASN 96 HN ASN 96 -1.448 4.944 11.658 784 HA ASN 96 HA ASN 96 0.380 3.024 10.312 785 HB2 ASN 96 HB2 ASN 96 -0.047 5.228 9.263 786 HB3 ASN 96 HB1 ASN 96 0.594 6.027 10.698 787 HD21 ASN 96 HD21 ASN 96 1.495 3.980 7.924 788 HD22 ASN 96 HD22 ASN 96 3.164 4.273 8.038 789 H THR 97 HN THR 97 2.797 3.493 10.909 790 HA THR 97 HA THR 97 3.318 2.561 13.499 791 HB THR 97 HB THR 97 5.649 3.318 13.105 792 HG1 THR 97 HG1 THR 97 4.310 4.796 11.137 793 HG21 THR 97 HG21 THR 97 5.994 2.030 11.044 794 HG22 THR 97 HG22 THR 97 4.281 2.181 10.652 795 HG23 THR 97 HG23 THR 97 4.782 1.248 12.062 796 H VAL 98 HN VAL 98 2.571 3.593 15.275 797 HA VAL 98 HA VAL 98 1.979 5.368 16.718 798 HB VAL 98 HB VAL 98 4.266 4.722 17.347 799 HG11 VAL 98 HG11 VAL 98 6.159 6.230 16.542 800 HG12 VAL 98 HG12 VAL 98 5.069 6.790 15.278 801 HG13 VAL 98 HG13 VAL 98 5.529 5.091 15.357 802 HG21 VAL 98 HG21 VAL 98 4.501 6.466 18.836 803 HG22 VAL 98 HG22 VAL 98 2.937 6.944 18.185 804 HG23 VAL 98 HG23 VAL 98 4.411 7.703 17.585 805 H MET 99 HN MET 99 1.468 6.025 13.915 806 HA MET 99 HA MET 99 1.422 8.965 14.222 807 HB2 MET 99 HB2 MET 99 3.561 8.321 12.993 808 HB3 MET 99 HB1 MET 99 2.533 7.699 11.703 809 HG2 MET 99 HG2 MET 99 1.651 9.848 11.215 810 HG3 MET 99 HG1 MET 99 2.232 10.524 12.735 811 HE1 MET 99 HE1 MET 99 4.720 9.208 9.135 812 HE2 MET 99 HE2 MET 99 3.127 8.655 9.645 813 HE3 MET 99 HE3 MET 99 4.563 8.084 10.494 814 HA PRO 100 HA PRO 100 -2.205 6.745 12.137 815 HB2 PRO 100 HB2 PRO 100 -4.086 7.260 14.068 816 HB3 PRO 100 HB1 PRO 100 -3.044 5.824 14.092 817 HG2 PRO 100 HG2 PRO 100 -2.732 8.400 15.577 818 HG3 PRO 100 HG1 PRO 100 -2.530 6.734 16.159 819 HD2 PRO 100 HD2 PRO 100 -0.402 8.278 15.485 820 HD3 PRO 100 HD1 PRO 100 -0.405 6.520 15.220 821 H LEU 101 HN LEU 101 -3.689 7.845 10.881 822 HA LEU 101 HA LEU 101 -3.779 10.822 11.164 823 HB2 LEU 101 HB2 LEU 101 -4.650 9.086 8.831 824 HB3 LEU 101 HB1 LEU 101 -4.448 10.837 8.832 825 HG LEU 101 HG LEU 101 -2.220 8.831 9.290 826 HD11 LEU 101 HD11 LEU 101 -3.210 8.917 6.956 827 HD12 LEU 101 HD12 LEU 101 -1.498 9.332 7.049 828 HD13 LEU 101 HD13 LEU 101 -2.706 10.606 6.883 829 HD21 LEU 101 HD21 LEU 101 -0.855 10.992 8.801 830 HD22 LEU 101 HD22 LEU 101 -1.583 10.822 10.396 831 HD23 LEU 101 HD23 LEU 101 -2.349 11.848 9.182 832 H LEU 102 HN LEU 102 -5.877 8.055 10.320 833 HA LEU 102 HA LEU 102 -8.213 9.557 11.470 834 HB2 LEU 102 HB2 LEU 102 -8.197 7.464 9.279 835 HB3 LEU 102 HB1 LEU 102 -9.592 8.386 9.842 836 HG LEU 102 HG LEU 102 -7.098 9.570 8.587 837 HD11 LEU 102 HD11 LEU 102 -8.720 10.150 6.735 838 HD12 LEU 102 HD12 LEU 102 -9.888 9.081 7.514 839 HD13 LEU 102 HD13 LEU 102 -8.370 8.429 6.894 840 HD21 LEU 102 HD21 LEU 102 -7.908 11.276 9.970 841 HD22 LEU 102 HD22 LEU 102 -9.587 10.758 9.806 842 HD23 LEU 102 HD23 LEU 102 -8.787 11.597 8.478 843 H ASP 103 HN ASP 103 -9.292 8.617 13.079 844 HA ASP 103 HA ASP 103 -9.336 5.704 13.404 845 HB2 ASP 103 HB2 ASP 103 -8.425 5.753 15.704 846 HB3 ASP 103 HB1 ASP 103 -7.220 6.298 14.539 847 H GLN 104 HN GLN 104 -11.584 6.595 12.887 848 HA GLN 104 HA GLN 104 -12.925 7.797 15.269 849 HB2 GLN 104 HB2 GLN 104 -13.750 7.517 12.370 850 HB3 GLN 104 HB1 GLN 104 -14.856 8.060 13.636 851 HG2 GLN 104 HG2 GLN 104 -13.354 9.911 14.193 852 HG3 GLN 104 HG1 GLN 104 -12.193 9.357 12.986 853 HE21 GLN 104 HE21 GLN 104 -14.701 11.542 13.445 854 HE22 GLN 104 HE22 GLN 104 -15.141 11.786 11.824 855 H ARG 105 HN ARG 105 -13.858 6.417 16.622 856 HA ARG 105 HA ARG 105 -14.282 3.630 16.076 857 HB2 ARG 105 HB2 ARG 105 -15.445 5.422 18.233 858 HB3 ARG 105 HB1 ARG 105 -15.485 3.662 18.255 859 HG2 ARG 105 HG2 ARG 105 -12.873 5.158 18.007 860 HG3 ARG 105 HG1 ARG 105 -13.602 4.855 19.582 861 HD2 ARG 105 HD2 ARG 105 -13.654 2.413 19.035 862 HD3 ARG 105 HD1 ARG 105 -12.782 2.758 17.546 863 HE ARG 105 HE ARG 105 -11.671 2.893 20.277 864 HH11 ARG 105 HH21 ARG 105 -11.362 3.583 16.902 865 HH12 ARG 105 HH22 ARG 105 -9.639 3.730 16.966 866 HH21 ARG 105 HH11 ARG 105 -9.433 3.081 20.360 867 HH22 ARG 105 HH12 ARG 105 -8.548 3.447 18.916 868 H TYR 106 HN TYR 106 -16.410 6.457 15.981 869 HA TYR 106 HA TYR 106 -18.886 5.080 15.736 870 HB2 TYR 106 HB2 TYR 106 -18.098 7.700 14.422 871 HB3 TYR 106 HB1 TYR 106 -19.737 7.158 14.788 872 HD1 TYR 106 HD2 TYR 106 -20.458 6.883 17.179 873 HD2 TYR 106 HD1 TYR 106 -16.698 8.660 16.105 874 HE1 TYR 106 HE2 TYR 106 -20.258 7.839 19.458 875 HE2 TYR 106 HE1 TYR 106 -16.495 9.616 18.381 876 HH TYR 106 HH TYR 106 -19.049 9.093 20.825 877 H LEU 107 HN LEU 107 -16.566 6.160 13.263 878 HA LEU 107 HA LEU 107 -18.074 5.237 11.012 879 HB2 LEU 107 HB2 LEU 107 -16.191 6.818 10.796 880 HB3 LEU 107 HB1 LEU 107 -15.073 5.570 11.339 881 HG LEU 107 HG LEU 107 -15.634 4.194 9.375 882 HD11 LEU 107 HD11 LEU 107 -17.631 6.395 8.912 883 HD12 LEU 107 HD12 LEU 107 -17.840 4.650 8.774 884 HD13 LEU 107 HD13 LEU 107 -16.961 5.530 7.529 885 HD21 LEU 107 HD21 LEU 107 -13.767 5.675 9.091 886 HD22 LEU 107 HD22 LEU 107 -14.826 7.060 8.826 887 HD23 LEU 107 HD23 LEU 107 -14.724 5.783 7.613 888 H LEU 108 HN LEU 108 -15.612 3.694 13.053 889 HA LEU 108 HA LEU 108 -15.288 1.326 11.516 890 HB2 LEU 108 HB2 LEU 108 -14.034 2.265 13.663 891 HB3 LEU 108 HB1 LEU 108 -15.174 1.239 14.529 892 HG LEU 108 HG LEU 108 -13.281 0.340 12.339 893 HD11 LEU 108 HD11 LEU 108 -13.277 -0.389 15.277 894 HD12 LEU 108 HD12 LEU 108 -12.284 0.902 14.598 895 HD13 LEU 108 HD13 LEU 108 -12.042 -0.764 14.073 896 HD21 LEU 108 HD21 LEU 108 -15.485 -1.049 13.855 897 HD22 LEU 108 HD22 LEU 108 -14.087 -1.970 13.300 898 HD23 LEU 108 HD23 LEU 108 -15.099 -1.122 12.137 899 H THR 109 HN THR 109 -17.523 2.029 14.213 900 HA THR 109 HA THR 109 -18.960 -0.535 13.667 901 HB THR 109 HB THR 109 -20.154 0.122 15.840 902 HG1 THR 109 HG1 THR 109 -19.610 2.289 15.872 903 HG21 THR 109 HG21 THR 109 -17.168 -0.386 15.773 904 HG22 THR 109 HG22 THR 109 -18.454 -1.588 15.886 905 HG23 THR 109 HG23 THR 109 -18.141 -0.501 17.239 906 H GLY 110 HN GLY 110 -19.016 2.423 12.432 907 HA2 GLY 110 HA2 GLY 110 -21.583 3.504 12.772 908 HA3 GLY 110 HA1 GLY 110 -20.642 3.659 11.292 909 H GLY 111 HN GLY 111 -23.506 3.341 11.485 910 HA2 GLY 111 HA2 GLY 111 -23.941 1.385 9.447 911 HA3 GLY 111 HA1 GLY 111 -24.466 0.727 11.001 912 H GLN 112 HN GLN 112 -25.235 3.297 12.105 913 HA GLN 112 HA GLN 112 -27.248 4.474 12.340 914 HB2 GLN 112 HB2 GLN 112 -26.096 5.804 10.580 915 HB3 GLN 112 HB1 GLN 112 -26.879 4.813 9.348 916 HG2 GLN 112 HG2 GLN 112 -29.074 5.544 10.064 917 HG3 GLN 112 HG1 GLN 112 -28.387 6.388 11.451 918 HE21 GLN 112 HE21 GLN 112 -29.965 7.731 9.431 919 HE22 GLN 112 HE22 GLN 112 -28.950 8.831 8.629 920 H LEU 113 HN LEU 113 -28.387 2.452 12.831 921 HA LEU 113 HA LEU 113 -30.023 1.314 10.623 922 HB2 LEU 113 HB2 LEU 113 -29.769 0.469 13.527 923 HB3 LEU 113 HB1 LEU 113 -30.614 -0.419 12.258 924 HG LEU 113 HG LEU 113 -27.648 0.228 12.278 925 HD11 LEU 113 HD11 LEU 113 -27.504 -2.316 12.475 926 HD12 LEU 113 HD12 LEU 113 -29.219 -2.286 12.885 927 HD13 LEU 113 HD13 LEU 113 -28.052 -1.461 13.918 928 HD21 LEU 113 HD21 LEU 113 -28.189 0.072 10.000 929 HD22 LEU 113 HD22 LEU 113 -29.484 -1.092 10.280 930 HD23 LEU 113 HD23 LEU 113 -27.801 -1.603 10.381 931 H GLU 114 HN GLU 114 -32.162 1.728 10.425 932 HA GLU 114 HA GLU 114 -33.608 3.082 12.671 933 HB2 GLU 114 HB2 GLU 114 -33.554 3.893 9.746 934 HB3 GLU 114 HB1 GLU 114 -34.732 4.500 10.909 935 HG2 GLU 114 HG2 GLU 114 -32.934 5.435 12.286 936 HG3 GLU 114 HG1 GLU 114 -31.724 4.766 11.191 937 H HIS 115 HN HIS 115 -33.601 0.981 9.882 938 HA HIS 115 HA HIS 115 -36.437 0.530 9.730 939 HB2 HIS 115 HB2 HIS 115 -34.041 -1.098 8.851 940 HB3 HIS 115 HB1 HIS 115 -35.700 -1.620 8.564 941 HD1 HIS 115 HD1 HIS 115 -33.291 1.162 7.684 942 HD2 HIS 115 HD2 HIS 115 -37.016 -0.269 6.480 943 HE1 HIS 115 HE1 HIS 115 -33.899 2.431 5.579 944 H HIS 116 HN HIS 116 -33.818 -1.065 11.542 945 HA HIS 116 HA HIS 116 -35.843 -2.171 13.390 946 HB2 HIS 116 HB2 HIS 116 -35.609 -3.908 11.627 947 HB3 HIS 116 HB1 HIS 116 -33.873 -3.968 11.939 948 HD1 HIS 116 HD1 HIS 116 -33.103 -5.435 13.838 949 HD2 HIS 116 HD2 HIS 116 -37.207 -4.716 13.986 950 HE1 HIS 116 HE1 HIS 116 -34.020 -6.896 15.693 951 H HIS 117 HN HIS 117 -34.748 -3.212 15.304 952 HA HIS 117 HA HIS 117 -31.902 -2.545 15.679 953 HB2 HIS 117 HB2 HIS 117 -32.395 -1.242 17.770 954 HB3 HIS 117 HB1 HIS 117 -32.913 -0.428 16.295 955 HD1 HIS 117 HD1 HIS 117 -34.217 -2.065 19.389 956 HD2 HIS 117 HD2 HIS 117 -35.759 -0.346 15.918 957 HE1 HIS 117 HE1 HIS 117 -36.694 -1.729 19.796 958 H HIS 118 HN HIS 118 -31.021 -3.574 17.587 959 HA HIS 118 HA HIS 118 -32.405 -6.061 18.248 960 HB2 HIS 118 HB2 HIS 118 -29.765 -4.880 19.140 961 HB3 HIS 118 HB1 HIS 118 -30.341 -6.475 19.627 962 HD1 HIS 118 HD1 HIS 118 -27.850 -6.663 18.080 963 HD2 HIS 118 HD2 HIS 118 -31.522 -6.342 16.130 964 HE1 HIS 118 HE1 HIS 118 -27.504 -7.564 15.739 965 H HIS 119 HN HIS 119 -33.236 -6.656 20.244 966 HA HIS 119 HA HIS 119 -34.282 -4.541 21.903 967 HB2 HIS 119 HB2 HIS 119 -35.252 -6.336 23.224 968 HB3 HIS 119 HB1 HIS 119 -35.420 -6.730 21.514 969 HD1 HIS 119 HD1 HIS 119 -33.984 -7.981 24.660 970 HD2 HIS 119 HD2 HIS 119 -33.421 -8.695 20.591 971 HE1 HIS 119 HE1 HIS 119 -32.720 -10.168 24.485 972 H HIS 120 HN HIS 120 -33.598 -3.826 23.903 973 HA HIS 120 HA HIS 120 -31.603 -5.212 25.477 974 HB2 HIS 120 HB2 HIS 120 -29.766 -3.648 25.226 975 HB3 HIS 120 HB1 HIS 120 -30.200 -4.241 23.624 976 HD1 HIS 120 HD1 HIS 120 -31.663 -2.595 22.115 977 HD2 HIS 120 HD2 HIS 120 -30.075 -0.887 25.570 978 HE1 HIS 120 HE1 HIS 120 -31.848 -0.086 21.825 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -7.295 -7.339 19.013 2 H2 MET 1 HT2 MET 1 -6.377 -8.438 19.927 3 H3 MET 1 HT3 MET 1 -7.908 -7.946 20.472 4 HA MET 1 HA MET 1 -7.629 -9.301 17.874 5 HB2 MET 1 HB2 MET 1 -8.294 -11.397 19.283 6 HB3 MET 1 HB1 MET 1 -6.596 -10.924 19.241 7 HG2 MET 1 HG2 MET 1 -6.845 -9.742 21.375 8 HG3 MET 1 HG1 MET 1 -8.563 -10.139 21.412 9 HE1 MET 1 HE1 MET 1 -7.564 -12.391 24.204 10 HE2 MET 1 HE2 MET 1 -8.194 -10.837 23.664 11 HE3 MET 1 HE3 MET 1 -6.460 -11.044 23.897 12 H THR 2 HN THR 2 -9.281 -7.181 19.285 13 HA THR 2 HA THR 2 -11.963 -8.517 19.093 14 HB THR 2 HB THR 2 -11.937 -7.713 21.282 15 HG1 THR 2 HG1 THR 2 -12.649 -5.263 20.792 16 HG21 THR 2 HG21 THR 2 -9.698 -6.768 21.257 17 HG22 THR 2 HG22 THR 2 -10.808 -5.569 21.920 18 HG23 THR 2 HG23 THR 2 -10.241 -5.420 20.256 19 H LEU 3 HN LEU 3 -9.827 -6.106 17.900 20 HA LEU 3 HA LEU 3 -11.722 -4.302 16.736 21 HB2 LEU 3 HB2 LEU 3 -9.283 -3.805 16.943 22 HB3 LEU 3 HB1 LEU 3 -8.957 -5.028 15.718 23 HG LEU 3 HG LEU 3 -10.323 -3.767 14.086 24 HD11 LEU 3 HD11 LEU 3 -10.762 -1.278 14.906 25 HD12 LEU 3 HD12 LEU 3 -10.818 -2.041 16.495 26 HD13 LEU 3 HD13 LEU 3 -11.937 -2.550 15.230 27 HD21 LEU 3 HD21 LEU 3 -8.010 -3.251 13.976 28 HD22 LEU 3 HD22 LEU 3 -8.051 -2.342 15.486 29 HD23 LEU 3 HD23 LEU 3 -8.800 -1.678 14.034 30 H GLU 4 HN GLU 4 -10.185 -7.253 15.540 31 HA GLU 4 HA GLU 4 -11.208 -7.192 12.880 32 HB2 GLU 4 HB2 GLU 4 -9.433 -8.749 13.677 33 HB3 GLU 4 HB1 GLU 4 -10.644 -9.601 14.635 34 HG2 GLU 4 HG2 GLU 4 -11.887 -10.182 12.612 35 HG3 GLU 4 HG1 GLU 4 -10.749 -9.267 11.624 36 H LEU 5 HN LEU 5 -12.582 -8.425 15.903 37 HA LEU 5 HA LEU 5 -14.897 -9.680 14.770 38 HB2 LEU 5 HB2 LEU 5 -14.227 -8.551 17.484 39 HB3 LEU 5 HB1 LEU 5 -15.853 -9.146 17.149 40 HG LEU 5 HG LEU 5 -14.888 -11.329 16.464 41 HD11 LEU 5 HD11 LEU 5 -12.703 -10.728 15.711 42 HD12 LEU 5 HD12 LEU 5 -12.456 -11.692 17.166 43 HD13 LEU 5 HD13 LEU 5 -12.318 -9.935 17.239 44 HD21 LEU 5 HD21 LEU 5 -14.167 -10.266 19.211 45 HD22 LEU 5 HD22 LEU 5 -14.066 -11.974 18.781 46 HD23 LEU 5 HD23 LEU 5 -15.623 -11.148 18.750 47 H GLN 6 HN GLN 6 -14.321 -6.370 15.933 48 HA GLN 6 HA GLN 6 -17.006 -5.430 15.595 49 HB2 GLN 6 HB2 GLN 6 -14.351 -3.975 15.501 50 HB3 GLN 6 HB1 GLN 6 -15.912 -3.155 15.486 51 HG2 GLN 6 HG2 GLN 6 -16.485 -4.192 17.647 52 HG3 GLN 6 HG1 GLN 6 -14.933 -5.030 17.659 53 HE21 GLN 6 HE21 GLN 6 -15.042 -3.553 19.826 54 HE22 GLN 6 HE22 GLN 6 -14.272 -2.047 19.675 55 H LEU 7 HN LEU 7 -14.260 -5.642 13.395 56 HA LEU 7 HA LEU 7 -15.375 -4.121 11.258 57 HB2 LEU 7 HB2 LEU 7 -12.996 -4.830 11.351 58 HB3 LEU 7 HB1 LEU 7 -13.503 -6.499 11.105 59 HG LEU 7 HG LEU 7 -14.514 -5.862 8.931 60 HD11 LEU 7 HD11 LEU 7 -15.106 -3.619 9.011 61 HD12 LEU 7 HD12 LEU 7 -13.608 -3.513 8.092 62 HD13 LEU 7 HD13 LEU 7 -13.612 -3.138 9.816 63 HD21 LEU 7 HD21 LEU 7 -11.590 -5.320 9.441 64 HD22 LEU 7 HD22 LEU 7 -12.259 -5.216 7.812 65 HD23 LEU 7 HD23 LEU 7 -12.341 -6.734 8.702 66 H LYS 8 HN LYS 8 -15.590 -7.570 12.053 67 HA LYS 8 HA LYS 8 -17.046 -8.386 9.735 68 HB2 LYS 8 HB2 LYS 8 -17.006 -9.447 12.572 69 HB3 LYS 8 HB1 LYS 8 -17.808 -10.273 11.236 70 HG2 LYS 8 HG2 LYS 8 -15.716 -10.517 10.045 71 HG3 LYS 8 HG1 LYS 8 -14.880 -9.494 11.209 72 HD2 LYS 8 HD2 LYS 8 -14.327 -11.741 11.808 73 HD3 LYS 8 HD1 LYS 8 -15.518 -11.205 12.991 74 HE2 LYS 8 HE2 LYS 8 -17.271 -12.432 11.924 75 HE3 LYS 8 HE1 LYS 8 -16.288 -12.726 10.490 76 HZ1 LYS 8 HZ1 LYS 8 -16.431 -14.216 12.891 77 HZ2 LYS 8 HZ2 LYS 8 -14.837 -13.690 12.631 78 HZ3 LYS 8 HZ3 LYS 8 -15.639 -14.601 11.441 79 H HIS 9 HN HIS 9 -18.126 -7.213 12.907 80 HA HIS 9 HA HIS 9 -20.950 -7.456 12.370 81 HB2 HIS 9 HB2 HIS 9 -19.411 -5.716 14.311 82 HB3 HIS 9 HB1 HIS 9 -21.165 -5.884 14.314 83 HD1 HIS 9 HD1 HIS 9 -21.845 -8.662 14.251 84 HD2 HIS 9 HD2 HIS 9 -18.298 -7.484 16.098 85 HE1 HIS 9 HE1 HIS 9 -21.187 -10.549 15.806 86 H TYR 10 HN TYR 10 -18.645 -4.773 12.081 87 HA TYR 10 HA TYR 10 -20.524 -2.751 11.358 88 HB2 TYR 10 HB2 TYR 10 -18.225 -2.212 12.000 89 HB3 TYR 10 HB1 TYR 10 -17.614 -3.066 10.582 90 HD1 TYR 10 HD1 TYR 10 -19.687 -0.176 11.673 91 HD2 TYR 10 HD2 TYR 10 -17.545 -2.021 8.440 92 HE1 TYR 10 HE1 TYR 10 -19.976 1.875 10.311 93 HE2 TYR 10 HE2 TYR 10 -17.832 0.032 7.079 94 HH TYR 10 HH TYR 10 -18.366 2.266 7.213 95 H ILE 11 HN ILE 11 -18.582 -4.926 9.320 96 HA ILE 11 HA ILE 11 -19.503 -3.911 6.813 97 HB ILE 11 HB ILE 11 -18.426 -6.621 7.616 98 HG12 ILE 11 HG12 ILE 11 -17.122 -4.351 6.087 99 HG13 ILE 11 HG11 ILE 11 -16.962 -4.565 7.831 100 HG21 ILE 11 HG21 ILE 11 -19.626 -7.027 5.598 101 HG22 ILE 11 HG22 ILE 11 -17.952 -6.791 5.100 102 HG23 ILE 11 HG23 ILE 11 -19.123 -5.487 4.900 103 HD11 ILE 11 HD11 ILE 11 -15.051 -5.586 6.679 104 HD12 ILE 11 HD12 ILE 11 -16.145 -6.574 5.712 105 HD13 ILE 11 HD13 ILE 11 -16.030 -6.835 7.450 106 H THR 12 HN THR 12 -20.715 -6.595 8.827 107 HA THR 12 HA THR 12 -22.734 -7.452 6.994 108 HB THR 12 HB THR 12 -23.826 -8.404 9.083 109 HG1 THR 12 HG1 THR 12 -22.197 -6.602 10.170 110 HG21 THR 12 HG21 THR 12 -21.761 -9.858 9.615 111 HG22 THR 12 HG22 THR 12 -20.934 -8.905 8.382 112 HG23 THR 12 HG23 THR 12 -22.352 -9.863 7.954 113 H ASN 13 HN ASN 13 -22.892 -5.167 9.716 114 HA ASN 13 HA ASN 13 -25.686 -4.557 9.391 115 HB2 ASN 13 HB2 ASN 13 -24.451 -4.077 11.468 116 HB3 ASN 13 HB1 ASN 13 -23.452 -2.909 10.604 117 HD21 ASN 13 HD21 ASN 13 -24.823 -1.872 12.738 118 HD22 ASN 13 HD22 ASN 13 -26.151 -0.950 12.222 119 H LEU 14 HN LEU 14 -22.719 -3.049 8.146 120 HA LEU 14 HA LEU 14 -24.014 -0.819 6.918 121 HB2 LEU 14 HB2 LEU 14 -21.595 -0.831 7.260 122 HB3 LEU 14 HB1 LEU 14 -21.426 -2.208 6.175 123 HG LEU 14 HG LEU 14 -22.206 -0.873 4.280 124 HD11 LEU 14 HD11 LEU 14 -22.442 1.692 4.793 125 HD12 LEU 14 HD12 LEU 14 -22.768 1.151 6.441 126 HD13 LEU 14 HD13 LEU 14 -23.804 0.623 5.116 127 HD21 LEU 14 HD21 LEU 14 -19.788 -0.765 4.986 128 HD22 LEU 14 HD22 LEU 14 -20.160 0.730 5.843 129 HD23 LEU 14 HD23 LEU 14 -20.337 0.653 4.091 130 H PHE 15 HN PHE 15 -23.170 -4.027 5.615 131 HA PHE 15 HA PHE 15 -24.642 -3.357 3.105 132 HB2 PHE 15 HB2 PHE 15 -22.742 -5.586 3.872 133 HB3 PHE 15 HB1 PHE 15 -23.664 -5.601 2.365 134 HD1 PHE 15 HD1 PHE 15 -23.335 -3.802 0.677 135 HD2 PHE 15 HD2 PHE 15 -20.874 -4.098 4.184 136 HE1 PHE 15 HE1 PHE 15 -21.689 -2.262 -0.352 137 HE2 PHE 15 HE2 PHE 15 -19.223 -2.559 3.153 138 HZ PHE 15 HZ PHE 15 -19.632 -1.639 0.887 139 H ASN 16 HN ASN 16 -25.304 -4.539 6.088 140 HA ASN 16 HA ASN 16 -27.064 -5.801 6.976 141 HB2 ASN 16 HB2 ASN 16 -28.280 -4.208 5.387 142 HB3 ASN 16 HB1 ASN 16 -28.337 -5.548 4.241 143 HD21 ASN 16 HD21 ASN 16 -30.712 -5.641 4.458 144 HD22 ASN 16 HD22 ASN 16 -31.426 -6.303 5.849 145 H LEU 17 HN LEU 17 -24.887 -7.256 5.947 146 HA LEU 17 HA LEU 17 -26.051 -9.529 4.452 147 HB2 LEU 17 HB2 LEU 17 -23.216 -9.069 5.413 148 HB3 LEU 17 HB1 LEU 17 -23.731 -10.337 4.310 149 HG LEU 17 HG LEU 17 -24.193 -7.405 3.735 150 HD11 LEU 17 HD11 LEU 17 -21.852 -9.133 2.886 151 HD12 LEU 17 HD12 LEU 17 -21.779 -7.770 4.004 152 HD13 LEU 17 HD13 LEU 17 -22.182 -7.499 2.309 153 HD21 LEU 17 HD21 LEU 17 -24.171 -8.366 1.351 154 HD22 LEU 17 HD22 LEU 17 -25.562 -8.779 2.346 155 HD23 LEU 17 HD23 LEU 17 -24.273 -9.957 2.103 156 HA PRO 18 HA PRO 18 -26.741 -11.902 8.122 157 HB2 PRO 18 HB2 PRO 18 -26.398 -14.464 7.146 158 HB3 PRO 18 HB1 PRO 18 -27.840 -13.474 6.839 159 HG2 PRO 18 HG2 PRO 18 -25.467 -13.948 5.088 160 HG3 PRO 18 HG1 PRO 18 -27.188 -13.886 4.661 161 HD2 PRO 18 HD2 PRO 18 -25.524 -11.788 4.219 162 HD3 PRO 18 HD1 PRO 18 -27.235 -11.558 4.630 163 H ARG 19 HN ARG 19 -25.602 -12.775 9.820 164 HA ARG 19 HA ARG 19 -22.678 -12.785 9.643 165 HB2 ARG 19 HB2 ARG 19 -24.642 -13.321 11.881 166 HB3 ARG 19 HB1 ARG 19 -22.895 -13.426 12.097 167 HG2 ARG 19 HG2 ARG 19 -22.651 -11.079 11.412 168 HG3 ARG 19 HG1 ARG 19 -24.389 -10.969 11.128 169 HD2 ARG 19 HD2 ARG 19 -24.835 -11.412 13.494 170 HD3 ARG 19 HD1 ARG 19 -23.113 -11.624 13.799 171 HE ARG 19 HE ARG 19 -22.826 -9.264 13.669 172 HH11 ARG 19 HH21 ARG 19 -25.993 -10.275 12.738 173 HH12 ARG 19 HH22 ARG 19 -26.651 -8.676 12.777 174 HH21 ARG 19 HH11 ARG 19 -23.672 -7.186 13.728 175 HH22 ARG 19 HH12 ARG 19 -25.339 -6.926 13.338 176 H ASP 20 HN ASP 20 -25.128 -15.032 9.067 177 HA ASP 20 HA ASP 20 -23.705 -17.398 10.043 178 HB2 ASP 20 HB2 ASP 20 -26.136 -17.025 8.273 179 HB3 ASP 20 HB1 ASP 20 -25.506 -18.610 8.722 180 H GLU 21 HN GLU 21 -23.039 -15.333 7.587 181 HA GLU 21 HA GLU 21 -22.477 -17.308 5.490 182 HB2 GLU 21 HB2 GLU 21 -23.137 -14.948 4.970 183 HB3 GLU 21 HB1 GLU 21 -21.610 -14.409 5.663 184 HG2 GLU 21 HG2 GLU 21 -21.316 -14.562 3.270 185 HG3 GLU 21 HG1 GLU 21 -20.422 -15.894 3.998 186 H LYS 22 HN LYS 22 -20.708 -18.552 5.513 187 HA LYS 22 HA LYS 22 -18.543 -18.129 7.390 188 HB2 LYS 22 HB2 LYS 22 -19.265 -20.383 6.636 189 HB3 LYS 22 HB1 LYS 22 -18.700 -19.998 5.010 190 HG2 LYS 22 HG2 LYS 22 -16.416 -19.721 5.824 191 HG3 LYS 22 HG1 LYS 22 -16.948 -19.978 7.485 192 HD2 LYS 22 HD2 LYS 22 -17.703 -22.257 6.881 193 HD3 LYS 22 HD1 LYS 22 -17.131 -22.002 5.233 194 HE2 LYS 22 HE2 LYS 22 -15.363 -21.805 7.687 195 HE3 LYS 22 HE1 LYS 22 -15.498 -23.248 6.682 196 HZ1 LYS 22 HZ1 LYS 22 -14.711 -20.574 5.661 197 HZ2 LYS 22 HZ2 LYS 22 -14.692 -22.043 4.806 198 HZ3 LYS 22 HZ3 LYS 22 -13.610 -21.790 6.091 199 H TRP 23 HN TRP 23 -16.629 -17.113 7.057 200 HA TRP 23 HA TRP 23 -16.147 -15.874 4.386 201 HB2 TRP 23 HB2 TRP 23 -15.289 -15.215 7.198 202 HB3 TRP 23 HB1 TRP 23 -14.393 -14.571 5.822 203 HD1 TRP 23 HD1 TRP 23 -16.161 -13.434 3.872 204 HE1 TRP 23 HE1 TRP 23 -18.046 -11.742 4.344 205 HE3 TRP 23 HE3 TRP 23 -16.899 -14.307 8.843 206 HZ2 TRP 23 HZ2 TRP 23 -19.656 -10.873 6.542 207 HZ3 TRP 23 HZ3 TRP 23 -18.613 -13.036 10.103 208 HH2 TRP 23 HH2 TRP 23 -19.992 -11.320 8.959 209 H GLU 24 HN GLU 24 -14.128 -16.087 3.383 210 HA GLU 24 HA GLU 24 -12.514 -18.431 4.314 211 HB2 GLU 24 HB2 GLU 24 -13.637 -18.597 2.072 212 HB3 GLU 24 HB1 GLU 24 -12.678 -17.215 1.545 213 HG2 GLU 24 HG2 GLU 24 -11.533 -19.214 0.831 214 HG3 GLU 24 HG1 GLU 24 -10.608 -18.523 2.162 215 H CYS 25 HN CYS 25 -10.563 -17.971 5.079 216 HA CYS 25 HA CYS 25 -9.496 -15.260 4.935 217 HB2 CYS 25 HB2 CYS 25 -9.284 -16.678 6.968 218 HB3 CYS 25 HB1 CYS 25 -8.242 -17.776 6.064 219 HG CYS 25 HG CYS 25 -6.409 -15.992 5.979 220 H GLU 26 HN GLU 26 -7.896 -14.535 3.621 221 HA GLU 26 HA GLU 26 -6.360 -16.510 1.978 222 HB2 GLU 26 HB2 GLU 26 -8.195 -15.553 0.609 223 HB3 GLU 26 HB1 GLU 26 -7.605 -13.931 0.970 224 HG2 GLU 26 HG2 GLU 26 -5.470 -14.438 -0.106 225 HG3 GLU 26 HG1 GLU 26 -5.988 -16.097 -0.400 226 H SER 27 HN SER 27 -4.401 -16.229 2.976 227 HA SER 27 HA SER 27 -3.460 -13.467 3.551 228 HB2 SER 27 HB2 SER 27 -1.573 -14.733 4.708 229 HB3 SER 27 HB1 SER 27 -3.176 -14.906 5.420 230 HG SER 27 HG SER 27 -1.682 -16.843 4.780 231 H ILE 28 HN ILE 28 -2.135 -12.486 2.176 232 HA ILE 28 HA ILE 28 -0.176 -14.077 0.615 233 HB ILE 28 HB ILE 28 -2.180 -13.803 -0.840 234 HG12 ILE 28 HG12 ILE 28 0.090 -12.023 -1.760 235 HG13 ILE 28 HG11 ILE 28 0.225 -13.780 -1.683 236 HG21 ILE 28 HG21 ILE 28 -2.989 -11.663 -1.473 237 HG22 ILE 28 HG22 ILE 28 -1.589 -10.840 -0.784 238 HG23 ILE 28 HG23 ILE 28 -2.796 -11.567 0.277 239 HD11 ILE 28 HD11 ILE 28 -1.993 -12.375 -3.184 240 HD12 ILE 28 HD12 ILE 28 -1.538 -14.076 -3.277 241 HD13 ILE 28 HD13 ILE 28 -0.471 -12.840 -3.943 242 H GLU 29 HN GLU 29 1.761 -13.023 0.536 243 HA GLU 29 HA GLU 29 1.930 -10.384 1.844 244 HB2 GLU 29 HB2 GLU 29 3.514 -12.187 2.465 245 HB3 GLU 29 HB1 GLU 29 4.127 -12.191 0.810 246 HG2 GLU 29 HG2 GLU 29 4.840 -9.868 1.028 247 HG3 GLU 29 HG1 GLU 29 4.146 -9.780 2.646 248 H GLU 30 HN GLU 30 2.154 -8.506 0.749 249 HA GLU 30 HA GLU 30 3.444 -8.457 -1.887 250 HB2 GLU 30 HB2 GLU 30 1.436 -7.336 -2.953 251 HB3 GLU 30 HB1 GLU 30 1.234 -9.059 -2.631 252 HG2 GLU 30 HG2 GLU 30 0.043 -8.539 -0.543 253 HG3 GLU 30 HG1 GLU 30 0.260 -6.814 -0.842 254 H VAL 31 HN VAL 31 3.448 -6.154 -2.739 255 HA VAL 31 HA VAL 31 4.355 -4.382 -0.670 256 HB VAL 31 HB VAL 31 3.712 -3.892 -3.584 257 HG11 VAL 31 HG11 VAL 31 4.992 -2.133 -1.475 258 HG12 VAL 31 HG12 VAL 31 3.602 -1.757 -2.494 259 HG13 VAL 31 HG13 VAL 31 5.213 -1.863 -3.204 260 HG21 VAL 31 HG21 VAL 31 5.554 -5.487 -3.117 261 HG22 VAL 31 HG22 VAL 31 6.329 -4.279 -2.092 262 HG23 VAL 31 HG23 VAL 31 6.164 -3.992 -3.825 263 H ALA 32 HN ALA 32 3.308 -2.788 0.404 264 HA ALA 32 HA ALA 32 0.495 -2.725 0.657 265 HB1 ALA 32 HB1 ALA 32 0.891 -0.497 1.745 266 HB2 ALA 32 HB2 ALA 32 2.558 -0.572 1.182 267 HB3 ALA 32 HB3 ALA 32 1.968 -1.760 2.343 268 H ASP 33 HN ASP 33 2.620 -0.557 -1.224 269 HA ASP 33 HA ASP 33 0.625 1.171 -2.247 270 HB2 ASP 33 HB2 ASP 33 3.158 1.376 -2.457 271 HB3 ASP 33 HB1 ASP 33 3.052 0.223 -3.783 272 H ASP 34 HN ASP 34 1.104 -2.152 -2.885 273 HA ASP 34 HA ASP 34 0.170 -2.283 -5.602 274 HB2 ASP 34 HB2 ASP 34 1.347 -4.122 -4.329 275 HB3 ASP 34 HB1 ASP 34 -0.169 -4.399 -3.473 276 H ILE 35 HN ILE 35 -1.529 -2.389 -2.482 277 HA ILE 35 HA ILE 35 -4.137 -2.264 -3.969 278 HB ILE 35 HB ILE 35 -5.152 -3.227 -1.914 279 HG12 ILE 35 HG12 ILE 35 -2.284 -3.672 -1.024 280 HG13 ILE 35 HG11 ILE 35 -3.316 -2.402 -0.372 281 HG21 ILE 35 HG21 ILE 35 -4.261 -4.601 -3.880 282 HG22 ILE 35 HG22 ILE 35 -4.468 -5.468 -2.358 283 HG23 ILE 35 HG23 ILE 35 -2.860 -4.953 -2.868 284 HD11 ILE 35 HD11 ILE 35 -4.856 -3.982 0.537 285 HD12 ILE 35 HD12 ILE 35 -3.250 -4.570 0.966 286 HD13 ILE 35 HD13 ILE 35 -4.133 -5.313 -0.363 287 H LEU 36 HN LEU 36 -1.969 -0.536 -2.051 288 HA LEU 36 HA LEU 36 -4.126 1.205 -0.966 289 HB2 LEU 36 HB2 LEU 36 -1.258 0.787 -0.228 290 HB3 LEU 36 HB1 LEU 36 -2.079 2.273 0.236 291 HG LEU 36 HG LEU 36 -3.445 -0.360 0.770 292 HD11 LEU 36 HD11 LEU 36 -1.401 -0.889 1.775 293 HD12 LEU 36 HD12 LEU 36 -2.331 -0.189 3.098 294 HD13 LEU 36 HD13 LEU 36 -1.102 0.774 2.280 295 HD21 LEU 36 HD21 LEU 36 -4.668 1.752 1.169 296 HD22 LEU 36 HD22 LEU 36 -3.372 2.314 2.215 297 HD23 LEU 36 HD23 LEU 36 -4.351 0.931 2.694 298 HA PRO 37 HA PRO 37 -3.303 3.826 -4.572 299 HB2 PRO 37 HB2 PRO 37 -4.699 5.789 -2.775 300 HB3 PRO 37 HB1 PRO 37 -4.987 5.437 -4.492 301 HG2 PRO 37 HG2 PRO 37 -6.624 4.508 -2.614 302 HG3 PRO 37 HG1 PRO 37 -6.203 3.527 -4.031 303 HD2 PRO 37 HD2 PRO 37 -5.257 3.254 -1.206 304 HD3 PRO 37 HD1 PRO 37 -5.522 2.007 -2.451 305 H ASP 38 HN ASP 38 -1.659 5.244 -5.021 306 HA ASP 38 HA ASP 38 0.436 5.740 -3.209 307 HB2 ASP 38 HB2 ASP 38 0.408 5.944 -5.770 308 HB3 ASP 38 HB1 ASP 38 -0.241 7.563 -5.519 309 H GLN 39 HN GLN 39 -2.630 7.132 -3.231 310 HA GLN 39 HA GLN 39 -2.086 9.828 -2.446 311 HB2 GLN 39 HB2 GLN 39 -4.333 8.956 -3.119 312 HB3 GLN 39 HB1 GLN 39 -4.403 8.073 -1.595 313 HG2 GLN 39 HG2 GLN 39 -4.221 10.190 -0.344 314 HG3 GLN 39 HG1 GLN 39 -4.139 11.082 -1.863 315 HE21 GLN 39 HE21 GLN 39 -6.139 12.157 -1.925 316 HE22 GLN 39 HE22 GLN 39 -7.643 11.384 -1.787 317 H TYR 40 HN TYR 40 -2.540 6.877 -0.507 318 HA TYR 40 HA TYR 40 -1.678 8.390 1.923 319 HB2 TYR 40 HB2 TYR 40 -3.729 7.150 2.243 320 HB3 TYR 40 HB1 TYR 40 -3.008 5.692 1.562 321 HD1 TYR 40 HD2 TYR 40 -2.350 8.212 4.263 322 HD2 TYR 40 HD1 TYR 40 -2.153 4.099 3.050 323 HE1 TYR 40 HE2 TYR 40 -1.499 7.592 6.508 324 HE2 TYR 40 HE1 TYR 40 -1.299 3.477 5.294 325 HH TYR 40 HH TYR 40 0.085 5.242 7.288 326 H VAL 41 HN VAL 41 -0.384 6.458 -0.501 327 HA VAL 41 HA VAL 41 1.844 5.573 1.291 328 HB VAL 41 HB VAL 41 0.609 4.172 -1.091 329 HG11 VAL 41 HG11 VAL 41 2.931 3.855 -1.433 330 HG12 VAL 41 HG12 VAL 41 2.449 2.435 -0.504 331 HG13 VAL 41 HG13 VAL 41 3.265 3.777 0.297 332 HG21 VAL 41 HG21 VAL 41 0.349 2.343 0.572 333 HG22 VAL 41 HG22 VAL 41 -0.491 3.806 1.084 334 HG23 VAL 41 HG23 VAL 41 1.060 3.381 1.807 335 H ARG 42 HN ARG 42 3.721 6.412 0.787 336 HA ARG 42 HA ARG 42 4.493 7.032 -1.976 337 HB2 ARG 42 HB2 ARG 42 5.129 9.443 -1.211 338 HB3 ARG 42 HB1 ARG 42 3.447 9.121 -1.622 339 HG2 ARG 42 HG2 ARG 42 2.878 8.831 0.731 340 HG3 ARG 42 HG1 ARG 42 4.569 9.030 1.195 341 HD2 ARG 42 HD2 ARG 42 3.425 11.145 1.543 342 HD3 ARG 42 HD1 ARG 42 4.513 11.322 0.166 343 HE ARG 42 HE ARG 42 1.928 10.509 -0.763 344 HH11 ARG 42 HH21 ARG 42 3.641 13.171 0.608 345 HH12 ARG 42 HH22 ARG 42 2.634 14.366 -0.135 346 HH21 ARG 42 HH11 ARG 42 0.611 12.054 -1.733 347 HH22 ARG 42 HH12 ARG 42 0.920 13.736 -1.460 348 H LEU 43 HN LEU 43 6.115 8.989 0.240 349 HA LEU 43 HA LEU 43 8.396 7.071 0.369 350 HB2 LEU 43 HB2 LEU 43 8.125 10.064 0.674 351 HB3 LEU 43 HB1 LEU 43 9.571 9.226 1.239 352 HG LEU 43 HG LEU 43 9.844 8.249 -1.046 353 HD11 LEU 43 HD11 LEU 43 7.658 8.260 -1.958 354 HD12 LEU 43 HD12 LEU 43 8.499 9.519 -2.859 355 HD13 LEU 43 HD13 LEU 43 7.401 9.956 -1.550 356 HD21 LEU 43 HD21 LEU 43 9.624 11.264 -1.181 357 HD22 LEU 43 HD22 LEU 43 10.781 10.224 -2.012 358 HD23 LEU 43 HD23 LEU 43 10.891 10.449 -0.266 359 H GLY 44 HN GLY 44 5.765 7.665 2.136 360 HA2 GLY 44 HA2 GLY 44 6.754 8.228 4.754 361 HA3 GLY 44 HA1 GLY 44 5.219 7.437 4.407 362 HA PRO 45 HA PRO 45 8.219 4.443 6.538 363 HB2 PRO 45 HB2 PRO 45 5.655 3.917 7.998 364 HB3 PRO 45 HB1 PRO 45 7.304 4.067 8.640 365 HG2 PRO 45 HG2 PRO 45 5.556 6.019 8.984 366 HG3 PRO 45 HG1 PRO 45 7.245 6.389 8.583 367 HD2 PRO 45 HD2 PRO 45 4.835 6.416 6.780 368 HD3 PRO 45 HD1 PRO 45 6.188 7.568 6.867 369 H LEU 46 HN LEU 46 4.945 4.202 5.280 370 HA LEU 46 HA LEU 46 5.082 1.295 4.899 371 HB2 LEU 46 HB2 LEU 46 3.084 3.326 3.854 372 HB3 LEU 46 HB1 LEU 46 2.863 1.578 3.876 373 HG LEU 46 HG LEU 46 3.236 3.330 6.328 374 HD11 LEU 46 HD11 LEU 46 0.772 1.954 5.208 375 HD12 LEU 46 HD12 LEU 46 1.053 3.694 5.269 376 HD13 LEU 46 HD13 LEU 46 0.851 2.780 6.763 377 HD21 LEU 46 HD21 LEU 46 4.049 1.217 6.966 378 HD22 LEU 46 HD22 LEU 46 2.935 0.357 5.905 379 HD23 LEU 46 HD23 LEU 46 2.344 1.094 7.394 380 H SER 47 HN SER 47 6.516 3.829 3.362 381 HA SER 47 HA SER 47 6.016 3.444 0.610 382 HB2 SER 47 HB2 SER 47 8.174 4.495 0.225 383 HB3 SER 47 HB1 SER 47 7.363 5.289 1.570 384 HG SER 47 HG SER 47 9.056 4.793 2.690 385 H ASN 48 HN ASN 48 6.612 1.945 -0.848 386 HA ASN 48 HA ASN 48 7.221 -0.222 -1.540 387 HB2 ASN 48 HB2 ASN 48 9.656 -0.486 -1.663 388 HB3 ASN 48 HB1 ASN 48 9.200 1.169 -2.058 389 HD21 ASN 48 HD21 ASN 48 10.807 2.496 -1.209 390 HD22 ASN 48 HD22 ASN 48 11.438 2.372 0.362 391 H LYS 49 HN LYS 49 6.420 0.083 1.381 392 HA LYS 49 HA LYS 49 8.047 -1.957 2.721 393 HB2 LYS 49 HB2 LYS 49 6.935 0.030 3.880 394 HB3 LYS 49 HB1 LYS 49 5.412 -0.828 3.669 395 HG2 LYS 49 HG2 LYS 49 6.042 -1.588 5.786 396 HG3 LYS 49 HG1 LYS 49 6.740 -2.846 4.769 397 HD2 LYS 49 HD2 LYS 49 8.920 -1.708 4.832 398 HD3 LYS 49 HD1 LYS 49 8.223 -0.410 5.798 399 HE2 LYS 49 HE2 LYS 49 7.682 -2.024 7.579 400 HE3 LYS 49 HE1 LYS 49 8.380 -3.324 6.611 401 HZ1 LYS 49 HZ1 LYS 49 9.871 -2.284 8.339 402 HZ2 LYS 49 HZ2 LYS 49 9.912 -0.904 7.350 403 HZ3 LYS 49 HZ3 LYS 49 10.505 -2.386 6.769 404 H ILE 50 HN ILE 50 7.555 -4.095 2.887 405 HA ILE 50 HA ILE 50 5.291 -5.111 1.293 406 HB ILE 50 HB ILE 50 7.545 -6.499 2.756 407 HG12 ILE 50 HG12 ILE 50 7.020 -6.212 -0.213 408 HG13 ILE 50 HG11 ILE 50 8.065 -5.117 0.693 409 HG21 ILE 50 HG21 ILE 50 6.753 -8.477 1.350 410 HG22 ILE 50 HG22 ILE 50 5.272 -7.562 1.067 411 HG23 ILE 50 HG23 ILE 50 5.716 -8.037 2.706 412 HD11 ILE 50 HD11 ILE 50 9.573 -6.891 1.265 413 HD12 ILE 50 HD12 ILE 50 9.255 -7.047 -0.462 414 HD13 ILE 50 HD13 ILE 50 8.450 -8.119 0.683 415 H LEU 51 HN LEU 51 3.357 -5.207 2.302 416 HA LEU 51 HA LEU 51 3.275 -5.983 5.197 417 HB2 LEU 51 HB2 LEU 51 1.546 -4.192 3.503 418 HB3 LEU 51 HB1 LEU 51 0.867 -4.958 4.940 419 HG LEU 51 HG LEU 51 2.723 -4.008 6.293 420 HD11 LEU 51 HD11 LEU 51 3.584 -3.022 3.596 421 HD12 LEU 51 HD12 LEU 51 4.552 -3.619 4.943 422 HD13 LEU 51 HD13 LEU 51 3.886 -1.992 4.995 423 HD21 LEU 51 HD21 LEU 51 0.480 -2.835 5.847 424 HD22 LEU 51 HD22 LEU 51 1.375 -1.794 4.740 425 HD23 LEU 51 HD23 LEU 51 1.795 -1.831 6.453 426 H GLN 52 HN GLN 52 1.836 -7.548 5.856 427 HA GLN 52 HA GLN 52 1.183 -9.559 3.850 428 HB2 GLN 52 HB2 GLN 52 0.777 -9.398 6.842 429 HB3 GLN 52 HB1 GLN 52 0.300 -10.797 5.875 430 HG2 GLN 52 HG2 GLN 52 2.618 -11.053 5.083 431 HG3 GLN 52 HG1 GLN 52 3.101 -9.637 6.015 432 HE21 GLN 52 HE21 GLN 52 4.569 -11.626 6.854 433 HE22 GLN 52 HE22 GLN 52 3.970 -12.399 8.241 434 H THR 53 HN THR 53 -0.602 -9.288 2.630 435 HA THR 53 HA THR 53 -2.911 -7.772 3.712 436 HB THR 53 HB THR 53 -3.720 -7.812 1.395 437 HG1 THR 53 HG1 THR 53 -3.077 -9.771 0.667 438 HG21 THR 53 HG21 THR 53 -1.989 -6.464 0.421 439 HG22 THR 53 HG22 THR 53 -0.746 -7.254 1.391 440 HG23 THR 53 HG23 THR 53 -1.921 -6.188 2.160 441 H ASN 54 HN ASN 54 -4.375 -8.942 4.811 442 HA ASN 54 HA ASN 54 -4.919 -11.767 3.997 443 HB2 ASN 54 HB2 ASN 54 -5.362 -10.268 6.590 444 HB3 ASN 54 HB1 ASN 54 -6.022 -11.876 6.281 445 HD21 ASN 54 HD21 ASN 54 -4.070 -11.424 8.352 446 HD22 ASN 54 HD22 ASN 54 -2.639 -12.222 7.908 447 H THR 55 HN THR 55 -6.440 -11.553 2.419 448 HA THR 55 HA THR 55 -8.703 -9.683 2.818 449 HB THR 55 HB THR 55 -7.910 -11.428 0.475 450 HG1 THR 55 HG1 THR 55 -7.860 -8.829 -0.011 451 HG21 THR 55 HG21 THR 55 -10.249 -11.114 0.290 452 HG22 THR 55 HG22 THR 55 -9.548 -9.850 -0.719 453 HG23 THR 55 HG23 THR 55 -10.158 -9.458 0.888 454 H TYR 56 HN TYR 56 -10.632 -10.373 3.544 455 HA TYR 56 HA TYR 56 -11.166 -13.324 3.612 456 HB2 TYR 56 HB2 TYR 56 -12.283 -11.103 5.354 457 HB3 TYR 56 HB1 TYR 56 -12.630 -12.826 5.523 458 HD1 TYR 56 HD2 TYR 56 -9.909 -10.292 5.649 459 HD2 TYR 56 HD1 TYR 56 -11.115 -14.291 6.652 460 HE1 TYR 56 HE2 TYR 56 -7.857 -10.568 7.013 461 HE2 TYR 56 HE1 TYR 56 -9.064 -14.566 8.017 462 HH TYR 56 HH TYR 56 -6.505 -12.171 7.994 463 H TYR 57 HN TYR 57 -12.794 -13.986 2.291 464 HA TYR 57 HA TYR 57 -15.070 -12.170 1.759 465 HB2 TYR 57 HB2 TYR 57 -14.865 -12.317 -0.664 466 HB3 TYR 57 HB1 TYR 57 -13.395 -11.613 0.004 467 HD1 TYR 57 HD2 TYR 57 -11.383 -13.156 0.408 468 HD2 TYR 57 HD1 TYR 57 -14.780 -14.301 -1.960 469 HE1 TYR 57 HE2 TYR 57 -10.038 -14.936 -0.672 470 HE2 TYR 57 HE1 TYR 57 -13.428 -16.081 -3.036 471 HH TYR 57 HH TYR 57 -9.973 -16.333 -2.513 472 H SER 58 HN SER 58 -16.840 -13.308 0.673 473 HA SER 58 HA SER 58 -16.653 -16.285 0.745 474 HB2 SER 58 HB2 SER 58 -18.507 -16.530 2.149 475 HB3 SER 58 HB1 SER 58 -17.710 -15.131 2.860 476 HG SER 58 HG SER 58 -19.176 -14.066 1.084 477 H ASP 59 HN ASP 59 -19.108 -16.993 0.004 478 HA ASP 59 HA ASP 59 -19.266 -16.313 -2.777 479 HB2 ASP 59 HB2 ASP 59 -21.085 -17.735 -0.838 480 HB3 ASP 59 HB1 ASP 59 -21.601 -17.440 -2.497 481 H THR 60 HN THR 60 -21.176 -15.267 0.038 482 HA THR 60 HA THR 60 -23.033 -13.638 -1.427 483 HB THR 60 HB THR 60 -22.064 -13.163 1.403 484 HG1 THR 60 HG1 THR 60 -22.965 -15.385 0.533 485 HG21 THR 60 HG21 THR 60 -23.559 -11.457 0.375 486 HG22 THR 60 HG22 THR 60 -24.304 -12.280 1.745 487 HG23 THR 60 HG23 THR 60 -24.762 -12.718 0.100 488 H LEU 61 HN LEU 61 -20.000 -12.806 0.265 489 HA LEU 61 HA LEU 61 -20.056 -10.016 -0.376 490 HB2 LEU 61 HB2 LEU 61 -17.903 -11.968 0.384 491 HB3 LEU 61 HB1 LEU 61 -17.465 -10.327 -0.073 492 HG LEU 61 HG LEU 61 -18.969 -9.445 1.677 493 HD11 LEU 61 HD11 LEU 61 -20.664 -11.110 1.832 494 HD12 LEU 61 HD12 LEU 61 -19.805 -11.180 3.370 495 HD13 LEU 61 HD13 LEU 61 -19.487 -12.390 2.126 496 HD21 LEU 61 HD21 LEU 61 -16.563 -10.036 2.157 497 HD22 LEU 61 HD22 LEU 61 -17.123 -11.576 2.800 498 HD23 LEU 61 HD23 LEU 61 -17.603 -10.066 3.578 499 H HIS 62 HN HIS 62 -18.598 -12.794 -2.061 500 HA HIS 62 HA HIS 62 -17.354 -11.267 -4.145 501 HB2 HIS 62 HB2 HIS 62 -16.838 -13.660 -3.654 502 HB3 HIS 62 HB1 HIS 62 -18.425 -14.099 -4.285 503 HD1 HIS 62 HD1 HIS 62 -18.866 -13.441 -6.862 504 HD2 HIS 62 HD2 HIS 62 -14.888 -13.323 -5.620 505 HE1 HIS 62 HE1 HIS 62 -17.458 -13.403 -8.968 506 H LYS 63 HN LYS 63 -20.576 -12.731 -3.853 507 HA LYS 63 HA LYS 63 -21.443 -12.118 -6.523 508 HB2 LYS 63 HB2 LYS 63 -22.606 -13.725 -4.993 509 HB3 LYS 63 HB1 LYS 63 -23.151 -12.349 -4.031 510 HG2 LYS 63 HG2 LYS 63 -24.334 -11.422 -5.948 511 HG3 LYS 63 HG1 LYS 63 -23.735 -12.718 -6.981 512 HD2 LYS 63 HD2 LYS 63 -24.939 -14.374 -5.586 513 HD3 LYS 63 HD1 LYS 63 -25.555 -13.062 -4.578 514 HE2 LYS 63 HE2 LYS 63 -26.682 -12.072 -6.533 515 HE3 LYS 63 HE1 LYS 63 -26.053 -13.362 -7.557 516 HZ1 LYS 63 HZ1 LYS 63 -28.194 -14.040 -6.990 517 HZ2 LYS 63 HZ2 LYS 63 -28.033 -13.553 -5.371 518 HZ3 LYS 63 HZ3 LYS 63 -27.199 -14.920 -5.936 519 H SER 64 HN SER 64 -21.602 -10.311 -3.485 520 HA SER 64 HA SER 64 -23.105 -8.107 -4.672 521 HB2 SER 64 HB2 SER 64 -21.542 -8.054 -2.085 522 HB3 SER 64 HB1 SER 64 -22.930 -7.064 -2.527 523 HG SER 64 HG SER 64 -23.130 -9.146 -1.162 524 H ASN 65 HN ASN 65 -19.997 -9.116 -5.054 525 HA ASN 65 HA ASN 65 -18.113 -8.099 -5.996 526 HB2 ASN 65 HB2 ASN 65 -19.983 -6.853 -7.303 527 HB3 ASN 65 HB1 ASN 65 -19.665 -5.513 -6.204 528 HD21 ASN 65 HD21 ASN 65 -19.004 -4.531 -8.446 529 HD22 ASN 65 HD22 ASN 65 -17.379 -4.726 -8.894 530 H ILE 66 HN ILE 66 -18.456 -8.144 -3.174 531 HA ILE 66 HA ILE 66 -17.039 -5.619 -2.381 532 HB ILE 66 HB ILE 66 -18.866 -7.365 -0.710 533 HG12 ILE 66 HG12 ILE 66 -19.147 -4.478 -1.597 534 HG13 ILE 66 HG11 ILE 66 -19.910 -5.831 -2.430 535 HG21 ILE 66 HG21 ILE 66 -18.495 -5.333 0.894 536 HG22 ILE 66 HG22 ILE 66 -17.049 -5.034 -0.069 537 HG23 ILE 66 HG23 ILE 66 -17.233 -6.557 0.798 538 HD11 ILE 66 HD11 ILE 66 -21.040 -6.452 -0.289 539 HD12 ILE 66 HD12 ILE 66 -21.512 -4.859 -0.883 540 HD13 ILE 66 HD13 ILE 66 -20.361 -5.000 0.446 541 H TYR 67 HN TYR 67 -15.043 -5.884 -1.598 542 HA TYR 67 HA TYR 67 -14.184 -8.620 -0.712 543 HB2 TYR 67 HB2 TYR 67 -12.698 -6.645 -2.454 544 HB3 TYR 67 HB1 TYR 67 -11.980 -8.105 -1.763 545 HD1 TYR 67 HD1 TYR 67 -12.760 -10.345 -2.445 546 HD2 TYR 67 HD2 TYR 67 -14.317 -6.777 -4.260 547 HE1 TYR 67 HE1 TYR 67 -13.725 -11.702 -4.282 548 HE2 TYR 67 HE2 TYR 67 -15.279 -8.134 -6.098 549 HH TYR 67 HH TYR 67 -15.813 -11.289 -5.966 550 HA PRO 68 HA PRO 68 -13.019 -5.623 2.563 551 HB2 PRO 68 HB2 PRO 68 -13.765 -7.098 4.712 552 HB3 PRO 68 HB1 PRO 68 -14.932 -6.166 3.752 553 HG2 PRO 68 HG2 PRO 68 -14.410 -9.092 3.767 554 HG3 PRO 68 HG1 PRO 68 -15.924 -8.214 3.494 555 HD2 PRO 68 HD2 PRO 68 -14.270 -9.306 1.481 556 HD3 PRO 68 HD1 PRO 68 -15.577 -8.133 1.221 557 H PHE 69 HN PHE 69 -11.047 -5.563 3.698 558 HA PHE 69 HA PHE 69 -9.665 -8.109 4.266 559 HB2 PHE 69 HB2 PHE 69 -7.693 -7.560 2.941 560 HB3 PHE 69 HB1 PHE 69 -9.112 -7.616 1.893 561 HD1 PHE 69 HD2 PHE 69 -6.645 -5.416 3.521 562 HD2 PHE 69 HD1 PHE 69 -10.044 -5.601 0.905 563 HE1 PHE 69 HE2 PHE 69 -6.199 -3.091 2.782 564 HE2 PHE 69 HE1 PHE 69 -9.599 -3.276 0.164 565 HZ PHE 69 HZ PHE 69 -7.675 -2.021 1.101 566 H ILE 70 HN ILE 70 -7.613 -7.750 5.420 567 HA ILE 70 HA ILE 70 -7.461 -5.105 6.811 568 HB ILE 70 HB ILE 70 -7.242 -7.846 8.089 569 HG12 ILE 70 HG12 ILE 70 -9.254 -5.633 8.575 570 HG13 ILE 70 HG11 ILE 70 -9.563 -7.011 7.524 571 HG21 ILE 70 HG21 ILE 70 -6.764 -5.032 9.095 572 HG22 ILE 70 HG22 ILE 70 -5.696 -6.430 9.209 573 HG23 ILE 70 HG23 ILE 70 -7.153 -6.352 10.197 574 HD11 ILE 70 HD11 ILE 70 -9.322 -8.559 9.352 575 HD12 ILE 70 HD12 ILE 70 -10.412 -7.285 9.894 576 HD13 ILE 70 HD13 ILE 70 -8.731 -7.288 10.422 577 H LEU 71 HN LEU 71 -5.345 -4.492 7.393 578 HA LEU 71 HA LEU 71 -3.182 -6.021 6.003 579 HB2 LEU 71 HB2 LEU 71 -3.110 -3.210 7.128 580 HB3 LEU 71 HB1 LEU 71 -1.939 -3.946 6.033 581 HG LEU 71 HG LEU 71 -4.837 -3.291 5.426 582 HD11 LEU 71 HD11 LEU 71 -2.344 -2.318 4.026 583 HD12 LEU 71 HD12 LEU 71 -3.026 -1.465 5.410 584 HD13 LEU 71 HD13 LEU 71 -3.975 -1.653 3.935 585 HD21 LEU 71 HD21 LEU 71 -4.439 -5.307 4.247 586 HD22 LEU 71 HD22 LEU 71 -2.762 -4.879 3.908 587 HD23 LEU 71 HD23 LEU 71 -4.074 -4.053 3.069 588 H TYR 72 HN TYR 72 -1.487 -6.843 7.118 589 HA TYR 72 HA TYR 72 -1.339 -6.314 10.056 590 HB2 TYR 72 HB2 TYR 72 -1.197 -8.970 8.627 591 HB3 TYR 72 HB1 TYR 72 -0.727 -8.738 10.313 592 HD1 TYR 72 HD1 TYR 72 -2.463 -7.607 11.871 593 HD2 TYR 72 HD2 TYR 72 -3.460 -9.392 8.094 594 HE1 TYR 72 HE1 TYR 72 -4.832 -7.779 12.580 595 HE2 TYR 72 HE2 TYR 72 -5.830 -9.567 8.804 596 HH TYR 72 HH TYR 72 -6.887 -9.546 11.705 597 H TYR 73 HN TYR 73 0.664 -6.048 10.858 598 HA TYR 73 HA TYR 73 3.008 -6.705 9.149 599 HB2 TYR 73 HB2 TYR 73 2.492 -4.363 8.666 600 HB3 TYR 73 HB1 TYR 73 2.461 -3.997 10.392 601 HD1 TYR 73 HD2 TYR 73 4.654 -5.337 7.684 602 HD2 TYR 73 HD1 TYR 73 4.454 -3.455 11.539 603 HE1 TYR 73 HE2 TYR 73 7.113 -5.012 7.653 604 HE2 TYR 73 HE1 TYR 73 6.911 -3.130 11.509 605 HH TYR 73 HH TYR 73 8.717 -2.999 9.194 606 H GLN 74 HN GLN 74 4.242 -7.948 10.383 607 HA GLN 74 HA GLN 74 5.252 -8.900 12.255 608 HB2 GLN 74 HB2 GLN 74 6.381 -6.629 12.074 609 HB3 GLN 74 HB1 GLN 74 5.297 -6.084 13.355 610 HG2 GLN 74 HG2 GLN 74 6.120 -7.890 14.825 611 HG3 GLN 74 HG1 GLN 74 7.195 -8.444 13.541 612 HE21 GLN 74 HE21 GLN 74 9.254 -7.897 14.345 613 HE22 GLN 74 HE22 GLN 74 9.699 -6.333 14.834 614 H LYS 75 HN LYS 75 2.800 -9.560 12.475 615 HA LYS 75 HA LYS 75 0.996 -10.016 13.885 616 HB2 LYS 75 HB2 LYS 75 3.109 -10.905 15.120 617 HB3 LYS 75 HB1 LYS 75 2.888 -9.519 16.187 618 HG2 LYS 75 HG2 LYS 75 0.633 -10.261 16.753 619 HG3 LYS 75 HG1 LYS 75 0.743 -11.579 15.589 620 HD2 LYS 75 HD2 LYS 75 2.565 -12.599 16.870 621 HD3 LYS 75 HD1 LYS 75 2.540 -11.254 18.012 622 HE2 LYS 75 HE2 LYS 75 1.280 -13.146 18.933 623 HE3 LYS 75 HE1 LYS 75 0.186 -11.810 18.580 624 HZ1 LYS 75 HZ1 LYS 75 -0.963 -13.364 17.480 625 HZ2 LYS 75 HZ2 LYS 75 0.359 -14.424 17.363 626 HZ3 LYS 75 HZ3 LYS 75 0.189 -13.147 16.256 627 H GLN 76 HN GLN 76 1.104 -7.311 13.060 628 HA GLN 76 HA GLN 76 -0.433 -6.102 15.265 629 HB2 GLN 76 HB2 GLN 76 1.958 -5.390 15.624 630 HB3 GLN 76 HB1 GLN 76 1.903 -4.601 14.048 631 HG2 GLN 76 HG2 GLN 76 1.404 -2.931 15.727 632 HG3 GLN 76 HG1 GLN 76 -0.091 -3.288 14.863 633 HE21 GLN 76 HE21 GLN 76 1.656 -4.822 17.639 634 HE22 GLN 76 HE22 GLN 76 0.280 -4.923 18.629 635 H LEU 77 HN LEU 77 -2.228 -5.276 14.354 636 HA LEU 77 HA LEU 77 -2.535 -5.067 11.505 637 HB2 LEU 77 HB2 LEU 77 -4.772 -4.437 11.932 638 HB3 LEU 77 HB1 LEU 77 -4.337 -5.567 13.209 639 HG LEU 77 HG LEU 77 -3.612 -3.180 14.384 640 HD11 LEU 77 HD11 LEU 77 -6.076 -2.629 12.692 641 HD12 LEU 77 HD12 LEU 77 -4.518 -1.820 12.542 642 HD13 LEU 77 HD13 LEU 77 -5.488 -1.592 13.995 643 HD21 LEU 77 HD21 LEU 77 -5.919 -3.329 15.506 644 HD22 LEU 77 HD22 LEU 77 -4.920 -4.780 15.572 645 HD23 LEU 77 HD23 LEU 77 -6.241 -4.676 14.412 646 H ILE 78 HN ILE 78 -2.461 -3.331 10.156 647 HA ILE 78 HA ILE 78 -1.440 -0.762 11.307 648 HB ILE 78 HB ILE 78 -1.286 -1.827 8.480 649 HG12 ILE 78 HG12 ILE 78 0.097 -3.180 9.952 650 HG13 ILE 78 HG11 ILE 78 1.141 -2.123 9.008 651 HG21 ILE 78 HG21 ILE 78 0.495 0.029 8.360 652 HG22 ILE 78 HG22 ILE 78 -0.232 0.656 9.839 653 HG23 ILE 78 HG23 ILE 78 -1.193 0.537 8.364 654 HD11 ILE 78 HD11 ILE 78 2.030 -1.846 11.147 655 HD12 ILE 78 HD12 ILE 78 0.457 -1.991 11.929 656 HD13 ILE 78 HD13 ILE 78 0.891 -0.506 11.086 657 H ALA 79 HN ALA 79 -3.779 -2.085 8.943 658 HA ALA 79 HA ALA 79 -5.524 0.213 9.481 659 HB1 ALA 79 HB1 ALA 79 -5.567 1.102 7.257 660 HB2 ALA 79 HB2 ALA 79 -4.543 -0.198 6.653 661 HB3 ALA 79 HB3 ALA 79 -3.873 1.018 7.740 662 H ILE 80 HN ILE 80 -7.580 0.049 8.301 663 HA ILE 80 HA ILE 80 -8.222 -2.725 7.370 664 HB ILE 80 HB ILE 80 -9.835 -0.996 9.269 665 HG12 ILE 80 HG12 ILE 80 -8.595 -3.721 9.715 666 HG13 ILE 80 HG11 ILE 80 -7.815 -2.215 10.190 667 HG21 ILE 80 HG21 ILE 80 -10.408 -3.690 8.007 668 HG22 ILE 80 HG22 ILE 80 -11.330 -2.203 7.789 669 HG23 ILE 80 HG23 ILE 80 -11.324 -3.014 9.352 670 HD11 ILE 80 HD11 ILE 80 -9.221 -3.450 11.975 671 HD12 ILE 80 HD12 ILE 80 -10.624 -2.864 11.083 672 HD13 ILE 80 HD13 ILE 80 -9.483 -1.718 11.786 673 H GLY 81 HN GLY 81 -9.815 -2.791 5.720 674 HA2 GLY 81 HA2 GLY 81 -11.414 -0.515 4.992 675 HA3 GLY 81 HA1 GLY 81 -9.980 -0.584 3.966 676 H PHE 82 HN PHE 82 -12.428 -0.878 2.786 677 HA PHE 82 HA PHE 82 -12.259 -3.648 1.784 678 HB2 PHE 82 HB2 PHE 82 -14.682 -4.034 2.053 679 HB3 PHE 82 HB1 PHE 82 -13.924 -3.765 3.623 680 HD1 PHE 82 HD2 PHE 82 -14.277 -1.694 4.866 681 HD2 PHE 82 HD1 PHE 82 -16.155 -2.347 1.058 682 HE1 PHE 82 HE2 PHE 82 -15.810 0.207 5.296 683 HE2 PHE 82 HE1 PHE 82 -17.691 -0.447 1.492 684 HZ PHE 82 HZ PHE 82 -17.517 0.830 3.610 685 H ILE 83 HN ILE 83 -13.368 -3.895 -0.279 686 HA ILE 83 HA ILE 83 -13.599 -1.283 -1.719 687 HB ILE 83 HB ILE 83 -13.240 -4.088 -2.806 688 HG12 ILE 83 HG12 ILE 83 -11.245 -1.808 -2.609 689 HG13 ILE 83 HG11 ILE 83 -11.306 -3.156 -1.473 690 HG21 ILE 83 HG21 ILE 83 -14.356 -2.617 -4.398 691 HG22 ILE 83 HG22 ILE 83 -12.679 -2.831 -4.899 692 HG23 ILE 83 HG23 ILE 83 -13.174 -1.344 -4.092 693 HD11 ILE 83 HD11 ILE 83 -10.931 -3.448 -4.468 694 HD12 ILE 83 HD12 ILE 83 -10.880 -4.745 -3.276 695 HD13 ILE 83 HD13 ILE 83 -9.627 -3.505 -3.283 696 H ASP 84 HN ASP 84 -15.589 -0.609 -2.248 697 HA ASP 84 HA ASP 84 -17.869 -2.497 -2.028 698 HB2 ASP 84 HB2 ASP 84 -19.262 -0.478 -2.036 699 HB3 ASP 84 HB1 ASP 84 -17.989 -0.343 -0.827 700 H GLU 85 HN GLU 85 -19.719 -1.650 -3.673 701 HA GLU 85 HA GLU 85 -19.053 -2.660 -6.233 702 HB2 GLU 85 HB2 GLU 85 -21.287 -0.816 -5.351 703 HB3 GLU 85 HB1 GLU 85 -21.218 -1.578 -6.940 704 HG2 GLU 85 HG2 GLU 85 -21.233 -3.795 -5.910 705 HG3 GLU 85 HG1 GLU 85 -21.201 -3.072 -4.302 706 H ASN 86 HN ASN 86 -18.432 0.454 -4.900 707 HA ASN 86 HA ASN 86 -18.232 1.757 -7.553 708 HB2 ASN 86 HB2 ASN 86 -17.689 2.760 -4.741 709 HB3 ASN 86 HB1 ASN 86 -17.555 3.753 -6.194 710 HD21 ASN 86 HD21 ASN 86 -19.614 3.430 -3.735 711 HD22 ASN 86 HD22 ASN 86 -21.109 3.588 -4.527 712 H HIS 87 HN HIS 87 -16.408 -0.448 -6.135 713 HA HIS 87 HA HIS 87 -14.138 -1.025 -6.194 714 HB2 HIS 87 HB2 HIS 87 -14.302 0.944 -8.487 715 HB3 HIS 87 HB1 HIS 87 -12.841 0.033 -8.115 716 HD1 HIS 87 HD1 HIS 87 -16.442 -0.469 -9.169 717 HD2 HIS 87 HD2 HIS 87 -12.912 -2.668 -8.884 718 HE1 HIS 87 HE1 HIS 87 -16.885 -2.687 -10.311 719 H ASP 88 HN ASP 88 -15.162 1.762 -4.966 720 HA ASP 88 HA ASP 88 -12.613 3.189 -4.727 721 HB2 ASP 88 HB2 ASP 88 -14.754 4.409 -4.777 722 HB3 ASP 88 HB1 ASP 88 -15.251 3.600 -3.292 723 H MET 89 HN MET 89 -11.073 2.583 -3.312 724 HA MET 89 HA MET 89 -11.409 0.525 -1.364 725 HB2 MET 89 HB2 MET 89 -9.311 2.703 -1.596 726 HB3 MET 89 HB1 MET 89 -9.185 1.316 -0.513 727 HG2 MET 89 HG2 MET 89 -7.997 0.599 -2.413 728 HG3 MET 89 HG1 MET 89 -9.592 -0.103 -2.676 729 HE1 MET 89 HE1 MET 89 -6.974 1.063 -4.792 730 HE2 MET 89 HE2 MET 89 -8.092 0.986 -6.152 731 HE3 MET 89 HE3 MET 89 -8.128 -0.272 -4.919 732 H ASP 90 HN ASP 90 -13.174 1.021 -0.019 733 HA ASP 90 HA ASP 90 -13.400 3.558 1.367 734 HB2 ASP 90 HB2 ASP 90 -14.746 0.869 1.604 735 HB3 ASP 90 HB1 ASP 90 -15.053 2.127 2.800 736 H PHE 91 HN PHE 91 -12.688 4.097 3.399 737 HA PHE 91 HA PHE 91 -10.976 2.080 4.818 738 HB2 PHE 91 HB2 PHE 91 -10.754 5.082 4.548 739 HB3 PHE 91 HB1 PHE 91 -9.828 4.156 5.733 740 HD1 PHE 91 HD1 PHE 91 -8.184 2.467 5.008 741 HD2 PHE 91 HD2 PHE 91 -10.272 4.929 2.176 742 HE1 PHE 91 HE1 PHE 91 -6.561 1.818 3.250 743 HE2 PHE 91 HE2 PHE 91 -8.647 4.284 0.417 744 HZ PHE 91 HZ PHE 91 -6.792 2.728 0.954 745 H LEU 92 HN LEU 92 -11.652 1.506 6.778 746 HA LEU 92 HA LEU 92 -13.775 3.132 8.113 747 HB2 LEU 92 HB2 LEU 92 -14.299 0.755 7.555 748 HB3 LEU 92 HB1 LEU 92 -12.944 0.252 8.564 749 HG LEU 92 HG LEU 92 -14.017 1.367 10.517 750 HD11 LEU 92 HD11 LEU 92 -16.601 1.788 10.062 751 HD12 LEU 92 HD12 LEU 92 -16.051 2.062 8.411 752 HD13 LEU 92 HD13 LEU 92 -15.423 3.053 9.727 753 HD21 LEU 92 HD21 LEU 92 -14.405 -0.969 10.352 754 HD22 LEU 92 HD22 LEU 92 -15.512 -0.774 8.994 755 HD23 LEU 92 HD23 LEU 92 -16.002 -0.272 10.612 756 H TYR 93 HN TYR 93 -10.563 1.729 8.527 757 HA TYR 93 HA TYR 93 -10.159 3.479 10.869 758 HB2 TYR 93 HB2 TYR 93 -11.065 1.412 11.874 759 HB3 TYR 93 HB1 TYR 93 -9.820 0.469 11.061 760 HD1 TYR 93 HD1 TYR 93 -10.444 3.056 13.639 761 HD2 TYR 93 HD2 TYR 93 -7.559 0.406 11.879 762 HE1 TYR 93 HE1 TYR 93 -8.891 3.498 15.520 763 HE2 TYR 93 HE2 TYR 93 -6.004 0.850 13.759 764 HH TYR 93 HH TYR 93 -6.446 1.657 16.354 765 H LEU 94 HN LEU 94 -8.406 4.518 10.085 766 HA LEU 94 HA LEU 94 -6.226 2.912 8.809 767 HB2 LEU 94 HB2 LEU 94 -7.122 4.647 7.362 768 HB3 LEU 94 HB1 LEU 94 -6.920 5.856 8.627 769 HG LEU 94 HG LEU 94 -4.489 5.608 8.535 770 HD11 LEU 94 HD11 LEU 94 -4.069 3.345 8.050 771 HD12 LEU 94 HD12 LEU 94 -3.626 4.144 6.546 772 HD13 LEU 94 HD13 LEU 94 -5.182 3.331 6.682 773 HD21 LEU 94 HD21 LEU 94 -5.319 7.225 6.991 774 HD22 LEU 94 HD22 LEU 94 -5.894 5.980 5.881 775 HD23 LEU 94 HD23 LEU 94 -4.164 6.255 6.076 776 H HIS 95 HN HIS 95 -4.396 2.652 9.957 777 HA HIS 95 HA HIS 95 -3.650 4.706 11.985 778 HB2 HIS 95 HB2 HIS 95 -4.741 2.763 13.117 779 HB3 HIS 95 HB1 HIS 95 -3.486 1.720 12.445 780 HD1 HIS 95 HD1 HIS 95 -0.986 3.363 12.837 781 HD2 HIS 95 HD2 HIS 95 -3.959 3.119 15.750 782 HE1 HIS 95 HE1 HIS 95 0.120 3.965 15.036 783 H ASN 96 HN ASN 96 -1.796 5.506 11.224 784 HA ASN 96 HA ASN 96 -0.003 3.924 9.547 785 HB2 ASN 96 HB2 ASN 96 -0.475 6.426 9.330 786 HB3 ASN 96 HB1 ASN 96 0.543 6.641 10.753 787 HD21 ASN 96 HD21 ASN 96 2.168 7.794 9.440 788 HD22 ASN 96 HD22 ASN 96 3.180 6.944 8.376 789 H THR 97 HN THR 97 2.384 3.883 10.109 790 HA THR 97 HA THR 97 2.823 2.500 12.568 791 HB THR 97 HB THR 97 5.241 2.765 11.985 792 HG1 THR 97 HG1 THR 97 4.437 4.101 9.660 793 HG21 THR 97 HG21 THR 97 3.693 1.059 10.894 794 HG22 THR 97 HG22 THR 97 5.146 1.462 9.980 795 HG23 THR 97 HG23 THR 97 3.593 2.161 9.521 796 H VAL 98 HN VAL 98 3.090 5.885 11.684 797 HA VAL 98 HA VAL 98 4.410 6.608 14.217 798 HB VAL 98 HB VAL 98 3.245 8.329 12.014 799 HG11 VAL 98 HG11 VAL 98 4.810 10.047 13.031 800 HG12 VAL 98 HG12 VAL 98 4.991 8.958 14.406 801 HG13 VAL 98 HG13 VAL 98 3.409 9.636 14.019 802 HG21 VAL 98 HG21 VAL 98 6.124 7.552 12.562 803 HG22 VAL 98 HG22 VAL 98 5.541 8.549 11.230 804 HG23 VAL 98 HG23 VAL 98 5.116 6.839 11.300 805 H MET 99 HN MET 99 1.488 7.977 12.688 806 HA MET 99 HA MET 99 -0.034 7.498 15.183 807 HB2 MET 99 HB2 MET 99 -0.698 9.893 15.330 808 HB3 MET 99 HB1 MET 99 1.029 9.668 15.596 809 HG2 MET 99 HG2 MET 99 1.292 10.114 13.068 810 HG3 MET 99 HG1 MET 99 -0.363 10.721 13.133 811 HE1 MET 99 HE1 MET 99 -1.064 12.352 15.273 812 HE2 MET 99 HE2 MET 99 -0.981 12.962 13.621 813 HE3 MET 99 HE3 MET 99 -0.330 13.928 14.942 814 HA PRO 100 HA PRO 100 -3.241 6.969 12.140 815 HB2 PRO 100 HB2 PRO 100 -5.487 7.340 13.680 816 HB3 PRO 100 HB1 PRO 100 -4.475 5.887 13.774 817 HG2 PRO 100 HG2 PRO 100 -4.503 8.278 15.559 818 HG3 PRO 100 HG1 PRO 100 -4.382 6.559 15.980 819 HD2 PRO 100 HD2 PRO 100 -2.199 8.198 15.904 820 HD3 PRO 100 HD1 PRO 100 -2.104 6.466 15.519 821 H LEU 101 HN LEU 101 -4.585 8.167 10.771 822 HA LEU 101 HA LEU 101 -4.553 11.121 11.200 823 HB2 LEU 101 HB2 LEU 101 -5.196 9.507 8.715 824 HB3 LEU 101 HB1 LEU 101 -4.978 11.255 8.794 825 HG LEU 101 HG LEU 101 -2.856 9.191 9.464 826 HD11 LEU 101 HD11 LEU 101 -1.773 10.180 7.381 827 HD12 LEU 101 HD12 LEU 101 -3.328 10.936 7.035 828 HD13 LEU 101 HD13 LEU 101 -3.195 9.178 7.093 829 HD21 LEU 101 HD21 LEU 101 -1.423 11.387 9.247 830 HD22 LEU 101 HD22 LEU 101 -2.292 11.079 10.747 831 HD23 LEU 101 HD23 LEU 101 -2.953 12.206 9.563 832 H LEU 102 HN LEU 102 -6.614 8.384 11.276 833 HA LEU 102 HA LEU 102 -9.013 10.170 11.479 834 HB2 LEU 102 HB2 LEU 102 -8.835 7.507 10.042 835 HB3 LEU 102 HB1 LEU 102 -10.329 8.396 10.325 836 HG LEU 102 HG LEU 102 -7.944 9.475 8.795 837 HD11 LEU 102 HD11 LEU 102 -8.956 7.604 7.589 838 HD12 LEU 102 HD12 LEU 102 -9.376 9.119 6.789 839 HD13 LEU 102 HD13 LEU 102 -10.562 8.302 7.805 840 HD21 LEU 102 HD21 LEU 102 -9.926 11.041 7.982 841 HD22 LEU 102 HD22 LEU 102 -9.111 11.378 9.504 842 HD23 LEU 102 HD23 LEU 102 -10.669 10.555 9.506 843 H ASP 103 HN ASP 103 -8.930 6.664 11.613 844 HA ASP 103 HA ASP 103 -9.520 5.193 13.323 845 HB2 ASP 103 HB2 ASP 103 -7.922 7.287 14.815 846 HB3 ASP 103 HB1 ASP 103 -8.651 5.923 15.661 847 H GLN 104 HN GLN 104 -11.488 7.066 12.483 848 HA GLN 104 HA GLN 104 -12.774 8.289 14.758 849 HB2 GLN 104 HB2 GLN 104 -13.808 7.541 12.012 850 HB3 GLN 104 HB1 GLN 104 -14.741 8.462 13.193 851 HG2 GLN 104 HG2 GLN 104 -12.005 9.285 12.180 852 HG3 GLN 104 HG1 GLN 104 -13.524 9.905 11.532 853 HE21 GLN 104 HE21 GLN 104 -14.732 11.420 12.835 854 HE22 GLN 104 HE22 GLN 104 -14.105 12.085 14.265 855 H ARG 105 HN ARG 105 -13.677 7.207 16.366 856 HA ARG 105 HA ARG 105 -14.376 4.410 16.224 857 HB2 ARG 105 HB2 ARG 105 -13.702 5.706 18.313 858 HB3 ARG 105 HB1 ARG 105 -15.304 6.436 18.268 859 HG2 ARG 105 HG2 ARG 105 -15.695 4.637 19.696 860 HG3 ARG 105 HG1 ARG 105 -16.133 3.927 18.143 861 HD2 ARG 105 HD2 ARG 105 -13.823 2.993 17.961 862 HD3 ARG 105 HD1 ARG 105 -13.460 3.646 19.556 863 HE ARG 105 HE ARG 105 -15.796 2.049 19.775 864 HH11 ARG 105 HH21 ARG 105 -12.422 1.812 19.087 865 HH12 ARG 105 HH22 ARG 105 -12.286 0.190 19.681 866 HH21 ARG 105 HH11 ARG 105 -15.634 -0.053 20.543 867 HH22 ARG 105 HH12 ARG 105 -14.106 -0.866 20.505 868 H TYR 106 HN TYR 106 -16.175 7.446 16.057 869 HA TYR 106 HA TYR 106 -18.822 6.492 16.195 870 HB2 TYR 106 HB2 TYR 106 -17.964 8.622 14.228 871 HB3 TYR 106 HB1 TYR 106 -19.458 8.534 15.162 872 HD1 TYR 106 HD1 TYR 106 -19.401 8.941 17.635 873 HD2 TYR 106 HD2 TYR 106 -15.969 9.570 15.130 874 HE1 TYR 106 HE1 TYR 106 -18.350 10.307 19.418 875 HE2 TYR 106 HE2 TYR 106 -14.915 10.935 16.911 876 HH TYR 106 HH TYR 106 -16.501 12.265 19.391 877 H LEU 107 HN LEU 107 -16.793 6.912 13.296 878 HA LEU 107 HA LEU 107 -18.710 5.722 11.495 879 HB2 LEU 107 HB2 LEU 107 -15.710 5.956 11.143 880 HB3 LEU 107 HB1 LEU 107 -16.914 5.786 9.865 881 HG LEU 107 HG LEU 107 -16.710 8.126 11.788 882 HD11 LEU 107 HD11 LEU 107 -15.822 9.392 9.975 883 HD12 LEU 107 HD12 LEU 107 -16.210 8.131 8.805 884 HD13 LEU 107 HD13 LEU 107 -14.913 7.880 9.973 885 HD21 LEU 107 HD21 LEU 107 -18.643 7.390 9.587 886 HD22 LEU 107 HD22 LEU 107 -18.344 9.084 9.974 887 HD23 LEU 107 HD23 LEU 107 -18.988 8.002 11.206 888 H LEU 108 HN LEU 108 -16.121 4.474 13.501 889 HA LEU 108 HA LEU 108 -15.836 1.933 12.247 890 HB2 LEU 108 HB2 LEU 108 -14.528 3.142 14.250 891 HB3 LEU 108 HB1 LEU 108 -15.588 2.131 15.228 892 HG LEU 108 HG LEU 108 -13.696 1.191 13.056 893 HD11 LEU 108 HD11 LEU 108 -12.719 -0.068 15.036 894 HD12 LEU 108 HD12 LEU 108 -13.705 0.960 16.071 895 HD13 LEU 108 HD13 LEU 108 -12.465 1.675 15.038 896 HD21 LEU 108 HD21 LEU 108 -15.522 -0.291 12.904 897 HD22 LEU 108 HD22 LEU 108 -15.842 -0.227 14.636 898 HD23 LEU 108 HD23 LEU 108 -14.440 -1.107 14.030 899 H THR 109 HN THR 109 -17.976 2.972 14.905 900 HA THR 109 HA THR 109 -19.724 0.605 14.330 901 HB THR 109 HB THR 109 -20.081 0.279 16.719 902 HG1 THR 109 HG1 THR 109 -18.095 2.198 17.237 903 HG21 THR 109 HG21 THR 109 -17.976 -0.659 15.508 904 HG22 THR 109 HG22 THR 109 -18.014 -0.703 17.271 905 HG23 THR 109 HG23 THR 109 -17.094 0.551 16.442 906 H GLY 110 HN GLY 110 -19.402 3.845 15.715 907 HA2 GLY 110 HA2 GLY 110 -20.958 5.587 15.919 908 HA3 GLY 110 HA1 GLY 110 -21.750 4.870 14.519 909 H GLY 111 HN GLY 111 -23.868 4.719 15.008 910 HA2 GLY 111 HA2 GLY 111 -25.787 3.817 16.051 911 HA3 GLY 111 HA1 GLY 111 -24.741 3.032 17.233 912 H GLN 112 HN GLN 112 -24.488 6.452 16.568 913 HA GLN 112 HA GLN 112 -24.475 7.369 19.170 914 HB2 GLN 112 HB2 GLN 112 -25.681 8.687 16.727 915 HB3 GLN 112 HB1 GLN 112 -25.427 9.527 18.257 916 HG2 GLN 112 HG2 GLN 112 -23.487 10.008 16.971 917 HG3 GLN 112 HG1 GLN 112 -22.979 8.745 18.090 918 HE21 GLN 112 HE21 GLN 112 -23.533 9.495 14.711 919 HE22 GLN 112 HE22 GLN 112 -23.021 7.997 14.097 920 H LEU 113 HN LEU 113 -26.097 8.430 20.511 921 HA LEU 113 HA LEU 113 -28.475 6.815 20.793 922 HB2 LEU 113 HB2 LEU 113 -27.329 7.743 22.746 923 HB3 LEU 113 HB1 LEU 113 -27.633 9.380 22.173 924 HG LEU 113 HG LEU 113 -30.055 9.040 22.399 925 HD11 LEU 113 HD11 LEU 113 -30.477 6.776 21.960 926 HD12 LEU 113 HD12 LEU 113 -30.697 6.852 23.706 927 HD13 LEU 113 HD13 LEU 113 -29.193 6.222 23.034 928 HD21 LEU 113 HD21 LEU 113 -28.674 8.082 24.922 929 HD22 LEU 113 HD22 LEU 113 -30.167 9.015 24.803 930 HD23 LEU 113 HD23 LEU 113 -28.627 9.756 24.367 931 H GLU 114 HN GLU 114 -30.488 7.192 20.013 932 HA GLU 114 HA GLU 114 -30.993 9.777 18.584 933 HB2 GLU 114 HB2 GLU 114 -31.053 7.722 17.196 934 HB3 GLU 114 HB1 GLU 114 -32.337 7.088 18.228 935 HG2 GLU 114 HG2 GLU 114 -33.782 8.970 17.642 936 HG3 GLU 114 HG1 GLU 114 -32.491 9.690 16.682 937 H HIS 115 HN HIS 115 -32.463 11.108 19.478 938 HA HIS 115 HA HIS 115 -34.019 10.224 21.807 939 HB2 HIS 115 HB2 HIS 115 -33.873 12.896 20.378 940 HB3 HIS 115 HB1 HIS 115 -34.717 12.608 21.901 941 HD1 HIS 115 HD1 HIS 115 -33.107 11.599 23.886 942 HD2 HIS 115 HD2 HIS 115 -31.184 13.497 20.709 943 HE1 HIS 115 HE1 HIS 115 -30.769 12.150 24.690 944 H HIS 116 HN HIS 116 -35.915 9.215 21.504 945 HA HIS 116 HA HIS 116 -37.393 9.215 19.036 946 HB2 HIS 116 HB2 HIS 116 -38.148 8.411 21.856 947 HB3 HIS 116 HB1 HIS 116 -39.167 8.112 20.449 948 HD1 HIS 116 HD1 HIS 116 -37.949 6.649 18.485 949 HD2 HIS 116 HD2 HIS 116 -36.229 6.456 22.277 950 HE1 HIS 116 HE1 HIS 116 -36.457 4.605 18.490 951 H HIS 117 HN HIS 117 -37.803 10.966 22.112 952 HA HIS 117 HA HIS 117 -39.369 13.023 20.696 953 HB2 HIS 117 HB2 HIS 117 -41.299 12.884 22.191 954 HB3 HIS 117 HB1 HIS 117 -41.078 11.352 21.351 955 HD1 HIS 117 HD1 HIS 117 -42.573 11.457 24.052 956 HD2 HIS 117 HD2 HIS 117 -38.494 10.668 23.714 957 HE1 HIS 117 HE1 HIS 117 -41.915 10.177 26.134 958 H HIS 118 HN HIS 118 -39.850 14.897 22.179 959 HA HIS 118 HA HIS 118 -37.632 15.215 24.161 960 HB2 HIS 118 HB2 HIS 118 -39.285 17.240 22.633 961 HB3 HIS 118 HB1 HIS 118 -38.090 17.665 23.857 962 HD1 HIS 118 HD1 HIS 118 -38.420 16.439 20.338 963 HD2 HIS 118 HD2 HIS 118 -35.366 17.143 23.089 964 HE1 HIS 118 HE1 HIS 118 -36.248 16.391 19.030 965 H HIS 119 HN HIS 119 -38.148 15.318 26.280 966 HA HIS 119 HA HIS 119 -40.949 15.215 27.108 967 HB2 HIS 119 HB2 HIS 119 -40.042 14.916 29.364 968 HB3 HIS 119 HB1 HIS 119 -39.212 13.855 28.229 969 HD1 HIS 119 HD1 HIS 119 -36.737 14.390 27.666 970 HD2 HIS 119 HD2 HIS 119 -38.431 17.020 30.421 971 HE1 HIS 119 HE1 HIS 119 -34.822 15.711 28.669 972 H HIS 120 HN HIS 120 -42.095 16.797 28.153 973 HA HIS 120 HA HIS 120 -41.418 19.538 27.700 974 HB2 HIS 120 HB2 HIS 120 -43.413 18.305 29.621 975 HB3 HIS 120 HB1 HIS 120 -43.378 20.006 29.153 976 HD1 HIS 120 HD1 HIS 120 -43.596 20.410 26.447 977 HD2 HIS 120 HD2 HIS 120 -44.890 16.719 27.888 978 HE1 HIS 120 HE1 HIS 120 -45.071 19.416 24.645
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