NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623468 | 5nz9 | 34138 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 0.000 0.000 0.000 2 H2 ACE 1 H2 ACE 1 0.890 0.000 -1.542 3 H3 ACE 1 H3 ACE 1 1.780 -0.000 0.000 4 H LYS 2 H LYS 2 1.972 1.841 1.167 5 HA LYS 2 HA LYS 2 1.068 4.312 -0.161 6 HB2 LYS 2 HB2 LYS 2 1.296 5.340 2.150 7 HB3 LYS 2 HB3 LYS 2 -0.036 4.212 1.929 8 HG2 LYS 2 HG2 LYS 2 0.958 2.578 3.225 9 HG3 LYS 2 HG3 LYS 2 2.576 3.250 3.012 10 HD2 LYS 2 HD2 LYS 2 0.816 5.154 4.284 11 HD3 LYS 2 HD3 LYS 2 0.861 3.634 5.180 12 HE2 LYS 2 HE2 LYS 2 3.046 3.877 5.744 13 HE3 LYS 2 HE3 LYS 2 3.455 4.698 4.239 14 HZ1 LYS 2 HZ1 LYS 2 3.228 6.662 5.213 15 HZ2 LYS 2 HZ2 LYS 2 3.103 5.862 6.698 16 HZ3 LYS 2 HZ3 LYS 2 1.705 6.271 5.838 17 H ARG 3 H ARG 3 3.433 3.020 -0.934 18 HA ARG 3 HA ARG 3 5.614 4.458 0.359 19 HB2 ARG 3 HB2 ARG 3 5.675 1.988 -0.413 20 HB3 ARG 3 HB3 ARG 3 5.900 2.652 -2.026 21 HG2 ARG 3 HG2 ARG 3 7.698 3.827 -0.066 22 HG3 ARG 3 HG3 ARG 3 7.883 2.078 -0.215 23 HD2 ARG 3 HD2 ARG 3 7.742 2.748 -2.813 24 HD3 ARG 3 HD3 ARG 3 8.449 4.226 -2.162 25 HE ARG 3 HE ARG 3 9.719 1.663 -2.412 26 HH11 ARG 3 HH11 ARG 3 11.359 4.575 -0.208 27 HH12 ARG 3 HH12 ARG 3 9.695 4.683 -0.680 28 HH21 ARG 3 HH21 ARG 3 12.618 2.769 -0.844 29 HH22 ARG 3 HH22 ARG 3 11.910 1.509 -1.796 30 H ILE 4 H ILE 4 3.417 5.540 -1.561 31 HA ILE 4 HA ILE 4 5.279 6.963 -3.351 32 HB ILE 4 HB ILE 4 3.855 5.643 -4.732 33 HG12 ILE 4 HG12 ILE 4 2.258 8.071 -5.064 34 HG13 ILE 4 HG13 ILE 4 3.979 8.399 -4.896 35 HG21 ILE 4 HG21 ILE 4 1.921 4.928 -3.901 36 HG22 ILE 4 HG22 ILE 4 1.901 6.207 -2.687 37 HG23 ILE 4 HG23 ILE 4 1.245 6.508 -4.296 38 HD11 ILE 4 HD11 ILE 4 4.002 6.360 -6.680 39 HD12 ILE 4 HD12 ILE 4 2.498 7.179 -7.101 40 HD13 ILE 4 HD13 ILE 4 4.019 8.072 -7.103 41 H GLY 5 H GLY 5 5.655 8.732 -2.054 42 HA2 GLY 5 HA2 GLY 5 3.329 10.498 -1.666 43 HA3 GLY 5 HA3 GLY 5 4.452 10.222 -0.343 44 H VAL 6 H VAL 6 6.097 10.176 -3.251 45 HA VAL 6 HA VAL 6 7.501 12.574 -2.672 46 HB VAL 6 HB VAL 6 7.516 11.043 -5.275 47 HG11 VAL 6 HG11 VAL 6 9.053 13.291 -4.183 48 HG12 VAL 6 HG12 VAL 6 10.029 12.000 -4.888 49 HG13 VAL 6 HG13 VAL 6 8.790 12.799 -5.856 50 HG21 VAL 6 HG21 VAL 6 9.707 10.149 -4.077 51 HG22 VAL 6 HG22 VAL 6 8.745 10.467 -2.633 52 HG23 VAL 6 HG23 VAL 6 8.143 9.361 -3.868 53 H ARG 7 H ARG 7 4.642 11.898 -4.440 54 HA ARG 7 HA ARG 7 4.789 14.387 -5.958 55 HB2 ARG 7 HB2 ARG 7 2.741 13.621 -7.049 56 HB3 ARG 7 HB3 ARG 7 3.983 12.377 -7.109 57 HG2 ARG 7 HG2 ARG 7 2.896 11.281 -5.162 58 HG3 ARG 7 HG3 ARG 7 1.597 12.469 -5.279 59 HD2 ARG 7 HD2 ARG 7 2.307 11.011 -7.754 60 HD3 ARG 7 HD3 ARG 7 1.510 10.082 -6.486 61 HE ARG 7 HE ARG 7 0.302 11.986 -8.201 62 HH11 ARG 7 HH11 ARG 7 -1.419 11.224 -4.667 63 HH12 ARG 7 HH12 ARG 7 0.240 10.798 -4.929 64 HH21 ARG 7 HH21 ARG 7 -2.626 12.221 -6.340 65 HH22 ARG 7 HH22 ARG 7 -1.883 12.552 -7.868 66 H LEU 8 H LEU 8 4.694 14.717 -3.183 67 HA LEU 8 HA LEU 8 1.978 15.792 -2.795 68 HB2 LEU 8 HB2 LEU 8 3.813 14.342 -0.990 69 HB3 LEU 8 HB3 LEU 8 2.927 15.692 -0.284 70 HG LEU 8 HG LEU 8 1.075 14.090 -1.725 71 HD11 LEU 8 HD11 LEU 8 3.165 12.573 -0.295 72 HD12 LEU 8 HD12 LEU 8 2.121 12.091 -1.631 73 HD13 LEU 8 HD13 LEU 8 1.494 12.100 0.017 74 HD21 LEU 8 HD21 LEU 8 1.574 14.920 1.092 75 HD22 LEU 8 HD22 LEU 8 0.377 13.664 0.773 76 HD23 LEU 8 HD23 LEU 8 0.199 15.259 0.040 77 HA PRO 9 HA PRO 9 3.600 19.838 -2.296 78 HB2 PRO 9 HB2 PRO 9 2.118 20.827 -0.248 79 HB3 PRO 9 HB3 PRO 9 1.458 20.548 -1.864 80 HG2 PRO 9 HG2 PRO 9 1.248 18.844 0.589 81 HG3 PRO 9 HG3 PRO 9 -0.003 19.253 -0.600 82 HD2 PRO 9 HD2 PRO 9 1.306 16.883 -0.620 83 HD3 PRO 9 HD3 PRO 9 0.731 17.669 -2.104 84 H GLY 10 H GLY 10 5.022 21.113 -1.095 85 HA2 GLY 10 HA2 GLY 10 5.896 19.992 1.492 86 HA3 GLY 10 HA3 GLY 10 7.065 20.402 0.246 87 H HIS 11 H HIS 11 8.082 22.236 0.654 88 HA HIS 11 HA HIS 11 6.721 24.300 2.228 89 HB2 HIS 11 HB2 HIS 11 9.230 23.242 2.496 90 HB3 HIS 11 HB3 HIS 11 9.560 24.703 1.570 91 HD1 HIS 11 HD1 HIS 11 7.883 23.656 4.807 92 HD2 HIS 11 HD2 HIS 11 9.652 26.983 3.057 93 HE1 HIS 11 HE1 HIS 11 7.995 25.391 6.624 94 H GLN 12 H GLN 12 7.888 23.610 -0.933 95 HA GLN 12 HA GLN 12 8.144 26.317 -1.819 96 HB2 GLN 12 HB2 GLN 12 8.437 23.649 -2.964 97 HB3 GLN 12 HB3 GLN 12 7.711 24.791 -4.087 98 HG2 GLN 12 HG2 GLN 12 9.649 26.341 -3.476 99 HG3 GLN 12 HG3 GLN 12 10.399 24.909 -2.772 100 HE21 GLN 12 HE21 GLN 12 10.479 22.989 -4.256 101 HE22 GLN 12 HE22 GLN 12 10.887 23.291 -5.907 102 H LYS 13 H LYS 13 5.541 24.046 -1.540 103 HA LYS 13 HA LYS 13 3.772 25.401 -3.349 104 HB2 LYS 13 HB2 LYS 13 3.527 23.135 -1.416 105 HB3 LYS 13 HB3 LYS 13 2.060 23.919 -1.990 106 HG2 LYS 13 HG2 LYS 13 2.496 22.018 -3.366 107 HG3 LYS 13 HG3 LYS 13 2.799 23.474 -4.318 108 HD2 LYS 13 HD2 LYS 13 5.162 22.523 -2.900 109 HD3 LYS 13 HD3 LYS 13 4.515 21.338 -4.038 110 HE2 LYS 13 HE2 LYS 13 4.801 24.168 -4.922 111 HE3 LYS 13 HE3 LYS 13 6.250 23.172 -4.799 112 HZ1 LYS 13 HZ1 LYS 13 5.643 22.706 -6.919 113 HZ2 LYS 13 HZ2 LYS 13 3.993 22.948 -6.640 114 HZ3 LYS 13 HZ3 LYS 13 4.732 21.511 -6.140 115 H ARG 14 H ARG 14 4.244 25.312 0.153 116 HA ARG 14 HA ARG 14 2.014 26.821 0.905 117 HB2 ARG 14 HB2 ARG 14 3.266 25.642 2.575 118 HB3 ARG 14 HB3 ARG 14 4.732 26.529 2.182 119 HG2 ARG 14 HG2 ARG 14 2.464 28.203 2.992 120 HG3 ARG 14 HG3 ARG 14 3.078 27.116 4.241 121 HD2 ARG 14 HD2 ARG 14 4.955 28.304 4.501 122 HD3 ARG 14 HD3 ARG 14 5.190 28.473 2.762 123 HE ARG 14 HE ARG 14 4.175 30.527 2.854 124 HH11 ARG 14 HH11 ARG 14 2.887 30.179 6.628 125 HH12 ARG 14 HH12 ARG 14 3.582 28.811 5.824 126 HH21 ARG 14 HH21 ARG 14 2.704 32.183 5.533 127 HH22 ARG 14 HH22 ARG 14 3.261 32.336 3.901 128 H ILE 15 H ILE 15 4.921 27.750 -0.666 129 HA ILE 15 HA ILE 15 4.704 30.549 0.058 130 HB ILE 15 HB ILE 15 6.534 29.190 -1.924 131 HG12 ILE 15 HG12 ILE 15 7.214 30.262 0.814 132 HG13 ILE 15 HG13 ILE 15 6.767 28.583 0.535 133 HG21 ILE 15 HG21 ILE 15 7.853 31.363 -1.556 134 HG22 ILE 15 HG22 ILE 15 6.441 31.416 -2.610 135 HG23 ILE 15 HG23 ILE 15 6.330 32.020 -0.957 136 HD11 ILE 15 HD11 ILE 15 8.879 29.544 -1.231 137 HD12 ILE 15 HD12 ILE 15 9.300 29.574 0.482 138 HD13 ILE 15 HD13 ILE 15 8.778 28.068 -0.272 139 H ALA 16 H ALA 16 4.303 28.558 -2.855 140 HA ALA 16 HA ALA 16 3.561 30.684 -4.566 141 HB1 ALA 16 HB1 ALA 16 4.345 28.333 -5.195 142 HB2 ALA 16 HB2 ALA 16 2.670 27.842 -4.939 143 HB3 ALA 16 HB3 ALA 16 3.058 29.051 -6.164 144 H TYR 17 H TYR 17 1.846 28.913 -2.161 145 HA TYR 17 HA TYR 17 -0.757 29.740 -3.193 146 HB2 TYR 17 HB2 TYR 17 -0.005 27.451 -1.955 147 HB3 TYR 17 HB3 TYR 17 -0.590 28.373 -0.575 148 HD1 TYR 17 HD1 TYR 17 -1.636 27.510 -4.060 149 HD2 TYR 17 HD2 TYR 17 -2.825 28.193 -0.033 150 HE1 TYR 17 HE1 TYR 17 -3.947 26.907 -4.647 151 HE2 TYR 17 HE2 TYR 17 -5.139 27.590 -0.608 152 HH TYR 17 HH TYR 17 -6.114 27.005 -3.929 153 H SER 18 H SER 18 1.572 30.590 -0.784 154 HA SER 18 HA SER 18 -0.263 32.170 0.790 155 HB2 SER 18 HB2 SER 18 1.484 31.258 2.072 156 HB3 SER 18 HB3 SER 18 2.707 31.688 0.876 157 HG SER 18 HG SER 18 1.220 33.547 2.424 158 H LEU 19 H LEU 19 1.813 32.630 -1.927 159 HA LEU 19 HA LEU 19 1.861 35.519 -1.666 160 HB2 LEU 19 HB2 LEU 19 3.221 33.500 -3.281 161 HB3 LEU 19 HB3 LEU 19 2.787 34.950 -4.184 162 HG LEU 19 HG LEU 19 5.064 35.095 -3.355 163 HD11 LEU 19 HD11 LEU 19 3.630 37.126 -3.506 164 HD12 LEU 19 HD12 LEU 19 4.940 37.252 -2.333 165 HD13 LEU 19 HD13 LEU 19 3.290 36.955 -1.784 166 HD21 LEU 19 HD21 LEU 19 4.410 35.400 -0.540 167 HD22 LEU 19 HD22 LEU 19 5.704 34.481 -1.309 168 HD23 LEU 19 HD23 LEU 19 4.099 33.770 -1.137 169 H LEU 20 H LEU 20 0.491 33.106 -3.886 170 HA LEU 20 HA LEU 20 -0.898 35.014 -5.476 171 HB2 LEU 20 HB2 LEU 20 -0.300 32.335 -5.676 172 HB3 LEU 20 HB3 LEU 20 -2.044 32.334 -5.426 173 HG LEU 20 HG LEU 20 -1.802 34.208 -7.376 174 HD11 LEU 20 HD11 LEU 20 0.408 34.072 -7.964 175 HD12 LEU 20 HD12 LEU 20 -0.288 32.869 -9.048 176 HD13 LEU 20 HD13 LEU 20 0.524 32.357 -7.569 177 HD21 LEU 20 HD21 LEU 20 -2.260 31.248 -7.454 178 HD22 LEU 20 HD22 LEU 20 -2.326 32.216 -8.927 179 HD23 LEU 20 HD23 LEU 20 -3.429 32.561 -7.593 180 H GLY 21 H GLY 21 -1.537 33.528 -2.448 181 HA2 GLY 21 HA2 GLY 21 -4.397 33.782 -2.538 182 HA3 GLY 21 HA3 GLY 21 -3.424 33.429 -1.117 183 H LEU 22 H LEU 22 -1.740 35.799 -1.466 184 HA LEU 22 HA LEU 22 -3.626 37.752 -0.364 185 HB2 LEU 22 HB2 LEU 22 -1.243 36.881 0.589 186 HB3 LEU 22 HB3 LEU 22 -0.742 38.328 -0.284 187 HG LEU 22 HG LEU 22 -2.893 38.329 1.826 188 HD11 LEU 22 HD11 LEU 22 -1.337 38.909 3.450 189 HD12 LEU 22 HD12 LEU 22 -0.087 39.278 2.263 190 HD13 LEU 22 HD13 LEU 22 -0.540 37.602 2.575 191 HD21 LEU 22 HD21 LEU 22 -3.106 40.223 0.440 192 HD22 LEU 22 HD22 LEU 22 -1.360 40.460 0.360 193 HD23 LEU 22 HD23 LEU 22 -2.225 40.776 1.865 194 H LYS 23 H LYS 23 -1.422 37.229 -3.001 195 HA LYS 23 HA LYS 23 -1.389 39.972 -3.865 196 HB2 LYS 23 HB2 LYS 23 -0.469 37.401 -5.148 197 HB3 LYS 23 HB3 LYS 23 -0.336 38.964 -5.943 198 HG2 LYS 23 HG2 LYS 23 0.768 38.895 -3.233 199 HG3 LYS 23 HG3 LYS 23 1.580 37.832 -4.384 200 HD2 LYS 23 HD2 LYS 23 2.752 39.768 -4.732 201 HD3 LYS 23 HD3 LYS 23 1.463 39.972 -5.921 202 HE2 LYS 23 HE2 LYS 23 0.433 41.618 -4.722 203 HE3 LYS 23 HE3 LYS 23 0.979 40.982 -3.172 204 HZ1 LYS 23 HZ1 LYS 23 2.573 42.534 -5.133 205 HZ2 LYS 23 HZ2 LYS 23 3.243 41.765 -3.783 206 HZ3 LYS 23 HZ3 LYS 23 2.117 43.011 -3.575 207 H ASP 24 H ASP 24 -3.545 37.368 -4.164 208 HA ASP 24 HA ASP 24 -4.861 38.628 -6.478 209 HB2 ASP 24 HB2 ASP 24 -4.085 36.121 -6.475 210 HB3 ASP 24 HB3 ASP 24 -5.549 35.871 -5.528 211 H GLN 25 H GLN 25 -5.196 37.690 -3.160 212 HA GLN 25 HA GLN 25 -7.997 38.599 -3.186 213 HB2 GLN 25 HB2 GLN 25 -6.943 36.228 -2.196 214 HB3 GLN 25 HB3 GLN 25 -7.156 37.223 -0.762 215 HG2 GLN 25 HG2 GLN 25 -9.508 37.602 -1.428 216 HG3 GLN 25 HG3 GLN 25 -9.268 36.491 -2.776 217 HE21 GLN 25 HE21 GLN 25 -9.009 34.293 -2.363 218 HE22 GLN 25 HE22 GLN 25 -9.453 33.586 -0.851 219 H VAL 26 H VAL 26 -5.478 40.192 -2.992 220 HA VAL 26 HA VAL 26 -4.912 41.106 -0.451 221 HB VAL 26 HB VAL 26 -3.718 41.799 -2.524 222 HG11 VAL 26 HG11 VAL 26 -5.668 42.296 -3.906 223 HG12 VAL 26 HG12 VAL 26 -6.065 43.664 -2.864 224 HG13 VAL 26 HG13 VAL 26 -4.582 43.683 -3.819 225 HG21 VAL 26 HG21 VAL 26 -3.871 43.074 -0.183 226 HG22 VAL 26 HG22 VAL 26 -2.885 43.660 -1.523 227 HG23 VAL 26 HG23 VAL 26 -4.481 44.353 -1.234 228 HN1 NH2 27 HN1 NH2 27 -7.705 41.749 -2.466 229 HN2 NH2 27 HN2 NH2 27 -8.539 42.780 -1.352 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 8.411 -0.378 -5.032 2 H2 ACE 1 H2 ACE 1 10.008 0.315 -5.405 3 H3 ACE 1 H3 ACE 1 9.309 0.512 -3.780 4 H LYS 2 H LYS 2 6.667 0.788 -5.326 5 HA LYS 2 HA LYS 2 6.825 3.687 -5.528 6 HB2 LYS 2 HB2 LYS 2 7.131 2.348 -7.832 7 HB3 LYS 2 HB3 LYS 2 5.374 2.366 -7.759 8 HG2 LYS 2 HG2 LYS 2 5.995 4.251 -9.019 9 HG3 LYS 2 HG3 LYS 2 5.537 4.864 -7.429 10 HD2 LYS 2 HD2 LYS 2 8.327 4.221 -7.438 11 HD3 LYS 2 HD3 LYS 2 7.960 5.264 -8.813 12 HE2 LYS 2 HE2 LYS 2 7.450 7.035 -7.501 13 HE3 LYS 2 HE3 LYS 2 6.729 6.030 -6.244 14 HZ1 LYS 2 HZ1 LYS 2 8.573 6.429 -5.095 15 HZ2 LYS 2 HZ2 LYS 2 9.384 7.072 -6.433 16 HZ3 LYS 2 HZ3 LYS 2 9.382 5.401 -6.168 17 H ARG 3 H ARG 3 5.649 2.344 -3.502 18 HA ARG 3 HA ARG 3 2.769 2.414 -4.110 19 HB2 ARG 3 HB2 ARG 3 4.285 0.472 -2.800 20 HB3 ARG 3 HB3 ARG 3 3.445 1.320 -1.509 21 HG2 ARG 3 HG2 ARG 3 2.103 0.139 -3.931 22 HG3 ARG 3 HG3 ARG 3 2.227 -0.654 -2.359 23 HD2 ARG 3 HD2 ARG 3 0.998 1.198 -1.332 24 HD3 ARG 3 HD3 ARG 3 0.875 1.987 -2.904 25 HE ARG 3 HE ARG 3 -0.850 0.583 -3.427 26 HH11 ARG 3 HH11 ARG 3 -0.242 -2.008 -0.436 27 HH12 ARG 3 HH12 ARG 3 0.898 -0.734 -0.720 28 HH21 ARG 3 HH21 ARG 3 -2.093 -2.210 -1.771 29 HH22 ARG 3 HH22 ARG 3 -2.358 -1.090 -3.064 30 H ILE 4 H ILE 4 4.779 4.606 -3.348 31 HA ILE 4 HA ILE 4 3.086 5.798 -1.264 32 HB ILE 4 HB ILE 4 6.086 6.108 -1.304 33 HG12 ILE 4 HG12 ILE 4 5.446 3.784 -0.750 34 HG13 ILE 4 HG13 ILE 4 6.156 4.621 0.626 35 HG21 ILE 4 HG21 ILE 4 5.586 6.930 1.058 36 HG22 ILE 4 HG22 ILE 4 5.132 7.987 -0.278 37 HG23 ILE 4 HG23 ILE 4 3.903 7.024 0.541 38 HD11 ILE 4 HD11 ILE 4 3.672 3.290 0.462 39 HD12 ILE 4 HD12 ILE 4 4.379 4.136 1.840 40 HD13 ILE 4 HD13 ILE 4 3.347 5.006 0.705 41 H GLY 5 H GLY 5 2.055 7.252 -2.545 42 HA2 GLY 5 HA2 GLY 5 3.717 9.014 -4.225 43 HA3 GLY 5 HA3 GLY 5 1.998 8.730 -4.452 44 H VAL 6 H VAL 6 2.657 9.045 -1.194 45 HA VAL 6 HA VAL 6 1.665 11.805 -1.225 46 HB VAL 6 HB VAL 6 0.461 9.982 0.078 47 HG11 VAL 6 HG11 VAL 6 2.907 9.350 1.029 48 HG12 VAL 6 HG12 VAL 6 2.309 10.372 2.337 49 HG13 VAL 6 HG13 VAL 6 1.398 8.944 1.846 50 HG21 VAL 6 HG21 VAL 6 0.767 12.674 0.543 51 HG22 VAL 6 HG22 VAL 6 -0.439 11.629 1.294 52 HG23 VAL 6 HG23 VAL 6 1.080 11.961 2.126 53 H ARG 7 H ARG 7 4.511 10.920 -1.627 54 HA ARG 7 HA ARG 7 5.777 12.148 0.717 55 HB2 ARG 7 HB2 ARG 7 6.792 10.386 -1.495 56 HB3 ARG 7 HB3 ARG 7 7.905 11.337 -0.520 57 HG2 ARG 7 HG2 ARG 7 5.934 9.692 0.943 58 HG3 ARG 7 HG3 ARG 7 7.212 8.834 0.080 59 HD2 ARG 7 HD2 ARG 7 8.483 10.957 1.380 60 HD3 ARG 7 HD3 ARG 7 7.335 10.312 2.552 61 HE ARG 7 HE ARG 7 8.883 8.279 1.252 62 HH11 ARG 7 HH11 ARG 7 9.978 9.720 4.823 63 HH12 ARG 7 HH12 ARG 7 8.834 10.590 3.855 64 HH21 ARG 7 HH21 ARG 7 10.863 7.749 4.060 65 HH22 ARG 7 HH22 ARG 7 10.390 7.125 2.517 66 H LEU 8 H LEU 8 4.336 13.814 -1.055 67 HA LEU 8 HA LEU 8 6.325 15.151 -2.708 68 HB2 LEU 8 HB2 LEU 8 3.375 15.275 -2.403 69 HB3 LEU 8 HB3 LEU 8 4.200 16.722 -2.979 70 HG LEU 8 HG LEU 8 5.246 14.801 -4.611 71 HD11 LEU 8 HD11 LEU 8 2.418 14.095 -4.859 72 HD12 LEU 8 HD12 LEU 8 3.202 13.455 -3.415 73 HD13 LEU 8 HD13 LEU 8 3.860 13.090 -5.010 74 HD21 LEU 8 HD21 LEU 8 3.570 15.676 -6.277 75 HD22 LEU 8 HD22 LEU 8 4.515 16.901 -5.429 76 HD23 LEU 8 HD23 LEU 8 2.846 16.585 -4.951 77 HA PRO 9 HA PRO 9 7.319 18.402 0.065 78 HB2 PRO 9 HB2 PRO 9 7.390 20.571 -1.565 79 HB3 PRO 9 HB3 PRO 9 8.620 19.303 -1.600 80 HG2 PRO 9 HG2 PRO 9 6.265 19.707 -3.403 81 HG3 PRO 9 HG3 PRO 9 7.929 19.258 -3.820 82 HD2 PRO 9 HD2 PRO 9 5.925 17.443 -3.668 83 HD3 PRO 9 HD3 PRO 9 7.607 17.046 -3.259 84 H GLY 10 H GLY 10 6.456 20.062 1.311 85 HA2 GLY 10 HA2 GLY 10 3.768 21.013 0.561 86 HA3 GLY 10 HA3 GLY 10 4.055 20.336 2.158 87 H HIS 11 H HIS 11 6.688 22.079 0.896 88 HA HIS 11 HA HIS 11 6.114 24.274 2.751 89 HB2 HIS 11 HB2 HIS 11 8.521 22.871 1.915 90 HB3 HIS 11 HB3 HIS 11 8.705 24.618 1.791 91 HD1 HIS 11 HD1 HIS 11 9.585 25.635 3.853 92 HD2 HIS 11 HD2 HIS 11 7.376 22.210 4.657 93 HE1 HIS 11 HE1 HIS 11 9.708 25.326 6.346 94 H GLN 12 H GLN 12 6.391 23.547 -0.600 95 HA GLN 12 HA GLN 12 6.841 26.267 -1.442 96 HB2 GLN 12 HB2 GLN 12 6.466 23.640 -2.782 97 HB3 GLN 12 HB3 GLN 12 6.066 25.080 -3.708 98 HG2 GLN 12 HG2 GLN 12 8.272 24.694 -4.266 99 HG3 GLN 12 HG3 GLN 12 8.390 25.921 -3.006 100 HE21 GLN 12 HE21 GLN 12 8.556 22.446 -3.585 101 HE22 GLN 12 HE22 GLN 12 9.669 22.104 -2.309 102 H LYS 13 H LYS 13 4.120 24.178 -0.873 103 HA LYS 13 HA LYS 13 2.152 25.480 -2.366 104 HB2 LYS 13 HB2 LYS 13 0.558 24.528 -0.676 105 HB3 LYS 13 HB3 LYS 13 1.661 23.356 -1.386 106 HG2 LYS 13 HG2 LYS 13 3.064 23.457 0.606 107 HG3 LYS 13 HG3 LYS 13 1.971 24.646 1.319 108 HD2 LYS 13 HD2 LYS 13 0.868 22.034 0.390 109 HD3 LYS 13 HD3 LYS 13 1.759 22.096 1.912 110 HE2 LYS 13 HE2 LYS 13 0.219 23.556 2.888 111 HE3 LYS 13 HE3 LYS 13 -0.452 24.036 1.330 112 HZ1 LYS 13 HZ1 LYS 13 -0.755 21.248 1.722 113 HZ2 LYS 13 HZ2 LYS 13 -1.944 22.422 1.460 114 HZ3 LYS 13 HZ3 LYS 13 -1.417 22.090 3.033 115 H ARG 14 H ARG 14 3.400 26.147 0.871 116 HA ARG 14 HA ARG 14 1.539 28.088 1.639 117 HB2 ARG 14 HB2 ARG 14 3.088 27.123 3.234 118 HB3 ARG 14 HB3 ARG 14 4.458 27.804 2.366 119 HG2 ARG 14 HG2 ARG 14 2.527 29.825 3.150 120 HG3 ARG 14 HG3 ARG 14 3.169 28.924 4.524 121 HD2 ARG 14 HD2 ARG 14 5.164 29.912 4.358 122 HD3 ARG 14 HD3 ARG 14 5.236 29.638 2.618 123 HE ARG 14 HE ARG 14 4.614 31.808 2.317 124 HH11 ARG 14 HH11 ARG 14 3.086 32.388 5.972 125 HH12 ARG 14 HH12 ARG 14 3.646 30.815 5.510 126 HH21 ARG 14 HH21 ARG 14 3.219 34.133 4.493 127 HH22 ARG 14 HH22 ARG 14 3.880 33.884 2.913 128 H ILE 15 H ILE 15 4.073 28.206 -0.674 129 HA ILE 15 HA ILE 15 4.268 31.098 -0.674 130 HB ILE 15 HB ILE 15 5.462 29.069 -2.567 131 HG12 ILE 15 HG12 ILE 15 6.313 28.863 -0.273 132 HG13 ILE 15 HG13 ILE 15 7.553 29.492 -1.353 133 HG21 ILE 15 HG21 ILE 15 5.428 31.042 -3.788 134 HG22 ILE 15 HG22 ILE 15 5.695 32.045 -2.363 135 HG23 ILE 15 HG23 ILE 15 7.016 31.081 -3.022 136 HD11 ILE 15 HD11 ILE 15 5.919 31.044 0.637 137 HD12 ILE 15 HD12 ILE 15 7.646 30.692 0.706 138 HD13 ILE 15 HD13 ILE 15 7.016 31.773 -0.536 139 H ALA 16 H ALA 16 3.037 28.558 -2.832 140 HA ALA 16 HA ALA 16 2.097 30.307 -4.843 141 HB1 ALA 16 HB1 ALA 16 2.112 28.275 -5.780 142 HB2 ALA 16 HB2 ALA 16 1.903 27.455 -4.232 143 HB3 ALA 16 HB3 ALA 16 0.502 28.105 -5.082 144 H TYR 17 H TYR 17 0.843 29.401 -1.766 145 HA TYR 17 HA TYR 17 -1.849 30.320 -2.421 146 HB2 TYR 17 HB2 TYR 17 -0.979 28.322 -0.778 147 HB3 TYR 17 HB3 TYR 17 -1.242 29.624 0.376 148 HD1 TYR 17 HD1 TYR 17 -3.398 30.107 1.141 149 HD2 TYR 17 HD2 TYR 17 -2.913 27.720 -2.347 150 HE1 TYR 17 HE1 TYR 17 -5.810 29.623 1.144 151 HE2 TYR 17 HE2 TYR 17 -5.323 27.230 -2.355 152 HH TYR 17 HH TYR 17 -7.234 27.372 -1.178 153 H SER 18 H SER 18 1.040 31.379 -0.845 154 HA SER 18 HA SER 18 -0.242 33.527 0.600 155 HB2 SER 18 HB2 SER 18 1.702 32.590 1.633 156 HB3 SER 18 HB3 SER 18 2.655 32.786 0.162 157 HG SER 18 HG SER 18 1.498 35.049 1.343 158 H LEU 19 H LEU 19 1.181 33.035 -2.503 159 HA LEU 19 HA LEU 19 1.530 35.871 -3.019 160 HB2 LEU 19 HB2 LEU 19 2.340 33.364 -4.272 161 HB3 LEU 19 HB3 LEU 19 1.818 34.585 -5.430 162 HG LEU 19 HG LEU 19 3.489 36.144 -4.483 163 HD11 LEU 19 HD11 LEU 19 4.403 33.742 -2.907 164 HD12 LEU 19 HD12 LEU 19 3.611 35.167 -2.237 165 HD13 LEU 19 HD13 LEU 19 5.203 35.312 -2.981 166 HD21 LEU 19 HD21 LEU 19 3.871 34.396 -6.384 167 HD22 LEU 19 HD22 LEU 19 4.953 33.645 -5.210 168 HD23 LEU 19 HD23 LEU 19 5.233 35.307 -5.731 169 H LEU 20 H LEU 20 -0.575 33.221 -4.053 170 HA LEU 20 HA LEU 20 -2.117 34.906 -5.804 171 HB2 LEU 20 HB2 LEU 20 -1.727 32.188 -5.545 172 HB3 LEU 20 HB3 LEU 20 -3.377 32.417 -4.968 173 HG LEU 20 HG LEU 20 -3.710 33.719 -7.186 174 HD11 LEU 20 HD11 LEU 20 -2.260 32.634 -8.990 175 HD12 LEU 20 HD12 LEU 20 -1.148 32.240 -7.680 176 HD13 LEU 20 HD13 LEU 20 -1.540 33.924 -8.026 177 HD21 LEU 20 HD21 LEU 20 -3.477 31.017 -8.080 178 HD22 LEU 20 HD22 LEU 20 -4.927 31.923 -7.646 179 HD23 LEU 20 HD23 LEU 20 -4.041 31.028 -6.409 180 H GLY 21 H GLY 21 -1.941 34.704 -2.532 181 HA2 GLY 21 HA2 GLY 21 -4.821 35.183 -2.135 182 HA3 GLY 21 HA3 GLY 21 -3.688 34.719 -0.874 183 H LEU 22 H LEU 22 -1.773 36.756 -2.171 184 HA LEU 22 HA LEU 22 -2.969 39.126 -0.894 185 HB2 LEU 22 HB2 LEU 22 -0.667 37.800 -0.183 186 HB3 LEU 22 HB3 LEU 22 -0.065 39.131 -1.170 187 HG LEU 22 HG LEU 22 -1.983 39.699 1.050 188 HD11 LEU 22 HD11 LEU 22 0.971 39.198 1.365 189 HD12 LEU 22 HD12 LEU 22 -0.346 38.307 2.127 190 HD13 LEU 22 HD13 LEU 22 -0.049 39.988 2.567 191 HD21 LEU 22 HD21 LEU 22 -0.624 41.223 -0.831 192 HD22 LEU 22 HD22 LEU 22 0.282 41.458 0.664 193 HD23 LEU 22 HD23 LEU 22 -1.445 41.814 0.614 194 H LYS 23 H LYS 23 -1.420 37.831 -3.697 195 HA LYS 23 HA LYS 23 -1.172 40.495 -4.897 196 HB2 LYS 23 HB2 LYS 23 0.681 38.666 -4.950 197 HB3 LYS 23 HB3 LYS 23 -0.299 37.948 -6.222 198 HG2 LYS 23 HG2 LYS 23 1.156 39.223 -7.445 199 HG3 LYS 23 HG3 LYS 23 -0.196 40.343 -7.256 200 HD2 LYS 23 HD2 LYS 23 1.736 40.471 -5.069 201 HD3 LYS 23 HD3 LYS 23 2.428 40.877 -6.641 202 HE2 LYS 23 HE2 LYS 23 -0.181 42.073 -5.809 203 HE3 LYS 23 HE3 LYS 23 1.325 42.731 -5.171 204 HZ1 LYS 23 HZ1 LYS 23 0.150 43.182 -7.678 205 HZ2 LYS 23 HZ2 LYS 23 1.635 42.410 -7.924 206 HZ3 LYS 23 HZ3 LYS 23 1.568 43.854 -7.045 207 H ASP 24 H ASP 24 -3.474 38.216 -4.582 208 HA ASP 24 HA ASP 24 -4.602 38.767 -7.250 209 HB2 ASP 24 HB2 ASP 24 -4.001 36.292 -6.281 210 HB3 ASP 24 HB3 ASP 24 -5.681 36.453 -5.776 211 H GLN 25 H GLN 25 -5.157 38.604 -3.804 212 HA GLN 25 HA GLN 25 -7.944 39.400 -4.107 213 HB2 GLN 25 HB2 GLN 25 -6.969 37.712 -2.364 214 HB3 GLN 25 HB3 GLN 25 -6.547 39.164 -1.467 215 HG2 GLN 25 HG2 GLN 25 -9.123 39.693 -2.037 216 HG3 GLN 25 HG3 GLN 25 -9.172 37.933 -1.956 217 HE21 GLN 25 HE21 GLN 25 -8.764 40.870 -0.199 218 HE22 GLN 25 HE22 GLN 25 -8.750 40.175 1.382 219 H VAL 26 H VAL 26 -4.934 40.863 -3.867 220 HA VAL 26 HA VAL 26 -6.191 43.440 -3.291 221 HB VAL 26 HB VAL 26 -3.641 42.560 -1.931 222 HG11 VAL 26 HG11 VAL 26 -3.634 44.922 -2.377 223 HG12 VAL 26 HG12 VAL 26 -5.271 45.090 -1.741 224 HG13 VAL 26 HG13 VAL 26 -3.942 44.672 -0.659 225 HG21 VAL 26 HG21 VAL 26 -6.461 42.794 -0.907 226 HG22 VAL 26 HG22 VAL 26 -5.405 41.382 -0.876 227 HG23 VAL 26 HG23 VAL 26 -5.052 42.768 0.154 228 HN1 NH2 27 HN1 NH2 27 -3.103 41.827 -4.111 229 HN2 NH2 27 HN2 NH2 27 -2.629 42.956 -5.337 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 5.557 22.086 -9.562 2 H2 ACE 1 H2 ACE 1 7.160 21.990 -8.793 3 H3 ACE 1 H3 ACE 1 6.755 20.905 -10.144 4 H LYS 2 H LYS 2 7.697 19.722 -8.027 5 HA LYS 2 HA LYS 2 7.290 17.982 -6.614 6 HB2 LYS 2 HB2 LYS 2 6.465 20.139 -5.347 7 HB3 LYS 2 HB3 LYS 2 4.881 19.405 -5.556 8 HG2 LYS 2 HG2 LYS 2 5.731 18.794 -3.409 9 HG3 LYS 2 HG3 LYS 2 5.738 17.361 -4.441 10 HD2 LYS 2 HD2 LYS 2 8.054 17.381 -4.662 11 HD3 LYS 2 HD3 LYS 2 8.180 19.081 -4.204 12 HE2 LYS 2 HE2 LYS 2 8.563 18.481 -2.102 13 HE3 LYS 2 HE3 LYS 2 6.989 17.690 -2.041 14 HZ1 LYS 2 HZ1 LYS 2 8.845 16.197 -1.491 15 HZ2 LYS 2 HZ2 LYS 2 9.475 16.414 -3.045 16 HZ3 LYS 2 HZ3 LYS 2 7.971 15.667 -2.839 17 H ARG 3 H ARG 3 6.471 17.172 -8.913 18 HA ARG 3 HA ARG 3 3.652 16.407 -8.783 19 HB2 ARG 3 HB2 ARG 3 5.368 17.089 -10.892 20 HB3 ARG 3 HB3 ARG 3 5.086 15.362 -11.067 21 HG2 ARG 3 HG2 ARG 3 2.907 17.421 -10.799 22 HG3 ARG 3 HG3 ARG 3 3.496 16.776 -12.332 23 HD2 ARG 3 HD2 ARG 3 2.849 14.524 -11.632 24 HD3 ARG 3 HD3 ARG 3 2.271 15.165 -10.095 25 HE ARG 3 HE ARG 3 0.949 16.536 -12.123 26 HH11 ARG 3 HH11 ARG 3 -0.436 12.860 -11.352 27 HH12 ARG 3 HH12 ARG 3 1.174 13.292 -10.880 28 HH21 ARG 3 HH21 ARG 3 -1.769 14.389 -12.416 29 HH22 ARG 3 HH22 ARG 3 -1.172 15.980 -12.750 30 H ILE 4 H ILE 4 6.008 15.282 -7.169 31 HA ILE 4 HA ILE 4 5.264 12.477 -7.564 32 HB ILE 4 HB ILE 4 8.133 13.305 -7.136 33 HG12 ILE 4 HG12 ILE 4 8.191 12.221 -9.579 34 HG13 ILE 4 HG13 ILE 4 6.556 12.873 -9.624 35 HG21 ILE 4 HG21 ILE 4 6.954 10.953 -6.535 36 HG22 ILE 4 HG22 ILE 4 7.435 10.654 -8.204 37 HG23 ILE 4 HG23 ILE 4 8.645 11.115 -7.007 38 HD11 ILE 4 HD11 ILE 4 8.512 14.302 -10.497 39 HD12 ILE 4 HD12 ILE 4 7.290 15.058 -9.473 40 HD13 ILE 4 HD13 ILE 4 8.849 14.595 -8.791 41 H GLY 5 H GLY 5 4.015 12.644 -5.678 42 HA2 GLY 5 HA2 GLY 5 4.795 11.700 -3.350 43 HA3 GLY 5 HA3 GLY 5 5.395 13.344 -3.194 44 H VAL 6 H VAL 6 2.875 11.355 -2.470 45 HA VAL 6 HA VAL 6 0.901 13.537 -2.483 46 HB VAL 6 HB VAL 6 0.378 10.594 -2.053 47 HG11 VAL 6 HG11 VAL 6 -1.930 11.737 -2.961 48 HG12 VAL 6 HG12 VAL 6 -1.553 11.419 -1.266 49 HG13 VAL 6 HG13 VAL 6 -1.259 13.018 -1.952 50 HG21 VAL 6 HG21 VAL 6 0.516 12.243 -4.530 51 HG22 VAL 6 HG22 VAL 6 1.020 10.576 -4.256 52 HG23 VAL 6 HG23 VAL 6 -0.692 10.963 -4.425 53 H ARG 7 H ARG 7 2.835 11.538 -0.462 54 HA ARG 7 HA ARG 7 1.285 12.233 1.922 55 HB2 ARG 7 HB2 ARG 7 3.512 10.275 1.403 56 HB3 ARG 7 HB3 ARG 7 3.031 10.711 3.037 57 HG2 ARG 7 HG2 ARG 7 0.817 9.859 2.675 58 HG3 ARG 7 HG3 ARG 7 1.169 9.563 0.971 59 HD2 ARG 7 HD2 ARG 7 2.204 7.626 1.407 60 HD3 ARG 7 HD3 ARG 7 3.073 8.301 2.785 61 HE ARG 7 HE ARG 7 0.454 7.994 3.601 62 HH11 ARG 7 HH11 ARG 7 2.492 4.557 3.342 63 HH12 ARG 7 HH12 ARG 7 3.025 5.946 2.453 64 HH21 ARG 7 HH21 ARG 7 0.624 4.687 4.662 65 HH22 ARG 7 HH22 ARG 7 -0.258 6.173 4.776 66 H LEU 8 H LEU 8 2.468 14.410 0.749 67 HA LEU 8 HA LEU 8 5.049 14.981 1.808 68 HB2 LEU 8 HB2 LEU 8 3.080 17.100 1.053 69 HB3 LEU 8 HB3 LEU 8 4.832 17.086 0.855 70 HG LEU 8 HG LEU 8 2.811 15.565 -0.789 71 HD11 LEU 8 HD11 LEU 8 4.775 17.605 -1.764 72 HD12 LEU 8 HD12 LEU 8 3.206 18.086 -1.118 73 HD13 LEU 8 HD13 LEU 8 3.293 17.029 -2.527 74 HD21 LEU 8 HD21 LEU 8 4.909 15.038 -2.157 75 HD22 LEU 8 HD22 LEU 8 4.645 14.120 -0.674 76 HD23 LEU 8 HD23 LEU 8 5.808 15.447 -0.696 77 HA PRO 9 HA PRO 9 4.130 16.291 5.896 78 HB2 PRO 9 HB2 PRO 9 5.972 18.255 6.243 79 HB3 PRO 9 HB3 PRO 9 6.394 16.539 6.197 80 HG2 PRO 9 HG2 PRO 9 6.588 18.597 4.030 81 HG3 PRO 9 HG3 PRO 9 7.751 17.337 4.484 82 HD2 PRO 9 HD2 PRO 9 6.073 17.079 2.375 83 HD3 PRO 9 HD3 PRO 9 6.604 15.692 3.348 84 H GLY 10 H GLY 10 3.962 18.499 7.194 85 HA2 GLY 10 HA2 GLY 10 1.951 20.060 5.761 86 HA3 GLY 10 HA3 GLY 10 2.239 20.076 7.495 87 H HIS 11 H HIS 11 5.232 20.314 6.620 88 HA HIS 11 HA HIS 11 5.372 23.135 6.982 89 HB2 HIS 11 HB2 HIS 11 7.091 21.184 7.541 90 HB3 HIS 11 HB3 HIS 11 7.722 21.614 5.954 91 HD1 HIS 11 HD1 HIS 11 9.498 22.080 8.349 92 HD2 HIS 11 HD2 HIS 11 6.854 24.940 6.902 93 HE1 HIS 11 HE1 HIS 11 10.390 24.289 9.154 94 H GLN 12 H GLN 12 5.171 21.080 4.230 95 HA GLN 12 HA GLN 12 6.164 23.125 2.410 96 HB2 GLN 12 HB2 GLN 12 6.102 20.328 2.348 97 HB3 GLN 12 HB3 GLN 12 4.950 20.837 1.120 98 HG2 GLN 12 HG2 GLN 12 6.592 21.314 -0.276 99 HG3 GLN 12 HG3 GLN 12 7.308 22.422 0.893 100 HE21 GLN 12 HE21 GLN 12 7.091 18.994 0.059 101 HE22 GLN 12 HE22 GLN 12 8.682 18.582 0.589 102 H LYS 13 H LYS 13 3.176 21.827 3.584 103 HA LYS 13 HA LYS 13 1.455 22.623 1.511 104 HB2 LYS 13 HB2 LYS 13 1.157 21.902 4.374 105 HB3 LYS 13 HB3 LYS 13 -0.162 22.814 3.651 106 HG2 LYS 13 HG2 LYS 13 0.155 20.948 1.762 107 HG3 LYS 13 HG3 LYS 13 0.718 20.039 3.166 108 HD2 LYS 13 HD2 LYS 13 -1.383 20.636 4.337 109 HD3 LYS 13 HD3 LYS 13 -1.945 21.427 2.862 110 HE2 LYS 13 HE2 LYS 13 -2.923 19.313 2.766 111 HE3 LYS 13 HE3 LYS 13 -1.508 19.168 1.725 112 HZ1 LYS 13 HZ1 LYS 13 -0.664 17.600 3.027 113 HZ2 LYS 13 HZ2 LYS 13 -2.150 17.544 3.832 114 HZ3 LYS 13 HZ3 LYS 13 -0.900 18.513 4.432 115 H ARG 14 H ARG 14 2.649 24.336 4.362 116 HA ARG 14 HA ARG 14 1.043 26.617 4.176 117 HB2 ARG 14 HB2 ARG 14 2.698 25.880 6.030 118 HB3 ARG 14 HB3 ARG 14 3.905 26.735 5.080 119 HG2 ARG 14 HG2 ARG 14 1.959 28.608 5.221 120 HG3 ARG 14 HG3 ARG 14 1.737 27.774 6.760 121 HD2 ARG 14 HD2 ARG 14 3.276 29.607 7.057 122 HD3 ARG 14 HD3 ARG 14 4.143 28.082 7.231 123 HE ARG 14 HE ARG 14 4.286 29.038 4.563 124 HH11 ARG 14 HH11 ARG 14 7.082 30.190 7.186 125 HH12 ARG 14 HH12 ARG 14 5.580 29.542 7.756 126 HH21 ARG 14 HH21 ARG 14 7.468 30.388 4.937 127 HH22 ARG 14 HH22 ARG 14 6.260 29.890 3.801 128 H ILE 15 H ILE 15 3.667 25.561 2.228 129 HA ILE 15 HA ILE 15 4.244 28.192 1.156 130 HB ILE 15 HB ILE 15 5.247 25.477 0.290 131 HG12 ILE 15 HG12 ILE 15 6.612 27.634 1.915 132 HG13 ILE 15 HG13 ILE 15 5.920 26.160 2.584 133 HG21 ILE 15 HG21 ILE 15 7.019 27.521 -0.473 134 HG22 ILE 15 HG22 ILE 15 6.038 26.493 -1.516 135 HG23 ILE 15 HG23 ILE 15 5.408 28.045 -0.963 136 HD11 ILE 15 HD11 ILE 15 7.635 25.312 0.559 137 HD12 ILE 15 HD12 ILE 15 8.497 26.600 1.402 138 HD13 ILE 15 HD13 ILE 15 7.893 25.208 2.300 139 H ALA 16 H ALA 16 2.770 25.166 0.028 140 HA ALA 16 HA ALA 16 2.171 26.083 -2.580 141 HB1 ALA 16 HB1 ALA 16 0.773 24.126 -2.770 142 HB2 ALA 16 HB2 ALA 16 2.270 23.699 -1.941 143 HB3 ALA 16 HB3 ALA 16 0.781 23.910 -1.020 144 H TYR 17 H TYR 17 0.677 26.595 0.479 145 HA TYR 17 HA TYR 17 -1.835 27.470 -0.726 146 HB2 TYR 17 HB2 TYR 17 -0.950 26.695 1.984 147 HB3 TYR 17 HB3 TYR 17 -2.131 27.999 1.920 148 HD1 TYR 17 HD1 TYR 17 -4.232 27.198 2.425 149 HD2 TYR 17 HD2 TYR 17 -1.687 24.844 -0.042 150 HE1 TYR 17 HE1 TYR 17 -6.038 25.552 2.143 151 HE2 TYR 17 HE2 TYR 17 -3.486 23.192 -0.332 152 HH TYR 17 HH TYR 17 -5.692 22.802 -0.038 153 H SER 18 H SER 18 1.093 28.733 0.618 154 HA SER 18 HA SER 18 0.059 31.395 1.030 155 HB2 SER 18 HB2 SER 18 1.831 30.717 2.488 156 HB3 SER 18 HB3 SER 18 2.848 30.234 1.131 157 HG SER 18 HG SER 18 3.361 32.270 0.766 158 H LEU 19 H LEU 19 1.528 29.610 -1.536 159 HA LEU 19 HA LEU 19 2.272 31.971 -3.044 160 HB2 LEU 19 HB2 LEU 19 2.745 29.101 -3.207 161 HB3 LEU 19 HB3 LEU 19 2.404 29.831 -4.774 162 HG LEU 19 HG LEU 19 4.248 31.496 -4.229 163 HD11 LEU 19 HD11 LEU 19 5.093 31.438 -2.178 164 HD12 LEU 19 HD12 LEU 19 5.820 29.884 -2.584 165 HD13 LEU 19 HD13 LEU 19 4.239 29.941 -1.805 166 HD21 LEU 19 HD21 LEU 19 5.812 30.171 -5.273 167 HD22 LEU 19 HD22 LEU 19 4.319 29.325 -5.679 168 HD23 LEU 19 HD23 LEU 19 5.347 28.726 -4.376 169 H LEU 20 H LEU 20 -0.088 29.328 -3.327 170 HA LEU 20 HA LEU 20 -1.347 30.394 -5.647 171 HB2 LEU 20 HB2 LEU 20 -1.420 28.006 -4.287 172 HB3 LEU 20 HB3 LEU 20 -3.011 28.691 -3.962 173 HG LEU 20 HG LEU 20 -2.974 29.030 -6.601 174 HD11 LEU 20 HD11 LEU 20 -1.752 27.480 -7.798 175 HD12 LEU 20 HD12 LEU 20 -1.493 26.442 -6.396 176 HD13 LEU 20 HD13 LEU 20 -0.610 27.961 -6.543 177 HD21 LEU 20 HD21 LEU 20 -4.274 27.017 -6.787 178 HD22 LEU 20 HD22 LEU 20 -4.622 27.776 -5.234 179 HD23 LEU 20 HD23 LEU 20 -3.560 26.369 -5.310 180 H GLY 21 H GLY 21 -1.575 31.075 -2.291 181 HA2 GLY 21 HA2 GLY 21 -4.248 32.130 -2.339 182 HA3 GLY 21 HA3 GLY 21 -3.078 32.310 -1.040 183 H LEU 22 H LEU 22 -1.043 33.425 -2.858 184 HA LEU 22 HA LEU 22 -2.131 36.146 -2.976 185 HB2 LEU 22 HB2 LEU 22 0.150 35.227 -1.833 186 HB3 LEU 22 HB3 LEU 22 0.748 35.729 -3.413 187 HG LEU 22 HG LEU 22 -0.918 37.652 -1.870 188 HD11 LEU 22 HD11 LEU 22 1.122 38.451 -0.706 189 HD12 LEU 22 HD12 LEU 22 1.950 36.985 -1.231 190 HD13 LEU 22 HD13 LEU 22 0.562 36.874 -0.149 191 HD21 LEU 22 HD21 LEU 22 1.396 37.797 -3.785 192 HD22 LEU 22 HD22 LEU 22 0.815 39.197 -2.883 193 HD23 LEU 22 HD23 LEU 22 -0.255 38.372 -4.017 194 H LYS 23 H LYS 23 -0.771 33.613 -4.930 195 HA LYS 23 HA LYS 23 -0.300 35.264 -7.233 196 HB2 LYS 23 HB2 LYS 23 -0.352 32.278 -6.808 197 HB3 LYS 23 HB3 LYS 23 -0.069 33.005 -8.385 198 HG2 LYS 23 HG2 LYS 23 1.643 34.123 -6.324 199 HG3 LYS 23 HG3 LYS 23 1.844 32.379 -6.510 200 HD2 LYS 23 HD2 LYS 23 3.324 33.109 -8.091 201 HD3 LYS 23 HD3 LYS 23 1.863 33.015 -9.076 202 HE2 LYS 23 HE2 LYS 23 1.536 35.336 -9.006 203 HE3 LYS 23 HE3 LYS 23 2.640 35.538 -7.647 204 HZ1 LYS 23 HZ1 LYS 23 3.293 35.015 -10.480 205 HZ2 LYS 23 HZ2 LYS 23 4.412 34.707 -9.250 206 HZ3 LYS 23 HZ3 LYS 23 3.829 36.277 -9.489 207 H ASP 24 H ASP 24 -3.023 33.779 -5.840 208 HA ASP 24 HA ASP 24 -4.499 33.709 -8.364 209 HB2 ASP 24 HB2 ASP 24 -4.649 31.828 -6.676 210 HB3 ASP 24 HB3 ASP 24 -5.512 32.946 -5.623 211 H GLN 25 H GLN 25 -4.243 35.519 -5.396 212 HA GLN 25 HA GLN 25 -6.670 37.011 -5.828 213 HB2 GLN 25 HB2 GLN 25 -6.144 38.168 -3.825 214 HB3 GLN 25 HB3 GLN 25 -5.667 36.496 -3.563 215 HG2 GLN 25 HG2 GLN 25 -3.329 37.186 -4.194 216 HG3 GLN 25 HG3 GLN 25 -3.895 38.854 -4.120 217 HE21 GLN 25 HE21 GLN 25 -2.696 39.499 -2.399 218 HE22 GLN 25 HE22 GLN 25 -2.896 38.876 -0.800 219 H VAL 26 H VAL 26 -3.517 37.146 -7.023 220 HA VAL 26 HA VAL 26 -3.822 39.984 -7.755 221 HB VAL 26 HB VAL 26 -1.293 38.335 -7.629 222 HG11 VAL 26 HG11 VAL 26 -0.380 39.858 -8.960 223 HG12 VAL 26 HG12 VAL 26 -1.904 40.745 -9.040 224 HG13 VAL 26 HG13 VAL 26 -0.744 41.096 -7.758 225 HG21 VAL 26 HG21 VAL 26 -0.708 39.910 -5.785 226 HG22 VAL 26 HG22 VAL 26 -2.363 40.517 -5.844 227 HG23 VAL 26 HG23 VAL 26 -2.056 38.835 -5.412 228 HN1 NH2 27 HN1 NH2 27 -4.744 40.109 -9.713 229 HN2 NH2 27 HN2 NH2 27 -4.270 39.197 -11.107 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 2.141 16.431 -11.654 2 H2 ACE 1 H2 ACE 1 1.218 14.916 -11.809 3 H3 ACE 1 H3 ACE 1 0.363 16.460 -11.576 4 H LYS 2 H LYS 2 3.019 14.673 -10.058 5 HA LYS 2 HA LYS 2 3.416 14.076 -7.897 6 HB2 LYS 2 HB2 LYS 2 3.124 16.806 -7.960 7 HB3 LYS 2 HB3 LYS 2 1.989 16.344 -6.699 8 HG2 LYS 2 HG2 LYS 2 3.944 16.717 -5.528 9 HG3 LYS 2 HG3 LYS 2 3.951 14.966 -5.750 10 HD2 LYS 2 HD2 LYS 2 5.914 15.098 -6.783 11 HD3 LYS 2 HD3 LYS 2 5.207 16.155 -8.007 12 HE2 LYS 2 HE2 LYS 2 6.705 17.646 -7.239 13 HE3 LYS 2 HE3 LYS 2 5.522 17.893 -5.956 14 HZ1 LYS 2 HZ1 LYS 2 8.051 16.396 -5.882 15 HZ2 LYS 2 HZ2 LYS 2 6.799 15.961 -4.830 16 HZ3 LYS 2 HZ3 LYS 2 7.442 17.525 -4.779 17 H ARG 3 H ARG 3 1.015 13.064 -9.082 18 HA ARG 3 HA ARG 3 -0.909 13.056 -6.876 19 HB2 ARG 3 HB2 ARG 3 -1.205 13.040 -9.652 20 HB3 ARG 3 HB3 ARG 3 -1.621 11.406 -9.153 21 HG2 ARG 3 HG2 ARG 3 -2.831 13.905 -7.991 22 HG3 ARG 3 HG3 ARG 3 -3.560 12.931 -9.270 23 HD2 ARG 3 HD2 ARG 3 -3.609 11.001 -7.766 24 HD3 ARG 3 HD3 ARG 3 -2.880 11.976 -6.491 25 HE ARG 3 HE ARG 3 -5.626 11.927 -7.249 26 HH11 ARG 3 HH11 ARG 3 -4.200 15.039 -5.175 27 HH12 ARG 3 HH12 ARG 3 -3.106 13.977 -5.998 28 HH21 ARG 3 HH21 ARG 3 -6.457 14.663 -5.272 29 HH22 ARG 3 HH22 ARG 3 -7.076 13.318 -6.169 30 H ILE 4 H ILE 4 1.790 11.608 -7.082 31 HA ILE 4 HA ILE 4 0.761 9.011 -6.177 32 HB ILE 4 HB ILE 4 3.245 9.277 -7.866 33 HG12 ILE 4 HG12 ILE 4 1.222 9.825 -9.180 34 HG13 ILE 4 HG13 ILE 4 1.966 8.319 -9.706 35 HG21 ILE 4 HG21 ILE 4 3.360 7.376 -6.443 36 HG22 ILE 4 HG22 ILE 4 1.695 6.925 -6.807 37 HG23 ILE 4 HG23 ILE 4 2.937 6.793 -8.052 38 HD11 ILE 4 HD11 ILE 4 -0.700 8.783 -8.900 39 HD12 ILE 4 HD12 ILE 4 0.044 7.272 -9.423 40 HD13 ILE 4 HD13 ILE 4 0.041 7.708 -7.715 41 H GLY 5 H GLY 5 1.077 9.793 -4.042 42 HA2 GLY 5 HA2 GLY 5 2.360 9.566 -2.105 43 HA3 GLY 5 HA3 GLY 5 3.795 9.392 -3.105 44 H VAL 6 H VAL 6 2.257 11.368 -0.952 45 HA VAL 6 HA VAL 6 3.796 13.705 -1.875 46 HB VAL 6 HB VAL 6 1.156 13.849 -0.417 47 HG11 VAL 6 HG11 VAL 6 3.015 15.905 -1.577 48 HG12 VAL 6 HG12 VAL 6 1.318 16.253 -1.243 49 HG13 VAL 6 HG13 VAL 6 2.398 15.785 0.070 50 HG21 VAL 6 HG21 VAL 6 0.441 13.135 -2.476 51 HG22 VAL 6 HG22 VAL 6 0.507 14.877 -2.748 52 HG23 VAL 6 HG23 VAL 6 1.816 13.844 -3.323 53 H ARG 7 H ARG 7 5.399 12.575 -0.434 54 HA ARG 7 HA ARG 7 4.881 12.985 2.418 55 HB2 ARG 7 HB2 ARG 7 6.931 11.677 2.777 56 HB3 ARG 7 HB3 ARG 7 5.771 10.806 1.783 57 HG2 ARG 7 HG2 ARG 7 7.048 11.012 -0.127 58 HG3 ARG 7 HG3 ARG 7 7.924 12.416 0.488 59 HD2 ARG 7 HD2 ARG 7 8.378 10.198 2.226 60 HD3 ARG 7 HD3 ARG 7 8.691 9.696 0.565 61 HE ARG 7 HE ARG 7 9.914 12.196 1.129 62 HH11 ARG 7 HH11 ARG 7 11.964 8.830 1.832 63 HH12 ARG 7 HH12 ARG 7 10.241 8.771 1.658 64 HH21 ARG 7 HH21 ARG 7 13.067 10.830 1.660 65 HH22 ARG 7 HH22 ARG 7 12.182 12.287 1.355 66 H LEU 8 H LEU 8 5.177 15.300 0.853 67 HA LEU 8 HA LEU 8 7.841 16.301 0.957 68 HB2 LEU 8 HB2 LEU 8 5.427 18.063 0.935 69 HB3 LEU 8 HB3 LEU 8 6.984 18.298 0.144 70 HG LEU 8 HG LEU 8 4.788 16.413 -0.705 71 HD11 LEU 8 HD11 LEU 8 4.578 17.823 -2.623 72 HD12 LEU 8 HD12 LEU 8 5.966 18.792 -2.129 73 HD13 LEU 8 HD13 LEU 8 4.477 18.840 -1.185 74 HD21 LEU 8 HD21 LEU 8 6.528 16.390 -2.748 75 HD22 LEU 8 HD22 LEU 8 6.535 15.192 -1.454 76 HD23 LEU 8 HD23 LEU 8 7.654 16.555 -1.401 77 HA PRO 9 HA PRO 9 8.180 17.668 5.115 78 HB2 PRO 9 HB2 PRO 9 9.697 19.899 4.810 79 HB3 PRO 9 HB3 PRO 9 10.342 18.264 4.616 80 HG2 PRO 9 HG2 PRO 9 9.459 20.214 2.522 81 HG3 PRO 9 HG3 PRO 9 10.889 19.166 2.543 82 HD2 PRO 9 HD2 PRO 9 8.655 18.554 1.142 83 HD3 PRO 9 HD3 PRO 9 9.696 17.313 1.867 84 H GLY 10 H GLY 10 8.050 19.811 6.447 85 HA2 GLY 10 HA2 GLY 10 5.475 21.002 5.790 86 HA3 GLY 10 HA3 GLY 10 6.339 21.157 7.313 87 H HIS 11 H HIS 11 8.762 21.802 5.445 88 HA HIS 11 HA HIS 11 8.523 24.636 5.718 89 HB2 HIS 11 HB2 HIS 11 10.614 22.724 4.865 90 HB3 HIS 11 HB3 HIS 11 10.731 24.342 4.179 91 HD1 HIS 11 HD1 HIS 11 10.554 22.652 7.570 92 HD2 HIS 11 HD2 HIS 11 11.868 26.188 5.827 93 HE1 HIS 11 HE1 HIS 11 11.768 23.890 9.392 94 H GLN 12 H GLN 12 7.833 22.375 3.219 95 HA GLN 12 HA GLN 12 7.911 24.342 1.094 96 HB2 GLN 12 HB2 GLN 12 7.596 21.428 1.297 97 HB3 GLN 12 HB3 GLN 12 6.612 22.172 0.044 98 HG2 GLN 12 HG2 GLN 12 8.777 23.332 -0.689 99 HG3 GLN 12 HG3 GLN 12 9.591 22.134 0.316 100 HE21 GLN 12 HE21 GLN 12 8.927 22.779 -2.732 101 HE22 GLN 12 HE22 GLN 12 8.723 21.189 -3.377 102 H LYS 13 H LYS 13 5.597 22.950 3.270 103 HA LYS 13 HA LYS 13 3.213 23.426 1.912 104 HB2 LYS 13 HB2 LYS 13 3.904 23.397 4.841 105 HB3 LYS 13 HB3 LYS 13 2.262 23.701 4.289 106 HG2 LYS 13 HG2 LYS 13 2.979 21.434 2.904 107 HG3 LYS 13 HG3 LYS 13 3.734 21.206 4.483 108 HD2 LYS 13 HD2 LYS 13 1.702 21.256 5.602 109 HD3 LYS 13 HD3 LYS 13 0.886 22.108 4.289 110 HE2 LYS 13 HE2 LYS 13 1.967 19.451 3.614 111 HE3 LYS 13 HE3 LYS 13 0.636 19.460 4.770 112 HZ1 LYS 13 HZ1 LYS 13 -0.388 19.321 2.702 113 HZ2 LYS 13 HZ2 LYS 13 0.657 20.440 1.984 114 HZ3 LYS 13 HZ3 LYS 13 -0.514 20.964 3.086 115 H ARG 14 H ARG 14 5.158 25.590 3.921 116 HA ARG 14 HA ARG 14 3.390 27.755 4.014 117 HB2 ARG 14 HB2 ARG 14 5.717 27.304 5.186 118 HB3 ARG 14 HB3 ARG 14 6.330 28.241 3.830 119 HG2 ARG 14 HG2 ARG 14 4.147 29.685 4.814 120 HG3 ARG 14 HG3 ARG 14 5.042 29.135 6.232 121 HD2 ARG 14 HD2 ARG 14 5.837 31.314 5.458 122 HD3 ARG 14 HD3 ARG 14 7.092 30.083 5.322 123 HE ARG 14 HE ARG 14 5.862 30.132 2.871 124 HH11 ARG 14 HH11 ARG 14 8.086 33.389 3.563 125 HH12 ARG 14 HH12 ARG 14 7.504 32.443 4.892 126 HH21 ARG 14 HH21 ARG 14 7.583 32.778 1.413 127 HH22 ARG 14 HH22 ARG 14 6.623 31.370 1.112 128 H ILE 15 H ILE 15 5.282 26.517 1.432 129 HA ILE 15 HA ILE 15 5.250 28.981 -0.096 130 HB ILE 15 HB ILE 15 6.115 26.202 -0.906 131 HG12 ILE 15 HG12 ILE 15 7.509 27.135 0.875 132 HG13 ILE 15 HG13 ILE 15 8.398 27.091 -0.644 133 HG21 ILE 15 HG21 ILE 15 6.304 28.859 -2.303 134 HG22 ILE 15 HG22 ILE 15 7.305 27.474 -2.736 135 HG23 ILE 15 HG23 ILE 15 5.551 27.373 -2.882 136 HD11 ILE 15 HD11 ILE 15 7.172 29.601 -0.555 137 HD12 ILE 15 HD12 ILE 15 7.818 29.314 1.061 138 HD13 ILE 15 HD13 ILE 15 8.881 29.224 -0.343 139 H ALA 16 H ALA 16 3.740 25.771 -0.271 140 HA ALA 16 HA ALA 16 2.219 26.286 -2.598 141 HB1 ALA 16 HB1 ALA 16 2.790 24.040 -1.426 142 HB2 ALA 16 HB2 ALA 16 1.315 24.350 -0.509 143 HB3 ALA 16 HB3 ALA 16 1.249 24.216 -2.266 144 H TYR 17 H TYR 17 1.806 27.169 0.705 145 HA TYR 17 HA TYR 17 -1.028 27.772 0.348 146 HB2 TYR 17 HB2 TYR 17 0.803 27.503 2.669 147 HB3 TYR 17 HB3 TYR 17 -0.521 28.651 2.836 148 HD1 TYR 17 HD1 TYR 17 -0.096 25.198 1.448 149 HD2 TYR 17 HD2 TYR 17 -2.360 27.811 3.929 150 HE1 TYR 17 HE1 TYR 17 -1.622 23.348 1.995 151 HE2 TYR 17 HE2 TYR 17 -3.891 25.968 4.483 152 HH TYR 17 HH TYR 17 -4.612 23.817 3.505 153 H SER 18 H SER 18 2.062 29.322 0.404 154 HA SER 18 HA SER 18 0.997 31.978 0.808 155 HB2 SER 18 HB2 SER 18 3.209 31.545 1.661 156 HB3 SER 18 HB3 SER 18 3.761 30.982 0.084 157 HG SER 18 HG SER 18 2.712 33.569 0.302 158 H LEU 19 H LEU 19 1.677 29.878 -1.843 159 HA LEU 19 HA LEU 19 1.674 32.021 -3.803 160 HB2 LEU 19 HB2 LEU 19 2.289 29.150 -3.774 161 HB3 LEU 19 HB3 LEU 19 1.509 29.722 -5.248 162 HG LEU 19 HG LEU 19 3.327 31.420 -5.463 163 HD11 LEU 19 HD11 LEU 19 5.346 30.218 -3.947 164 HD12 LEU 19 HD12 LEU 19 3.979 30.417 -2.852 165 HD13 LEU 19 HD13 LEU 19 4.630 31.812 -3.712 166 HD21 LEU 19 HD21 LEU 19 4.276 28.560 -5.359 167 HD22 LEU 19 HD22 LEU 19 4.961 29.868 -6.324 168 HD23 LEU 19 HD23 LEU 19 3.340 29.267 -6.676 169 H LEU 20 H LEU 20 -0.405 29.343 -2.790 170 HA LEU 20 HA LEU 20 -2.443 29.974 -4.721 171 HB2 LEU 20 HB2 LEU 20 -1.795 27.758 -3.212 172 HB3 LEU 20 HB3 LEU 20 -3.273 28.346 -2.454 173 HG LEU 20 HG LEU 20 -3.804 28.352 -5.198 174 HD11 LEU 20 HD11 LEU 20 -1.987 26.145 -4.413 175 HD12 LEU 20 HD12 LEU 20 -2.191 26.949 -5.969 176 HD13 LEU 20 HD13 LEU 20 -3.367 25.747 -5.438 177 HD21 LEU 20 HD21 LEU 20 -4.577 26.629 -2.874 178 HD22 LEU 20 HD22 LEU 20 -5.189 26.291 -4.493 179 HD23 LEU 20 HD23 LEU 20 -5.529 27.843 -3.728 180 H GLY 21 H GLY 21 -1.482 31.473 -1.964 181 HA2 GLY 21 HA2 GLY 21 -4.213 32.253 -1.183 182 HA3 GLY 21 HA3 GLY 21 -2.781 32.440 -0.181 183 H LEU 22 H LEU 22 -1.391 33.404 -2.756 184 HA LEU 22 HA LEU 22 -2.430 36.159 -2.627 185 HB2 LEU 22 HB2 LEU 22 0.070 35.257 -1.921 186 HB3 LEU 22 HB3 LEU 22 0.316 35.853 -3.561 187 HG LEU 22 HG LEU 22 0.868 37.595 -2.010 188 HD11 LEU 22 HD11 LEU 22 -0.320 38.205 -4.097 189 HD12 LEU 22 HD12 LEU 22 -0.569 39.357 -2.785 190 HD13 LEU 22 HD13 LEU 22 -1.835 38.200 -3.195 191 HD21 LEU 22 HD21 LEU 22 -0.780 36.536 -0.257 192 HD22 LEU 22 HD22 LEU 22 -1.904 37.719 -0.928 193 HD23 LEU 22 HD23 LEU 22 -0.384 38.254 -0.209 194 H LYS 23 H LYS 23 -1.495 33.520 -4.650 195 HA LYS 23 HA LYS 23 -1.745 35.168 -7.063 196 HB2 LYS 23 HB2 LYS 23 0.080 33.251 -6.465 197 HB3 LYS 23 HB3 LYS 23 -1.118 32.293 -7.326 198 HG2 LYS 23 HG2 LYS 23 0.008 32.920 -9.151 199 HG3 LYS 23 HG3 LYS 23 -0.872 34.440 -8.972 200 HD2 LYS 23 HD2 LYS 23 1.747 33.988 -7.580 201 HD3 LYS 23 HD3 LYS 23 1.687 34.529 -9.259 202 HE2 LYS 23 HE2 LYS 23 0.177 36.394 -8.469 203 HE3 LYS 23 HE3 LYS 23 0.586 35.914 -6.823 204 HZ1 LYS 23 HZ1 LYS 23 1.977 37.736 -7.660 205 HZ2 LYS 23 HZ2 LYS 23 2.560 36.729 -8.887 206 HZ3 LYS 23 HZ3 LYS 23 2.891 36.368 -7.268 207 H ASP 24 H ASP 24 -3.723 33.512 -5.079 208 HA ASP 24 HA ASP 24 -5.491 32.678 -7.285 209 HB2 ASP 24 HB2 ASP 24 -4.487 31.008 -5.396 210 HB3 ASP 24 HB3 ASP 24 -5.980 31.519 -4.612 211 H GLN 25 H GLN 25 -5.199 34.337 -4.223 212 HA GLN 25 HA GLN 25 -8.029 35.081 -4.287 213 HB2 GLN 25 HB2 GLN 25 -6.181 34.562 -2.203 214 HB3 GLN 25 HB3 GLN 25 -6.614 36.263 -2.094 215 HG2 GLN 25 HG2 GLN 25 -8.758 34.216 -2.405 216 HG3 GLN 25 HG3 GLN 25 -8.004 34.466 -0.831 217 HE21 GLN 25 HE21 GLN 25 -10.267 35.607 -3.090 218 HE22 GLN 25 HE22 GLN 25 -10.748 37.035 -2.246 219 H VAL 26 H VAL 26 -5.949 36.117 -6.155 220 HA VAL 26 HA VAL 26 -5.270 38.770 -5.508 221 HB VAL 26 HB VAL 26 -4.206 37.525 -7.346 222 HG11 VAL 26 HG11 VAL 26 -5.333 37.229 -9.473 223 HG12 VAL 26 HG12 VAL 26 -6.232 36.414 -8.193 224 HG13 VAL 26 HG13 VAL 26 -6.800 37.960 -8.823 225 HG21 VAL 26 HG21 VAL 26 -4.173 39.372 -8.989 226 HG22 VAL 26 HG22 VAL 26 -5.553 40.098 -8.166 227 HG23 VAL 26 HG23 VAL 26 -4.011 39.935 -7.325 228 HN1 NH2 27 HN1 NH2 27 -8.201 37.320 -6.753 229 HN2 NH2 27 HN2 NH2 27 -9.115 38.783 -6.908 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -4.142 8.520 3.640 2 H2 ACE 1 H2 ACE 1 -3.791 7.076 2.660 3 H3 ACE 1 H3 ACE 1 -3.206 7.176 4.339 4 H LYS 2 H LYS 2 -1.441 6.569 2.460 5 HA LYS 2 HA LYS 2 0.086 9.062 2.081 6 HB2 LYS 2 HB2 LYS 2 0.803 7.020 3.718 7 HB3 LYS 2 HB3 LYS 2 1.580 6.518 2.223 8 HG2 LYS 2 HG2 LYS 2 2.016 9.328 2.823 9 HG3 LYS 2 HG3 LYS 2 2.612 8.252 4.089 10 HD2 LYS 2 HD2 LYS 2 3.713 6.926 2.204 11 HD3 LYS 2 HD3 LYS 2 3.371 8.324 1.181 12 HE2 LYS 2 HE2 LYS 2 4.546 9.242 3.606 13 HE3 LYS 2 HE3 LYS 2 5.535 7.927 2.971 14 HZ1 LYS 2 HZ1 LYS 2 5.274 10.595 2.026 15 HZ2 LYS 2 HZ2 LYS 2 4.917 9.490 0.797 16 HZ3 LYS 2 HZ3 LYS 2 6.406 9.413 1.596 17 H ARG 3 H ARG 3 -1.774 7.724 0.228 18 HA ARG 3 HA ARG 3 0.066 6.827 -1.876 19 HB2 ARG 3 HB2 ARG 3 -2.334 5.775 -1.038 20 HB3 ARG 3 HB3 ARG 3 -2.804 6.706 -2.453 21 HG2 ARG 3 HG2 ARG 3 -0.611 4.645 -2.428 22 HG3 ARG 3 HG3 ARG 3 -2.273 4.336 -2.935 23 HD2 ARG 3 HD2 ARG 3 -2.038 6.070 -4.670 24 HD3 ARG 3 HD3 ARG 3 -0.361 6.309 -4.180 25 HE ARG 3 HE ARG 3 -0.537 3.643 -4.740 26 HH11 ARG 3 HH11 ARG 3 -0.848 5.898 -8.034 27 HH12 ARG 3 HH12 ARG 3 -1.215 6.580 -6.484 28 HH21 ARG 3 HH21 ARG 3 -0.187 3.711 -8.199 29 HH22 ARG 3 HH22 ARG 3 -0.051 2.735 -6.775 30 H ILE 4 H ILE 4 -0.653 9.661 -0.924 31 HA ILE 4 HA ILE 4 -1.427 10.718 -3.565 32 HB ILE 4 HB ILE 4 -1.748 12.154 -0.932 33 HG12 ILE 4 HG12 ILE 4 -4.283 11.630 -1.731 34 HG13 ILE 4 HG13 ILE 4 -3.471 10.175 -2.300 35 HG21 ILE 4 HG21 ILE 4 -2.259 13.924 -2.166 36 HG22 ILE 4 HG22 ILE 4 -1.863 13.006 -3.618 37 HG23 ILE 4 HG23 ILE 4 -3.515 13.010 -3.001 38 HD11 ILE 4 HD11 ILE 4 -3.393 9.343 -0.252 39 HD12 ILE 4 HD12 ILE 4 -2.672 10.819 0.389 40 HD13 ILE 4 HD13 ILE 4 -4.425 10.680 0.256 41 H GLY 5 H GLY 5 0.913 10.730 -1.020 42 HA2 GLY 5 HA2 GLY 5 3.138 11.422 -1.224 43 HA3 GLY 5 HA3 GLY 5 2.709 12.297 -2.686 44 H VAL 6 H VAL 6 3.673 12.651 0.445 45 HA VAL 6 HA VAL 6 2.463 15.331 0.658 46 HB VAL 6 HB VAL 6 1.834 13.818 2.502 47 HG11 VAL 6 HG11 VAL 6 4.722 13.859 3.340 48 HG12 VAL 6 HG12 VAL 6 3.399 12.905 4.014 49 HG13 VAL 6 HG13 VAL 6 4.021 12.539 2.404 50 HG21 VAL 6 HG21 VAL 6 1.777 15.579 3.868 51 HG22 VAL 6 HG22 VAL 6 3.534 15.610 4.022 52 HG23 VAL 6 HG23 VAL 6 2.753 16.427 2.668 53 H ARG 7 H ARG 7 5.380 13.523 0.433 54 HA ARG 7 HA ARG 7 6.986 15.889 1.110 55 HB2 ARG 7 HB2 ARG 7 7.739 12.974 0.862 56 HB3 ARG 7 HB3 ARG 7 8.904 14.267 1.116 57 HG2 ARG 7 HG2 ARG 7 7.033 14.674 3.107 58 HG3 ARG 7 HG3 ARG 7 7.183 12.918 3.014 59 HD2 ARG 7 HD2 ARG 7 9.734 13.396 2.994 60 HD3 ARG 7 HD3 ARG 7 9.269 14.968 3.643 61 HE ARG 7 HE ARG 7 8.068 12.832 5.093 62 HH11 ARG 7 HH11 ARG 7 11.607 14.279 6.280 63 HH12 ARG 7 HH12 ARG 7 11.037 14.602 4.677 64 HH21 ARG 7 HH21 ARG 7 10.338 13.026 7.719 65 HH22 ARG 7 HH22 ARG 7 8.808 12.400 7.207 66 H LEU 8 H LEU 8 5.531 15.706 -1.364 67 HA LEU 8 HA LEU 8 6.949 14.835 -3.562 68 HB2 LEU 8 HB2 LEU 8 5.849 16.856 -4.721 69 HB3 LEU 8 HB3 LEU 8 4.822 15.602 -4.028 70 HG LEU 8 HG LEU 8 5.329 17.736 -2.135 71 HD11 LEU 8 HD11 LEU 8 3.932 19.418 -3.309 72 HD12 LEU 8 HD12 LEU 8 4.078 18.457 -4.780 73 HD13 LEU 8 HD13 LEU 8 5.514 19.172 -4.047 74 HD21 LEU 8 HD21 LEU 8 3.561 16.300 -1.666 75 HD22 LEU 8 HD22 LEU 8 2.963 16.335 -3.325 76 HD23 LEU 8 HD23 LEU 8 2.757 17.744 -2.283 77 HA PRO 9 HA PRO 9 10.523 17.344 -4.002 78 HB2 PRO 9 HB2 PRO 9 10.665 17.644 -6.697 79 HB3 PRO 9 HB3 PRO 9 11.022 16.117 -5.880 80 HG2 PRO 9 HG2 PRO 9 8.515 16.981 -7.270 81 HG3 PRO 9 HG3 PRO 9 9.349 15.417 -7.335 82 HD2 PRO 9 HD2 PRO 9 7.160 15.839 -5.798 83 HD3 PRO 9 HD3 PRO 9 8.452 14.714 -5.332 84 H GLY 10 H GLY 10 11.297 19.448 -4.517 85 HA2 GLY 10 HA2 GLY 10 11.141 21.708 -4.953 86 HA3 GLY 10 HA3 GLY 10 9.636 21.390 -5.803 87 H HIS 11 H HIS 11 11.040 22.724 -3.051 88 HA HIS 11 HA HIS 11 8.545 22.637 -1.518 89 HB2 HIS 11 HB2 HIS 11 11.294 22.626 -0.799 90 HB3 HIS 11 HB3 HIS 11 10.592 24.117 -0.178 91 HD1 HIS 11 HD1 HIS 11 8.365 23.742 1.343 92 HD2 HIS 11 HD2 HIS 11 10.808 20.437 0.735 93 HE1 HIS 11 HE1 HIS 11 7.727 22.096 3.133 94 H GLN 12 H GLN 12 10.456 24.722 -3.477 95 HA GLN 12 HA GLN 12 9.518 27.209 -2.474 96 HB2 GLN 12 HB2 GLN 12 10.905 26.324 -4.975 97 HB3 GLN 12 HB3 GLN 12 10.236 27.947 -4.886 98 HG2 GLN 12 HG2 GLN 12 11.707 28.610 -3.239 99 HG3 GLN 12 HG3 GLN 12 12.026 26.957 -2.715 100 HE21 GLN 12 HE21 GLN 12 13.498 29.458 -4.003 101 HE22 GLN 12 HE22 GLN 12 14.619 28.686 -5.067 102 H LYS 13 H LYS 13 8.277 24.886 -4.749 103 HA LYS 13 HA LYS 13 6.450 26.510 -6.128 104 HB2 LYS 13 HB2 LYS 13 6.226 23.572 -5.448 105 HB3 LYS 13 HB3 LYS 13 5.282 24.412 -6.671 106 HG2 LYS 13 HG2 LYS 13 8.053 24.879 -7.158 107 HG3 LYS 13 HG3 LYS 13 7.781 23.147 -6.958 108 HD2 LYS 13 HD2 LYS 13 5.987 24.790 -8.709 109 HD3 LYS 13 HD3 LYS 13 7.534 24.190 -9.312 110 HE2 LYS 13 HE2 LYS 13 5.436 22.427 -8.061 111 HE3 LYS 13 HE3 LYS 13 5.541 22.730 -9.794 112 HZ1 LYS 13 HZ1 LYS 13 7.467 21.539 -9.981 113 HZ2 LYS 13 HZ2 LYS 13 6.710 20.675 -8.740 114 HZ3 LYS 13 HZ3 LYS 13 7.930 21.788 -8.373 115 H ARG 14 H ARG 14 6.266 24.904 -3.016 116 HA ARG 14 HA ARG 14 3.461 25.370 -2.656 117 HB2 ARG 14 HB2 ARG 14 4.908 23.565 -1.539 118 HB3 ARG 14 HB3 ARG 14 5.439 24.840 -0.450 119 HG2 ARG 14 HG2 ARG 14 2.673 25.043 -0.445 120 HG3 ARG 14 HG3 ARG 14 2.994 23.307 -0.447 121 HD2 ARG 14 HD2 ARG 14 2.851 24.146 1.829 122 HD3 ARG 14 HD3 ARG 14 4.487 23.590 1.476 123 HE ARG 14 HE ARG 14 4.608 26.233 0.929 124 HH11 ARG 14 HH11 ARG 14 3.910 25.648 4.827 125 HH12 ARG 14 HH12 ARG 14 3.502 24.413 3.683 126 HH21 ARG 14 HH21 ARG 14 4.847 27.612 4.111 127 HH22 ARG 14 HH22 ARG 14 5.150 27.866 2.425 128 H ILE 15 H ILE 15 6.294 27.245 -2.283 129 HA ILE 15 HA ILE 15 5.131 29.072 -0.353 130 HB ILE 15 HB ILE 15 7.731 29.257 -1.879 131 HG12 ILE 15 HG12 ILE 15 7.260 28.518 1.015 132 HG13 ILE 15 HG13 ILE 15 7.518 27.341 -0.268 133 HG21 ILE 15 HG21 ILE 15 7.990 30.792 0.373 134 HG22 ILE 15 HG22 ILE 15 7.650 31.400 -1.247 135 HG23 ILE 15 HG23 ILE 15 6.326 31.113 -0.117 136 HD11 ILE 15 HD11 ILE 15 9.646 27.488 0.439 137 HD12 ILE 15 HD12 ILE 15 9.673 28.888 -0.634 138 HD13 ILE 15 HD13 ILE 15 9.430 29.110 1.098 139 H ALA 16 H ALA 16 6.177 29.178 -3.751 140 HA ALA 16 HA ALA 16 5.260 31.826 -4.210 141 HB1 ALA 16 HB1 ALA 16 6.766 29.957 -5.613 142 HB2 ALA 16 HB2 ALA 16 5.329 30.211 -6.604 143 HB3 ALA 16 HB3 ALA 16 6.335 31.584 -6.141 144 H TYR 17 H TYR 17 3.688 28.778 -4.080 145 HA TYR 17 HA TYR 17 1.378 29.708 -5.600 146 HB2 TYR 17 HB2 TYR 17 2.217 27.389 -5.910 147 HB3 TYR 17 HB3 TYR 17 1.827 27.050 -4.227 148 HD1 TYR 17 HD1 TYR 17 0.229 28.261 -7.376 149 HD2 TYR 17 HD2 TYR 17 -0.247 26.154 -3.710 150 HE1 TYR 17 HE1 TYR 17 -2.056 27.637 -8.038 151 HE2 TYR 17 HE2 TYR 17 -2.533 25.522 -4.363 152 HH TYR 17 HH TYR 17 -3.675 25.566 -7.337 153 H SER 18 H SER 18 2.447 29.319 -2.343 154 HA SER 18 HA SER 18 -0.159 29.305 -1.146 155 HB2 SER 18 HB2 SER 18 1.192 29.812 0.968 156 HB3 SER 18 HB3 SER 18 1.549 28.293 0.147 157 HG SER 18 HG SER 18 3.016 30.714 -0.083 158 H LEU 19 H LEU 19 2.356 31.737 -1.687 159 HA LEU 19 HA LEU 19 0.983 33.847 -0.372 160 HB2 LEU 19 HB2 LEU 19 3.473 33.462 -1.684 161 HB3 LEU 19 HB3 LEU 19 2.697 34.878 -2.390 162 HG LEU 19 HG LEU 19 4.191 35.535 -0.602 163 HD11 LEU 19 HD11 LEU 19 1.258 35.831 -0.011 164 HD12 LEU 19 HD12 LEU 19 2.320 36.958 -0.855 165 HD13 LEU 19 HD13 LEU 19 2.514 36.693 0.878 166 HD21 LEU 19 HD21 LEU 19 3.917 34.817 1.664 167 HD22 LEU 19 HD22 LEU 19 4.049 33.382 0.648 168 HD23 LEU 19 HD23 LEU 19 2.472 33.894 1.251 169 H LEU 20 H LEU 20 1.306 32.921 -3.785 170 HA LEU 20 HA LEU 20 -0.345 35.039 -4.745 171 HB2 LEU 20 HB2 LEU 20 0.995 32.667 -5.872 172 HB3 LEU 20 HB3 LEU 20 -0.439 33.219 -6.734 173 HG LEU 20 HG LEU 20 1.560 34.147 -7.736 174 HD11 LEU 20 HD11 LEU 20 0.521 36.069 -8.161 175 HD12 LEU 20 HD12 LEU 20 0.665 36.610 -6.489 176 HD13 LEU 20 HD13 LEU 20 -0.676 35.569 -6.966 177 HD21 LEU 20 HD21 LEU 20 2.745 34.095 -5.395 178 HD22 LEU 20 HD22 LEU 20 2.152 35.754 -5.298 179 HD23 LEU 20 HD23 LEU 20 3.216 35.273 -6.621 180 H GLY 21 H GLY 21 -0.969 31.989 -3.323 181 HA2 GLY 21 HA2 GLY 21 -3.565 31.606 -4.521 182 HA3 GLY 21 HA3 GLY 21 -2.877 30.677 -3.197 183 H LEU 22 H LEU 22 -2.312 33.232 -1.722 184 HA LEU 22 HA LEU 22 -5.038 33.607 -0.690 185 HB2 LEU 22 HB2 LEU 22 -2.797 32.861 0.641 186 HB3 LEU 22 HB3 LEU 22 -2.763 34.606 0.884 187 HG LEU 22 HG LEU 22 -5.219 34.276 1.680 188 HD11 LEU 22 HD11 LEU 22 -5.291 31.898 0.941 189 HD12 LEU 22 HD12 LEU 22 -5.720 32.144 2.634 190 HD13 LEU 22 HD13 LEU 22 -4.125 31.520 2.210 191 HD21 LEU 22 HD21 LEU 22 -2.675 33.713 3.126 192 HD22 LEU 22 HD22 LEU 22 -4.208 33.489 3.969 193 HD23 LEU 22 HD23 LEU 22 -3.794 35.066 3.295 194 H LYS 23 H LYS 23 -2.295 35.240 -2.049 195 HA LYS 23 HA LYS 23 -3.234 37.886 -1.379 196 HB2 LYS 23 HB2 LYS 23 -1.005 36.891 -3.155 197 HB3 LYS 23 HB3 LYS 23 -1.370 38.597 -2.933 198 HG2 LYS 23 HG2 LYS 23 -0.632 36.697 -0.717 199 HG3 LYS 23 HG3 LYS 23 0.485 37.803 -1.518 200 HD2 LYS 23 HD2 LYS 23 -0.085 39.306 0.029 201 HD3 LYS 23 HD3 LYS 23 -1.647 39.415 -0.786 202 HE2 LYS 23 HE2 LYS 23 -2.425 38.878 1.267 203 HE3 LYS 23 HE3 LYS 23 -2.078 37.239 0.721 204 HZ1 LYS 23 HZ1 LYS 23 -1.151 37.520 2.878 205 HZ2 LYS 23 HZ2 LYS 23 -0.366 38.951 2.435 206 HZ3 LYS 23 HZ3 LYS 23 0.137 37.474 1.782 207 H ASP 24 H ASP 24 -3.941 35.589 -3.755 208 HA ASP 24 HA ASP 24 -4.984 37.650 -5.579 209 HB2 ASP 24 HB2 ASP 24 -3.332 35.759 -6.337 210 HB3 ASP 24 HB3 ASP 24 -4.781 34.758 -6.334 211 H GLN 25 H GLN 25 -5.819 34.969 -3.543 212 HA GLN 25 HA GLN 25 -8.589 35.007 -4.494 213 HB2 GLN 25 HB2 GLN 25 -7.004 32.899 -3.863 214 HB3 GLN 25 HB3 GLN 25 -7.825 33.151 -2.328 215 HG2 GLN 25 HG2 GLN 25 -9.303 32.900 -4.928 216 HG3 GLN 25 HG3 GLN 25 -8.881 31.509 -3.930 217 HE21 GLN 25 HE21 GLN 25 -11.094 33.998 -4.470 218 HE22 GLN 25 HE22 GLN 25 -12.071 33.770 -3.063 219 H VAL 26 H VAL 26 -7.264 37.111 -2.815 220 HA VAL 26 HA VAL 26 -7.694 38.403 -0.983 221 HB VAL 26 HB VAL 26 -10.455 37.257 -1.419 222 HG11 VAL 26 HG11 VAL 26 -10.754 38.134 0.657 223 HG12 VAL 26 HG12 VAL 26 -9.410 39.266 0.495 224 HG13 VAL 26 HG13 VAL 26 -10.955 39.611 -0.285 225 HG21 VAL 26 HG21 VAL 26 -9.503 39.987 -2.210 226 HG22 VAL 26 HG22 VAL 26 -9.252 38.595 -3.263 227 HG23 VAL 26 HG23 VAL 26 -10.888 39.075 -2.812 228 HN1 NH2 27 HN1 NH2 27 -6.360 37.246 0.477 229 HN2 NH2 27 HN2 NH2 27 -7.034 36.234 1.711 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 7.691 10.001 -9.239 2 H2 ACE 1 H2 ACE 1 8.098 8.534 -8.317 3 H3 ACE 1 H3 ACE 1 7.265 8.398 -9.885 4 H LYS 2 H LYS 2 5.518 7.338 -9.141 5 HA LYS 2 HA LYS 2 3.644 8.956 -7.566 6 HB2 LYS 2 HB2 LYS 2 2.993 8.154 -9.862 7 HB3 LYS 2 HB3 LYS 2 3.038 6.512 -9.235 8 HG2 LYS 2 HG2 LYS 2 1.423 8.177 -7.542 9 HG3 LYS 2 HG3 LYS 2 0.882 8.287 -9.219 10 HD2 LYS 2 HD2 LYS 2 0.887 5.782 -9.291 11 HD3 LYS 2 HD3 LYS 2 1.203 5.793 -7.554 12 HE2 LYS 2 HE2 LYS 2 -0.876 6.841 -7.097 13 HE3 LYS 2 HE3 LYS 2 -1.147 7.199 -8.802 14 HZ1 LYS 2 HZ1 LYS 2 -1.465 4.901 -9.261 15 HZ2 LYS 2 HZ2 LYS 2 -2.445 5.288 -7.938 16 HZ3 LYS 2 HZ3 LYS 2 -0.995 4.449 -7.699 17 H ARG 3 H ARG 3 5.505 6.064 -7.491 18 HA ARG 3 HA ARG 3 4.024 5.085 -5.149 19 HB2 ARG 3 HB2 ARG 3 4.952 3.723 -7.353 20 HB3 ARG 3 HB3 ARG 3 6.202 3.407 -6.158 21 HG2 ARG 3 HG2 ARG 3 3.263 2.926 -5.719 22 HG3 ARG 3 HG3 ARG 3 4.423 1.692 -6.216 23 HD2 ARG 3 HD2 ARG 3 5.703 2.086 -4.159 24 HD3 ARG 3 HD3 ARG 3 4.521 3.297 -3.664 25 HE ARG 3 HE ARG 3 3.039 1.051 -4.079 26 HH11 ARG 3 HH11 ARG 3 5.454 0.660 -0.911 27 HH12 ARG 3 HH12 ARG 3 5.832 1.814 -2.146 28 HH21 ARG 3 HH21 ARG 3 3.577 -0.641 -1.090 29 HH22 ARG 3 HH22 ARG 3 2.531 -0.472 -2.459 30 H ILE 4 H ILE 4 6.140 7.300 -5.420 31 HA ILE 4 HA ILE 4 8.314 6.291 -3.795 32 HB ILE 4 HB ILE 4 8.854 7.934 -5.487 33 HG12 ILE 4 HG12 ILE 4 10.054 9.572 -4.098 34 HG13 ILE 4 HG13 ILE 4 9.067 9.124 -2.711 35 HG21 ILE 4 HG21 ILE 4 6.465 9.180 -4.576 36 HG22 ILE 4 HG22 ILE 4 7.792 10.328 -4.413 37 HG23 ILE 4 HG23 ILE 4 7.456 9.585 -5.977 38 HD11 ILE 4 HD11 ILE 4 10.116 7.083 -2.465 39 HD12 ILE 4 HD12 ILE 4 10.698 7.065 -4.131 40 HD13 ILE 4 HD13 ILE 4 11.438 8.145 -2.949 41 H GLY 5 H GLY 5 5.300 7.926 -3.346 42 HA2 GLY 5 HA2 GLY 5 4.211 8.025 -1.243 43 HA3 GLY 5 HA3 GLY 5 5.780 7.933 -0.455 44 H VAL 6 H VAL 6 3.247 9.922 -1.031 45 HA VAL 6 HA VAL 6 4.920 12.315 -0.655 46 HB VAL 6 HB VAL 6 2.408 12.191 -2.331 47 HG11 VAL 6 HG11 VAL 6 2.325 14.339 -1.594 48 HG12 VAL 6 HG12 VAL 6 4.059 14.413 -1.271 49 HG13 VAL 6 HG13 VAL 6 3.460 14.563 -2.924 50 HG21 VAL 6 HG21 VAL 6 3.775 11.499 -3.952 51 HG22 VAL 6 HG22 VAL 6 4.490 13.110 -3.904 52 HG23 VAL 6 HG23 VAL 6 5.212 11.797 -2.974 53 H ARG 7 H ARG 7 4.459 11.849 1.621 54 HA ARG 7 HA ARG 7 1.783 12.808 2.400 55 HB2 ARG 7 HB2 ARG 7 3.496 10.639 3.566 56 HB3 ARG 7 HB3 ARG 7 2.343 11.494 4.582 57 HG2 ARG 7 HG2 ARG 7 0.747 10.870 2.518 58 HG3 ARG 7 HG3 ARG 7 1.888 9.526 2.438 59 HD2 ARG 7 HD2 ARG 7 1.421 9.542 5.073 60 HD3 ARG 7 HD3 ARG 7 -0.112 10.208 4.510 61 HE ARG 7 HE ARG 7 -0.671 8.137 3.732 62 HH11 ARG 7 HH11 ARG 7 3.012 6.575 3.888 63 HH12 ARG 7 HH12 ARG 7 2.774 8.260 4.217 64 HH21 ARG 7 HH21 ARG 7 1.222 5.244 3.364 65 HH22 ARG 7 HH22 ARG 7 -0.371 5.918 3.297 66 H LEU 8 H LEU 8 4.182 14.374 1.884 67 HA LEU 8 HA LEU 8 5.062 15.221 4.530 68 HB2 LEU 8 HB2 LEU 8 5.963 15.681 1.740 69 HB3 LEU 8 HB3 LEU 8 6.318 16.930 2.931 70 HG LEU 8 HG LEU 8 7.243 14.800 4.261 71 HD11 LEU 8 HD11 LEU 8 7.399 14.089 1.346 72 HD12 LEU 8 HD12 LEU 8 6.797 13.112 2.685 73 HD13 LEU 8 HD13 LEU 8 8.523 13.442 2.542 74 HD21 LEU 8 HD21 LEU 8 8.342 16.917 2.663 75 HD22 LEU 8 HD22 LEU 8 9.355 15.478 2.546 76 HD23 LEU 8 HD23 LEU 8 8.984 16.170 4.126 77 HA PRO 9 HA PRO 9 2.488 18.756 4.884 78 HB2 PRO 9 HB2 PRO 9 4.181 20.623 5.895 79 HB3 PRO 9 HB3 PRO 9 3.590 19.251 6.839 80 HG2 PRO 9 HG2 PRO 9 6.209 19.594 5.431 81 HG3 PRO 9 HG3 PRO 9 5.883 18.923 7.040 82 HD2 PRO 9 HD2 PRO 9 6.342 17.361 4.876 83 HD3 PRO 9 HD3 PRO 9 5.261 16.870 6.197 84 H GLY 10 H GLY 10 5.452 19.088 3.053 85 HA2 GLY 10 HA2 GLY 10 5.746 20.151 1.009 86 HA3 GLY 10 HA3 GLY 10 4.112 20.787 1.139 87 H HIS 11 H HIS 11 7.411 21.484 1.394 88 HA HIS 11 HA HIS 11 7.090 23.826 3.067 89 HB2 HIS 11 HB2 HIS 11 9.334 22.308 1.923 90 HB3 HIS 11 HB3 HIS 11 9.589 24.050 1.975 91 HD1 HIS 11 HD1 HIS 11 8.583 21.249 4.341 92 HD2 HIS 11 HD2 HIS 11 10.469 24.951 4.375 93 HE1 HIS 11 HE1 HIS 11 9.411 21.560 6.695 94 H GLN 12 H GLN 12 7.001 23.036 -0.280 95 HA GLN 12 HA GLN 12 7.419 25.791 -1.124 96 HB2 GLN 12 HB2 GLN 12 8.062 23.444 -2.315 97 HB3 GLN 12 HB3 GLN 12 6.524 23.783 -3.098 98 HG2 GLN 12 HG2 GLN 12 7.685 25.018 -4.527 99 HG3 GLN 12 HG3 GLN 12 7.830 26.197 -3.225 100 HE21 GLN 12 HE21 GLN 12 9.370 23.182 -4.293 101 HE22 GLN 12 HE22 GLN 12 10.991 23.710 -4.011 102 H LYS 13 H LYS 13 4.846 23.517 -0.594 103 HA LYS 13 HA LYS 13 2.807 24.651 -2.116 104 HB2 LYS 13 HB2 LYS 13 2.998 22.831 0.171 105 HB3 LYS 13 HB3 LYS 13 1.511 23.769 0.150 106 HG2 LYS 13 HG2 LYS 13 2.333 22.479 -2.384 107 HG3 LYS 13 HG3 LYS 13 1.749 21.433 -1.087 108 HD2 LYS 13 HD2 LYS 13 -0.367 22.309 -1.151 109 HD3 LYS 13 HD3 LYS 13 0.183 23.877 -1.745 110 HE2 LYS 13 HE2 LYS 13 -0.086 23.271 -3.878 111 HE3 LYS 13 HE3 LYS 13 0.714 21.721 -3.621 112 HZ1 LYS 13 HZ1 LYS 13 -1.327 20.912 -3.999 113 HZ2 LYS 13 HZ2 LYS 13 -2.107 22.366 -3.625 114 HZ3 LYS 13 HZ3 LYS 13 -1.622 21.323 -2.384 115 H ARG 14 H ARG 14 3.944 25.459 1.134 116 HA ARG 14 HA ARG 14 1.950 27.299 1.814 117 HB2 ARG 14 HB2 ARG 14 3.475 26.484 3.489 118 HB3 ARG 14 HB3 ARG 14 4.854 27.156 2.628 119 HG2 ARG 14 HG2 ARG 14 2.787 29.106 3.360 120 HG3 ARG 14 HG3 ARG 14 3.618 28.344 4.717 121 HD2 ARG 14 HD2 ARG 14 5.471 29.524 4.348 122 HD3 ARG 14 HD3 ARG 14 5.471 29.108 2.635 123 HE ARG 14 HE ARG 14 4.566 31.156 2.185 124 HH11 ARG 14 HH11 ARG 14 3.473 32.007 5.941 125 HH12 ARG 14 HH12 ARG 14 4.103 30.439 5.560 126 HH21 ARG 14 HH21 ARG 14 3.264 33.590 4.298 127 HH22 ARG 14 HH22 ARG 14 3.737 33.224 2.674 128 H ILE 15 H ILE 15 4.534 27.525 -0.434 129 HA ILE 15 HA ILE 15 4.558 30.423 -0.485 130 HB ILE 15 HB ILE 15 5.924 28.435 -2.304 131 HG12 ILE 15 HG12 ILE 15 7.155 30.131 -0.131 132 HG13 ILE 15 HG13 ILE 15 6.604 28.482 0.147 133 HG21 ILE 15 HG21 ILE 15 7.362 30.490 -2.807 134 HG22 ILE 15 HG22 ILE 15 5.761 30.413 -3.541 135 HG23 ILE 15 HG23 ILE 15 6.033 31.428 -2.125 136 HD11 ILE 15 HD11 ILE 15 8.991 29.472 -1.240 137 HD12 ILE 15 HD12 ILE 15 8.727 27.972 -0.350 138 HD13 ILE 15 HD13 ILE 15 8.170 28.119 -2.017 139 H ALA 16 H ALA 16 3.540 27.775 -2.622 140 HA ALA 16 HA ALA 16 2.556 29.428 -4.694 141 HB1 ALA 16 HB1 ALA 16 1.135 27.204 -5.080 142 HB2 ALA 16 HB2 ALA 16 2.846 27.325 -5.493 143 HB3 ALA 16 HB3 ALA 16 2.356 26.562 -3.981 144 H TYR 17 H TYR 17 1.273 28.506 -1.634 145 HA TYR 17 HA TYR 17 -1.450 29.248 -2.381 146 HB2 TYR 17 HB2 TYR 17 -0.936 27.239 -0.924 147 HB3 TYR 17 HB3 TYR 17 -0.468 28.373 0.338 148 HD1 TYR 17 HD1 TYR 17 -3.324 27.445 -1.864 149 HD2 TYR 17 HD2 TYR 17 -2.079 29.247 1.784 150 HE1 TYR 17 HE1 TYR 17 -5.672 27.608 -1.151 151 HE2 TYR 17 HE2 TYR 17 -4.424 29.413 2.508 152 HH TYR 17 HH TYR 17 -6.589 28.264 2.014 153 H SER 18 H SER 18 1.325 30.507 -0.748 154 HA SER 18 HA SER 18 -0.123 32.600 0.620 155 HB2 SER 18 HB2 SER 18 1.840 31.811 1.729 156 HB3 SER 18 HB3 SER 18 2.821 32.015 0.279 157 HG SER 18 HG SER 18 1.689 34.033 1.913 158 H LEU 19 H LEU 19 1.414 32.139 -2.434 159 HA LEU 19 HA LEU 19 1.607 34.981 -2.995 160 HB2 LEU 19 HB2 LEU 19 2.998 32.793 -3.868 161 HB3 LEU 19 HB3 LEU 19 1.926 33.118 -5.229 162 HG LEU 19 HG LEU 19 2.815 35.394 -5.384 163 HD11 LEU 19 HD11 LEU 19 3.859 36.336 -3.674 164 HD12 LEU 19 HD12 LEU 19 5.165 35.160 -3.820 165 HD13 LEU 19 HD13 LEU 19 3.785 34.819 -2.777 166 HD21 LEU 19 HD21 LEU 19 3.859 33.708 -6.738 167 HD22 LEU 19 HD22 LEU 19 4.875 33.192 -5.391 168 HD23 LEU 19 HD23 LEU 19 5.110 34.784 -6.115 169 H LEU 20 H LEU 20 -0.308 32.192 -4.033 170 HA LEU 20 HA LEU 20 -1.898 33.751 -5.856 171 HB2 LEU 20 HB2 LEU 20 -1.354 31.069 -5.541 172 HB3 LEU 20 HB3 LEU 20 -3.026 31.204 -5.001 173 HG LEU 20 HG LEU 20 -3.172 32.564 -7.322 174 HD11 LEU 20 HD11 LEU 20 -0.650 31.751 -7.546 175 HD12 LEU 20 HD12 LEU 20 -1.727 31.889 -8.935 176 HD13 LEU 20 HD13 LEU 20 -1.450 30.316 -8.189 177 HD21 LEU 20 HD21 LEU 20 -4.692 30.826 -6.741 178 HD22 LEU 20 HD22 LEU 20 -3.426 29.602 -6.842 179 HD23 LEU 20 HD23 LEU 20 -3.992 30.409 -8.305 180 H GLY 21 H GLY 21 -1.801 33.617 -2.577 181 HA2 GLY 21 HA2 GLY 21 -4.713 33.931 -2.265 182 HA3 GLY 21 HA3 GLY 21 -3.589 33.560 -0.966 183 H LEU 22 H LEU 22 -1.764 35.683 -2.252 184 HA LEU 22 HA LEU 22 -3.134 38.001 -1.054 185 HB2 LEU 22 HB2 LEU 22 -0.777 36.829 -0.258 186 HB3 LEU 22 HB3 LEU 22 -0.229 38.174 -1.257 187 HG LEU 22 HG LEU 22 -2.063 38.420 1.127 188 HD11 LEU 22 HD11 LEU 22 -0.057 39.533 2.146 189 HD12 LEU 22 HD12 LEU 22 0.895 38.877 0.815 190 HD13 LEU 22 HD13 LEU 22 0.076 37.787 1.934 191 HD21 LEU 22 HD21 LEU 22 -0.991 40.335 -0.885 192 HD22 LEU 22 HD22 LEU 22 -1.178 40.875 0.783 193 HD23 LEU 22 HD23 LEU 22 -2.575 40.276 -0.112 194 H LYS 23 H LYS 23 -1.434 36.750 -3.790 195 HA LYS 23 HA LYS 23 -1.314 39.401 -5.037 196 HB2 LYS 23 HB2 LYS 23 0.636 37.663 -5.006 197 HB3 LYS 23 HB3 LYS 23 -0.264 36.896 -6.308 198 HG2 LYS 23 HG2 LYS 23 1.001 38.232 -7.596 199 HG3 LYS 23 HG3 LYS 23 -0.234 39.430 -7.202 200 HD2 LYS 23 HD2 LYS 23 2.269 39.045 -5.571 201 HD3 LYS 23 HD3 LYS 23 2.159 40.183 -6.916 202 HE2 LYS 23 HE2 LYS 23 0.192 41.216 -5.749 203 HE3 LYS 23 HE3 LYS 23 0.561 40.193 -4.362 204 HZ1 LYS 23 HZ1 LYS 23 2.194 42.375 -5.509 205 HZ2 LYS 23 HZ2 LYS 23 2.856 41.222 -4.464 206 HZ3 LYS 23 HZ3 LYS 23 1.602 42.225 -3.931 207 H ASP 24 H ASP 24 -3.484 36.994 -4.735 208 HA ASP 24 HA ASP 24 -4.575 37.432 -7.439 209 HB2 ASP 24 HB2 ASP 24 -3.837 35.019 -6.473 210 HB3 ASP 24 HB3 ASP 24 -5.505 35.073 -5.908 211 H GLN 25 H GLN 25 -5.208 37.289 -4.004 212 HA GLN 25 HA GLN 25 -8.023 37.552 -4.134 213 HB2 GLN 25 HB2 GLN 25 -7.951 37.960 -1.800 214 HB3 GLN 25 HB3 GLN 25 -6.659 36.815 -2.134 215 HG2 GLN 25 HG2 GLN 25 -5.572 38.258 -0.753 216 HG3 GLN 25 HG3 GLN 25 -5.209 38.993 -2.314 217 HE21 GLN 25 HE21 GLN 25 -4.974 41.060 -1.612 218 HE22 GLN 25 HE22 GLN 25 -6.263 42.003 -0.954 219 H VAL 26 H VAL 26 -5.532 39.717 -4.838 220 HA VAL 26 HA VAL 26 -6.671 42.162 -3.999 221 HB VAL 26 HB VAL 26 -4.827 41.714 -6.349 222 HG11 VAL 26 HG11 VAL 26 -5.363 44.163 -4.670 223 HG12 VAL 26 HG12 VAL 26 -4.154 44.038 -5.950 224 HG13 VAL 26 HG13 VAL 26 -5.869 43.914 -6.341 225 HG21 VAL 26 HG21 VAL 26 -3.249 42.627 -4.341 226 HG22 VAL 26 HG22 VAL 26 -4.382 41.613 -3.447 227 HG23 VAL 26 HG23 VAL 26 -3.435 40.926 -4.766 228 HN1 NH2 27 HN1 NH2 27 -6.879 40.326 -7.040 229 HN2 NH2 27 HN2 NH2 27 -8.191 41.231 -7.718 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -1.588 15.258 -10.325 2 H2 ACE 1 H2 ACE 1 -2.884 14.490 -9.376 3 H3 ACE 1 H3 ACE 1 -2.548 16.227 -9.181 4 H LYS 2 H LYS 2 -2.076 16.219 -7.075 5 HA LYS 2 HA LYS 2 0.463 14.950 -6.334 6 HB2 LYS 2 HB2 LYS 2 -0.247 17.524 -6.067 7 HB3 LYS 2 HB3 LYS 2 -0.844 16.914 -4.529 8 HG2 LYS 2 HG2 LYS 2 1.376 16.061 -3.995 9 HG3 LYS 2 HG3 LYS 2 1.979 16.650 -5.545 10 HD2 LYS 2 HD2 LYS 2 2.504 18.530 -4.455 11 HD3 LYS 2 HD3 LYS 2 0.772 18.874 -4.453 12 HE2 LYS 2 HE2 LYS 2 2.143 17.281 -2.298 13 HE3 LYS 2 HE3 LYS 2 1.930 19.029 -2.216 14 HZ1 LYS 2 HZ1 LYS 2 -0.492 18.634 -2.466 15 HZ2 LYS 2 HZ2 LYS 2 0.155 18.001 -1.037 16 HZ3 LYS 2 HZ3 LYS 2 -0.206 16.972 -2.331 17 H ARG 3 H ARG 3 -1.710 13.241 -6.432 18 HA ARG 3 HA ARG 3 -2.642 12.919 -3.683 19 HB2 ARG 3 HB2 ARG 3 -3.809 12.433 -6.172 20 HB3 ARG 3 HB3 ARG 3 -3.463 10.835 -5.526 21 HG2 ARG 3 HG2 ARG 3 -4.987 12.974 -4.055 22 HG3 ARG 3 HG3 ARG 3 -5.726 11.664 -4.978 23 HD2 ARG 3 HD2 ARG 3 -4.633 10.027 -3.523 24 HD3 ARG 3 HD3 ARG 3 -3.894 11.338 -2.604 25 HE ARG 3 HE ARG 3 -6.756 11.502 -2.722 26 HH11 ARG 3 HH11 ARG 3 -4.915 9.853 0.427 27 HH12 ARG 3 HH12 ARG 3 -4.046 10.093 -1.053 28 HH21 ARG 3 HH21 ARG 3 -7.114 10.476 0.580 29 HH22 ARG 3 HH22 ARG 3 -7.911 11.191 -0.780 30 H ILE 4 H ILE 4 0.160 12.358 -4.806 31 HA ILE 4 HA ILE 4 0.422 9.720 -3.542 32 HB ILE 4 HB ILE 4 1.966 10.501 -6.012 33 HG12 ILE 4 HG12 ILE 4 -0.438 10.211 -6.524 34 HG13 ILE 4 HG13 ILE 4 0.553 8.952 -7.253 35 HG21 ILE 4 HG21 ILE 4 2.468 8.041 -6.025 36 HG22 ILE 4 HG22 ILE 4 3.179 8.944 -4.688 37 HG23 ILE 4 HG23 ILE 4 1.743 7.957 -4.419 38 HD11 ILE 4 HD11 ILE 4 -0.521 7.349 -6.156 39 HD12 ILE 4 HD12 ILE 4 -0.421 8.215 -4.623 40 HD13 ILE 4 HD13 ILE 4 -1.720 8.579 -5.758 41 H GLY 5 H GLY 5 1.185 10.756 -1.669 42 HA2 GLY 5 HA2 GLY 5 3.312 10.953 -0.525 43 HA3 GLY 5 HA3 GLY 5 3.936 11.784 -1.942 44 H VAL 6 H VAL 6 2.733 12.180 1.141 45 HA VAL 6 HA VAL 6 2.087 15.010 0.626 46 HB VAL 6 HB VAL 6 1.145 13.349 2.965 47 HG11 VAL 6 HG11 VAL 6 0.716 15.338 3.867 48 HG12 VAL 6 HG12 VAL 6 1.120 16.180 2.370 49 HG13 VAL 6 HG13 VAL 6 -0.510 15.551 2.618 50 HG21 VAL 6 HG21 VAL 6 0.130 12.534 0.916 51 HG22 VAL 6 HG22 VAL 6 -1.063 13.404 1.881 52 HG23 VAL 6 HG23 VAL 6 -0.338 14.175 0.471 53 H ARG 7 H ARG 7 4.110 12.790 2.289 54 HA ARG 7 HA ARG 7 5.105 14.832 4.125 55 HB2 ARG 7 HB2 ARG 7 6.425 13.008 5.113 56 HB3 ARG 7 HB3 ARG 7 4.713 12.611 5.049 57 HG2 ARG 7 HG2 ARG 7 5.011 11.055 3.345 58 HG3 ARG 7 HG3 ARG 7 6.584 11.714 2.892 59 HD2 ARG 7 HD2 ARG 7 7.670 10.682 4.637 60 HD3 ARG 7 HD3 ARG 7 6.216 10.598 5.630 61 HE ARG 7 HE ARG 7 7.136 8.642 3.762 62 HH11 ARG 7 HH11 ARG 7 3.341 8.577 5.035 63 HH12 ARG 7 HH12 ARG 7 4.297 10.007 5.243 64 HH21 ARG 7 HH21 ARG 7 4.247 6.727 4.033 65 HH22 ARG 7 HH22 ARG 7 5.888 6.753 3.482 66 H LEU 8 H LEU 8 5.531 14.770 1.131 67 HA LEU 8 HA LEU 8 8.309 14.227 0.726 68 HB2 LEU 8 HB2 LEU 8 6.131 15.494 -0.876 69 HB3 LEU 8 HB3 LEU 8 7.807 15.683 -1.389 70 HG LEU 8 HG LEU 8 6.656 13.862 -2.570 71 HD11 LEU 8 HD11 LEU 8 8.844 12.934 -0.715 72 HD12 LEU 8 HD12 LEU 8 9.070 13.764 -2.254 73 HD13 LEU 8 HD13 LEU 8 8.361 12.150 -2.220 74 HD21 LEU 8 HD21 LEU 8 5.877 11.916 -1.481 75 HD22 LEU 8 HD22 LEU 8 5.191 13.277 -0.593 76 HD23 LEU 8 HD23 LEU 8 6.578 12.406 0.061 77 HA PRO 9 HA PRO 9 10.194 17.997 1.941 78 HB2 PRO 9 HB2 PRO 9 12.064 18.359 0.006 79 HB3 PRO 9 HB3 PRO 9 12.196 17.107 1.248 80 HG2 PRO 9 HG2 PRO 9 11.260 16.874 -1.586 81 HG3 PRO 9 HG3 PRO 9 12.325 15.794 -0.668 82 HD2 PRO 9 HD2 PRO 9 9.702 15.258 -1.067 83 HD3 PRO 9 HD3 PRO 9 10.564 14.762 0.403 84 H GLY 10 H GLY 10 10.813 20.225 1.161 85 HA2 GLY 10 HA2 GLY 10 10.214 21.500 -1.123 86 HA3 GLY 10 HA3 GLY 10 8.619 21.279 -0.419 87 H HIS 11 H HIS 11 11.375 23.223 -0.519 88 HA HIS 11 HA HIS 11 10.645 24.603 1.971 89 HB2 HIS 11 HB2 HIS 11 12.870 25.809 1.547 90 HB3 HIS 11 HB3 HIS 11 12.948 24.115 2.023 91 HD1 HIS 11 HD1 HIS 11 13.727 26.428 -0.772 92 HD2 HIS 11 HD2 HIS 11 13.776 22.341 -0.027 93 HE1 HIS 11 HE1 HIS 11 15.060 25.418 -2.650 94 H GLN 12 H GLN 12 11.523 25.293 -1.411 95 HA GLN 12 HA GLN 12 10.463 27.983 -1.198 96 HB2 GLN 12 HB2 GLN 12 12.346 26.662 -2.865 97 HB3 GLN 12 HB3 GLN 12 11.057 27.263 -3.899 98 HG2 GLN 12 HG2 GLN 12 11.353 29.496 -2.772 99 HG3 GLN 12 HG3 GLN 12 12.813 28.834 -2.039 100 HE21 GLN 12 HE21 GLN 12 14.001 27.454 -3.962 101 HE22 GLN 12 HE22 GLN 12 14.391 28.455 -5.315 102 H LYS 13 H LYS 13 9.491 24.873 -2.401 103 HA LYS 13 HA LYS 13 7.434 25.712 -4.145 104 HB2 LYS 13 HB2 LYS 13 8.027 23.158 -2.684 105 HB3 LYS 13 HB3 LYS 13 6.518 23.342 -3.568 106 HG2 LYS 13 HG2 LYS 13 8.871 24.117 -5.109 107 HG3 LYS 13 HG3 LYS 13 8.873 22.425 -4.606 108 HD2 LYS 13 HD2 LYS 13 6.305 23.399 -5.649 109 HD3 LYS 13 HD3 LYS 13 7.622 23.381 -6.825 110 HE2 LYS 13 HE2 LYS 13 7.982 20.968 -5.707 111 HE3 LYS 13 HE3 LYS 13 6.244 21.142 -5.472 112 HZ1 LYS 13 HZ1 LYS 13 7.302 21.783 -8.114 113 HZ2 LYS 13 HZ2 LYS 13 5.841 21.049 -7.684 114 HZ3 LYS 13 HZ3 LYS 13 7.274 20.149 -7.677 115 H ARG 14 H ARG 14 7.473 24.937 -0.695 116 HA ARG 14 HA ARG 14 4.722 25.034 -0.220 117 HB2 ARG 14 HB2 ARG 14 5.268 25.302 2.101 118 HB3 ARG 14 HB3 ARG 14 6.456 24.222 1.385 119 HG2 ARG 14 HG2 ARG 14 8.015 25.509 2.293 120 HG3 ARG 14 HG3 ARG 14 7.575 26.742 1.109 121 HD2 ARG 14 HD2 ARG 14 6.262 27.905 2.614 122 HD3 ARG 14 HD3 ARG 14 6.014 26.495 3.643 123 HE ARG 14 HE ARG 14 8.130 28.400 3.825 124 HH11 ARG 14 HH11 ARG 14 8.517 24.818 5.570 125 HH12 ARG 14 HH12 ARG 14 7.311 25.057 4.349 126 HH21 ARG 14 HH21 ARG 14 9.887 26.548 6.185 127 HH22 ARG 14 HH22 ARG 14 9.722 28.097 5.430 128 H ILE 15 H ILE 15 6.967 27.546 -0.899 129 HA ILE 15 HA ILE 15 5.306 29.650 0.205 130 HB ILE 15 HB ILE 15 7.810 29.828 -1.474 131 HG12 ILE 15 HG12 ILE 15 7.501 30.344 1.485 132 HG13 ILE 15 HG13 ILE 15 7.988 28.782 0.836 133 HG21 ILE 15 HG21 ILE 15 6.560 31.839 -1.751 134 HG22 ILE 15 HG22 ILE 15 6.223 31.935 -0.023 135 HG23 ILE 15 HG23 ILE 15 7.866 32.179 -0.615 136 HD11 ILE 15 HD11 ILE 15 9.510 31.268 1.121 137 HD12 ILE 15 HD12 ILE 15 10.053 29.590 1.121 138 HD13 ILE 15 HD13 ILE 15 9.744 30.417 -0.405 139 H ALA 16 H ALA 16 6.297 28.489 -2.997 140 HA ALA 16 HA ALA 16 4.854 30.424 -4.475 141 HB1 ALA 16 HB1 ALA 16 5.497 27.680 -5.501 142 HB2 ALA 16 HB2 ALA 16 5.426 29.205 -6.384 143 HB3 ALA 16 HB3 ALA 16 6.753 28.896 -5.263 144 H TYR 17 H TYR 17 3.911 27.545 -2.843 145 HA TYR 17 HA TYR 17 1.389 27.367 -4.308 146 HB2 TYR 17 HB2 TYR 17 2.679 25.298 -3.767 147 HB3 TYR 17 HB3 TYR 17 2.402 25.618 -2.058 148 HD1 TYR 17 HD1 TYR 17 0.915 24.458 -5.181 149 HD2 TYR 17 HD2 TYR 17 0.162 25.377 -1.095 150 HE1 TYR 17 HE1 TYR 17 -1.222 23.246 -5.308 151 HE2 TYR 17 HE2 TYR 17 -1.976 24.167 -1.211 152 HH TYR 17 HH TYR 17 -3.274 22.837 -2.449 153 H SER 18 H SER 18 2.695 28.464 -1.293 154 HA SER 18 HA SER 18 0.167 28.591 0.075 155 HB2 SER 18 HB2 SER 18 2.966 29.467 0.693 156 HB3 SER 18 HB3 SER 18 1.628 30.099 1.652 157 HG SER 18 HG SER 18 2.101 27.337 1.207 158 H LEU 19 H LEU 19 2.019 30.654 -1.996 159 HA LEU 19 HA LEU 19 0.539 33.043 -1.274 160 HB2 LEU 19 HB2 LEU 19 2.970 32.424 -2.695 161 HB3 LEU 19 HB3 LEU 19 1.956 33.515 -3.638 162 HG LEU 19 HG LEU 19 3.612 34.711 -2.277 163 HD11 LEU 19 HD11 LEU 19 0.698 35.076 -1.664 164 HD12 LEU 19 HD12 LEU 19 1.716 35.985 -2.781 165 HD13 LEU 19 HD13 LEU 19 1.928 36.176 -1.040 166 HD21 LEU 19 HD21 LEU 19 3.728 33.098 -0.424 167 HD22 LEU 19 HD22 LEU 19 2.111 33.586 0.086 168 HD23 LEU 19 HD23 LEU 19 3.441 34.744 0.140 169 H LEU 20 H LEU 20 0.860 30.900 -4.089 170 HA LEU 20 HA LEU 20 -1.078 32.256 -5.662 171 HB2 LEU 20 HB2 LEU 20 0.506 29.796 -5.839 172 HB3 LEU 20 HB3 LEU 20 -1.058 29.712 -6.647 173 HG LEU 20 HG LEU 20 0.662 30.334 -8.225 174 HD11 LEU 20 HD11 LEU 20 -1.719 31.533 -7.994 175 HD12 LEU 20 HD12 LEU 20 -0.574 31.901 -9.284 176 HD13 LEU 20 HD13 LEU 20 -0.670 32.945 -7.866 177 HD21 LEU 20 HD21 LEU 20 2.156 31.364 -6.468 178 HD22 LEU 20 HD22 LEU 20 1.159 32.813 -6.594 179 HD23 LEU 20 HD23 LEU 20 2.054 32.233 -8.000 180 H GLY 21 H GLY 21 -1.281 29.960 -3.104 181 HA2 GLY 21 HA2 GLY 21 -3.857 28.902 -3.775 182 HA3 GLY 21 HA3 GLY 21 -3.036 28.745 -2.229 183 H LEU 22 H LEU 22 -2.715 31.560 -1.762 184 HA LEU 22 HA LEU 22 -5.445 32.149 -0.914 185 HB2 LEU 22 HB2 LEU 22 -3.091 32.304 0.413 186 HB3 LEU 22 HB3 LEU 22 -3.261 33.967 -0.146 187 HG LEU 22 HG LEU 22 -5.742 33.332 0.952 188 HD11 LEU 22 HD11 LEU 22 -5.255 32.498 3.164 189 HD12 LEU 22 HD12 LEU 22 -3.540 32.374 2.774 190 HD13 LEU 22 HD13 LEU 22 -4.707 31.333 1.958 191 HD21 LEU 22 HD21 LEU 22 -3.382 34.973 1.744 192 HD22 LEU 22 HD22 LEU 22 -4.727 34.798 2.872 193 HD23 LEU 22 HD23 LEU 22 -5.003 35.483 1.269 194 H LYS 23 H LYS 23 -2.960 33.315 -3.051 195 HA LYS 23 HA LYS 23 -4.211 35.861 -3.534 196 HB2 LYS 23 HB2 LYS 23 -1.956 34.391 -4.899 197 HB3 LYS 23 HB3 LYS 23 -2.527 35.970 -5.423 198 HG2 LYS 23 HG2 LYS 23 -1.718 35.570 -2.581 199 HG3 LYS 23 HG3 LYS 23 -0.483 35.774 -3.825 200 HD2 LYS 23 HD2 LYS 23 -0.877 37.967 -3.983 201 HD3 LYS 23 HD3 LYS 23 -2.623 37.721 -4.073 202 HE2 LYS 23 HE2 LYS 23 -2.454 37.280 -1.533 203 HE3 LYS 23 HE3 LYS 23 -0.882 38.068 -1.657 204 HZ1 LYS 23 HZ1 LYS 23 -1.921 40.040 -2.483 205 HZ2 LYS 23 HZ2 LYS 23 -2.712 39.591 -1.057 206 HZ3 LYS 23 HZ3 LYS 23 -3.435 39.288 -2.557 207 H ASP 24 H ASP 24 -4.689 32.685 -4.625 208 HA ASP 24 HA ASP 24 -5.585 33.209 -7.267 209 HB2 ASP 24 HB2 ASP 24 -5.000 30.972 -6.833 210 HB3 ASP 24 HB3 ASP 24 -5.959 30.915 -5.357 211 H GLN 25 H GLN 25 -7.136 33.222 -4.124 212 HA GLN 25 HA GLN 25 -9.687 33.931 -5.410 213 HB2 GLN 25 HB2 GLN 25 -10.635 33.403 -3.093 214 HB3 GLN 25 HB3 GLN 25 -10.074 32.046 -4.061 215 HG2 GLN 25 HG2 GLN 25 -8.462 31.513 -2.608 216 HG3 GLN 25 HG3 GLN 25 -8.033 33.197 -2.312 217 HE21 GLN 25 HE21 GLN 25 -7.919 33.056 -0.118 218 HE22 GLN 25 HE22 GLN 25 -9.289 32.763 0.893 219 H VAL 26 H VAL 26 -7.081 35.185 -3.684 220 HA VAL 26 HA VAL 26 -8.607 37.632 -3.105 221 HB VAL 26 HB VAL 26 -6.438 36.559 -1.300 222 HG11 VAL 26 HG11 VAL 26 -7.161 38.298 0.227 223 HG12 VAL 26 HG12 VAL 26 -6.718 39.005 -1.328 224 HG13 VAL 26 HG13 VAL 26 -8.418 38.800 -0.904 225 HG21 VAL 26 HG21 VAL 26 -8.148 35.051 -0.907 226 HG22 VAL 26 HG22 VAL 26 -8.483 36.308 0.283 227 HG23 VAL 26 HG23 VAL 26 -9.411 36.243 -1.215 228 HN1 NH2 27 HN1 NH2 27 -7.773 38.439 -5.109 229 HN2 NH2 27 HN2 NH2 27 -6.132 38.979 -5.234 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -2.936 3.334 -5.823 2 H2 ACE 1 H2 ACE 1 -3.022 3.245 -4.047 3 H3 ACE 1 H3 ACE 1 -4.352 3.989 -4.967 4 H LYS 2 H LYS 2 -2.649 5.034 -2.829 5 HA LYS 2 HA LYS 2 -1.440 7.305 -4.267 6 HB2 LYS 2 HB2 LYS 2 -3.693 7.599 -2.924 7 HB3 LYS 2 HB3 LYS 2 -2.611 7.657 -1.539 8 HG2 LYS 2 HG2 LYS 2 -1.973 9.736 -2.000 9 HG3 LYS 2 HG3 LYS 2 -1.719 9.367 -3.707 10 HD2 LYS 2 HD2 LYS 2 -4.294 9.418 -3.869 11 HD3 LYS 2 HD3 LYS 2 -4.223 10.261 -2.320 12 HE2 LYS 2 HE2 LYS 2 -3.273 12.129 -3.226 13 HE3 LYS 2 HE3 LYS 2 -2.460 11.228 -4.504 14 HZ1 LYS 2 HZ1 LYS 2 -5.389 11.688 -4.424 15 HZ2 LYS 2 HZ2 LYS 2 -4.491 11.041 -5.702 16 HZ3 LYS 2 HZ3 LYS 2 -4.308 12.669 -5.279 17 H ARG 3 H ARG 3 0.255 5.359 -3.794 18 HA ARG 3 HA ARG 3 1.583 5.948 -1.239 19 HB2 ARG 3 HB2 ARG 3 0.996 3.523 -2.400 20 HB3 ARG 3 HB3 ARG 3 2.680 3.759 -2.847 21 HG2 ARG 3 HG2 ARG 3 1.624 3.921 -0.033 22 HG3 ARG 3 HG3 ARG 3 2.375 2.492 -0.747 23 HD2 ARG 3 HD2 ARG 3 4.429 3.776 -1.130 24 HD3 ARG 3 HD3 ARG 3 3.674 5.192 -0.399 25 HE ARG 3 HE ARG 3 3.575 3.020 1.396 26 HH11 ARG 3 HH11 ARG 3 6.901 5.248 1.347 27 HH12 ARG 3 HH12 ARG 3 5.817 5.286 -0.004 28 HH21 ARG 3 HH21 ARG 3 6.433 3.924 3.157 29 HH22 ARG 3 HH22 ARG 3 4.994 2.961 3.181 30 H ILE 4 H ILE 4 1.624 7.420 -3.938 31 HA ILE 4 HA ILE 4 4.401 7.203 -4.731 32 HB ILE 4 HB ILE 4 2.771 7.618 -6.470 33 HG12 ILE 4 HG12 ILE 4 3.786 9.599 -7.518 34 HG13 ILE 4 HG13 ILE 4 4.467 10.074 -5.966 35 HG21 ILE 4 HG21 ILE 4 0.985 8.870 -6.061 36 HG22 ILE 4 HG22 ILE 4 1.698 9.452 -4.558 37 HG23 ILE 4 HG23 ILE 4 2.017 10.300 -6.071 38 HD11 ILE 4 HD11 ILE 4 5.118 7.396 -7.094 39 HD12 ILE 4 HD12 ILE 4 5.929 8.834 -7.716 40 HD13 ILE 4 HD13 ILE 4 6.056 8.419 -6.006 41 H GLY 5 H GLY 5 2.466 9.145 -2.624 42 HA2 GLY 5 HA2 GLY 5 3.593 10.372 -0.867 43 HA3 GLY 5 HA3 GLY 5 4.849 10.777 -2.027 44 H VAL 6 H VAL 6 2.245 11.967 -0.400 45 HA VAL 6 HA VAL 6 1.662 13.970 -2.481 46 HB VAL 6 HB VAL 6 -0.291 12.653 -1.677 47 HG11 VAL 6 HG11 VAL 6 -0.287 14.143 0.889 48 HG12 VAL 6 HG12 VAL 6 -0.967 12.562 0.495 49 HG13 VAL 6 HG13 VAL 6 0.769 12.737 0.756 50 HG21 VAL 6 HG21 VAL 6 -0.464 15.557 -0.890 51 HG22 VAL 6 HG22 VAL 6 -0.461 14.988 -2.560 52 HG23 VAL 6 HG23 VAL 6 -1.768 14.522 -1.472 53 H ARG 7 H ARG 7 2.969 13.450 0.657 54 HA ARG 7 HA ARG 7 2.918 16.309 1.286 55 HB2 ARG 7 HB2 ARG 7 3.751 15.622 3.505 56 HB3 ARG 7 HB3 ARG 7 2.241 14.824 3.085 57 HG2 ARG 7 HG2 ARG 7 3.273 12.767 2.760 58 HG3 ARG 7 HG3 ARG 7 4.872 13.491 2.584 59 HD2 ARG 7 HD2 ARG 7 4.535 12.318 4.748 60 HD3 ARG 7 HD3 ARG 7 4.955 14.022 4.920 61 HE ARG 7 HE ARG 7 2.132 13.602 4.925 62 HH11 ARG 7 HH11 ARG 7 4.146 13.687 8.384 63 HH12 ARG 7 HH12 ARG 7 4.999 13.449 6.895 64 HH21 ARG 7 HH21 ARG 7 1.870 13.951 8.374 65 HH22 ARG 7 HH22 ARG 7 0.998 13.915 6.879 66 H LEU 8 H LEU 8 4.494 15.771 -0.867 67 HA LEU 8 HA LEU 8 7.209 15.249 -0.180 68 HB2 LEU 8 HB2 LEU 8 6.399 16.795 -2.607 69 HB3 LEU 8 HB3 LEU 8 7.712 15.636 -2.411 70 HG LEU 8 HG LEU 8 5.431 14.120 -2.007 71 HD11 LEU 8 HD11 LEU 8 4.956 16.204 -4.118 72 HD12 LEU 8 HD12 LEU 8 3.904 15.732 -2.783 73 HD13 LEU 8 HD13 LEU 8 4.156 14.632 -4.139 74 HD21 LEU 8 HD21 LEU 8 7.158 13.148 -3.187 75 HD22 LEU 8 HD22 LEU 8 7.342 14.530 -4.266 76 HD23 LEU 8 HD23 LEU 8 5.973 13.436 -4.461 77 HA PRO 9 HA PRO 9 8.599 19.167 1.233 78 HB2 PRO 9 HB2 PRO 9 11.144 19.191 0.286 79 HB3 PRO 9 HB3 PRO 9 10.629 18.167 1.632 80 HG2 PRO 9 HG2 PRO 9 10.996 17.459 -1.253 81 HG3 PRO 9 HG3 PRO 9 11.473 16.549 0.191 82 HD2 PRO 9 HD2 PRO 9 9.248 15.958 -1.234 83 HD3 PRO 9 HD3 PRO 9 9.349 15.716 0.522 84 H GLY 10 H GLY 10 10.163 21.047 0.266 85 HA2 GLY 10 HA2 GLY 10 10.533 21.948 -2.143 86 HA3 GLY 10 HA3 GLY 10 8.776 21.904 -2.179 87 H HIS 11 H HIS 11 11.433 23.806 -1.556 88 HA HIS 11 HA HIS 11 10.099 25.524 0.385 89 HB2 HIS 11 HB2 HIS 11 12.812 24.962 -0.280 90 HB3 HIS 11 HB3 HIS 11 12.530 26.677 -0.562 91 HD1 HIS 11 HD1 HIS 11 13.801 24.671 1.956 92 HD2 HIS 11 HD2 HIS 11 10.901 27.646 1.936 93 HE1 HIS 11 HE1 HIS 11 13.644 25.473 4.334 94 H GLN 12 H GLN 12 10.658 25.299 -3.002 95 HA GLN 12 HA GLN 12 10.121 28.108 -3.496 96 HB2 GLN 12 HB2 GLN 12 10.906 25.762 -5.158 97 HB3 GLN 12 HB3 GLN 12 10.081 27.096 -5.953 98 HG2 GLN 12 HG2 GLN 12 12.160 27.883 -6.221 99 HG3 GLN 12 HG3 GLN 12 11.945 28.452 -4.567 100 HE21 GLN 12 HE21 GLN 12 14.447 28.067 -5.549 101 HE22 GLN 12 HE22 GLN 12 15.179 26.698 -4.791 102 H LYS 13 H LYS 13 8.426 25.085 -3.435 103 HA LYS 13 HA LYS 13 6.163 25.973 -4.955 104 HB2 LYS 13 HB2 LYS 13 5.106 23.887 -4.163 105 HB3 LYS 13 HB3 LYS 13 6.697 23.607 -4.857 106 HG2 LYS 13 HG2 LYS 13 6.974 22.352 -3.015 107 HG3 LYS 13 HG3 LYS 13 7.370 23.904 -2.273 108 HD2 LYS 13 HD2 LYS 13 5.819 23.033 -0.792 109 HD3 LYS 13 HD3 LYS 13 4.812 24.046 -1.829 110 HE2 LYS 13 HE2 LYS 13 5.115 21.352 -2.870 111 HE3 LYS 13 HE3 LYS 13 4.416 21.368 -1.252 112 HZ1 LYS 13 HZ1 LYS 13 3.078 21.805 -3.589 113 HZ2 LYS 13 HZ2 LYS 13 3.264 23.358 -2.947 114 HZ3 LYS 13 HZ3 LYS 13 2.506 22.153 -2.035 115 H ARG 14 H ARG 14 6.963 25.708 -1.527 116 HA ARG 14 HA ARG 14 4.440 26.283 -0.465 117 HB2 ARG 14 HB2 ARG 14 6.255 25.445 0.919 118 HB3 ARG 14 HB3 ARG 14 7.184 26.911 0.636 119 HG2 ARG 14 HG2 ARG 14 4.564 27.496 1.715 120 HG3 ARG 14 HG3 ARG 14 5.484 26.409 2.758 121 HD2 ARG 14 HD2 ARG 14 6.903 28.026 3.366 122 HD3 ARG 14 HD3 ARG 14 7.082 28.606 1.711 123 HE ARG 14 HE ARG 14 5.611 30.268 2.211 124 HH11 ARG 14 HH11 ARG 14 3.920 28.496 5.378 125 HH12 ARG 14 HH12 ARG 14 5.108 27.646 4.446 126 HH21 ARG 14 HH21 ARG 14 3.317 30.629 4.799 127 HH22 ARG 14 HH22 ARG 14 4.048 31.397 3.430 128 H ILE 15 H ILE 15 6.701 28.295 -2.084 129 HA ILE 15 HA ILE 15 5.637 30.769 -1.012 130 HB ILE 15 HB ILE 15 7.605 30.312 -3.258 131 HG12 ILE 15 HG12 ILE 15 8.129 31.249 -0.433 132 HG13 ILE 15 HG13 ILE 15 8.312 29.577 -0.951 133 HG21 ILE 15 HG21 ILE 15 7.161 32.441 -3.763 134 HG22 ILE 15 HG22 ILE 15 6.255 32.694 -2.272 135 HG23 ILE 15 HG23 ILE 15 8.012 32.845 -2.272 136 HD11 ILE 15 HD11 ILE 15 10.385 30.041 -1.546 137 HD12 ILE 15 HD12 ILE 15 9.761 31.139 -2.778 138 HD13 ILE 15 HD13 ILE 15 10.148 31.747 -1.169 139 H ALA 16 H ALA 16 5.637 29.051 -4.121 140 HA ALA 16 HA ALA 16 4.057 30.943 -5.505 141 HB1 ALA 16 HB1 ALA 16 3.562 28.630 -6.833 142 HB2 ALA 16 HB2 ALA 16 4.996 29.631 -7.067 143 HB3 ALA 16 HB3 ALA 16 5.063 28.230 -5.998 144 H TYR 17 H TYR 17 3.284 28.466 -3.239 145 HA TYR 17 HA TYR 17 0.465 28.439 -3.997 146 HB2 TYR 17 HB2 TYR 17 2.113 26.475 -3.022 147 HB3 TYR 17 HB3 TYR 17 1.248 26.976 -1.573 148 HD1 TYR 17 HD1 TYR 17 -0.929 26.216 -1.170 149 HD2 TYR 17 HD2 TYR 17 0.728 25.819 -5.068 150 HE1 TYR 17 HE1 TYR 17 -2.860 24.849 -1.844 151 HE2 TYR 17 HE2 TYR 17 -1.198 24.452 -5.754 152 HH TYR 17 HH TYR 17 -3.098 23.500 -5.123 153 H SER 18 H SER 18 2.602 29.813 -1.651 154 HA SER 18 HA SER 18 0.505 30.511 0.210 155 HB2 SER 18 HB2 SER 18 2.722 30.046 1.091 156 HB3 SER 18 HB3 SER 18 3.422 31.312 0.083 157 HG SER 18 HG SER 18 2.205 32.832 1.261 158 H LEU 19 H LEU 19 2.035 31.905 -2.549 159 HA LEU 19 HA LEU 19 1.137 34.598 -1.942 160 HB2 LEU 19 HB2 LEU 19 2.931 33.332 -3.878 161 HB3 LEU 19 HB3 LEU 19 1.971 34.651 -4.544 162 HG LEU 19 HG LEU 19 4.200 35.370 -3.780 163 HD11 LEU 19 HD11 LEU 19 2.282 36.643 -1.896 164 HD12 LEU 19 HD12 LEU 19 1.959 36.736 -3.627 165 HD13 LEU 19 HD13 LEU 19 3.467 37.380 -2.976 166 HD21 LEU 19 HD21 LEU 19 4.887 35.278 -1.549 167 HD22 LEU 19 HD22 LEU 19 4.191 33.685 -1.849 168 HD23 LEU 19 HD23 LEU 19 3.265 34.902 -0.967 169 H LEU 20 H LEU 20 0.379 31.995 -4.216 170 HA LEU 20 HA LEU 20 -1.719 33.495 -5.492 171 HB2 LEU 20 HB2 LEU 20 -0.205 31.287 -6.158 172 HB3 LEU 20 HB3 LEU 20 -1.800 30.606 -5.846 173 HG LEU 20 HG LEU 20 -2.507 32.618 -7.463 174 HD11 LEU 20 HD11 LEU 20 0.369 32.059 -8.024 175 HD12 LEU 20 HD12 LEU 20 -0.504 33.591 -8.039 176 HD13 LEU 20 HD13 LEU 20 -0.725 32.438 -9.355 177 HD21 LEU 20 HD21 LEU 20 -3.091 30.283 -7.772 178 HD22 LEU 20 HD22 LEU 20 -1.458 29.928 -8.336 179 HD23 LEU 20 HD23 LEU 20 -2.512 30.974 -9.288 180 H GLY 21 H GLY 21 -1.504 32.086 -2.536 181 HA2 GLY 21 HA2 GLY 21 -4.315 31.203 -2.516 182 HA3 GLY 21 HA3 GLY 21 -3.104 30.754 -1.324 183 H LEU 22 H LEU 22 -2.234 33.708 -1.439 184 HA LEU 22 HA LEU 22 -4.342 34.697 0.366 185 HB2 LEU 22 HB2 LEU 22 -1.701 34.209 0.955 186 HB3 LEU 22 HB3 LEU 22 -1.718 35.942 0.635 187 HG LEU 22 HG LEU 22 -1.965 35.574 2.993 188 HD11 LEU 22 HD11 LEU 22 -4.734 36.243 2.070 189 HD12 LEU 22 HD12 LEU 22 -3.376 37.315 1.728 190 HD13 LEU 22 HD13 LEU 22 -3.803 36.937 3.397 191 HD21 LEU 22 HD21 LEU 22 -3.553 33.355 2.148 192 HD22 LEU 22 HD22 LEU 22 -4.506 34.373 3.228 193 HD23 LEU 22 HD23 LEU 22 -2.948 33.739 3.759 194 H LYS 23 H LYS 23 -2.363 35.348 -2.389 195 HA LYS 23 HA LYS 23 -3.270 38.136 -2.490 196 HB2 LYS 23 HB2 LYS 23 -0.816 37.022 -3.040 197 HB3 LYS 23 HB3 LYS 23 -1.515 37.200 -4.644 198 HG2 LYS 23 HG2 LYS 23 -0.241 39.157 -4.145 199 HG3 LYS 23 HG3 LYS 23 -1.953 39.588 -4.132 200 HD2 LYS 23 HD2 LYS 23 -1.210 40.632 -2.217 201 HD3 LYS 23 HD3 LYS 23 -1.758 39.082 -1.573 202 HE2 LYS 23 HE2 LYS 23 0.295 38.552 -0.889 203 HE3 LYS 23 HE3 LYS 23 0.992 38.950 -2.459 204 HZ1 LYS 23 HZ1 LYS 23 2.001 40.437 -1.025 205 HZ2 LYS 23 HZ2 LYS 23 0.597 40.699 -0.118 206 HZ3 LYS 23 HZ3 LYS 23 0.738 41.362 -1.668 207 H ASP 24 H ASP 24 -4.375 35.223 -3.431 208 HA ASP 24 HA ASP 24 -5.606 36.309 -5.879 209 HB2 ASP 24 HB2 ASP 24 -4.005 34.118 -5.795 210 HB3 ASP 24 HB3 ASP 24 -5.580 33.375 -5.533 211 H GLN 25 H GLN 25 -6.068 34.572 -2.881 212 HA GLN 25 HA GLN 25 -8.945 34.365 -3.372 213 HB2 GLN 25 HB2 GLN 25 -7.045 33.080 -1.460 214 HB3 GLN 25 HB3 GLN 25 -8.739 33.205 -1.008 215 HG2 GLN 25 HG2 GLN 25 -7.824 31.986 -3.595 216 HG3 GLN 25 HG3 GLN 25 -8.037 31.058 -2.111 217 HE21 GLN 25 HE21 GLN 25 -9.530 32.313 -4.855 218 HE22 GLN 25 HE22 GLN 25 -11.168 31.962 -4.434 219 H VAL 26 H VAL 26 -7.471 36.902 -2.800 220 HA VAL 26 HA VAL 26 -7.938 37.805 -0.197 221 HB VAL 26 HB VAL 26 -8.012 40.110 -1.262 222 HG11 VAL 26 HG11 VAL 26 -5.949 38.653 -0.531 223 HG12 VAL 26 HG12 VAL 26 -5.607 38.666 -2.262 224 HG13 VAL 26 HG13 VAL 26 -5.724 40.185 -1.374 225 HG21 VAL 26 HG21 VAL 26 -8.686 38.736 -3.527 226 HG22 VAL 26 HG22 VAL 26 -8.092 40.396 -3.484 227 HG23 VAL 26 HG23 VAL 26 -6.974 39.067 -3.790 228 HN1 NH2 27 HN1 NH2 27 -9.548 39.376 0.553 229 HN2 NH2 27 HN2 NH2 27 -11.185 39.236 0.004 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 1.792 5.305 -7.974 2 H2 ACE 1 H2 ACE 1 2.793 6.182 -9.158 3 H3 ACE 1 H3 ACE 1 3.514 4.895 -8.161 4 H LYS 2 H LYS 2 2.213 8.125 -8.203 5 HA LYS 2 HA LYS 2 2.511 9.931 -6.853 6 HB2 LYS 2 HB2 LYS 2 2.986 7.983 -4.599 7 HB3 LYS 2 HB3 LYS 2 2.395 9.636 -4.486 8 HG2 LYS 2 HG2 LYS 2 0.383 8.855 -5.815 9 HG3 LYS 2 HG3 LYS 2 0.952 7.212 -5.511 10 HD2 LYS 2 HD2 LYS 2 -0.025 7.254 -3.516 11 HD3 LYS 2 HD3 LYS 2 1.007 8.606 -3.045 12 HE2 LYS 2 HE2 LYS 2 -0.608 10.168 -4.022 13 HE3 LYS 2 HE3 LYS 2 -1.638 8.814 -4.483 14 HZ1 LYS 2 HZ1 LYS 2 -1.629 10.189 -2.075 15 HZ2 LYS 2 HZ2 LYS 2 -1.019 8.649 -1.737 16 HZ3 LYS 2 HZ3 LYS 2 -2.532 8.815 -2.473 17 H ARG 3 H ARG 3 4.618 9.677 -8.282 18 HA ARG 3 HA ARG 3 6.988 9.383 -6.597 19 HB2 ARG 3 HB2 ARG 3 6.594 8.502 -9.083 20 HB3 ARG 3 HB3 ARG 3 7.193 10.108 -9.477 21 HG2 ARG 3 HG2 ARG 3 8.772 8.613 -7.494 22 HG3 ARG 3 HG3 ARG 3 8.767 7.957 -9.133 23 HD2 ARG 3 HD2 ARG 3 9.222 10.451 -9.798 24 HD3 ARG 3 HD3 ARG 3 9.788 10.576 -8.133 25 HE ARG 3 HE ARG 3 11.634 9.340 -8.700 26 HH11 ARG 3 HH11 ARG 3 10.316 8.269 -12.325 27 HH12 ARG 3 HH12 ARG 3 9.252 9.082 -11.226 28 HH21 ARG 3 HH21 ARG 3 12.473 7.807 -11.705 29 HH22 ARG 3 HH22 ARG 3 13.044 8.270 -10.138 30 H ILE 4 H ILE 4 4.959 11.708 -6.714 31 HA ILE 4 HA ILE 4 6.946 13.853 -7.088 32 HB ILE 4 HB ILE 4 5.079 14.018 -8.676 33 HG12 ILE 4 HG12 ILE 4 4.316 16.298 -7.075 34 HG13 ILE 4 HG13 ILE 4 6.051 16.024 -6.962 35 HG21 ILE 4 HG21 ILE 4 2.818 14.442 -7.927 36 HG22 ILE 4 HG22 ILE 4 3.387 12.907 -7.274 37 HG23 ILE 4 HG23 ILE 4 3.328 14.336 -6.243 38 HD11 ILE 4 HD11 ILE 4 6.401 16.471 -9.175 39 HD12 ILE 4 HD12 ILE 4 4.766 16.002 -9.643 40 HD13 ILE 4 HD13 ILE 4 5.044 17.543 -8.832 41 H GLY 5 H GLY 5 4.666 12.360 -4.956 42 HA2 GLY 5 HA2 GLY 5 4.646 12.557 -2.627 43 HA3 GLY 5 HA3 GLY 5 5.657 13.988 -2.762 44 H VAL 6 H VAL 6 2.653 12.920 -1.934 45 HA VAL 6 HA VAL 6 1.413 15.526 -2.535 46 HB VAL 6 HB VAL 6 -0.029 12.935 -1.964 47 HG11 VAL 6 HG11 VAL 6 -1.826 14.462 -3.216 48 HG12 VAL 6 HG12 VAL 6 -1.615 14.480 -1.464 49 HG13 VAL 6 HG13 VAL 6 -0.867 15.731 -2.457 50 HG21 VAL 6 HG21 VAL 6 1.009 12.589 -4.044 51 HG22 VAL 6 HG22 VAL 6 -0.626 13.122 -4.436 52 HG23 VAL 6 HG23 VAL 6 0.724 14.251 -4.559 53 H ARG 7 H ARG 7 2.375 13.314 -0.085 54 HA ARG 7 HA ARG 7 0.800 14.671 1.968 55 HB2 ARG 7 HB2 ARG 7 1.596 12.922 3.474 56 HB3 ARG 7 HB3 ARG 7 0.891 12.220 2.024 57 HG2 ARG 7 HG2 ARG 7 3.300 12.114 1.146 58 HG3 ARG 7 HG3 ARG 7 3.770 12.374 2.827 59 HD2 ARG 7 HD2 ARG 7 1.958 10.407 3.139 60 HD3 ARG 7 HD3 ARG 7 2.562 10.014 1.530 61 HE ARG 7 HE ARG 7 4.527 9.334 2.479 62 HH11 ARG 7 HH11 ARG 7 3.871 10.961 6.078 63 HH12 ARG 7 HH12 ARG 7 2.777 11.282 4.773 64 HH21 ARG 7 HH21 ARG 7 5.691 9.610 5.743 65 HH22 ARG 7 HH22 ARG 7 5.975 8.905 4.188 66 H LEU 8 H LEU 8 2.646 16.337 0.810 67 HA LEU 8 HA LEU 8 5.159 16.401 2.089 68 HB2 LEU 8 HB2 LEU 8 3.503 18.384 0.594 69 HB3 LEU 8 HB3 LEU 8 4.937 18.931 1.460 70 HG LEU 8 HG LEU 8 5.379 18.547 -0.920 71 HD11 LEU 8 HD11 LEU 8 6.749 16.570 0.896 72 HD12 LEU 8 HD12 LEU 8 7.181 18.268 0.697 73 HD13 LEU 8 HD13 LEU 8 7.360 17.149 -0.654 74 HD21 LEU 8 HD21 LEU 8 5.049 15.608 -0.494 75 HD22 LEU 8 HD22 LEU 8 5.080 16.528 -1.999 76 HD23 LEU 8 HD23 LEU 8 3.661 16.595 -0.953 77 HA PRO 9 HA PRO 9 4.383 18.101 6.059 78 HB2 PRO 9 HB2 PRO 9 6.464 19.816 6.371 79 HB3 PRO 9 HB3 PRO 9 6.652 18.059 6.414 80 HG2 PRO 9 HG2 PRO 9 7.172 19.965 4.165 81 HG3 PRO 9 HG3 PRO 9 8.143 18.584 4.708 82 HD2 PRO 9 HD2 PRO 9 6.495 18.452 2.564 83 HD3 PRO 9 HD3 PRO 9 6.811 17.055 3.613 84 H GLY 10 H GLY 10 4.543 20.400 7.238 85 HA2 GLY 10 HA2 GLY 10 2.660 22.077 5.808 86 HA3 GLY 10 HA3 GLY 10 3.177 22.272 7.476 87 H HIS 11 H HIS 11 6.033 21.994 6.233 88 HA HIS 11 HA HIS 11 6.497 24.820 6.103 89 HB2 HIS 11 HB2 HIS 11 8.034 22.772 6.908 90 HB3 HIS 11 HB3 HIS 11 8.622 22.926 5.255 91 HD1 HIS 11 HD1 HIS 11 8.739 25.918 4.889 92 HD2 HIS 11 HD2 HIS 11 9.917 24.022 8.393 93 HE1 HIS 11 HE1 HIS 11 10.322 27.514 6.017 94 H GLN 12 H GLN 12 5.887 22.322 3.818 95 HA GLN 12 HA GLN 12 6.811 24.013 1.604 96 HB2 GLN 12 HB2 GLN 12 6.685 21.143 2.051 97 HB3 GLN 12 HB3 GLN 12 5.930 21.601 0.530 98 HG2 GLN 12 HG2 GLN 12 7.977 22.776 -0.124 99 HG3 GLN 12 HG3 GLN 12 8.732 22.284 1.391 100 HE21 GLN 12 HE21 GLN 12 9.777 20.412 1.445 101 HE22 GLN 12 HE22 GLN 12 9.718 19.194 0.221 102 H LYS 13 H LYS 13 3.983 22.608 3.062 103 HA LYS 13 HA LYS 13 2.199 23.010 0.893 104 HB2 LYS 13 HB2 LYS 13 2.072 21.955 3.528 105 HB3 LYS 13 HB3 LYS 13 0.819 23.182 3.391 106 HG2 LYS 13 HG2 LYS 13 0.010 22.047 1.337 107 HG3 LYS 13 HG3 LYS 13 1.189 20.767 1.633 108 HD2 LYS 13 HD2 LYS 13 -0.847 19.985 2.537 109 HD3 LYS 13 HD3 LYS 13 0.118 20.507 3.919 110 HE2 LYS 13 HE2 LYS 13 -1.369 22.740 2.991 111 HE3 LYS 13 HE3 LYS 13 -2.473 21.372 3.127 112 HZ1 LYS 13 HZ1 LYS 13 -2.225 22.737 5.181 113 HZ2 LYS 13 HZ2 LYS 13 -0.626 22.197 5.296 114 HZ3 LYS 13 HZ3 LYS 13 -1.902 21.091 5.395 115 H ARG 14 H ARG 14 3.107 24.966 3.693 116 HA ARG 14 HA ARG 14 1.217 27.003 3.411 117 HB2 ARG 14 HB2 ARG 14 2.733 28.379 4.736 118 HB3 ARG 14 HB3 ARG 14 2.651 26.748 5.389 119 HG2 ARG 14 HG2 ARG 14 4.802 26.241 4.764 120 HG3 ARG 14 HG3 ARG 14 4.822 27.440 3.470 121 HD2 ARG 14 HD2 ARG 14 4.417 28.777 5.953 122 HD3 ARG 14 HD3 ARG 14 5.793 27.688 6.118 123 HE ARG 14 HE ARG 14 6.015 29.138 3.713 124 HH11 ARG 14 HH11 ARG 14 7.370 30.876 7.055 125 HH12 ARG 14 HH12 ARG 14 6.246 29.562 7.161 126 HH21 ARG 14 HH21 ARG 14 8.079 31.619 5.007 127 HH22 ARG 14 HH22 ARG 14 7.495 30.867 3.561 128 H ILE 15 H ILE 15 3.997 26.250 1.530 129 HA ILE 15 HA ILE 15 4.388 28.859 0.417 130 HB ILE 15 HB ILE 15 5.309 26.168 -0.598 131 HG12 ILE 15 HG12 ILE 15 6.856 28.274 0.924 132 HG13 ILE 15 HG13 ILE 15 6.131 26.856 1.676 133 HG21 ILE 15 HG21 ILE 15 5.441 28.813 -1.745 134 HG22 ILE 15 HG22 ILE 15 7.052 28.152 -1.471 135 HG23 ILE 15 HG23 ILE 15 5.887 27.259 -2.448 136 HD11 ILE 15 HD11 ILE 15 7.548 25.402 0.369 137 HD12 ILE 15 HD12 ILE 15 8.229 26.792 -0.480 138 HD13 ILE 15 HD13 ILE 15 8.525 26.580 1.246 139 H ALA 16 H ALA 16 3.224 25.821 -1.056 140 HA ALA 16 HA ALA 16 2.296 26.921 -3.433 141 HB1 ALA 16 HB1 ALA 16 1.724 24.429 -1.923 142 HB2 ALA 16 HB2 ALA 16 0.640 24.865 -3.244 143 HB3 ALA 16 HB3 ALA 16 2.362 24.646 -3.553 144 H TYR 17 H TYR 17 0.791 26.768 -0.277 145 HA TYR 17 HA TYR 17 -1.801 27.588 -1.218 146 HB2 TYR 17 HB2 TYR 17 -1.734 26.235 0.760 147 HB3 TYR 17 HB3 TYR 17 -0.612 27.338 1.548 148 HD1 TYR 17 HD1 TYR 17 -1.654 28.292 3.375 149 HD2 TYR 17 HD2 TYR 17 -3.841 27.894 -0.253 150 HE1 TYR 17 HE1 TYR 17 -3.544 29.495 4.390 151 HE2 TYR 17 HE2 TYR 17 -5.737 29.096 0.752 152 HH TYR 17 HH TYR 17 -6.610 29.507 3.117 153 H SER 18 H SER 18 1.103 29.141 -0.166 154 HA SER 18 HA SER 18 -0.185 31.689 0.334 155 HB2 SER 18 HB2 SER 18 1.655 31.349 1.749 156 HB3 SER 18 HB3 SER 18 2.656 30.706 0.447 157 HG SER 18 HG SER 18 3.189 32.673 -0.124 158 H LEU 19 H LEU 19 1.515 30.073 -2.237 159 HA LEU 19 HA LEU 19 2.056 32.411 -3.785 160 HB2 LEU 19 HB2 LEU 19 3.142 31.021 -5.165 161 HB3 LEU 19 HB3 LEU 19 2.943 29.860 -3.854 162 HG LEU 19 HG LEU 19 0.715 29.293 -5.140 163 HD11 LEU 19 HD11 LEU 19 2.269 30.917 -7.046 164 HD12 LEU 19 HD12 LEU 19 0.534 30.616 -6.956 165 HD13 LEU 19 HD13 LEU 19 1.601 29.410 -7.674 166 HD21 LEU 19 HD21 LEU 19 3.334 28.230 -5.043 167 HD22 LEU 19 HD22 LEU 19 2.752 28.056 -6.699 168 HD23 LEU 19 HD23 LEU 19 1.820 27.383 -5.361 169 H LEU 20 H LEU 20 -0.661 30.294 -3.402 170 HA LEU 20 HA LEU 20 -1.974 31.237 -5.812 171 HB2 LEU 20 HB2 LEU 20 -2.100 28.883 -4.599 172 HB3 LEU 20 HB3 LEU 20 -3.416 29.675 -3.735 173 HG LEU 20 HG LEU 20 -4.381 30.195 -6.047 174 HD11 LEU 20 HD11 LEU 20 -2.350 28.096 -6.783 175 HD12 LEU 20 HD12 LEU 20 -2.454 29.743 -7.403 176 HD13 LEU 20 HD13 LEU 20 -3.712 28.571 -7.798 177 HD21 LEU 20 HD21 LEU 20 -4.857 28.217 -4.298 178 HD22 LEU 20 HD22 LEU 20 -4.384 27.262 -5.703 179 HD23 LEU 20 HD23 LEU 20 -5.730 28.397 -5.819 180 H GLY 21 H GLY 21 -1.888 31.956 -2.428 181 HA2 GLY 21 HA2 GLY 21 -4.406 33.351 -2.363 182 HA3 GLY 21 HA3 GLY 21 -3.180 33.347 -1.103 183 H LEU 22 H LEU 22 -1.207 34.148 -3.322 184 HA LEU 22 HA LEU 22 -1.805 37.021 -3.160 185 HB2 LEU 22 HB2 LEU 22 0.430 35.682 -2.388 186 HB3 LEU 22 HB3 LEU 22 0.875 36.179 -4.019 187 HG LEU 22 HG LEU 22 -0.251 38.390 -2.545 188 HD11 LEU 22 HD11 LEU 22 2.116 36.987 -1.316 189 HD12 LEU 22 HD12 LEU 22 0.549 37.283 -0.564 190 HD13 LEU 22 HD13 LEU 22 1.614 38.636 -0.942 191 HD21 LEU 22 HD21 LEU 22 1.131 38.506 -4.593 192 HD22 LEU 22 HD22 LEU 22 2.513 37.929 -3.661 193 HD23 LEU 22 HD23 LEU 22 1.772 39.482 -3.271 194 H LYS 23 H LYS 23 -0.922 34.430 -5.360 195 HA LYS 23 HA LYS 23 -0.659 36.130 -7.653 196 HB2 LYS 23 HB2 LYS 23 0.425 33.847 -7.318 197 HB3 LYS 23 HB3 LYS 23 -1.151 33.155 -7.679 198 HG2 LYS 23 HG2 LYS 23 0.095 33.107 -9.684 199 HG3 LYS 23 HG3 LYS 23 -1.088 34.406 -9.856 200 HD2 LYS 23 HD2 LYS 23 1.040 35.169 -10.687 201 HD3 LYS 23 HD3 LYS 23 0.669 36.027 -9.190 202 HE2 LYS 23 HE2 LYS 23 2.360 35.035 -8.046 203 HE3 LYS 23 HE3 LYS 23 2.217 33.519 -8.935 204 HZ1 LYS 23 HZ1 LYS 23 4.138 35.432 -9.289 205 HZ2 LYS 23 HZ2 LYS 23 3.101 35.656 -10.606 206 HZ3 LYS 23 HZ3 LYS 23 3.807 34.143 -10.333 207 H ASP 24 H ASP 24 -3.283 34.811 -5.949 208 HA ASP 24 HA ASP 24 -5.071 35.114 -8.264 209 HB2 ASP 24 HB2 ASP 24 -4.973 32.968 -6.761 210 HB3 ASP 24 HB3 ASP 24 -5.949 33.930 -5.655 211 H GLN 25 H GLN 25 -4.272 36.383 -5.145 212 HA GLN 25 HA GLN 25 -6.666 38.066 -5.110 213 HB2 GLN 25 HB2 GLN 25 -5.623 36.755 -3.072 214 HB3 GLN 25 HB3 GLN 25 -4.581 38.168 -2.973 215 HG2 GLN 25 HG2 GLN 25 -7.254 39.068 -3.259 216 HG3 GLN 25 HG3 GLN 25 -7.217 37.838 -1.997 217 HE21 GLN 25 HE21 GLN 25 -6.075 38.219 -0.118 218 HE22 GLN 25 HE22 GLN 25 -5.489 39.785 0.315 219 H VAL 26 H VAL 26 -4.287 38.360 -6.941 220 HA VAL 26 HA VAL 26 -3.977 41.230 -6.558 221 HB VAL 26 HB VAL 26 -1.576 39.421 -6.867 222 HG11 VAL 26 HG11 VAL 26 -1.728 42.420 -6.578 223 HG12 VAL 26 HG12 VAL 26 -0.258 41.454 -6.718 224 HG13 VAL 26 HG13 VAL 26 -1.381 41.554 -8.074 225 HG21 VAL 26 HG21 VAL 26 -0.942 40.294 -4.638 226 HG22 VAL 26 HG22 VAL 26 -2.516 41.080 -4.529 227 HG23 VAL 26 HG23 VAL 26 -2.413 39.322 -4.606 228 HN1 NH2 27 HN1 NH2 27 -5.078 41.680 -8.428 229 HN2 NH2 27 HN2 NH2 27 -4.535 41.213 -10.005 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 0.933 11.210 -7.069 2 H2 ACE 1 H2 ACE 1 -0.826 11.465 -7.182 3 H3 ACE 1 H3 ACE 1 0.290 12.578 -8.010 4 H LYS 2 H LYS 2 -1.803 12.726 -5.780 5 HA LYS 2 HA LYS 2 -0.170 14.415 -4.012 6 HB2 LYS 2 HB2 LYS 2 -2.929 14.600 -5.077 7 HB3 LYS 2 HB3 LYS 2 -2.699 15.144 -3.421 8 HG2 LYS 2 HG2 LYS 2 -2.457 17.049 -4.781 9 HG3 LYS 2 HG3 LYS 2 -0.825 16.594 -4.283 10 HD2 LYS 2 HD2 LYS 2 -0.532 15.429 -6.445 11 HD3 LYS 2 HD3 LYS 2 -2.131 15.990 -6.937 12 HE2 LYS 2 HE2 LYS 2 0.059 17.867 -6.086 13 HE3 LYS 2 HE3 LYS 2 -0.146 17.343 -7.756 14 HZ1 LYS 2 HZ1 LYS 2 -1.773 18.801 -8.035 15 HZ2 LYS 2 HZ2 LYS 2 -1.422 19.440 -6.509 16 HZ3 LYS 2 HZ3 LYS 2 -2.608 18.245 -6.672 17 H ARG 3 H ARG 3 -2.159 11.610 -4.115 18 HA ARG 3 HA ARG 3 -2.423 11.545 -1.199 19 HB2 ARG 3 HB2 ARG 3 -4.117 10.749 -3.270 20 HB3 ARG 3 HB3 ARG 3 -3.505 9.244 -2.596 21 HG2 ARG 3 HG2 ARG 3 -4.787 11.439 -0.982 22 HG3 ARG 3 HG3 ARG 3 -5.624 10.003 -1.576 23 HD2 ARG 3 HD2 ARG 3 -4.090 8.585 -0.303 24 HD3 ARG 3 HD3 ARG 3 -3.252 10.020 0.287 25 HE ARG 3 HE ARG 3 -4.916 10.307 1.825 26 HH11 ARG 3 HH11 ARG 3 -7.519 7.766 0.152 27 HH12 ARG 3 HH12 ARG 3 -6.042 8.153 -0.667 28 HH21 ARG 3 HH21 ARG 3 -7.981 8.707 2.189 29 HH22 ARG 3 HH22 ARG 3 -6.857 9.805 2.915 30 H ILE 4 H ILE 4 0.058 11.022 -2.930 31 HA ILE 4 HA ILE 4 0.818 8.544 -1.550 32 HB ILE 4 HB ILE 4 1.656 9.150 -4.383 33 HG12 ILE 4 HG12 ILE 4 -0.771 8.685 -4.258 34 HG13 ILE 4 HG13 ILE 4 0.107 7.411 -5.098 35 HG21 ILE 4 HG21 ILE 4 1.977 6.475 -3.961 36 HG22 ILE 4 HG22 ILE 4 3.251 7.685 -3.816 37 HG23 ILE 4 HG23 ILE 4 2.380 7.146 -2.381 38 HD11 ILE 4 HD11 ILE 4 -1.650 7.166 -2.923 39 HD12 ILE 4 HD12 ILE 4 -0.700 5.902 -3.704 40 HD13 ILE 4 HD13 ILE 4 -0.039 6.775 -2.322 41 H GLY 5 H GLY 5 2.134 9.460 -0.050 42 HA2 GLY 5 HA2 GLY 5 4.433 9.945 0.433 43 HA3 GLY 5 HA3 GLY 5 4.532 10.810 -1.094 44 H VAL 6 H VAL 6 4.416 11.196 2.169 45 HA VAL 6 HA VAL 6 2.961 13.734 2.099 46 HB VAL 6 HB VAL 6 2.458 12.199 3.950 47 HG11 VAL 6 HG11 VAL 6 4.020 11.121 5.111 48 HG12 VAL 6 HG12 VAL 6 5.206 11.763 3.973 49 HG13 VAL 6 HG13 VAL 6 4.872 12.620 5.479 50 HG21 VAL 6 HG21 VAL 6 3.923 14.578 5.059 51 HG22 VAL 6 HG22 VAL 6 2.411 14.734 4.165 52 HG23 VAL 6 HG23 VAL 6 2.456 13.811 5.668 53 H ARG 7 H ARG 7 6.158 12.471 2.133 54 HA ARG 7 HA ARG 7 7.269 15.099 2.833 55 HB2 ARG 7 HB2 ARG 7 8.389 12.314 2.895 56 HB3 ARG 7 HB3 ARG 7 9.462 13.706 2.855 57 HG2 ARG 7 HG2 ARG 7 7.562 14.224 4.861 58 HG3 ARG 7 HG3 ARG 7 8.083 12.551 5.072 59 HD2 ARG 7 HD2 ARG 7 9.997 14.847 4.724 60 HD3 ARG 7 HD3 ARG 7 9.438 14.288 6.299 61 HE ARG 7 HE ARG 7 10.451 12.102 4.859 62 HH11 ARG 7 HH11 ARG 7 13.109 14.394 6.784 63 HH12 ARG 7 HH12 ARG 7 11.536 15.020 6.417 64 HH21 ARG 7 HH21 ARG 7 13.667 12.259 6.168 65 HH22 ARG 7 HH22 ARG 7 12.519 11.266 5.337 66 H LEU 8 H LEU 8 6.051 14.478 0.253 67 HA LEU 8 HA LEU 8 7.820 13.887 -1.780 68 HB2 LEU 8 HB2 LEU 8 6.305 14.860 -3.255 69 HB3 LEU 8 HB3 LEU 8 5.314 14.353 -1.889 70 HG LEU 8 HG LEU 8 6.061 17.018 -1.377 71 HD11 LEU 8 HD11 LEU 8 6.567 16.941 -3.902 72 HD12 LEU 8 HD12 LEU 8 5.565 18.251 -3.279 73 HD13 LEU 8 HD13 LEU 8 4.815 16.880 -4.096 74 HD21 LEU 8 HD21 LEU 8 3.671 17.418 -1.550 75 HD22 LEU 8 HD22 LEU 8 3.981 15.896 -0.714 76 HD23 LEU 8 HD23 LEU 8 3.457 15.886 -2.398 77 HA PRO 9 HA PRO 9 10.735 17.159 -2.032 78 HB2 PRO 9 HB2 PRO 9 11.168 17.268 -4.710 79 HB3 PRO 9 HB3 PRO 9 11.766 15.952 -3.692 80 HG2 PRO 9 HG2 PRO 9 9.339 16.040 -5.443 81 HG3 PRO 9 HG3 PRO 9 10.524 14.737 -5.239 82 HD2 PRO 9 HD2 PRO 9 8.110 14.715 -4.014 83 HD3 PRO 9 HD3 PRO 9 9.558 13.994 -3.283 84 H GLY 10 H GLY 10 11.186 19.110 -3.756 85 HA2 GLY 10 HA2 GLY 10 10.345 21.014 -4.821 86 HA3 GLY 10 HA3 GLY 10 8.714 20.443 -4.506 87 H HIS 11 H HIS 11 11.139 22.598 -3.578 88 HA HIS 11 HA HIS 11 9.831 23.137 -1.000 89 HB2 HIS 11 HB2 HIS 11 11.920 24.590 -0.640 90 HB3 HIS 11 HB3 HIS 11 12.131 22.842 -0.608 91 HD1 HIS 11 HD1 HIS 11 13.269 21.763 -2.735 92 HD2 HIS 11 HD2 HIS 11 13.332 25.915 -2.599 93 HE1 HIS 11 HE1 HIS 11 14.978 22.466 -4.441 94 H GLN 12 H GLN 12 11.179 24.826 -3.831 95 HA GLN 12 HA GLN 12 10.224 27.375 -3.215 96 HB2 GLN 12 HB2 GLN 12 11.503 26.095 -5.424 97 HB3 GLN 12 HB3 GLN 12 10.160 27.050 -6.038 98 HG2 GLN 12 HG2 GLN 12 11.031 29.042 -5.098 99 HG3 GLN 12 HG3 GLN 12 12.233 28.152 -4.165 100 HE21 GLN 12 HE21 GLN 12 14.101 27.481 -5.139 101 HE22 GLN 12 HE22 GLN 12 14.566 27.961 -6.732 102 H LYS 13 H LYS 13 8.614 24.602 -4.549 103 HA LYS 13 HA LYS 13 6.395 25.883 -5.715 104 HB2 LYS 13 HB2 LYS 13 5.264 23.651 -5.376 105 HB3 LYS 13 HB3 LYS 13 6.782 23.602 -6.263 106 HG2 LYS 13 HG2 LYS 13 7.636 22.171 -4.808 107 HG3 LYS 13 HG3 LYS 13 7.297 23.269 -3.468 108 HD2 LYS 13 HD2 LYS 13 5.115 21.595 -4.658 109 HD3 LYS 13 HD3 LYS 13 6.227 20.909 -3.470 110 HE2 LYS 13 HE2 LYS 13 5.576 22.503 -1.826 111 HE3 LYS 13 HE3 LYS 13 4.674 23.448 -3.011 112 HZ1 LYS 13 HZ1 LYS 13 2.895 22.271 -2.474 113 HZ2 LYS 13 HZ2 LYS 13 3.791 21.273 -1.445 114 HZ3 LYS 13 HZ3 LYS 13 3.637 20.878 -3.082 115 H ARG 14 H ARG 14 7.097 24.900 -2.419 116 HA ARG 14 HA ARG 14 4.537 25.126 -1.321 117 HB2 ARG 14 HB2 ARG 14 6.669 24.215 -0.239 118 HB3 ARG 14 HB3 ARG 14 7.063 25.888 0.134 119 HG2 ARG 14 HG2 ARG 14 4.468 25.617 1.034 120 HG3 ARG 14 HG3 ARG 14 5.223 24.075 1.444 121 HD2 ARG 14 HD2 ARG 14 5.829 25.238 3.295 122 HD3 ARG 14 HD3 ARG 14 7.168 25.707 2.249 123 HE ARG 14 HE ARG 14 5.313 27.616 1.769 124 HH11 ARG 14 HH11 ARG 14 6.593 27.827 5.556 125 HH12 ARG 14 HH12 ARG 14 6.737 26.340 4.678 126 HH21 ARG 14 HH21 ARG 14 5.672 29.668 4.552 127 HH22 ARG 14 HH22 ARG 14 5.119 29.579 2.914 128 H ILE 15 H ILE 15 6.723 27.538 -2.428 129 HA ILE 15 HA ILE 15 5.477 29.684 -0.925 130 HB ILE 15 HB ILE 15 7.559 29.793 -3.111 131 HG12 ILE 15 HG12 ILE 15 8.304 30.539 -0.374 132 HG13 ILE 15 HG13 ILE 15 7.842 28.849 -0.541 133 HG21 ILE 15 HG21 ILE 15 7.860 32.101 -1.783 134 HG22 ILE 15 HG22 ILE 15 6.825 31.930 -3.200 135 HG23 ILE 15 HG23 ILE 15 6.123 31.873 -1.584 136 HD11 ILE 15 HD11 ILE 15 9.929 28.478 -1.185 137 HD12 ILE 15 HD12 ILE 15 9.518 29.299 -2.691 138 HD13 ILE 15 HD13 ILE 15 10.256 30.201 -1.368 139 H ALA 16 H ALA 16 5.654 28.582 -4.290 140 HA ALA 16 HA ALA 16 4.050 30.653 -5.365 141 HB1 ALA 16 HB1 ALA 16 5.487 28.452 -6.360 142 HB2 ALA 16 HB2 ALA 16 3.823 28.253 -6.908 143 HB3 ALA 16 HB3 ALA 16 4.701 29.737 -7.277 144 H TYR 17 H TYR 17 3.310 27.780 -3.625 145 HA TYR 17 HA TYR 17 0.520 27.799 -4.496 146 HB2 TYR 17 HB2 TYR 17 2.198 25.877 -2.909 147 HB3 TYR 17 HB3 TYR 17 0.442 25.777 -2.870 148 HD1 TYR 17 HD1 TYR 17 3.044 26.261 -5.520 149 HD2 TYR 17 HD2 TYR 17 -0.417 24.143 -4.239 150 HE1 TYR 17 HE1 TYR 17 3.079 24.955 -7.604 151 HE2 TYR 17 HE2 TYR 17 -0.391 22.831 -6.319 152 HH TYR 17 HH TYR 17 0.479 22.752 -8.436 153 H SER 18 H SER 18 2.531 28.646 -1.792 154 HA SER 18 HA SER 18 0.403 28.865 0.113 155 HB2 SER 18 HB2 SER 18 2.565 28.478 1.019 156 HB3 SER 18 HB3 SER 18 3.271 29.804 0.096 157 HG SER 18 HG SER 18 2.541 31.205 1.518 158 H LEU 19 H LEU 19 1.834 30.942 -2.270 159 HA LEU 19 HA LEU 19 0.647 33.349 -1.180 160 HB2 LEU 19 HB2 LEU 19 2.665 32.696 -3.120 161 HB3 LEU 19 HB3 LEU 19 1.495 33.817 -3.813 162 HG LEU 19 HG LEU 19 3.410 34.996 -2.874 163 HD11 LEU 19 HD11 LEU 19 1.469 36.290 -2.837 164 HD12 LEU 19 HD12 LEU 19 2.099 36.418 -1.196 165 HD13 LEU 19 HD13 LEU 19 0.747 35.339 -1.539 166 HD21 LEU 19 HD21 LEU 19 2.589 34.123 -0.131 167 HD22 LEU 19 HD22 LEU 19 4.109 34.841 -0.668 168 HD23 LEU 19 HD23 LEU 19 3.731 33.166 -1.075 169 H LEU 20 H LEU 20 0.213 31.287 -4.039 170 HA LEU 20 HA LEU 20 -1.992 32.758 -5.067 171 HB2 LEU 20 HB2 LEU 20 -0.609 30.233 -5.681 172 HB3 LEU 20 HB3 LEU 20 -2.305 30.299 -6.153 173 HG LEU 20 HG LEU 20 -0.889 30.907 -8.018 174 HD11 LEU 20 HD11 LEU 20 -2.192 33.411 -6.976 175 HD12 LEU 20 HD12 LEU 20 -3.095 32.047 -7.635 176 HD13 LEU 20 HD13 LEU 20 -1.956 32.926 -8.655 177 HD21 LEU 20 HD21 LEU 20 0.334 33.177 -7.766 178 HD22 LEU 20 HD22 LEU 20 1.098 31.713 -7.146 179 HD23 LEU 20 HD23 LEU 20 0.285 32.820 -6.039 180 H GLY 21 H GLY 21 -1.658 30.358 -2.620 181 HA2 GLY 21 HA2 GLY 21 -4.353 29.390 -2.698 182 HA3 GLY 21 HA3 GLY 21 -3.195 29.146 -1.398 183 H LEU 22 H LEU 22 -2.699 31.977 -0.990 184 HA LEU 22 HA LEU 22 -5.126 32.577 0.528 185 HB2 LEU 22 HB2 LEU 22 -2.522 32.619 1.268 186 HB3 LEU 22 HB3 LEU 22 -2.763 34.308 0.825 187 HG LEU 22 HG LEU 22 -4.864 34.057 2.410 188 HD11 LEU 22 HD11 LEU 22 -4.890 32.351 3.857 189 HD12 LEU 22 HD12 LEU 22 -3.140 32.377 4.072 190 HD13 LEU 22 HD13 LEU 22 -3.845 31.545 2.687 191 HD21 LEU 22 HD21 LEU 22 -2.652 35.444 2.567 192 HD22 LEU 22 HD22 LEU 22 -2.229 34.252 3.796 193 HD23 LEU 22 HD23 LEU 22 -3.679 35.239 3.986 194 H LYS 23 H LYS 23 -3.158 33.780 -2.081 195 HA LYS 23 HA LYS 23 -4.365 36.380 -2.171 196 HB2 LYS 23 HB2 LYS 23 -2.611 34.849 -4.088 197 HB3 LYS 23 HB3 LYS 23 -3.240 36.450 -4.457 198 HG2 LYS 23 HG2 LYS 23 -1.597 35.846 -2.012 199 HG3 LYS 23 HG3 LYS 23 -0.906 36.383 -3.545 200 HD2 LYS 23 HD2 LYS 23 -1.446 38.505 -3.127 201 HD3 LYS 23 HD3 LYS 23 -3.114 38.068 -2.748 202 HE2 LYS 23 HE2 LYS 23 -2.746 38.136 -0.537 203 HE3 LYS 23 HE3 LYS 23 -1.196 37.308 -0.677 204 HZ1 LYS 23 HZ1 LYS 23 -0.274 39.470 -1.482 205 HZ2 LYS 23 HZ2 LYS 23 -0.766 39.470 0.136 206 HZ3 LYS 23 HZ3 LYS 23 -1.736 40.200 -1.043 207 H ASP 24 H ASP 24 -5.264 33.271 -3.229 208 HA ASP 24 HA ASP 24 -6.921 34.136 -5.422 209 HB2 ASP 24 HB2 ASP 24 -5.951 31.919 -5.513 210 HB3 ASP 24 HB3 ASP 24 -6.708 31.485 -3.983 211 H GLN 25 H GLN 25 -7.278 33.620 -2.010 212 HA GLN 25 HA GLN 25 -10.187 33.977 -2.231 213 HB2 GLN 25 HB2 GLN 25 -10.155 33.250 0.207 214 HB3 GLN 25 HB3 GLN 25 -9.743 32.023 -0.983 215 HG2 GLN 25 HG2 GLN 25 -7.402 32.266 -0.498 216 HG3 GLN 25 HG3 GLN 25 -7.731 33.614 0.589 217 HE21 GLN 25 HE21 GLN 25 -6.483 30.924 0.976 218 HE22 GLN 25 HE22 GLN 25 -7.338 30.232 2.308 219 H VAL 26 H VAL 26 -7.334 35.601 -1.474 220 HA VAL 26 HA VAL 26 -7.958 37.264 0.635 221 HB VAL 26 HB VAL 26 -5.765 37.197 -0.553 222 HG11 VAL 26 HG11 VAL 26 -5.421 38.038 -2.631 223 HG12 VAL 26 HG12 VAL 26 -7.120 37.599 -2.819 224 HG13 VAL 26 HG13 VAL 26 -6.673 39.268 -2.461 225 HG21 VAL 26 HG21 VAL 26 -5.375 39.699 -0.389 226 HG22 VAL 26 HG22 VAL 26 -7.092 39.841 -0.012 227 HG23 VAL 26 HG23 VAL 26 -6.031 38.911 1.046 228 HN1 NH2 27 HN1 NH2 27 -9.136 37.334 -2.665 229 HN2 NH2 27 HN2 NH2 27 -10.184 38.702 -2.488 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -2.929 9.854 3.941 2 H2 ACE 1 H2 ACE 1 -3.554 11.447 3.448 3 H3 ACE 1 H3 ACE 1 -3.398 10.141 2.248 4 H LYS 2 H LYS 2 -1.082 9.162 2.344 5 HA LYS 2 HA LYS 2 0.891 11.335 2.462 6 HB2 LYS 2 HB2 LYS 2 1.296 8.340 2.355 7 HB3 LYS 2 HB3 LYS 2 2.586 9.534 2.432 8 HG2 LYS 2 HG2 LYS 2 0.763 10.024 4.564 9 HG3 LYS 2 HG3 LYS 2 1.198 8.314 4.562 10 HD2 LYS 2 HD2 LYS 2 3.333 8.730 5.154 11 HD3 LYS 2 HD3 LYS 2 3.440 10.167 4.135 12 HE2 LYS 2 HE2 LYS 2 3.202 11.448 5.932 13 HE3 LYS 2 HE3 LYS 2 1.619 10.733 6.229 14 HZ1 LYS 2 HZ1 LYS 2 3.100 10.505 8.136 15 HZ2 LYS 2 HZ2 LYS 2 4.202 9.632 7.196 16 HZ3 LYS 2 HZ3 LYS 2 2.669 8.992 7.513 17 H ARG 3 H ARG 3 -0.799 9.245 0.316 18 HA ARG 3 HA ARG 3 1.045 9.756 -1.888 19 HB2 ARG 3 HB2 ARG 3 -0.508 7.579 -1.249 20 HB3 ARG 3 HB3 ARG 3 -1.459 8.362 -2.504 21 HG2 ARG 3 HG2 ARG 3 1.451 7.664 -2.807 22 HG3 ARG 3 HG3 ARG 3 0.125 6.616 -3.316 23 HD2 ARG 3 HD2 ARG 3 -0.704 8.488 -4.744 24 HD3 ARG 3 HD3 ARG 3 0.757 9.384 -4.328 25 HE ARG 3 HE ARG 3 1.465 6.855 -5.339 26 HH11 ARG 3 HH11 ARG 3 0.739 9.760 -7.996 27 HH12 ARG 3 HH12 ARG 3 0.136 9.901 -6.378 28 HH21 ARG 3 HH21 ARG 3 1.949 7.916 -8.614 29 HH22 ARG 3 HH22 ARG 3 2.265 6.659 -7.466 30 H ILE 4 H ILE 4 -0.862 11.743 -0.525 31 HA ILE 4 HA ILE 4 -2.686 12.470 -2.641 32 HB ILE 4 HB ILE 4 -3.374 12.872 -0.355 33 HG12 ILE 4 HG12 ILE 4 -4.028 15.228 -0.537 34 HG13 ILE 4 HG13 ILE 4 -2.802 15.483 -1.774 35 HG21 ILE 4 HG21 ILE 4 -1.986 13.609 1.212 36 HG22 ILE 4 HG22 ILE 4 -0.714 13.698 -0.004 37 HG23 ILE 4 HG23 ILE 4 -1.719 15.109 0.324 38 HD11 ILE 4 HD11 ILE 4 -4.817 13.369 -2.259 39 HD12 ILE 4 HD12 ILE 4 -5.339 15.051 -2.365 40 HD13 ILE 4 HD13 ILE 4 -4.027 14.469 -3.389 41 H GLY 5 H GLY 5 0.542 13.247 -1.694 42 HA2 GLY 5 HA2 GLY 5 1.846 14.232 -3.590 43 HA3 GLY 5 HA3 GLY 5 0.575 15.443 -3.673 44 H VAL 6 H VAL 6 1.173 14.569 -0.489 45 HA VAL 6 HA VAL 6 2.392 17.126 0.060 46 HB VAL 6 HB VAL 6 0.643 16.160 1.536 47 HG11 VAL 6 HG11 VAL 6 0.896 14.235 2.742 48 HG12 VAL 6 HG12 VAL 6 1.833 13.813 1.307 49 HG13 VAL 6 HG13 VAL 6 2.655 14.353 2.771 50 HG21 VAL 6 HG21 VAL 6 2.271 17.871 2.312 51 HG22 VAL 6 HG22 VAL 6 1.656 16.842 3.605 52 HG23 VAL 6 HG23 VAL 6 3.272 16.568 2.955 53 H ARG 7 H ARG 7 3.457 13.904 -0.436 54 HA ARG 7 HA ARG 7 6.018 14.392 0.890 55 HB2 ARG 7 HB2 ARG 7 6.466 12.039 0.554 56 HB3 ARG 7 HB3 ARG 7 4.866 12.230 1.258 57 HG2 ARG 7 HG2 ARG 7 3.796 11.718 -0.776 58 HG3 ARG 7 HG3 ARG 7 5.292 11.899 -1.694 59 HD2 ARG 7 HD2 ARG 7 4.543 9.529 -1.275 60 HD3 ARG 7 HD3 ARG 7 6.196 9.907 -0.793 61 HE ARG 7 HE ARG 7 4.374 10.245 1.366 62 HH11 ARG 7 HH11 ARG 7 6.145 6.695 0.828 63 HH12 ARG 7 HH12 ARG 7 6.106 7.845 -0.467 64 HH21 ARG 7 HH21 ARG 7 5.184 7.205 2.844 65 HH22 ARG 7 HH22 ARG 7 4.418 8.740 3.079 66 H LEU 8 H LEU 8 4.960 15.540 -1.765 67 HA LEU 8 HA LEU 8 6.764 14.486 -3.742 68 HB2 LEU 8 HB2 LEU 8 5.138 17.023 -3.796 69 HB3 LEU 8 HB3 LEU 8 5.912 16.246 -5.176 70 HG LEU 8 HG LEU 8 3.706 14.967 -3.571 71 HD11 LEU 8 HD11 LEU 8 3.469 16.436 -6.191 72 HD12 LEU 8 HD12 LEU 8 2.959 17.077 -4.630 73 HD13 LEU 8 HD13 LEU 8 2.173 15.645 -5.293 74 HD21 LEU 8 HD21 LEU 8 4.997 13.352 -4.756 75 HD22 LEU 8 HD22 LEU 8 5.006 14.342 -6.216 76 HD23 LEU 8 HD23 LEU 8 3.503 13.603 -5.660 77 HA PRO 9 HA PRO 9 10.300 16.975 -2.978 78 HB2 PRO 9 HB2 PRO 9 11.245 17.321 -5.499 79 HB3 PRO 9 HB3 PRO 9 11.347 15.781 -4.638 80 HG2 PRO 9 HG2 PRO 9 9.371 16.667 -6.704 81 HG3 PRO 9 HG3 PRO 9 10.194 15.105 -6.540 82 HD2 PRO 9 HD2 PRO 9 7.641 15.500 -5.727 83 HD3 PRO 9 HD3 PRO 9 8.739 14.368 -4.911 84 H GLY 10 H GLY 10 11.076 19.094 -3.041 85 HA2 GLY 10 HA2 GLY 10 11.097 21.300 -4.051 86 HA3 GLY 10 HA3 GLY 10 9.432 21.029 -4.544 87 H HIS 11 H HIS 11 11.362 22.593 -2.364 88 HA HIS 11 HA HIS 11 9.278 22.654 -0.290 89 HB2 HIS 11 HB2 HIS 11 11.137 23.815 1.052 90 HB3 HIS 11 HB3 HIS 11 11.318 22.092 0.737 91 HD1 HIS 11 HD1 HIS 11 13.091 21.421 -1.105 92 HD2 HIS 11 HD2 HIS 11 13.123 25.421 0.019 93 HE1 HIS 11 HE1 HIS 11 15.271 22.342 -1.957 94 H GLN 12 H GLN 12 11.493 24.811 -2.058 95 HA GLN 12 HA GLN 12 10.379 27.227 -1.198 96 HB2 GLN 12 HB2 GLN 12 12.171 26.357 -3.367 97 HB3 GLN 12 HB3 GLN 12 11.290 27.845 -3.690 98 HG2 GLN 12 HG2 GLN 12 12.171 28.296 -1.167 99 HG3 GLN 12 HG3 GLN 12 13.480 27.313 -1.820 100 HE21 GLN 12 HE21 GLN 12 15.069 28.628 -2.357 101 HE22 GLN 12 HE22 GLN 12 14.914 30.089 -3.267 102 H LYS 13 H LYS 13 9.331 24.951 -3.595 103 HA LYS 13 HA LYS 13 7.604 26.693 -5.035 104 HB2 LYS 13 HB2 LYS 13 7.731 23.691 -4.776 105 HB3 LYS 13 HB3 LYS 13 6.547 24.505 -5.790 106 HG2 LYS 13 HG2 LYS 13 9.258 25.422 -6.287 107 HG3 LYS 13 HG3 LYS 13 9.060 23.688 -6.552 108 HD2 LYS 13 HD2 LYS 13 7.274 24.064 -8.104 109 HD3 LYS 13 HD3 LYS 13 7.239 25.787 -7.721 110 HE2 LYS 13 HE2 LYS 13 9.845 24.768 -8.615 111 HE3 LYS 13 HE3 LYS 13 8.566 24.691 -9.826 112 HZ1 LYS 13 HZ1 LYS 13 9.862 27.010 -8.641 113 HZ2 LYS 13 HZ2 LYS 13 8.199 27.149 -8.916 114 HZ3 LYS 13 HZ3 LYS 13 9.242 26.794 -10.200 115 H ARG 14 H ARG 14 7.174 24.541 -2.272 116 HA ARG 14 HA ARG 14 4.388 24.646 -2.080 117 HB2 ARG 14 HB2 ARG 14 6.372 23.409 -0.677 118 HB3 ARG 14 HB3 ARG 14 5.847 24.626 0.479 119 HG2 ARG 14 HG2 ARG 14 4.013 22.660 -0.876 120 HG3 ARG 14 HG3 ARG 14 4.706 22.447 0.733 121 HD2 ARG 14 HD2 ARG 14 2.803 24.595 -0.183 122 HD3 ARG 14 HD3 ARG 14 2.496 23.316 0.992 123 HE ARG 14 HE ARG 14 3.856 25.810 1.453 124 HH11 ARG 14 HH11 ARG 14 3.891 22.875 4.175 125 HH12 ARG 14 HH12 ARG 14 3.409 22.535 2.547 126 HH21 ARG 14 HH21 ARG 14 4.507 25.000 4.771 127 HH22 ARG 14 HH22 ARG 14 4.493 26.270 3.594 128 H ILE 15 H ILE 15 6.771 27.030 -1.407 129 HA ILE 15 HA ILE 15 5.044 28.610 0.304 130 HB ILE 15 HB ILE 15 7.741 29.274 -0.883 131 HG12 ILE 15 HG12 ILE 15 7.494 28.884 2.015 132 HG13 ILE 15 HG13 ILE 15 7.160 27.433 1.076 133 HG21 ILE 15 HG21 ILE 15 5.800 30.840 0.643 134 HG22 ILE 15 HG22 ILE 15 7.425 30.849 1.326 135 HG23 ILE 15 HG23 ILE 15 7.166 31.369 -0.339 136 HD11 ILE 15 HD11 ILE 15 9.653 28.494 1.802 137 HD12 ILE 15 HD12 ILE 15 9.321 27.098 0.775 138 HD13 ILE 15 HD13 ILE 15 9.506 28.697 0.056 139 H ALA 16 H ALA 16 6.394 28.810 -2.970 140 HA ALA 16 HA ALA 16 5.199 31.287 -3.635 141 HB1 ALA 16 HB1 ALA 16 7.115 29.893 -4.790 142 HB2 ALA 16 HB2 ALA 16 5.771 29.280 -5.754 143 HB3 ALA 16 HB3 ALA 16 6.109 31.011 -5.713 144 H TYR 17 H TYR 17 3.982 28.072 -3.471 145 HA TYR 17 HA TYR 17 1.657 28.712 -5.120 146 HB2 TYR 17 HB2 TYR 17 2.816 26.511 -5.367 147 HB3 TYR 17 HB3 TYR 17 2.328 26.115 -3.723 148 HD1 TYR 17 HD1 TYR 17 0.877 27.153 -7.001 149 HD2 TYR 17 HD2 TYR 17 0.327 24.994 -3.376 150 HE1 TYR 17 HE1 TYR 17 -1.258 26.277 -7.854 151 HE2 TYR 17 HE2 TYR 17 -1.808 24.111 -4.219 152 HH TYR 17 HH TYR 17 -3.348 24.252 -5.838 153 H SER 18 H SER 18 2.608 28.357 -1.809 154 HA SER 18 HA SER 18 -0.066 28.103 -0.778 155 HB2 SER 18 HB2 SER 18 1.691 27.121 0.524 156 HB3 SER 18 HB3 SER 18 2.598 28.633 0.549 157 HG SER 18 HG SER 18 0.724 27.790 2.250 158 H LEU 19 H LEU 19 2.087 30.687 -1.591 159 HA LEU 19 HA LEU 19 0.595 32.669 -0.086 160 HB2 LEU 19 HB2 LEU 19 3.152 32.527 -1.459 161 HB3 LEU 19 HB3 LEU 19 2.284 34.020 -1.811 162 HG LEU 19 HG LEU 19 3.906 34.186 0.072 163 HD11 LEU 19 HD11 LEU 19 2.606 35.675 1.221 164 HD12 LEU 19 HD12 LEU 19 1.198 34.613 1.230 165 HD13 LEU 19 HD13 LEU 19 1.639 35.479 -0.241 166 HD21 LEU 19 HD21 LEU 19 2.135 32.921 2.001 167 HD22 LEU 19 HD22 LEU 19 3.886 32.804 1.823 168 HD23 LEU 19 HD23 LEU 19 2.830 31.773 0.856 169 H LEU 20 H LEU 20 1.209 31.869 -3.492 170 HA LEU 20 HA LEU 20 -0.476 33.901 -4.538 171 HB2 LEU 20 HB2 LEU 20 1.048 31.619 -5.570 172 HB3 LEU 20 HB3 LEU 20 -0.402 32.003 -6.495 173 HG LEU 20 HG LEU 20 1.522 33.084 -7.477 174 HD11 LEU 20 HD11 LEU 20 0.575 35.156 -7.801 175 HD12 LEU 20 HD12 LEU 20 0.091 35.320 -6.114 176 HD13 LEU 20 HD13 LEU 20 -0.797 34.236 -7.184 177 HD21 LEU 20 HD21 LEU 20 3.047 34.381 -6.361 178 HD22 LEU 20 HD22 LEU 20 2.652 33.202 -5.110 179 HD23 LEU 20 HD23 LEU 20 1.915 34.804 -5.077 180 H GLY 21 H GLY 21 -1.064 30.776 -3.219 181 HA2 GLY 21 HA2 GLY 21 -3.563 30.296 -4.534 182 HA3 GLY 21 HA3 GLY 21 -2.949 29.448 -3.123 183 H LEU 22 H LEU 22 -2.611 31.780 -1.483 184 HA LEU 22 HA LEU 22 -5.409 32.176 -0.752 185 HB2 LEU 22 HB2 LEU 22 -3.237 31.584 0.751 186 HB3 LEU 22 HB3 LEU 22 -3.289 33.336 0.930 187 HG LEU 22 HG LEU 22 -5.815 31.854 1.399 188 HD11 LEU 22 HD11 LEU 22 -5.166 31.322 3.698 189 HD12 LEU 22 HD12 LEU 22 -3.513 31.825 3.346 190 HD13 LEU 22 HD13 LEU 22 -4.202 30.425 2.525 191 HD21 LEU 22 HD21 LEU 22 -6.200 34.027 1.869 192 HD22 LEU 22 HD22 LEU 22 -4.502 34.370 2.202 193 HD23 LEU 22 HD23 LEU 22 -5.502 33.590 3.429 194 H LYS 23 H LYS 23 -2.643 33.925 -1.933 195 HA LYS 23 HA LYS 23 -3.753 36.531 -1.425 196 HB2 LYS 23 HB2 LYS 23 -1.384 35.590 -3.041 197 HB3 LYS 23 HB3 LYS 23 -1.841 37.283 -2.906 198 HG2 LYS 23 HG2 LYS 23 -1.355 35.630 -0.460 199 HG3 LYS 23 HG3 LYS 23 -0.016 36.359 -1.349 200 HD2 LYS 23 HD2 LYS 23 -0.384 38.177 -0.100 201 HD3 LYS 23 HD3 LYS 23 -1.807 38.436 -1.113 202 HE2 LYS 23 HE2 LYS 23 -3.082 36.993 0.513 203 HE3 LYS 23 HE3 LYS 23 -1.667 37.059 1.563 204 HZ1 LYS 23 HZ1 LYS 23 -3.164 38.744 2.254 205 HZ2 LYS 23 HZ2 LYS 23 -3.354 39.333 0.679 206 HZ3 LYS 23 HZ3 LYS 23 -1.876 39.524 1.481 207 H ASP 24 H ASP 24 -4.176 34.141 -3.793 208 HA ASP 24 HA ASP 24 -4.713 35.778 -6.048 209 HB2 ASP 24 HB2 ASP 24 -4.257 33.523 -6.537 210 HB3 ASP 24 HB3 ASP 24 -5.393 32.938 -5.325 211 H GLN 25 H GLN 25 -6.653 34.618 -3.370 212 HA GLN 25 HA GLN 25 -9.061 35.802 -4.538 213 HB2 GLN 25 HB2 GLN 25 -8.539 33.834 -2.353 214 HB3 GLN 25 HB3 GLN 25 -10.023 34.777 -2.301 215 HG2 GLN 25 HG2 GLN 25 -9.266 33.316 -4.791 216 HG3 GLN 25 HG3 GLN 25 -10.006 32.453 -3.444 217 HE21 GLN 25 HE21 GLN 25 -10.646 33.949 -6.267 218 HE22 GLN 25 HE22 GLN 25 -12.294 34.397 -6.006 219 H VAL 26 H VAL 26 -6.752 37.335 -3.420 220 HA VAL 26 HA VAL 26 -7.529 38.474 -0.939 221 HB VAL 26 HB VAL 26 -5.213 38.566 -1.855 222 HG11 VAL 26 HG11 VAL 26 -6.312 40.732 -3.642 223 HG12 VAL 26 HG12 VAL 26 -4.631 40.207 -3.527 224 HG13 VAL 26 HG13 VAL 26 -5.854 39.116 -4.179 225 HG21 VAL 26 HG21 VAL 26 -5.739 39.999 -0.025 226 HG22 VAL 26 HG22 VAL 26 -4.802 40.947 -1.178 227 HG23 VAL 26 HG23 VAL 26 -6.550 41.153 -1.083 228 HN1 NH2 27 HN1 NH2 27 -8.726 40.258 -0.442 229 HN2 NH2 27 HN2 NH2 27 -9.627 41.180 -1.598 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -6.600 8.362 2.769 2 H2 ACE 1 H2 ACE 1 -5.342 7.124 2.536 3 H3 ACE 1 H3 ACE 1 -5.380 8.084 4.035 4 H LYS 2 H LYS 2 -3.144 8.461 3.436 5 HA LYS 2 HA LYS 2 -2.930 10.744 1.585 6 HB2 LYS 2 HB2 LYS 2 -2.506 10.993 4.150 7 HB3 LYS 2 HB3 LYS 2 -0.966 10.223 3.792 8 HG2 LYS 2 HG2 LYS 2 -0.232 12.003 2.496 9 HG3 LYS 2 HG3 LYS 2 -1.866 12.625 2.252 10 HD2 LYS 2 HD2 LYS 2 -1.225 14.104 3.840 11 HD3 LYS 2 HD3 LYS 2 -1.709 12.801 4.928 12 HE2 LYS 2 HE2 LYS 2 0.823 12.065 4.460 13 HE3 LYS 2 HE3 LYS 2 0.987 13.805 4.235 14 HZ1 LYS 2 HZ1 LYS 2 -0.453 12.864 6.600 15 HZ2 LYS 2 HZ2 LYS 2 0.532 14.225 6.408 16 HZ3 LYS 2 HZ3 LYS 2 1.230 12.694 6.588 17 H ARG 3 H ARG 3 -2.759 8.427 0.315 18 HA ARG 3 HA ARG 3 0.079 7.715 0.124 19 HB2 ARG 3 HB2 ARG 3 -2.177 6.138 0.139 20 HB3 ARG 3 HB3 ARG 3 -1.799 6.243 -1.575 21 HG2 ARG 3 HG2 ARG 3 0.154 5.395 0.554 22 HG3 ARG 3 HG3 ARG 3 -0.786 4.290 -0.451 23 HD2 ARG 3 HD2 ARG 3 0.256 5.246 -2.456 24 HD3 ARG 3 HD3 ARG 3 1.207 6.327 -1.438 25 HE ARG 3 HE ARG 3 2.607 4.579 -0.936 26 HH11 ARG 3 HH11 ARG 3 0.342 1.751 -2.640 27 HH12 ARG 3 HH12 ARG 3 -0.277 3.359 -2.458 28 HH21 ARG 3 HH21 ARG 3 2.453 1.244 -1.907 29 HH22 ARG 3 HH22 ARG 3 3.433 2.465 -1.170 30 H ILE 4 H ILE 4 -1.427 10.146 -1.005 31 HA ILE 4 HA ILE 4 -1.119 9.801 -3.864 32 HB ILE 4 HB ILE 4 -2.960 11.171 -3.097 33 HG12 ILE 4 HG12 ILE 4 -2.537 13.202 -4.421 34 HG13 ILE 4 HG13 ILE 4 -0.810 12.864 -4.391 35 HG21 ILE 4 HG21 ILE 4 -1.034 12.168 -1.264 36 HG22 ILE 4 HG22 ILE 4 -1.657 13.524 -2.201 37 HG23 ILE 4 HG23 ILE 4 -2.769 12.479 -1.316 38 HD11 ILE 4 HD11 ILE 4 -2.613 12.088 -6.329 39 HD12 ILE 4 HD12 ILE 4 -0.970 11.482 -6.116 40 HD13 ILE 4 HD13 ILE 4 -2.329 10.619 -5.396 41 H GLY 5 H GLY 5 0.723 11.004 -1.196 42 HA2 GLY 5 HA2 GLY 5 3.188 11.007 -1.908 43 HA3 GLY 5 HA3 GLY 5 2.658 12.242 -3.041 44 H VAL 6 H VAL 6 4.078 11.754 -0.110 45 HA VAL 6 HA VAL 6 3.070 14.263 1.040 46 HB VAL 6 HB VAL 6 3.047 12.260 2.502 47 HG11 VAL 6 HG11 VAL 6 5.888 12.251 3.070 48 HG12 VAL 6 HG12 VAL 6 4.797 10.902 2.742 49 HG13 VAL 6 HG13 VAL 6 5.548 11.776 1.406 50 HG21 VAL 6 HG21 VAL 6 3.629 14.787 3.166 51 HG22 VAL 6 HG22 VAL 6 3.507 13.487 4.352 52 HG23 VAL 6 HG23 VAL 6 5.089 13.993 3.757 53 H ARG 7 H ARG 7 5.802 12.831 -0.480 54 HA ARG 7 HA ARG 7 7.444 15.180 0.204 55 HB2 ARG 7 HB2 ARG 7 8.206 12.342 -0.452 56 HB3 ARG 7 HB3 ARG 7 9.365 13.660 -0.570 57 HG2 ARG 7 HG2 ARG 7 9.156 14.134 1.769 58 HG3 ARG 7 HG3 ARG 7 7.836 12.974 1.930 59 HD2 ARG 7 HD2 ARG 7 10.362 11.936 0.806 60 HD3 ARG 7 HD3 ARG 7 10.401 12.406 2.505 61 HE ARG 7 HE ARG 7 9.105 10.122 1.384 62 HH11 ARG 7 HH11 ARG 7 8.098 11.404 5.041 63 HH12 ARG 7 HH12 ARG 7 8.963 12.453 3.966 64 HH21 ARG 7 HH21 ARG 7 7.534 9.287 4.371 65 HH22 ARG 7 HH22 ARG 7 7.967 8.731 2.790 66 H LEU 8 H LEU 8 5.707 15.751 -1.687 67 HA LEU 8 HA LEU 8 6.513 15.063 -4.331 68 HB2 LEU 8 HB2 LEU 8 4.975 17.542 -3.678 69 HB3 LEU 8 HB3 LEU 8 4.828 16.475 -5.073 70 HG LEU 8 HG LEU 8 4.081 14.828 -3.026 71 HD11 LEU 8 HD11 LEU 8 2.260 16.482 -1.996 72 HD12 LEU 8 HD12 LEU 8 3.578 17.631 -2.229 73 HD13 LEU 8 HD13 LEU 8 3.827 16.193 -1.238 74 HD21 LEU 8 HD21 LEU 8 2.990 15.162 -5.219 75 HD22 LEU 8 HD22 LEU 8 2.263 16.646 -4.602 76 HD23 LEU 8 HD23 LEU 8 1.843 15.091 -3.882 77 HA PRO 9 HA PRO 9 9.780 17.896 -5.095 78 HB2 PRO 9 HB2 PRO 9 9.384 18.454 -7.722 79 HB3 PRO 9 HB3 PRO 9 10.001 16.898 -7.153 80 HG2 PRO 9 HG2 PRO 9 7.219 17.650 -7.963 81 HG3 PRO 9 HG3 PRO 9 8.138 16.183 -8.346 82 HD2 PRO 9 HD2 PRO 9 6.257 16.257 -6.400 83 HD3 PRO 9 HD3 PRO 9 7.693 15.219 -6.300 84 H GLY 10 H GLY 10 10.286 20.106 -5.631 85 HA2 GLY 10 HA2 GLY 10 9.624 22.323 -6.256 86 HA3 GLY 10 HA3 GLY 10 7.965 21.898 -5.865 87 H HIS 11 H HIS 11 10.831 23.325 -4.753 88 HA HIS 11 HA HIS 11 9.895 23.302 -1.969 89 HB2 HIS 11 HB2 HIS 11 12.220 24.301 -1.543 90 HB3 HIS 11 HB3 HIS 11 12.144 22.607 -2.019 91 HD1 HIS 11 HD1 HIS 11 13.377 25.925 -3.129 92 HD2 HIS 11 HD2 HIS 11 13.100 22.061 -4.632 93 HE1 HIS 11 HE1 HIS 11 14.860 25.886 -5.159 94 H GLN 12 H GLN 12 11.199 25.529 -4.422 95 HA GLN 12 HA GLN 12 10.394 27.847 -2.916 96 HB2 GLN 12 HB2 GLN 12 11.830 27.329 -5.458 97 HB3 GLN 12 HB3 GLN 12 10.987 28.867 -5.332 98 HG2 GLN 12 HG2 GLN 12 12.212 29.125 -3.093 99 HG3 GLN 12 HG3 GLN 12 13.251 27.825 -3.676 100 HE21 GLN 12 HE21 GLN 12 15.077 29.062 -3.845 101 HE22 GLN 12 HE22 GLN 12 15.265 30.318 -5.016 102 H LYS 13 H LYS 13 9.096 25.904 -5.495 103 HA LYS 13 HA LYS 13 7.190 27.745 -6.478 104 HB2 LYS 13 HB2 LYS 13 7.298 24.729 -6.520 105 HB3 LYS 13 HB3 LYS 13 6.029 25.651 -7.315 106 HG2 LYS 13 HG2 LYS 13 8.173 26.871 -8.356 107 HG3 LYS 13 HG3 LYS 13 8.854 25.268 -8.069 108 HD2 LYS 13 HD2 LYS 13 7.739 24.402 -9.794 109 HD3 LYS 13 HD3 LYS 13 6.215 25.098 -9.239 110 HE2 LYS 13 HE2 LYS 13 6.642 26.008 -11.388 111 HE3 LYS 13 HE3 LYS 13 6.980 27.284 -10.220 112 HZ1 LYS 13 HZ1 LYS 13 9.100 27.367 -10.843 113 HZ2 LYS 13 HZ2 LYS 13 8.653 26.449 -12.191 114 HZ3 LYS 13 HZ3 LYS 13 9.282 25.685 -10.819 115 H ARG 14 H ARG 14 7.206 25.542 -3.765 116 HA ARG 14 HA ARG 14 4.410 25.614 -3.254 117 HB2 ARG 14 HB2 ARG 14 6.126 23.909 -2.409 118 HB3 ARG 14 HB3 ARG 14 6.539 25.105 -1.187 119 HG2 ARG 14 HG2 ARG 14 3.783 24.941 -1.046 120 HG3 ARG 14 HG3 ARG 14 4.301 23.275 -1.311 121 HD2 ARG 14 HD2 ARG 14 4.563 23.271 0.926 122 HD3 ARG 14 HD3 ARG 14 6.097 24.054 0.546 123 HE ARG 14 HE ARG 14 5.291 26.006 1.444 124 HH11 ARG 14 HH11 ARG 14 1.514 24.739 1.841 125 HH12 ARG 14 HH12 ARG 14 2.661 23.773 0.974 126 HH21 ARG 14 HH21 ARG 14 2.157 26.738 2.758 127 HH22 ARG 14 HH22 ARG 14 3.790 27.287 2.588 128 H ILE 15 H ILE 15 6.961 27.821 -2.701 129 HA ILE 15 HA ILE 15 5.624 29.207 -0.530 130 HB ILE 15 HB ILE 15 8.113 29.955 -2.070 131 HG12 ILE 15 HG12 ILE 15 8.366 27.878 -0.783 132 HG13 ILE 15 HG13 ILE 15 9.317 29.181 -0.077 133 HG21 ILE 15 HG21 ILE 15 8.110 31.166 0.449 134 HG22 ILE 15 HG22 ILE 15 7.911 31.950 -1.117 135 HG23 ILE 15 HG23 ILE 15 6.494 31.428 -0.206 136 HD11 ILE 15 HD11 ILE 15 7.298 27.562 1.122 137 HD12 ILE 15 HD12 ILE 15 8.359 28.759 1.866 138 HD13 ILE 15 HD13 ILE 15 6.811 29.256 1.184 139 H ALA 16 H ALA 16 6.512 29.880 -3.908 140 HA ALA 16 HA ALA 16 5.216 32.405 -4.006 141 HB1 ALA 16 HB1 ALA 16 5.439 32.092 -6.504 142 HB2 ALA 16 HB2 ALA 16 6.938 32.019 -5.578 143 HB3 ALA 16 HB3 ALA 16 6.183 30.532 -6.151 144 H TYR 17 H TYR 17 4.092 29.170 -4.230 145 HA TYR 17 HA TYR 17 1.619 29.935 -5.573 146 HB2 TYR 17 HB2 TYR 17 2.781 27.806 -6.163 147 HB3 TYR 17 HB3 TYR 17 2.458 27.221 -4.535 148 HD1 TYR 17 HD1 TYR 17 0.683 28.565 -7.531 149 HD2 TYR 17 HD2 TYR 17 0.522 26.009 -4.134 150 HE1 TYR 17 HE1 TYR 17 -1.505 27.724 -8.275 151 HE2 TYR 17 HE2 TYR 17 -1.666 25.160 -4.869 152 HH TYR 17 HH TYR 17 -3.181 26.334 -7.862 153 H SER 18 H SER 18 2.854 29.327 -2.410 154 HA SER 18 HA SER 18 0.316 28.806 -1.174 155 HB2 SER 18 HB2 SER 18 1.671 29.238 0.960 156 HB3 SER 18 HB3 SER 18 2.180 27.882 -0.046 157 HG SER 18 HG SER 18 3.672 29.845 0.758 158 H LEU 19 H LEU 19 2.467 31.603 -1.462 159 HA LEU 19 HA LEU 19 0.874 33.332 0.136 160 HB2 LEU 19 HB2 LEU 19 3.345 33.452 -1.274 161 HB3 LEU 19 HB3 LEU 19 2.363 34.837 -1.749 162 HG LEU 19 HG LEU 19 3.839 35.429 0.078 163 HD11 LEU 19 HD11 LEU 19 1.755 36.584 0.050 164 HD12 LEU 19 HD12 LEU 19 2.120 36.180 1.727 165 HD13 LEU 19 HD13 LEU 19 0.931 35.235 0.832 166 HD21 LEU 19 HD21 LEU 19 4.288 34.090 1.795 167 HD22 LEU 19 HD22 LEU 19 3.343 32.845 0.978 168 HD23 LEU 19 HD23 LEU 19 2.577 33.892 2.173 169 H LEU 20 H LEU 20 1.210 32.891 -3.372 170 HA LEU 20 HA LEU 20 -0.727 34.870 -4.039 171 HB2 LEU 20 HB2 LEU 20 0.856 32.833 -5.465 172 HB3 LEU 20 HB3 LEU 20 -0.667 33.290 -6.227 173 HG LEU 20 HG LEU 20 1.163 34.575 -7.155 174 HD11 LEU 20 HD11 LEU 20 -0.398 36.420 -5.370 175 HD12 LEU 20 HD12 LEU 20 -1.124 35.590 -6.746 176 HD13 LEU 20 HD13 LEU 20 0.207 36.719 -7.000 177 HD21 LEU 20 HD21 LEU 20 2.824 34.639 -5.532 178 HD22 LEU 20 HD22 LEU 20 1.718 35.199 -4.278 179 HD23 LEU 20 HD23 LEU 20 2.228 36.299 -5.560 180 H GLY 21 H GLY 21 -0.924 31.620 -2.981 181 HA2 GLY 21 HA2 GLY 21 -3.480 31.036 -4.169 182 HA3 GLY 21 HA3 GLY 21 -2.654 30.081 -2.947 183 H LEU 22 H LEU 22 -2.370 32.435 -1.171 184 HA LEU 22 HA LEU 22 -5.106 32.396 -0.111 185 HB2 LEU 22 HB2 LEU 22 -2.763 31.803 1.118 186 HB3 LEU 22 HB3 LEU 22 -2.942 33.504 1.544 187 HG LEU 22 HG LEU 22 -5.391 32.617 2.202 188 HD11 LEU 22 HD11 LEU 22 -4.270 30.398 3.511 189 HD12 LEU 22 HD12 LEU 22 -3.842 30.244 1.807 190 HD13 LEU 22 HD13 LEU 22 -5.533 30.407 2.279 191 HD21 LEU 22 HD21 LEU 22 -3.106 32.210 4.099 192 HD22 LEU 22 HD22 LEU 22 -4.724 32.831 4.426 193 HD23 LEU 22 HD23 LEU 22 -3.561 33.820 3.542 194 H LYS 23 H LYS 23 -2.605 34.494 -1.295 195 HA LYS 23 HA LYS 23 -3.826 36.920 -0.339 196 HB2 LYS 23 HB2 LYS 23 -1.576 36.376 -2.276 197 HB3 LYS 23 HB3 LYS 23 -2.132 37.999 -1.889 198 HG2 LYS 23 HG2 LYS 23 -1.082 36.019 0.122 199 HG3 LYS 23 HG3 LYS 23 -0.139 37.319 -0.610 200 HD2 LYS 23 HD2 LYS 23 -0.917 38.769 0.885 201 HD3 LYS 23 HD3 LYS 23 -2.580 38.388 0.433 202 HE2 LYS 23 HE2 LYS 23 -2.440 36.395 1.940 203 HE3 LYS 23 HE3 LYS 23 -0.872 36.988 2.485 204 HZ1 LYS 23 HZ1 LYS 23 -3.547 38.064 3.000 205 HZ2 LYS 23 HZ2 LYS 23 -2.254 39.151 2.916 206 HZ3 LYS 23 HZ3 LYS 23 -2.232 37.897 4.051 207 H ASP 24 H ASP 24 -4.336 34.820 -2.951 208 HA ASP 24 HA ASP 24 -5.694 36.916 -4.506 209 HB2 ASP 24 HB2 ASP 24 -3.896 35.312 -5.517 210 HB3 ASP 24 HB3 ASP 24 -5.210 34.139 -5.534 211 H GLN 25 H GLN 25 -6.148 33.937 -2.764 212 HA GLN 25 HA GLN 25 -8.962 33.817 -3.573 213 HB2 GLN 25 HB2 GLN 25 -7.129 31.820 -3.267 214 HB3 GLN 25 HB3 GLN 25 -7.944 31.779 -1.709 215 HG2 GLN 25 HG2 GLN 25 -9.852 31.974 -3.854 216 HG3 GLN 25 HG3 GLN 25 -8.775 30.598 -4.088 217 HE21 GLN 25 HE21 GLN 25 -11.674 31.249 -3.026 218 HE22 GLN 25 HE22 GLN 25 -11.821 30.148 -1.703 219 H VAL 26 H VAL 26 -7.746 35.813 -1.695 220 HA VAL 26 HA VAL 26 -8.334 35.357 0.960 221 HB VAL 26 HB VAL 26 -8.737 37.944 -0.547 222 HG11 VAL 26 HG11 VAL 26 -9.476 38.772 1.377 223 HG12 VAL 26 HG12 VAL 26 -9.203 37.231 2.193 224 HG13 VAL 26 HG13 VAL 26 -7.902 38.418 2.089 225 HG21 VAL 26 HG21 VAL 26 -6.484 37.015 -0.814 226 HG22 VAL 26 HG22 VAL 26 -6.469 38.489 0.154 227 HG23 VAL 26 HG23 VAL 26 -6.320 36.917 0.939 228 HN1 NH2 27 HN1 NH2 27 -10.508 36.833 -1.478 229 HN2 NH2 27 HN2 NH2 27 -11.984 36.434 -0.664 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -3.391 8.214 -1.887 2 H2 ACE 1 H2 ACE 1 -3.431 9.993 -1.935 3 H3 ACE 1 H3 ACE 1 -4.024 9.052 -3.324 4 H LYS 2 H LYS 2 -2.592 10.250 -4.614 5 HA LYS 2 HA LYS 2 0.089 9.079 -4.655 6 HB2 LYS 2 HB2 LYS 2 -1.786 9.610 -6.654 7 HB3 LYS 2 HB3 LYS 2 -0.541 10.831 -6.883 8 HG2 LYS 2 HG2 LYS 2 1.010 8.665 -6.580 9 HG3 LYS 2 HG3 LYS 2 -0.430 7.911 -7.268 10 HD2 LYS 2 HD2 LYS 2 -0.242 9.054 -9.259 11 HD3 LYS 2 HD3 LYS 2 0.657 10.387 -8.530 12 HE2 LYS 2 HE2 LYS 2 2.154 9.134 -9.921 13 HE3 LYS 2 HE3 LYS 2 2.585 8.843 -8.236 14 HZ1 LYS 2 HZ1 LYS 2 1.910 6.693 -8.337 15 HZ2 LYS 2 HZ2 LYS 2 2.342 6.889 -9.960 16 HZ3 LYS 2 HZ3 LYS 2 0.717 6.984 -9.501 17 H ARG 3 H ARG 3 -1.545 12.037 -4.013 18 HA ARG 3 HA ARG 3 0.947 13.571 -4.179 19 HB2 ARG 3 HB2 ARG 3 -1.638 14.842 -3.414 20 HB3 ARG 3 HB3 ARG 3 -0.313 15.485 -4.375 21 HG2 ARG 3 HG2 ARG 3 -1.804 15.193 -6.042 22 HG3 ARG 3 HG3 ARG 3 -1.129 13.563 -6.033 23 HD2 ARG 3 HD2 ARG 3 -3.003 12.646 -5.142 24 HD3 ARG 3 HD3 ARG 3 -3.376 14.077 -4.183 25 HE ARG 3 HE ARG 3 -4.671 14.853 -5.905 26 HH11 ARG 3 HH11 ARG 3 -3.438 12.167 -8.605 27 HH12 ARG 3 HH12 ARG 3 -2.652 12.265 -7.064 28 HH21 ARG 3 HH21 ARG 3 -5.179 13.572 -9.097 29 HH22 ARG 3 HH22 ARG 3 -5.714 14.734 -7.930 30 H ILE 4 H ILE 4 -0.326 11.621 -2.011 31 HA ILE 4 HA ILE 4 0.618 13.245 0.247 32 HB ILE 4 HB ILE 4 -1.770 11.422 0.478 33 HG12 ILE 4 HG12 ILE 4 -1.734 14.429 0.135 34 HG13 ILE 4 HG13 ILE 4 -2.321 13.265 -1.048 35 HG21 ILE 4 HG21 ILE 4 -0.185 12.238 2.436 36 HG22 ILE 4 HG22 ILE 4 -1.201 13.674 2.327 37 HG23 ILE 4 HG23 ILE 4 -1.931 12.101 2.649 38 HD11 ILE 4 HD11 ILE 4 -3.712 12.704 1.305 39 HD12 ILE 4 HD12 ILE 4 -3.688 14.463 1.165 40 HD13 ILE 4 HD13 ILE 4 -4.328 13.482 -0.153 41 H GLY 5 H GLY 5 2.566 12.111 0.268 42 HA2 GLY 5 HA2 GLY 5 2.438 9.556 1.625 43 HA3 GLY 5 HA3 GLY 5 3.140 9.488 0.015 44 H VAL 6 H VAL 6 5.272 9.645 -0.059 45 HA VAL 6 HA VAL 6 6.686 10.760 2.251 46 HB VAL 6 HB VAL 6 7.226 8.448 1.336 47 HG11 VAL 6 HG11 VAL 6 8.216 8.145 -0.688 48 HG12 VAL 6 HG12 VAL 6 7.248 9.568 -1.077 49 HG13 VAL 6 HG13 VAL 6 8.960 9.743 -0.689 50 HG21 VAL 6 HG21 VAL 6 9.654 10.192 1.294 51 HG22 VAL 6 HG22 VAL 6 8.700 10.040 2.769 52 HG23 VAL 6 HG23 VAL 6 9.426 8.609 2.037 53 H ARG 7 H ARG 7 5.385 12.339 0.047 54 HA ARG 7 HA ARG 7 7.781 13.808 -0.842 55 HB2 ARG 7 HB2 ARG 7 5.167 13.287 -2.234 56 HB3 ARG 7 HB3 ARG 7 6.175 14.658 -2.681 57 HG2 ARG 7 HG2 ARG 7 7.945 12.546 -2.663 58 HG3 ARG 7 HG3 ARG 7 6.465 11.845 -3.322 59 HD2 ARG 7 HD2 ARG 7 7.301 14.494 -4.358 60 HD3 ARG 7 HD3 ARG 7 8.264 13.098 -4.838 61 HE ARG 7 HE ARG 7 5.615 12.413 -5.255 62 HH11 ARG 7 HH11 ARG 7 7.124 14.924 -7.983 63 HH12 ARG 7 HH12 ARG 7 7.867 14.797 -6.423 64 HH21 ARG 7 HH21 ARG 7 5.281 13.659 -8.483 65 HH22 ARG 7 HH22 ARG 7 4.628 12.572 -7.305 66 H LEU 8 H LEU 8 6.581 14.247 1.662 67 HA LEU 8 HA LEU 8 4.648 16.218 1.815 68 HB2 LEU 8 HB2 LEU 8 6.926 15.391 3.530 69 HB3 LEU 8 HB3 LEU 8 6.145 16.929 3.892 70 HG LEU 8 HG LEU 8 3.966 15.637 4.009 71 HD11 LEU 8 HD11 LEU 8 5.843 13.284 4.166 72 HD12 LEU 8 HD12 LEU 8 4.771 13.641 2.812 73 HD13 LEU 8 HD13 LEU 8 4.094 13.256 4.394 74 HD21 LEU 8 HD21 LEU 8 4.219 15.500 6.244 75 HD22 LEU 8 HD22 LEU 8 5.768 16.274 5.910 76 HD23 LEU 8 HD23 LEU 8 5.684 14.525 6.127 77 HA PRO 9 HA PRO 9 6.370 19.984 0.365 78 HB2 PRO 9 HB2 PRO 9 5.466 21.788 2.181 79 HB3 PRO 9 HB3 PRO 9 4.414 21.014 0.990 80 HG2 PRO 9 HG2 PRO 9 4.826 20.337 3.877 81 HG3 PRO 9 HG3 PRO 9 3.316 20.415 2.950 82 HD2 PRO 9 HD2 PRO 9 4.562 18.077 3.510 83 HD3 PRO 9 HD3 PRO 9 3.632 18.330 2.020 84 H GLY 10 H GLY 10 8.176 21.247 0.540 85 HA2 GLY 10 HA2 GLY 10 9.749 20.911 3.015 86 HA3 GLY 10 HA3 GLY 10 10.440 21.140 1.415 87 H HIS 11 H HIS 11 11.331 23.068 1.181 88 HA HIS 11 HA HIS 11 10.304 25.315 2.756 89 HB2 HIS 11 HB2 HIS 11 12.940 24.535 1.722 90 HB3 HIS 11 HB3 HIS 11 12.569 26.244 1.519 91 HD1 HIS 11 HD1 HIS 11 12.235 23.736 4.374 92 HD2 HIS 11 HD2 HIS 11 13.430 27.648 3.648 93 HE1 HIS 11 HE1 HIS 11 12.983 24.635 6.601 94 H GLN 12 H GLN 12 10.501 24.114 -0.461 95 HA GLN 12 HA GLN 12 9.953 26.700 -1.671 96 HB2 GLN 12 HB2 GLN 12 10.985 24.172 -2.572 97 HB3 GLN 12 HB3 GLN 12 9.621 24.646 -3.576 98 HG2 GLN 12 HG2 GLN 12 10.773 26.267 -4.576 99 HG3 GLN 12 HG3 GLN 12 11.481 26.826 -3.061 100 HE21 GLN 12 HE21 GLN 12 13.464 26.058 -2.424 101 HE22 GLN 12 HE22 GLN 12 14.490 25.129 -3.457 102 H LYS 13 H LYS 13 8.275 23.813 -0.703 103 HA LYS 13 HA LYS 13 5.924 24.154 -2.226 104 HB2 LYS 13 HB2 LYS 13 6.717 22.581 0.163 105 HB3 LYS 13 HB3 LYS 13 4.994 22.846 -0.070 106 HG2 LYS 13 HG2 LYS 13 5.357 20.840 -1.152 107 HG3 LYS 13 HG3 LYS 13 5.424 22.007 -2.474 108 HD2 LYS 13 HD2 LYS 13 8.035 21.796 -1.411 109 HD3 LYS 13 HD3 LYS 13 7.418 20.154 -1.609 110 HE2 LYS 13 HE2 LYS 13 6.628 21.183 -3.943 111 HE3 LYS 13 HE3 LYS 13 8.017 22.226 -3.642 112 HZ1 LYS 13 HZ1 LYS 13 8.513 19.418 -3.191 113 HZ2 LYS 13 HZ2 LYS 13 9.444 20.563 -4.018 114 HZ3 LYS 13 HZ3 LYS 13 8.148 19.806 -4.798 115 H ARG 14 H ARG 14 6.866 25.286 0.990 116 HA ARG 14 HA ARG 14 4.413 26.363 1.781 117 HB2 ARG 14 HB2 ARG 14 6.717 26.078 3.041 118 HB3 ARG 14 HB3 ARG 14 6.956 27.742 2.524 119 HG2 ARG 14 HG2 ARG 14 4.376 27.656 3.595 120 HG3 ARG 14 HG3 ARG 14 5.385 26.712 4.692 121 HD2 ARG 14 HD2 ARG 14 5.350 29.046 5.364 122 HD3 ARG 14 HD3 ARG 14 6.966 28.580 4.833 123 HE ARG 14 HE ARG 14 5.505 29.692 2.682 124 HH11 ARG 14 HH11 ARG 14 7.526 32.175 5.085 125 HH12 ARG 14 HH12 ARG 14 7.143 30.573 5.624 126 HH21 ARG 14 HH21 ARG 14 6.876 32.870 3.002 127 HH22 ARG 14 HH22 ARG 14 6.003 31.798 1.961 128 H ILE 15 H ILE 15 6.681 27.443 -0.565 129 HA ILE 15 HA ILE 15 5.714 30.177 -0.585 130 HB ILE 15 HB ILE 15 7.615 28.772 -2.466 131 HG12 ILE 15 HG12 ILE 15 8.470 28.952 -0.166 132 HG13 ILE 15 HG13 ILE 15 9.368 29.993 -1.265 133 HG21 ILE 15 HG21 ILE 15 6.369 31.411 -2.513 134 HG22 ILE 15 HG22 ILE 15 8.127 31.457 -2.633 135 HG23 ILE 15 HG23 ILE 15 7.188 30.520 -3.795 136 HD11 ILE 15 HD11 ILE 15 8.935 31.108 0.842 137 HD12 ILE 15 HD12 ILE 15 8.089 31.917 -0.478 138 HD13 ILE 15 HD13 ILE 15 7.201 30.870 0.629 139 H ALA 16 H ALA 16 5.561 27.321 -2.685 140 HA ALA 16 HA ALA 16 4.020 28.533 -4.725 141 HB1 ALA 16 HB1 ALA 16 4.724 25.738 -3.984 142 HB2 ALA 16 HB2 ALA 16 3.418 26.005 -5.140 143 HB3 ALA 16 HB3 ALA 16 5.035 26.625 -5.477 144 H TYR 17 H TYR 17 3.219 27.281 -1.620 145 HA TYR 17 HA TYR 17 0.379 27.078 -2.272 146 HB2 TYR 17 HB2 TYR 17 1.486 25.321 -0.881 147 HB3 TYR 17 HB3 TYR 17 1.759 26.535 0.364 148 HD1 TYR 17 HD1 TYR 17 -1.107 25.334 -1.727 149 HD2 TYR 17 HD2 TYR 17 0.281 26.495 2.124 150 HE1 TYR 17 HE1 TYR 17 -3.332 24.864 -0.791 151 HE2 TYR 17 HE2 TYR 17 -1.940 26.027 3.071 152 HH TYR 17 HH TYR 17 -4.023 25.391 2.655 153 H SER 18 H SER 18 2.644 29.161 -0.683 154 HA SER 18 HA SER 18 0.665 30.660 0.772 155 HB2 SER 18 HB2 SER 18 2.864 30.587 1.719 156 HB3 SER 18 HB3 SER 18 3.597 31.136 0.213 157 HG SER 18 HG SER 18 2.352 32.579 2.208 158 H LEU 19 H LEU 19 2.095 30.762 -2.376 159 HA LEU 19 HA LEU 19 1.226 33.482 -2.897 160 HB2 LEU 19 HB2 LEU 19 2.929 31.492 -4.214 161 HB3 LEU 19 HB3 LEU 19 1.963 32.469 -5.318 162 HG LEU 19 HG LEU 19 3.491 33.921 -3.237 163 HD11 LEU 19 HD11 LEU 19 5.585 33.674 -4.191 164 HD12 LEU 19 HD12 LEU 19 4.938 33.004 -5.688 165 HD13 LEU 19 HD13 LEU 19 4.952 32.028 -4.220 166 HD21 LEU 19 HD21 LEU 19 1.988 34.810 -5.174 167 HD22 LEU 19 HD22 LEU 19 3.418 34.513 -6.163 168 HD23 LEU 19 HD23 LEU 19 3.508 35.620 -4.793 169 H LEU 20 H LEU 20 0.344 30.189 -3.817 170 HA LEU 20 HA LEU 20 -1.767 31.052 -5.571 171 HB2 LEU 20 HB2 LEU 20 -0.579 28.502 -4.720 172 HB3 LEU 20 HB3 LEU 20 -2.301 28.436 -5.089 173 HG LEU 20 HG LEU 20 -1.002 27.791 -7.025 174 HD11 LEU 20 HD11 LEU 20 -1.897 30.514 -7.791 175 HD12 LEU 20 HD12 LEU 20 -3.086 29.425 -7.078 176 HD13 LEU 20 HD13 LEU 20 -2.229 28.955 -8.546 177 HD21 LEU 20 HD21 LEU 20 0.603 29.195 -8.069 178 HD22 LEU 20 HD22 LEU 20 1.030 29.112 -6.360 179 HD23 LEU 20 HD23 LEU 20 0.219 30.543 -6.998 180 H GLY 21 H GLY 21 -1.473 31.063 -2.299 181 HA2 GLY 21 HA2 GLY 21 -4.292 30.362 -1.818 182 HA3 GLY 21 HA3 GLY 21 -3.048 30.483 -0.583 183 H LEU 22 H LEU 22 -2.101 33.036 -1.909 184 HA LEU 22 HA LEU 22 -4.163 34.777 -0.733 185 HB2 LEU 22 HB2 LEU 22 -1.509 34.559 -0.078 186 HB3 LEU 22 HB3 LEU 22 -1.519 35.944 -1.168 187 HG LEU 22 HG LEU 22 -3.332 35.765 1.226 188 HD11 LEU 22 HD11 LEU 22 -0.634 35.742 1.471 189 HD12 LEU 22 HD12 LEU 22 -1.737 36.476 2.634 190 HD13 LEU 22 HD13 LEU 22 -0.955 37.475 1.409 191 HD21 LEU 22 HD21 LEU 22 -4.148 37.645 0.378 192 HD22 LEU 22 HD22 LEU 22 -2.971 37.609 -0.935 193 HD23 LEU 22 HD23 LEU 22 -2.565 38.394 0.592 194 H LYS 23 H LYS 23 -2.305 34.081 -3.562 195 HA LYS 23 HA LYS 23 -3.214 36.539 -4.875 196 HB2 LYS 23 HB2 LYS 23 -0.778 35.536 -4.955 197 HB3 LYS 23 HB3 LYS 23 -1.462 34.522 -6.218 198 HG2 LYS 23 HG2 LYS 23 -0.989 36.162 -7.632 199 HG3 LYS 23 HG3 LYS 23 -2.303 37.073 -6.884 200 HD2 LYS 23 HD2 LYS 23 0.452 37.101 -5.703 201 HD3 LYS 23 HD3 LYS 23 0.037 38.162 -7.052 202 HE2 LYS 23 HE2 LYS 23 -1.918 38.955 -5.670 203 HE3 LYS 23 HE3 LYS 23 -1.217 38.071 -4.315 204 HZ1 LYS 23 HZ1 LYS 23 0.877 39.427 -4.858 205 HZ2 LYS 23 HZ2 LYS 23 -0.392 40.198 -4.049 206 HZ3 LYS 23 HZ3 LYS 23 -0.170 40.449 -5.708 207 H ASP 24 H ASP 24 -4.356 33.527 -4.356 208 HA ASP 24 HA ASP 24 -5.805 33.504 -6.920 209 HB2 ASP 24 HB2 ASP 24 -4.053 31.539 -6.056 210 HB3 ASP 24 HB3 ASP 24 -5.635 30.898 -5.618 211 H GLN 25 H GLN 25 -5.869 32.818 -3.469 212 HA GLN 25 HA GLN 25 -8.764 32.433 -3.549 213 HB2 GLN 25 HB2 GLN 25 -6.805 31.218 -2.061 214 HB3 GLN 25 HB3 GLN 25 -7.447 32.398 -0.926 215 HG2 GLN 25 HG2 GLN 25 -8.954 30.830 -0.448 216 HG3 GLN 25 HG3 GLN 25 -9.727 31.325 -1.953 217 HE21 GLN 25 HE21 GLN 25 -10.559 29.400 -2.562 218 HE22 GLN 25 HE22 GLN 25 -9.608 28.011 -2.950 219 H VAL 26 H VAL 26 -7.373 35.048 -3.988 220 HA VAL 26 HA VAL 26 -7.757 36.708 -1.732 221 HB VAL 26 HB VAL 26 -6.329 37.379 -3.603 222 HG11 VAL 26 HG11 VAL 26 -7.189 38.017 -5.732 223 HG12 VAL 26 HG12 VAL 26 -7.813 36.406 -5.373 224 HG13 VAL 26 HG13 VAL 26 -8.853 37.818 -5.185 225 HG21 VAL 26 HG21 VAL 26 -6.995 39.694 -3.723 226 HG22 VAL 26 HG22 VAL 26 -8.647 39.280 -3.265 227 HG23 VAL 26 HG23 VAL 26 -7.334 39.077 -2.106 228 HN1 NH2 27 HN1 NH2 27 -9.431 38.070 -1.136 229 HN2 NH2 27 HN2 NH2 27 -11.033 37.939 -1.781 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 9.976 3.274 -2.621 2 H2 ACE 1 H2 ACE 1 8.934 1.855 -2.358 3 H3 ACE 1 H3 ACE 1 9.343 2.364 -4.014 4 H LYS 2 H LYS 2 7.929 3.518 -5.029 5 HA LYS 2 HA LYS 2 6.171 4.884 -5.502 6 HB2 LYS 2 HB2 LYS 2 5.079 4.078 -2.807 7 HB3 LYS 2 HB3 LYS 2 4.173 4.581 -4.229 8 HG2 LYS 2 HG2 LYS 2 5.424 2.452 -5.252 9 HG3 LYS 2 HG3 LYS 2 5.355 1.961 -3.558 10 HD2 LYS 2 HD2 LYS 2 2.841 2.809 -3.841 11 HD3 LYS 2 HD3 LYS 2 3.165 2.362 -5.518 12 HE2 LYS 2 HE2 LYS 2 3.044 0.185 -5.051 13 HE3 LYS 2 HE3 LYS 2 4.112 0.351 -3.658 14 HZ1 LYS 2 HZ1 LYS 2 1.541 -0.309 -3.477 15 HZ2 LYS 2 HZ2 LYS 2 1.418 1.369 -3.306 16 HZ3 LYS 2 HZ3 LYS 2 2.388 0.480 -2.243 17 H ARG 3 H ARG 3 7.524 6.756 -5.338 18 HA ARG 3 HA ARG 3 7.102 8.336 -2.890 19 HB2 ARG 3 HB2 ARG 3 9.456 7.764 -4.300 20 HB3 ARG 3 HB3 ARG 3 9.082 9.438 -4.686 21 HG2 ARG 3 HG2 ARG 3 9.252 8.342 -1.889 22 HG3 ARG 3 HG3 ARG 3 10.573 9.159 -2.727 23 HD2 ARG 3 HD2 ARG 3 9.192 11.164 -2.948 24 HD3 ARG 3 HD3 ARG 3 7.867 10.346 -2.121 25 HE ARG 3 HE ARG 3 10.268 10.379 -0.572 26 HH11 ARG 3 HH11 ARG 3 7.518 13.246 -0.082 27 HH12 ARG 3 HH12 ARG 3 7.488 12.256 -1.503 28 HH21 ARG 3 HH21 ARG 3 9.128 12.917 1.513 29 HH22 ARG 3 HH22 ARG 3 10.317 11.676 1.304 30 H ILE 4 H ILE 4 5.432 7.970 -5.439 31 HA ILE 4 HA ILE 4 4.904 10.827 -5.805 32 HB ILE 4 HB ILE 4 4.993 8.925 -8.144 33 HG12 ILE 4 HG12 ILE 4 6.994 10.614 -8.683 34 HG13 ILE 4 HG13 ILE 4 7.091 10.652 -6.926 35 HG21 ILE 4 HG21 ILE 4 4.521 11.875 -7.850 36 HG22 ILE 4 HG22 ILE 4 5.009 11.154 -9.383 37 HG23 ILE 4 HG23 ILE 4 3.495 10.666 -8.621 38 HD11 ILE 4 HD11 ILE 4 8.228 8.783 -8.633 39 HD12 ILE 4 HD12 ILE 4 8.107 8.688 -6.876 40 HD13 ILE 4 HD13 ILE 4 6.865 7.948 -7.887 41 H GLY 5 H GLY 5 2.950 10.881 -4.832 42 HA2 GLY 5 HA2 GLY 5 0.697 9.822 -6.194 43 HA3 GLY 5 HA3 GLY 5 1.036 8.870 -4.756 44 H VAL 6 H VAL 6 0.091 9.501 -2.936 45 HA VAL 6 HA VAL 6 -1.009 12.229 -2.823 46 HB VAL 6 HB VAL 6 -2.583 10.236 -2.671 47 HG11 VAL 6 HG11 VAL 6 -0.811 9.244 -0.896 48 HG12 VAL 6 HG12 VAL 6 -1.980 9.982 0.201 49 HG13 VAL 6 HG13 VAL 6 -2.507 8.766 -0.963 50 HG21 VAL 6 HG21 VAL 6 -3.273 11.492 -0.223 51 HG22 VAL 6 HG22 VAL 6 -2.530 12.706 -1.265 52 HG23 VAL 6 HG23 VAL 6 -3.927 11.792 -1.833 53 H ARG 7 H ARG 7 1.748 11.280 -2.086 54 HA ARG 7 HA ARG 7 1.726 12.002 0.767 55 HB2 ARG 7 HB2 ARG 7 3.689 10.420 -0.884 56 HB3 ARG 7 HB3 ARG 7 4.092 11.045 0.709 57 HG2 ARG 7 HG2 ARG 7 1.948 9.808 1.467 58 HG3 ARG 7 HG3 ARG 7 2.136 8.920 -0.046 59 HD2 ARG 7 HD2 ARG 7 4.056 7.887 0.638 60 HD3 ARG 7 HD3 ARG 7 4.518 9.213 1.703 61 HE ARG 7 HE ARG 7 3.013 6.902 2.408 62 HH11 ARG 7 HH11 ARG 7 2.804 10.166 4.716 63 HH12 ARG 7 HH12 ARG 7 3.402 10.293 3.095 64 HH21 ARG 7 HH21 ARG 7 2.135 8.135 5.538 65 HH22 ARG 7 HH22 ARG 7 2.224 6.723 4.541 66 H LEU 8 H LEU 8 1.374 14.137 -0.765 67 HA LEU 8 HA LEU 8 3.774 15.340 -1.715 68 HB2 LEU 8 HB2 LEU 8 1.373 16.911 -0.876 69 HB3 LEU 8 HB3 LEU 8 2.490 17.209 -2.207 70 HG LEU 8 HG LEU 8 1.307 14.810 -2.891 71 HD11 LEU 8 HD11 LEU 8 -1.036 16.495 -2.283 72 HD12 LEU 8 HD12 LEU 8 -0.307 15.650 -0.918 73 HD13 LEU 8 HD13 LEU 8 -0.873 14.739 -2.317 74 HD21 LEU 8 HD21 LEU 8 0.548 17.618 -3.691 75 HD22 LEU 8 HD22 LEU 8 0.142 16.153 -4.585 76 HD23 LEU 8 HD23 LEU 8 1.829 16.636 -4.403 77 HA PRO 9 HA PRO 9 5.519 17.002 1.955 78 HB2 PRO 9 HB2 PRO 9 6.591 19.316 1.023 79 HB3 PRO 9 HB3 PRO 9 7.268 17.726 0.652 80 HG2 PRO 9 HG2 PRO 9 5.483 19.460 -1.011 81 HG3 PRO 9 HG3 PRO 9 6.908 18.526 -1.501 82 HD2 PRO 9 HD2 PRO 9 4.380 17.656 -1.927 83 HD3 PRO 9 HD3 PRO 9 5.730 16.548 -1.611 84 H GLY 10 H GLY 10 5.681 19.185 3.191 85 HA2 GLY 10 HA2 GLY 10 3.132 20.652 2.952 86 HA3 GLY 10 HA3 GLY 10 3.664 20.025 4.505 87 H HIS 11 H HIS 11 6.194 21.101 2.503 88 HA HIS 11 HA HIS 11 6.454 23.521 4.149 89 HB2 HIS 11 HB2 HIS 11 8.869 23.429 3.287 90 HB3 HIS 11 HB3 HIS 11 8.377 22.195 4.443 91 HD1 HIS 11 HD1 HIS 11 9.512 22.665 0.943 92 HD2 HIS 11 HD2 HIS 11 8.123 19.585 3.361 93 HE1 HIS 11 HE1 HIS 11 10.039 20.543 -0.300 94 H GLN 12 H GLN 12 6.965 22.385 0.813 95 HA GLN 12 HA GLN 12 7.339 24.968 -0.280 96 HB2 GLN 12 HB2 GLN 12 7.314 22.269 -1.224 97 HB3 GLN 12 HB3 GLN 12 6.295 23.242 -2.276 98 HG2 GLN 12 HG2 GLN 12 8.955 24.328 -1.555 99 HG3 GLN 12 HG3 GLN 12 8.897 22.966 -2.673 100 HE21 GLN 12 HE21 GLN 12 9.599 25.860 -2.986 101 HE22 GLN 12 HE22 GLN 12 8.634 26.402 -4.312 102 H LYS 13 H LYS 13 4.527 23.110 0.512 103 HA LYS 13 HA LYS 13 2.650 24.367 -1.169 104 HB2 LYS 13 HB2 LYS 13 2.568 22.676 1.250 105 HB3 LYS 13 HB3 LYS 13 1.161 23.702 1.004 106 HG2 LYS 13 HG2 LYS 13 1.206 22.736 -1.407 107 HG3 LYS 13 HG3 LYS 13 2.188 21.462 -0.679 108 HD2 LYS 13 HD2 LYS 13 0.275 20.478 -0.094 109 HD3 LYS 13 HD3 LYS 13 0.066 21.779 1.081 110 HE2 LYS 13 HE2 LYS 13 -1.840 22.217 -0.003 111 HE3 LYS 13 HE3 LYS 13 -0.812 22.933 -1.243 112 HZ1 LYS 13 HZ1 LYS 13 -2.447 20.619 -1.393 113 HZ2 LYS 13 HZ2 LYS 13 -0.845 20.232 -1.773 114 HZ3 LYS 13 HZ3 LYS 13 -1.650 21.445 -2.635 115 H ARG 14 H ARG 14 3.885 25.182 2.031 116 HA ARG 14 HA ARG 14 2.081 27.213 2.686 117 HB2 ARG 14 HB2 ARG 14 4.259 26.083 3.897 118 HB3 ARG 14 HB3 ARG 14 4.861 27.691 3.515 119 HG2 ARG 14 HG2 ARG 14 2.283 27.198 4.980 120 HG3 ARG 14 HG3 ARG 14 3.836 27.432 5.784 121 HD2 ARG 14 HD2 ARG 14 2.400 29.383 3.991 122 HD3 ARG 14 HD3 ARG 14 2.655 29.527 5.729 123 HE ARG 14 HE ARG 14 4.546 30.118 3.639 124 HH11 ARG 14 HH11 ARG 14 5.640 29.997 7.488 125 HH12 ARG 14 HH12 ARG 14 4.125 29.313 7.000 126 HH21 ARG 14 HH21 ARG 14 7.015 30.970 5.934 127 HH22 ARG 14 HH22 ARG 14 6.543 31.022 4.269 128 H ILE 15 H ILE 15 4.621 27.134 0.370 129 HA ILE 15 HA ILE 15 4.853 30.019 0.184 130 HB ILE 15 HB ILE 15 6.049 27.853 -1.549 131 HG12 ILE 15 HG12 ILE 15 7.777 29.502 0.173 132 HG13 ILE 15 HG13 ILE 15 6.678 28.439 1.046 133 HG21 ILE 15 HG21 ILE 15 7.630 29.999 -1.922 134 HG22 ILE 15 HG22 ILE 15 6.274 29.589 -2.972 135 HG23 ILE 15 HG23 ILE 15 6.072 30.796 -1.703 136 HD11 ILE 15 HD11 ILE 15 7.949 26.682 0.617 137 HD12 ILE 15 HD12 ILE 15 7.948 27.030 -1.112 138 HD13 ILE 15 HD13 ILE 15 9.145 27.787 -0.061 139 H ALA 16 H ALA 16 3.568 27.350 -1.766 140 HA ALA 16 HA ALA 16 2.692 28.956 -3.927 141 HB1 ALA 16 HB1 ALA 16 2.049 27.020 -4.862 142 HB2 ALA 16 HB2 ALA 16 2.924 26.285 -3.519 143 HB3 ALA 16 HB3 ALA 16 1.176 26.495 -3.422 144 H TYR 17 H TYR 17 1.408 28.340 -0.795 145 HA TYR 17 HA TYR 17 -1.258 29.271 -1.546 146 HB2 TYR 17 HB2 TYR 17 -1.001 27.302 -0.036 147 HB3 TYR 17 HB3 TYR 17 -0.257 28.359 1.158 148 HD1 TYR 17 HD1 TYR 17 -3.358 28.250 -0.935 149 HD2 TYR 17 HD2 TYR 17 -1.619 29.131 2.846 150 HE1 TYR 17 HE1 TYR 17 -5.584 28.801 -0.047 151 HE2 TYR 17 HE2 TYR 17 -3.840 29.684 3.746 152 HH TYR 17 HH TYR 17 -6.209 29.156 3.255 153 H SER 18 H SER 18 1.638 30.336 0.027 154 HA SER 18 HA SER 18 0.428 32.593 1.339 155 HB2 SER 18 HB2 SER 18 3.243 31.626 0.948 156 HB3 SER 18 HB3 SER 18 2.947 33.262 1.536 157 HG SER 18 HG SER 18 2.649 32.393 3.413 158 H LEU 19 H LEU 19 1.813 31.924 -1.761 159 HA LEU 19 HA LEU 19 2.142 34.725 -2.441 160 HB2 LEU 19 HB2 LEU 19 3.155 32.261 -3.398 161 HB3 LEU 19 HB3 LEU 19 2.275 33.020 -4.724 162 HG LEU 19 HG LEU 19 3.673 35.016 -4.510 163 HD11 LEU 19 HD11 LEU 19 4.338 33.840 -1.995 164 HD12 LEU 19 HD12 LEU 19 4.744 35.438 -2.618 165 HD13 LEU 19 HD13 LEU 19 5.810 34.070 -2.939 166 HD21 LEU 19 HD21 LEU 19 5.331 34.153 -5.775 167 HD22 LEU 19 HD22 LEU 19 4.336 32.699 -5.699 168 HD23 LEU 19 HD23 LEU 19 5.711 32.885 -4.609 169 H LEU 20 H LEU 20 0.077 32.008 -3.424 170 HA LEU 20 HA LEU 20 -1.487 33.523 -5.245 171 HB2 LEU 20 HB2 LEU 20 -1.516 30.824 -4.105 172 HB3 LEU 20 HB3 LEU 20 -3.111 31.461 -4.501 173 HG LEU 20 HG LEU 20 -2.266 30.132 -6.333 174 HD11 LEU 20 HD11 LEU 20 -2.008 32.990 -7.207 175 HD12 LEU 20 HD12 LEU 20 -3.553 32.310 -6.698 176 HD13 LEU 20 HD13 LEU 20 -2.699 31.622 -8.080 177 HD21 LEU 20 HD21 LEU 20 0.206 31.370 -5.659 178 HD22 LEU 20 HD22 LEU 20 -0.166 31.738 -7.343 179 HD23 LEU 20 HD23 LEU 20 -0.100 30.061 -6.800 180 H GLY 21 H GLY 21 -1.511 33.168 -1.821 181 HA2 GLY 21 HA2 GLY 21 -4.254 33.878 -1.405 182 HA3 GLY 21 HA3 GLY 21 -2.988 33.855 -0.187 183 H LEU 22 H LEU 22 -1.222 35.669 -1.543 184 HA LEU 22 HA LEU 22 -2.610 38.154 -0.893 185 HB2 LEU 22 HB2 LEU 22 -0.146 37.257 -0.223 186 HB3 LEU 22 HB3 LEU 22 0.237 38.231 -1.640 187 HG LEU 22 HG LEU 22 0.545 39.560 0.335 188 HD11 LEU 22 HD11 LEU 22 -2.002 40.340 -1.078 189 HD12 LEU 22 HD12 LEU 22 -0.363 40.693 -1.624 190 HD13 LEU 22 HD13 LEU 22 -0.970 41.414 -0.134 191 HD21 LEU 22 HD21 LEU 22 -0.815 38.401 1.920 192 HD22 LEU 22 HD22 LEU 22 -2.282 38.760 1.008 193 HD23 LEU 22 HD23 LEU 22 -1.404 40.061 1.815 194 H LYS 23 H LYS 23 -1.196 36.463 -3.585 195 HA LYS 23 HA LYS 23 -1.183 38.743 -5.341 196 HB2 LYS 23 HB2 LYS 23 -0.801 35.787 -5.815 197 HB3 LYS 23 HB3 LYS 23 -0.744 36.980 -7.105 198 HG2 LYS 23 HG2 LYS 23 0.994 37.411 -4.739 199 HG3 LYS 23 HG3 LYS 23 1.436 36.137 -5.878 200 HD2 LYS 23 HD2 LYS 23 2.453 37.772 -7.025 201 HD3 LYS 23 HD3 LYS 23 0.827 38.222 -7.545 202 HE2 LYS 23 HE2 LYS 23 0.655 39.831 -5.757 203 HE3 LYS 23 HE3 LYS 23 2.203 39.313 -5.093 204 HZ1 LYS 23 HZ1 LYS 23 2.420 40.075 -7.834 205 HZ2 LYS 23 HZ2 LYS 23 3.290 40.628 -6.493 206 HZ3 LYS 23 HZ3 LYS 23 1.805 41.336 -6.888 207 H ASP 24 H ASP 24 -3.524 36.548 -4.243 208 HA ASP 24 HA ASP 24 -5.188 36.420 -6.538 209 HB2 ASP 24 HB2 ASP 24 -5.586 34.759 -4.922 210 HB3 ASP 24 HB3 ASP 24 -5.641 35.928 -3.605 211 H GLN 25 H GLN 25 -4.886 38.682 -3.877 212 HA GLN 25 HA GLN 25 -7.292 40.113 -4.479 213 HB2 GLN 25 HB2 GLN 25 -5.109 40.301 -2.529 214 HB3 GLN 25 HB3 GLN 25 -5.749 41.861 -3.031 215 HG2 GLN 25 HG2 GLN 25 -7.188 41.497 -1.349 216 HG3 GLN 25 HG3 GLN 25 -8.047 40.564 -2.573 217 HE21 GLN 25 HE21 GLN 25 -5.236 39.996 -0.478 218 HE22 GLN 25 HE22 GLN 25 -5.795 38.487 0.149 219 H VAL 26 H VAL 26 -4.271 39.963 -5.931 220 HA VAL 26 HA VAL 26 -4.430 42.697 -6.982 221 HB VAL 26 HB VAL 26 -2.213 40.683 -7.369 222 HG11 VAL 26 HG11 VAL 26 -1.285 42.160 -8.744 223 HG12 VAL 26 HG12 VAL 26 -2.773 43.105 -8.665 224 HG13 VAL 26 HG13 VAL 26 -1.451 43.445 -7.548 225 HG21 VAL 26 HG21 VAL 26 -0.994 42.049 -5.681 226 HG22 VAL 26 HG22 VAL 26 -2.503 42.895 -5.340 227 HG23 VAL 26 HG23 VAL 26 -2.371 41.165 -5.023 228 HN1 NH2 27 HN1 NH2 27 -6.074 42.555 -8.495 229 HN2 NH2 27 HN2 NH2 27 -5.958 41.597 -9.933 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 5.080 15.032 -4.197 2 H2 ACE 1 H2 ACE 1 5.212 16.617 -4.997 3 H3 ACE 1 H3 ACE 1 3.609 15.922 -4.658 4 H LYS 2 H LYS 2 5.112 13.293 -5.381 5 HA LYS 2 HA LYS 2 4.290 13.357 -8.170 6 HB2 LYS 2 HB2 LYS 2 7.103 12.786 -7.262 7 HB3 LYS 2 HB3 LYS 2 6.476 12.143 -8.773 8 HG2 LYS 2 HG2 LYS 2 6.133 14.339 -9.647 9 HG3 LYS 2 HG3 LYS 2 6.514 15.073 -8.088 10 HD2 LYS 2 HD2 LYS 2 8.756 13.624 -8.511 11 HD3 LYS 2 HD3 LYS 2 8.304 14.006 -10.174 12 HE2 LYS 2 HE2 LYS 2 7.987 16.357 -8.617 13 HE3 LYS 2 HE3 LYS 2 9.566 15.669 -8.240 14 HZ1 LYS 2 HZ1 LYS 2 8.797 17.106 -10.518 15 HZ2 LYS 2 HZ2 LYS 2 9.202 15.539 -11.007 16 HZ3 LYS 2 HZ3 LYS 2 10.320 16.470 -10.144 17 H ARG 3 H ARG 3 2.656 12.057 -6.936 18 HA ARG 3 HA ARG 3 1.671 10.057 -6.484 19 HB2 ARG 3 HB2 ARG 3 2.794 9.587 -8.757 20 HB3 ARG 3 HB3 ARG 3 3.990 8.693 -7.828 21 HG2 ARG 3 HG2 ARG 3 1.414 7.849 -6.989 22 HG3 ARG 3 HG3 ARG 3 1.461 7.826 -8.753 23 HD2 ARG 3 HD2 ARG 3 3.864 6.726 -8.161 24 HD3 ARG 3 HD3 ARG 3 2.900 6.169 -6.794 25 HE ARG 3 HE ARG 3 2.728 5.264 -9.492 26 HH11 ARG 3 HH11 ARG 3 -0.320 4.612 -6.980 27 HH12 ARG 3 HH12 ARG 3 0.874 5.807 -6.596 28 HH21 ARG 3 HH21 ARG 3 -0.154 3.405 -8.920 29 HH22 ARG 3 HH22 ARG 3 1.163 3.687 -10.008 30 H ILE 4 H ILE 4 3.997 11.182 -4.828 31 HA ILE 4 HA ILE 4 4.557 8.718 -3.309 32 HB ILE 4 HB ILE 4 6.220 11.239 -3.392 33 HG12 ILE 4 HG12 ILE 4 7.504 8.792 -4.280 34 HG13 ILE 4 HG13 ILE 4 6.086 9.161 -5.256 35 HG21 ILE 4 HG21 ILE 4 7.864 9.564 -2.252 36 HG22 ILE 4 HG22 ILE 4 6.632 10.385 -1.295 37 HG23 ILE 4 HG23 ILE 4 6.383 8.716 -1.808 38 HD11 ILE 4 HD11 ILE 4 7.077 11.511 -5.454 39 HD12 ILE 4 HD12 ILE 4 8.571 10.778 -4.868 40 HD13 ILE 4 HD13 ILE 4 7.836 10.206 -6.366 41 H GLY 5 H GLY 5 3.285 11.933 -3.238 42 HA2 GLY 5 HA2 GLY 5 1.679 11.751 -1.087 43 HA3 GLY 5 HA3 GLY 5 3.235 12.092 -0.344 44 H VAL 6 H VAL 6 0.457 13.464 -1.483 45 HA VAL 6 HA VAL 6 1.783 16.039 -2.026 46 HB VAL 6 HB VAL 6 -1.009 15.220 -2.834 47 HG11 VAL 6 HG11 VAL 6 0.673 17.631 -3.504 48 HG12 VAL 6 HG12 VAL 6 -0.860 17.230 -4.281 49 HG13 VAL 6 HG13 VAL 6 -0.815 17.603 -2.557 50 HG21 VAL 6 HG21 VAL 6 0.091 13.967 -4.348 51 HG22 VAL 6 HG22 VAL 6 0.341 15.514 -5.159 52 HG23 VAL 6 HG23 VAL 6 1.606 14.843 -4.129 53 H ARG 7 H ARG 7 -0.372 14.334 0.040 54 HA ARG 7 HA ARG 7 -1.377 16.796 1.257 55 HB2 ARG 7 HB2 ARG 7 -2.858 15.324 2.544 56 HB3 ARG 7 HB3 ARG 7 -3.006 15.031 0.816 57 HG2 ARG 7 HG2 ARG 7 -1.517 13.075 1.057 58 HG3 ARG 7 HG3 ARG 7 -1.493 13.348 2.800 59 HD2 ARG 7 HD2 ARG 7 -3.160 11.773 2.610 60 HD3 ARG 7 HD3 ARG 7 -4.089 13.271 2.561 61 HE ARG 7 HE ARG 7 -4.703 12.766 0.420 62 HH11 ARG 7 HH11 ARG 7 -1.953 9.920 -0.185 63 HH12 ARG 7 HH12 ARG 7 -1.914 10.862 1.269 64 HH21 ARG 7 HH21 ARG 7 -3.574 10.303 -1.758 65 HH22 ARG 7 HH22 ARG 7 -4.764 11.532 -1.497 66 H LEU 8 H LEU 8 1.434 15.933 1.477 67 HA LEU 8 HA LEU 8 1.621 15.362 4.352 68 HB2 LEU 8 HB2 LEU 8 3.402 14.908 2.021 69 HB3 LEU 8 HB3 LEU 8 4.160 15.213 3.582 70 HG LEU 8 HG LEU 8 2.238 13.252 4.084 71 HD11 LEU 8 HD11 LEU 8 3.766 12.609 1.566 72 HD12 LEU 8 HD12 LEU 8 2.028 12.887 1.673 73 HD13 LEU 8 HD13 LEU 8 2.750 11.497 2.483 74 HD21 LEU 8 HD21 LEU 8 5.208 12.991 3.625 75 HD22 LEU 8 HD22 LEU 8 4.190 11.832 4.479 76 HD23 LEU 8 HD23 LEU 8 4.427 13.451 5.138 77 HA PRO 9 HA PRO 9 3.055 19.377 5.387 78 HB2 PRO 9 HB2 PRO 9 5.026 18.859 7.181 79 HB3 PRO 9 HB3 PRO 9 3.311 18.630 7.545 80 HG2 PRO 9 HG2 PRO 9 5.362 16.604 6.740 81 HG3 PRO 9 HG3 PRO 9 4.108 16.491 7.988 82 HD2 PRO 9 HD2 PRO 9 3.838 15.357 5.544 83 HD3 PRO 9 HD3 PRO 9 2.456 15.991 6.460 84 H GLY 10 H GLY 10 5.156 20.703 5.682 85 HA2 GLY 10 HA2 GLY 10 7.632 20.229 4.804 86 HA3 GLY 10 HA3 GLY 10 6.749 20.270 3.285 87 H HIS 11 H HIS 11 8.471 22.089 5.468 88 HA HIS 11 HA HIS 11 7.221 24.546 5.596 89 HB2 HIS 11 HB2 HIS 11 9.570 25.498 5.669 90 HB3 HIS 11 HB3 HIS 11 9.225 24.228 6.839 91 HD1 HIS 11 HD1 HIS 11 10.373 21.921 6.455 92 HD2 HIS 11 HD2 HIS 11 11.515 24.887 3.778 93 HE1 HIS 11 HE1 HIS 11 12.432 21.039 5.311 94 H GLN 12 H GLN 12 9.386 23.344 3.043 95 HA GLN 12 HA GLN 12 9.412 25.606 1.432 96 HB2 GLN 12 HB2 GLN 12 9.866 22.705 0.998 97 HB3 GLN 12 HB3 GLN 12 9.581 23.684 -0.435 98 HG2 GLN 12 HG2 GLN 12 11.573 24.641 1.548 99 HG3 GLN 12 HG3 GLN 12 12.002 23.279 0.514 100 HE21 GLN 12 HE21 GLN 12 10.980 23.827 -1.856 101 HE22 GLN 12 HE22 GLN 12 11.595 25.310 -2.494 102 H LYS 13 H LYS 13 6.919 23.256 1.934 103 HA LYS 13 HA LYS 13 5.426 23.856 -0.434 104 HB2 LYS 13 HB2 LYS 13 5.308 21.939 1.639 105 HB3 LYS 13 HB3 LYS 13 3.776 22.802 1.671 106 HG2 LYS 13 HG2 LYS 13 4.284 22.275 -1.028 107 HG3 LYS 13 HG3 LYS 13 4.703 20.796 -0.159 108 HD2 LYS 13 HD2 LYS 13 2.415 20.590 -0.678 109 HD3 LYS 13 HD3 LYS 13 2.468 21.041 1.028 110 HE2 LYS 13 HE2 LYS 13 1.890 23.295 0.530 111 HE3 LYS 13 HE3 LYS 13 2.113 23.036 -1.199 112 HZ1 LYS 13 HZ1 LYS 13 -0.251 22.926 0.054 113 HZ2 LYS 13 HZ2 LYS 13 0.177 21.290 0.051 114 HZ3 LYS 13 HZ3 LYS 13 0.084 22.143 -1.407 115 H ARG 14 H ARG 14 5.444 25.006 2.885 116 HA ARG 14 HA ARG 14 3.023 26.397 2.901 117 HB2 ARG 14 HB2 ARG 14 4.249 26.042 4.946 118 HB3 ARG 14 HB3 ARG 14 5.616 26.967 4.340 119 HG2 ARG 14 HG2 ARG 14 3.121 28.470 4.339 120 HG3 ARG 14 HG3 ARG 14 3.617 27.924 5.942 121 HD2 ARG 14 HD2 ARG 14 5.470 29.236 5.964 122 HD3 ARG 14 HD3 ARG 14 5.718 29.099 4.224 123 HE ARG 14 HE ARG 14 4.561 31.044 3.969 124 HH11 ARG 14 HH11 ARG 14 2.740 30.995 7.534 125 HH12 ARG 14 HH12 ARG 14 3.717 29.650 7.046 126 HH21 ARG 14 HH21 ARG 14 2.491 32.798 6.143 127 HH22 ARG 14 HH22 ARG 14 3.278 32.821 4.601 128 H ILE 15 H ILE 15 5.988 27.078 1.293 129 HA ILE 15 HA ILE 15 5.394 29.891 0.906 130 HB ILE 15 HB ILE 15 7.594 28.186 -0.268 131 HG12 ILE 15 HG12 ILE 15 8.751 30.009 1.429 132 HG13 ILE 15 HG13 ILE 15 7.262 29.611 2.279 133 HG21 ILE 15 HG21 ILE 15 6.807 31.012 -0.644 134 HG22 ILE 15 HG22 ILE 15 8.529 30.680 -0.466 135 HG23 ILE 15 HG23 ILE 15 7.610 29.899 -1.752 136 HD11 ILE 15 HD11 ILE 15 9.643 27.963 1.747 137 HD12 ILE 15 HD12 ILE 15 8.550 27.976 3.131 138 HD13 ILE 15 HD13 ILE 15 8.084 27.145 1.647 139 H ALA 16 H ALA 16 5.504 26.928 -1.035 140 HA ALA 16 HA ALA 16 4.805 28.156 -3.490 141 HB1 ALA 16 HB1 ALA 16 5.124 25.421 -2.482 142 HB2 ALA 16 HB2 ALA 16 3.964 25.592 -3.799 143 HB3 ALA 16 HB3 ALA 16 5.628 26.135 -4.014 144 H TYR 17 H TYR 17 2.977 27.231 -0.728 145 HA TYR 17 HA TYR 17 0.453 27.289 -2.202 146 HB2 TYR 17 HB2 TYR 17 0.826 25.504 -0.523 147 HB3 TYR 17 HB3 TYR 17 0.959 26.733 0.729 148 HD1 TYR 17 HD1 TYR 17 -1.347 25.093 -1.634 149 HD2 TYR 17 HD2 TYR 17 -0.987 27.782 1.644 150 HE1 TYR 17 HE1 TYR 17 -3.784 25.016 -1.310 151 HE2 TYR 17 HE2 TYR 17 -3.423 27.711 1.977 152 HH TYR 17 HH TYR 17 -5.471 25.535 0.111 153 H SER 18 H SER 18 2.377 29.191 -0.028 154 HA SER 18 HA SER 18 0.272 30.985 0.736 155 HB2 SER 18 HB2 SER 18 3.246 30.914 1.109 156 HB3 SER 18 HB3 SER 18 2.367 32.409 1.428 157 HG SER 18 HG SER 18 2.617 30.972 3.268 158 H LEU 19 H LEU 19 2.537 30.758 -1.877 159 HA LEU 19 HA LEU 19 2.170 33.510 -2.708 160 HB2 LEU 19 HB2 LEU 19 3.974 31.339 -3.323 161 HB3 LEU 19 HB3 LEU 19 3.361 32.093 -4.793 162 HG LEU 19 HG LEU 19 5.527 33.018 -4.023 163 HD11 LEU 19 HD11 LEU 19 4.993 35.253 -4.496 164 HD12 LEU 19 HD12 LEU 19 3.379 35.104 -3.803 165 HD13 LEU 19 HD13 LEU 19 3.761 34.304 -5.327 166 HD21 LEU 19 HD21 LEU 19 4.452 32.876 -1.519 167 HD22 LEU 19 HD22 LEU 19 4.308 34.596 -1.881 168 HD23 LEU 19 HD23 LEU 19 5.884 33.808 -1.958 169 H LEU 20 H LEU 20 1.307 30.280 -3.911 170 HA LEU 20 HA LEU 20 -0.158 31.242 -6.150 171 HB2 LEU 20 HB2 LEU 20 0.370 28.658 -4.866 172 HB3 LEU 20 HB3 LEU 20 -1.191 28.767 -5.677 173 HG LEU 20 HG LEU 20 0.452 27.790 -7.156 174 HD11 LEU 20 HD11 LEU 20 -1.307 29.518 -7.932 175 HD12 LEU 20 HD12 LEU 20 -0.026 29.040 -9.045 176 HD13 LEU 20 HD13 LEU 20 0.083 30.575 -8.184 177 HD21 LEU 20 HD21 LEU 20 2.038 30.296 -7.299 178 HD22 LEU 20 HD22 LEU 20 2.528 28.626 -7.586 179 HD23 LEU 20 HD23 LEU 20 2.323 29.214 -5.936 180 H GLY 21 H GLY 21 -0.882 30.874 -2.808 181 HA2 GLY 21 HA2 GLY 21 -3.729 30.674 -3.083 182 HA3 GLY 21 HA3 GLY 21 -2.847 31.030 -1.605 183 H LEU 22 H LEU 22 -1.446 33.317 -2.746 184 HA LEU 22 HA LEU 22 -3.645 35.239 -2.553 185 HB2 LEU 22 HB2 LEU 22 -1.264 35.151 -1.265 186 HB3 LEU 22 HB3 LEU 22 -0.869 36.215 -2.613 187 HG LEU 22 HG LEU 22 -3.271 36.773 -0.918 188 HD11 LEU 22 HD11 LEU 22 -0.633 37.981 -0.236 189 HD12 LEU 22 HD12 LEU 22 -1.059 36.402 0.422 190 HD13 LEU 22 HD13 LEU 22 -2.080 37.800 0.755 191 HD21 LEU 22 HD21 LEU 22 -1.381 38.420 -2.587 192 HD22 LEU 22 HD22 LEU 22 -2.615 39.113 -1.535 193 HD23 LEU 22 HD23 LEU 22 -3.086 38.090 -2.893 194 H LYS 23 H LYS 23 -1.161 34.110 -4.714 195 HA LYS 23 HA LYS 23 -1.377 36.295 -6.561 196 HB2 LYS 23 HB2 LYS 23 -0.100 33.568 -6.726 197 HB3 LYS 23 HB3 LYS 23 -0.100 34.693 -8.078 198 HG2 LYS 23 HG2 LYS 23 0.863 35.743 -5.491 199 HG3 LYS 23 HG3 LYS 23 1.880 34.544 -6.294 200 HD2 LYS 23 HD2 LYS 23 2.390 35.934 -8.017 201 HD3 LYS 23 HD3 LYS 23 0.815 36.730 -7.982 202 HE2 LYS 23 HE2 LYS 23 2.441 37.208 -5.598 203 HE3 LYS 23 HE3 LYS 23 3.166 37.812 -7.087 204 HZ1 LYS 23 HZ1 LYS 23 0.345 38.399 -6.716 205 HZ2 LYS 23 HZ2 LYS 23 1.584 39.375 -7.328 206 HZ3 LYS 23 HZ3 LYS 23 1.403 39.186 -5.656 207 H ASP 24 H ASP 24 -3.198 33.488 -5.924 208 HA ASP 24 HA ASP 24 -4.418 33.530 -8.594 209 HB2 ASP 24 HB2 ASP 24 -3.580 31.363 -7.462 210 HB3 ASP 24 HB3 ASP 24 -5.018 31.503 -6.454 211 H GLN 25 H GLN 25 -5.010 34.241 -5.257 212 HA GLN 25 HA GLN 25 -7.865 34.656 -5.777 213 HB2 GLN 25 HB2 GLN 25 -6.646 33.488 -3.647 214 HB3 GLN 25 HB3 GLN 25 -6.819 35.138 -3.062 215 HG2 GLN 25 HG2 GLN 25 -9.286 34.545 -4.177 216 HG3 GLN 25 HG3 GLN 25 -8.803 33.061 -3.357 217 HE21 GLN 25 HE21 GLN 25 -7.505 33.871 -1.183 218 HE22 GLN 25 HE22 GLN 25 -8.520 34.826 -0.163 219 H VAL 26 H VAL 26 -5.608 36.403 -6.695 220 HA VAL 26 HA VAL 26 -5.477 38.772 -5.218 221 HB VAL 26 HB VAL 26 -4.949 39.858 -7.453 222 HG11 VAL 26 HG11 VAL 26 -2.776 39.107 -7.374 223 HG12 VAL 26 HG12 VAL 26 -3.365 38.602 -5.789 224 HG13 VAL 26 HG13 VAL 26 -3.251 37.431 -7.103 225 HG21 VAL 26 HG21 VAL 26 -4.868 37.068 -8.539 226 HG22 VAL 26 HG22 VAL 26 -6.329 38.046 -8.672 227 HG23 VAL 26 HG23 VAL 26 -4.826 38.603 -9.407 228 HN1 NH2 27 HN1 NH2 27 -7.954 37.516 -7.331 229 HN2 NH2 27 HN2 NH2 27 -9.024 38.875 -7.246 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 12.303 1.638 -5.007 2 H2 ACE 1 H2 ACE 1 11.869 2.572 -6.458 3 H3 ACE 1 H3 ACE 1 13.106 3.192 -5.338 4 H LYS 2 H LYS 2 11.573 5.047 -5.592 5 HA LYS 2 HA LYS 2 9.439 4.853 -3.568 6 HB2 LYS 2 HB2 LYS 2 11.679 6.250 -3.174 7 HB3 LYS 2 HB3 LYS 2 10.779 7.463 -4.075 8 HG2 LYS 2 HG2 LYS 2 9.543 7.971 -2.306 9 HG3 LYS 2 HG3 LYS 2 9.145 6.276 -2.015 10 HD2 LYS 2 HD2 LYS 2 10.273 6.882 -0.078 11 HD3 LYS 2 HD3 LYS 2 11.539 6.125 -1.047 12 HE2 LYS 2 HE2 LYS 2 12.724 8.009 -1.100 13 HE3 LYS 2 HE3 LYS 2 11.327 8.943 -1.632 14 HZ1 LYS 2 HZ1 LYS 2 10.858 8.420 1.015 15 HZ2 LYS 2 HZ2 LYS 2 11.378 9.889 0.360 16 HZ3 LYS 2 HZ3 LYS 2 12.509 8.781 0.956 17 H ARG 3 H ARG 3 8.770 4.318 -6.135 18 HA ARG 3 HA ARG 3 7.695 6.795 -7.270 19 HB2 ARG 3 HB2 ARG 3 8.795 4.489 -8.422 20 HB3 ARG 3 HB3 ARG 3 7.075 4.406 -8.776 21 HG2 ARG 3 HG2 ARG 3 8.818 6.787 -9.366 22 HG3 ARG 3 HG3 ARG 3 8.409 5.528 -10.532 23 HD2 ARG 3 HD2 ARG 3 6.041 6.057 -10.286 24 HD3 ARG 3 HD3 ARG 3 6.433 7.292 -9.090 25 HE ARG 3 HE ARG 3 7.859 7.915 -11.382 26 HH11 ARG 3 HH11 ARG 3 3.956 8.788 -11.558 27 HH12 ARG 3 HH12 ARG 3 4.527 7.611 -10.421 28 HH21 ARG 3 HH21 ARG 3 5.432 9.842 -12.957 29 HH22 ARG 3 HH22 ARG 3 7.120 9.466 -12.882 30 H ILE 4 H ILE 4 6.699 5.173 -4.863 31 HA ILE 4 HA ILE 4 3.882 5.250 -5.657 32 HB ILE 4 HB ILE 4 5.001 2.974 -4.024 33 HG12 ILE 4 HG12 ILE 4 4.189 1.751 -6.258 34 HG13 ILE 4 HG13 ILE 4 4.637 3.301 -6.961 35 HG21 ILE 4 HG21 ILE 4 2.293 3.718 -5.045 36 HG22 ILE 4 HG22 ILE 4 2.702 2.024 -4.777 37 HG23 ILE 4 HG23 ILE 4 2.775 3.171 -3.439 38 HD11 ILE 4 HD11 ILE 4 6.700 2.505 -7.082 39 HD12 ILE 4 HD12 ILE 4 6.773 2.664 -5.327 40 HD13 ILE 4 HD13 ILE 4 6.306 1.127 -6.054 41 H GLY 5 H GLY 5 3.518 7.092 -4.460 42 HA2 GLY 5 HA2 GLY 5 2.526 7.163 -2.032 43 HA3 GLY 5 HA3 GLY 5 4.231 7.065 -1.619 44 H VAL 6 H VAL 6 1.722 9.145 -2.040 45 HA VAL 6 HA VAL 6 3.546 11.419 -2.254 46 HB VAL 6 HB VAL 6 1.029 11.243 -3.915 47 HG11 VAL 6 HG11 VAL 6 1.287 13.491 -3.560 48 HG12 VAL 6 HG12 VAL 6 3.039 13.375 -3.382 49 HG13 VAL 6 HG13 VAL 6 2.305 13.281 -4.984 50 HG21 VAL 6 HG21 VAL 6 2.511 9.795 -4.992 51 HG22 VAL 6 HG22 VAL 6 2.750 11.333 -5.821 52 HG23 VAL 6 HG23 VAL 6 3.913 10.794 -4.610 53 H ARG 7 H ARG 7 3.024 11.410 0.057 54 HA ARG 7 HA ARG 7 0.483 12.807 0.564 55 HB2 ARG 7 HB2 ARG 7 1.703 10.500 2.028 56 HB3 ARG 7 HB3 ARG 7 0.755 11.679 2.925 57 HG2 ARG 7 HG2 ARG 7 -0.465 10.604 0.460 58 HG3 ARG 7 HG3 ARG 7 -0.294 9.490 1.817 59 HD2 ARG 7 HD2 ARG 7 -1.740 10.670 3.146 60 HD3 ARG 7 HD3 ARG 7 -1.400 12.201 2.340 61 HE ARG 7 HE ARG 7 -3.164 11.787 0.962 62 HH11 ARG 7 HH11 ARG 7 -3.340 7.833 1.563 63 HH12 ARG 7 HH12 ARG 7 -2.068 8.760 2.287 64 HH21 ARG 7 HH21 ARG 7 -4.918 8.868 0.263 65 HH22 ARG 7 HH22 ARG 7 -4.844 10.578 0.004 66 H LEU 8 H LEU 8 2.383 14.453 0.047 67 HA LEU 8 HA LEU 8 4.361 15.074 1.865 68 HB2 LEU 8 HB2 LEU 8 3.905 17.494 1.111 69 HB3 LEU 8 HB3 LEU 8 4.422 16.308 -0.085 70 HG LEU 8 HG LEU 8 1.535 16.454 0.082 71 HD11 LEU 8 HD11 LEU 8 1.464 18.678 0.553 72 HD12 LEU 8 HD12 LEU 8 1.700 18.771 -1.192 73 HD13 LEU 8 HD13 LEU 8 3.071 18.985 -0.105 74 HD21 LEU 8 HD21 LEU 8 2.964 17.334 -2.334 75 HD22 LEU 8 HD22 LEU 8 1.707 16.112 -2.136 76 HD23 LEU 8 HD23 LEU 8 3.385 15.724 -1.750 77 HA PRO 9 HA PRO 9 2.468 16.542 5.541 78 HB2 PRO 9 HB2 PRO 9 4.138 18.557 6.262 79 HB3 PRO 9 HB3 PRO 9 4.584 16.851 6.381 80 HG2 PRO 9 HG2 PRO 9 5.276 18.847 4.260 81 HG3 PRO 9 HG3 PRO 9 6.310 17.628 5.029 82 HD2 PRO 9 HD2 PRO 9 5.208 17.269 2.581 83 HD3 PRO 9 HD3 PRO 9 5.503 15.924 3.703 84 H GLY 10 H GLY 10 3.083 18.830 2.966 85 HA2 GLY 10 HA2 GLY 10 1.532 20.403 2.171 86 HA3 GLY 10 HA3 GLY 10 0.636 20.248 3.675 87 H HIS 11 H HIS 11 3.987 20.645 4.092 88 HA HIS 11 HA HIS 11 3.636 23.156 5.397 89 HB2 HIS 11 HB2 HIS 11 5.684 21.149 5.197 90 HB3 HIS 11 HB3 HIS 11 6.390 22.738 4.919 91 HD1 HIS 11 HD1 HIS 11 7.586 22.996 7.124 92 HD2 HIS 11 HD2 HIS 11 3.554 22.098 7.569 93 HE1 HIS 11 HE1 HIS 11 7.099 23.289 9.573 94 H GLN 12 H GLN 12 4.412 22.202 2.183 95 HA GLN 12 HA GLN 12 5.655 24.704 1.455 96 HB2 GLN 12 HB2 GLN 12 4.929 22.186 0.017 97 HB3 GLN 12 HB3 GLN 12 5.235 23.643 -0.920 98 HG2 GLN 12 HG2 GLN 12 7.382 23.630 0.732 99 HG3 GLN 12 HG3 GLN 12 7.093 21.902 0.531 100 HE21 GLN 12 HE21 GLN 12 7.387 24.899 -1.331 101 HE22 GLN 12 HE22 GLN 12 8.170 24.181 -2.694 102 H LYS 13 H LYS 13 2.474 23.329 1.466 103 HA LYS 13 HA LYS 13 1.235 24.955 -0.457 104 HB2 LYS 13 HB2 LYS 13 -0.006 23.827 2.058 105 HB3 LYS 13 HB3 LYS 13 -0.861 24.340 0.609 106 HG2 LYS 13 HG2 LYS 13 1.065 22.433 -0.186 107 HG3 LYS 13 HG3 LYS 13 0.234 21.791 1.233 108 HD2 LYS 13 HD2 LYS 13 -1.932 22.401 0.079 109 HD3 LYS 13 HD3 LYS 13 -0.973 22.701 -1.372 110 HE2 LYS 13 HE2 LYS 13 -0.141 20.205 -0.431 111 HE3 LYS 13 HE3 LYS 13 -1.896 20.205 -0.259 112 HZ1 LYS 13 HZ1 LYS 13 -2.207 20.285 -2.480 113 HZ2 LYS 13 HZ2 LYS 13 -0.684 19.552 -2.508 114 HZ3 LYS 13 HZ3 LYS 13 -0.825 21.217 -2.773 115 H ARG 14 H ARG 14 2.224 25.579 2.811 116 HA ARG 14 HA ARG 14 0.579 27.791 3.374 117 HB2 ARG 14 HB2 ARG 14 1.661 26.945 5.244 118 HB3 ARG 14 HB3 ARG 14 3.205 26.804 4.414 119 HG2 ARG 14 HG2 ARG 14 3.253 28.560 6.098 120 HG3 ARG 14 HG3 ARG 14 3.479 29.220 4.477 121 HD2 ARG 14 HD2 ARG 14 0.739 29.289 4.843 122 HD3 ARG 14 HD3 ARG 14 1.384 29.731 6.424 123 HE ARG 14 HE ARG 14 1.539 31.268 3.986 124 HH11 ARG 14 HH11 ARG 14 3.503 32.345 7.304 125 HH12 ARG 14 HH12 ARG 14 2.844 30.748 7.171 126 HH21 ARG 14 HH21 ARG 14 3.250 33.838 5.585 127 HH22 ARG 14 HH22 ARG 14 2.401 33.373 4.149 128 H ILE 15 H ILE 15 3.711 27.522 1.768 129 HA ILE 15 HA ILE 15 3.922 30.392 1.429 130 HB ILE 15 HB ILE 15 5.656 28.158 0.368 131 HG12 ILE 15 HG12 ILE 15 7.205 29.481 2.123 132 HG13 ILE 15 HG13 ILE 15 5.634 29.776 2.859 133 HG21 ILE 15 HG21 ILE 15 5.742 31.113 0.032 134 HG22 ILE 15 HG22 ILE 15 7.264 30.237 0.192 135 HG23 ILE 15 HG23 ILE 15 6.147 29.833 -1.111 136 HD11 ILE 15 HD11 ILE 15 5.803 27.799 3.830 137 HD12 ILE 15 HD12 ILE 15 5.672 27.055 2.236 138 HD13 ILE 15 HD13 ILE 15 7.259 27.418 2.912 139 H ALA 16 H ALA 16 2.792 27.648 -0.351 140 HA ALA 16 HA ALA 16 2.808 29.023 -2.902 141 HB1 ALA 16 HB1 ALA 16 1.217 26.590 -2.766 142 HB2 ALA 16 HB2 ALA 16 2.588 26.993 -3.801 143 HB3 ALA 16 HB3 ALA 16 2.864 26.370 -2.174 144 H TYR 17 H TYR 17 0.817 28.951 -0.200 145 HA TYR 17 HA TYR 17 -1.579 29.618 -1.769 146 HB2 TYR 17 HB2 TYR 17 -1.731 27.776 -0.063 147 HB3 TYR 17 HB3 TYR 17 -1.431 28.982 1.182 148 HD1 TYR 17 HD1 TYR 17 -3.177 30.353 1.994 149 HD2 TYR 17 HD2 TYR 17 -3.806 27.968 -1.473 150 HE1 TYR 17 HE1 TYR 17 -5.582 30.858 2.091 151 HE2 TYR 17 HE2 TYR 17 -6.213 28.468 -1.387 152 HH TYR 17 HH TYR 17 -7.762 29.911 -0.474 153 H SER 18 H SER 18 0.773 30.869 0.432 154 HA SER 18 HA SER 18 -0.768 33.220 1.114 155 HB2 SER 18 HB2 SER 18 0.651 32.590 2.862 156 HB3 SER 18 HB3 SER 18 1.992 32.233 1.774 157 HG SER 18 HG SER 18 2.634 34.163 2.299 158 H LEU 19 H LEU 19 1.520 32.258 -1.286 159 HA LEU 19 HA LEU 19 2.173 34.980 -2.051 160 HB2 LEU 19 HB2 LEU 19 3.210 32.327 -2.580 161 HB3 LEU 19 HB3 LEU 19 3.059 33.276 -4.057 162 HG LEU 19 HG LEU 19 5.303 33.410 -3.050 163 HD11 LEU 19 HD11 LEU 19 3.566 35.772 -3.470 164 HD12 LEU 19 HD12 LEU 19 5.016 35.259 -4.333 165 HD13 LEU 19 HD13 LEU 19 5.158 36.048 -2.762 166 HD21 LEU 19 HD21 LEU 19 4.237 35.101 -0.846 167 HD22 LEU 19 HD22 LEU 19 5.731 34.168 -0.934 168 HD23 LEU 19 HD23 LEU 19 4.193 33.347 -0.663 169 H LEU 20 H LEU 20 0.441 32.205 -3.440 170 HA LEU 20 HA LEU 20 -0.396 33.589 -5.778 171 HB2 LEU 20 HB2 LEU 20 -0.395 30.978 -4.938 172 HB3 LEU 20 HB3 LEU 20 -2.108 31.390 -4.896 173 HG LEU 20 HG LEU 20 -1.781 32.195 -7.308 174 HD11 LEU 20 HD11 LEU 20 0.085 31.614 -8.495 175 HD12 LEU 20 HD12 LEU 20 0.502 30.289 -7.409 176 HD13 LEU 20 HD13 LEU 20 0.807 31.956 -6.922 177 HD21 LEU 20 HD21 LEU 20 -2.341 29.661 -6.176 178 HD22 LEU 20 HD22 LEU 20 -1.392 29.396 -7.639 179 HD23 LEU 20 HD23 LEU 20 -2.893 30.320 -7.716 180 H GLY 21 H GLY 21 -1.530 33.506 -2.535 181 HA2 GLY 21 HA2 GLY 21 -4.246 34.243 -3.095 182 HA3 GLY 21 HA3 GLY 21 -3.453 34.293 -1.527 183 H LEU 22 H LEU 22 -1.274 35.992 -2.422 184 HA LEU 22 HA LEU 22 -2.731 38.529 -2.395 185 HB2 LEU 22 HB2 LEU 22 -0.656 37.665 -0.884 186 HB3 LEU 22 HB3 LEU 22 0.201 38.541 -2.150 187 HG LEU 22 HG LEU 22 -0.135 39.993 -0.264 188 HD11 LEU 22 HD11 LEU 22 -2.205 40.937 -2.195 189 HD12 LEU 22 HD12 LEU 22 -0.534 40.746 -2.726 190 HD13 LEU 22 HD13 LEU 22 -0.917 41.838 -1.394 191 HD21 LEU 22 HD21 LEU 22 -2.226 38.654 0.468 192 HD22 LEU 22 HD22 LEU 22 -3.107 39.786 -0.558 193 HD23 LEU 22 HD23 LEU 22 -2.155 40.384 0.802 194 H LYS 23 H LYS 23 -0.561 36.637 -4.345 195 HA LYS 23 HA LYS 23 0.117 38.784 -6.137 196 HB2 LYS 23 HB2 LYS 23 0.524 35.796 -6.263 197 HB3 LYS 23 HB3 LYS 23 1.043 36.887 -7.542 198 HG2 LYS 23 HG2 LYS 23 1.930 37.257 -4.702 199 HG3 LYS 23 HG3 LYS 23 2.772 36.172 -5.811 200 HD2 LYS 23 HD2 LYS 23 3.324 37.952 -7.276 201 HD3 LYS 23 HD3 LYS 23 2.217 39.059 -6.460 202 HE2 LYS 23 HE2 LYS 23 4.204 39.740 -5.555 203 HE3 LYS 23 HE3 LYS 23 3.737 38.511 -4.381 204 HZ1 LYS 23 HZ1 LYS 23 5.148 37.253 -6.439 205 HZ2 LYS 23 HZ2 LYS 23 5.607 37.441 -4.822 206 HZ3 LYS 23 HZ3 LYS 23 6.044 38.608 -5.966 207 H ASP 24 H ASP 24 -2.535 36.703 -5.748 208 HA ASP 24 HA ASP 24 -3.341 36.510 -8.479 209 HB2 ASP 24 HB2 ASP 24 -4.202 34.852 -7.019 210 HB3 ASP 24 HB3 ASP 24 -4.766 36.055 -5.862 211 H GLN 25 H GLN 25 -3.885 38.799 -5.891 212 HA GLN 25 HA GLN 25 -5.796 40.291 -7.528 213 HB2 GLN 25 HB2 GLN 25 -5.501 39.868 -4.744 214 HB3 GLN 25 HB3 GLN 25 -5.213 41.578 -5.034 215 HG2 GLN 25 HG2 GLN 25 -7.517 40.614 -6.493 216 HG3 GLN 25 HG3 GLN 25 -7.664 40.331 -4.759 217 HE21 GLN 25 HE21 GLN 25 -8.070 42.006 -3.432 218 HE22 GLN 25 HE22 GLN 25 -8.249 43.644 -3.952 219 H VAL 26 H VAL 26 -2.872 40.099 -8.080 220 HA VAL 26 HA VAL 26 -2.388 42.982 -8.285 221 HB VAL 26 HB VAL 26 -0.295 41.013 -7.349 222 HG11 VAL 26 HG11 VAL 26 -0.172 43.964 -7.939 223 HG12 VAL 26 HG12 VAL 26 1.068 43.093 -7.035 224 HG13 VAL 26 HG13 VAL 26 0.739 42.670 -8.716 225 HG21 VAL 26 HG21 VAL 26 -1.917 41.548 -5.600 226 HG22 VAL 26 HG22 VAL 26 -0.341 42.256 -5.246 227 HG23 VAL 26 HG23 VAL 26 -1.644 43.269 -5.867 228 HN1 NH2 27 HN1 NH2 27 -1.257 43.640 -10.104 229 HN2 NH2 27 HN2 NH2 27 -0.839 42.566 -11.397 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 -1.505 8.684 -0.074 2 H2 ACE 1 H2 ACE 1 -2.139 10.301 0.316 3 H3 ACE 1 H3 ACE 1 -2.853 9.362 -1.018 4 H LYS 2 H LYS 2 -0.121 11.207 0.076 5 HA LYS 2 HA LYS 2 1.555 10.965 -2.144 6 HB2 LYS 2 HB2 LYS 2 1.018 13.227 -3.201 7 HB3 LYS 2 HB3 LYS 2 -0.079 11.899 -3.560 8 HG2 LYS 2 HG2 LYS 2 -1.711 12.737 -2.041 9 HG3 LYS 2 HG3 LYS 2 -0.587 13.944 -1.412 10 HD2 LYS 2 HD2 LYS 2 -0.850 15.319 -3.206 11 HD3 LYS 2 HD3 LYS 2 -1.118 13.983 -4.328 12 HE2 LYS 2 HE2 LYS 2 -3.220 14.893 -4.248 13 HE3 LYS 2 HE3 LYS 2 -3.338 13.698 -2.958 14 HZ1 LYS 2 HZ1 LYS 2 -2.350 16.247 -2.071 15 HZ2 LYS 2 HZ2 LYS 2 -3.579 15.280 -1.426 16 HZ3 LYS 2 HZ3 LYS 2 -3.915 16.328 -2.711 17 H ARG 3 H ARG 3 0.251 13.038 0.369 18 HA ARG 3 HA ARG 3 2.812 14.428 0.625 19 HB2 ARG 3 HB2 ARG 3 0.217 15.315 0.865 20 HB3 ARG 3 HB3 ARG 3 0.705 15.110 2.542 21 HG2 ARG 3 HG2 ARG 3 2.234 16.714 0.505 22 HG3 ARG 3 HG3 ARG 3 1.088 17.388 1.665 23 HD2 ARG 3 HD2 ARG 3 2.464 16.493 3.503 24 HD3 ARG 3 HD3 ARG 3 3.622 15.889 2.319 25 HE ARG 3 HE ARG 3 4.425 18.024 2.051 26 HH11 ARG 3 HH11 ARG 3 1.578 19.790 4.242 27 HH12 ARG 3 HH12 ARG 3 1.430 18.116 3.823 28 HH21 ARG 3 HH21 ARG 3 3.399 20.992 3.544 29 HH22 ARG 3 HH22 ARG 3 4.631 20.230 2.597 30 H ILE 4 H ILE 4 2.084 11.559 1.454 31 HA ILE 4 HA ILE 4 2.984 11.778 4.252 32 HB ILE 4 HB ILE 4 1.507 9.435 3.058 33 HG12 ILE 4 HG12 ILE 4 0.071 11.431 3.041 34 HG13 ILE 4 HG13 ILE 4 -0.481 10.258 4.233 35 HG21 ILE 4 HG21 ILE 4 2.068 8.410 4.943 36 HG22 ILE 4 HG22 ILE 4 2.910 9.853 5.504 37 HG23 ILE 4 HG23 ILE 4 1.195 9.641 5.855 38 HD11 ILE 4 HD11 ILE 4 -0.324 11.756 5.849 39 HD12 ILE 4 HD12 ILE 4 1.356 12.102 5.435 40 HD13 ILE 4 HD13 ILE 4 0.052 12.967 4.623 41 H GLY 5 H GLY 5 3.587 10.448 1.119 42 HA2 GLY 5 HA2 GLY 5 5.764 8.779 2.191 43 HA3 GLY 5 HA3 GLY 5 5.047 8.612 0.595 44 H VAL 6 H VAL 6 6.373 9.202 -0.973 45 HA VAL 6 HA VAL 6 8.120 11.532 -0.531 46 HB VAL 6 HB VAL 6 9.328 9.294 -0.492 47 HG11 VAL 6 HG11 VAL 6 7.840 8.682 -2.648 48 HG12 VAL 6 HG12 VAL 6 9.310 9.252 -3.441 49 HG13 VAL 6 HG13 VAL 6 9.388 7.922 -2.285 50 HG21 VAL 6 HG21 VAL 6 11.125 10.496 -1.018 51 HG22 VAL 6 HG22 VAL 6 10.638 10.591 -2.710 52 HG23 VAL 6 HG23 VAL 6 10.036 11.777 -1.552 53 H ARG 7 H ARG 7 5.467 11.121 -1.886 54 HA ARG 7 HA ARG 7 6.241 12.006 -4.587 55 HB2 ARG 7 HB2 ARG 7 3.891 10.423 -3.601 56 HB3 ARG 7 HB3 ARG 7 3.770 11.354 -5.088 57 HG2 ARG 7 HG2 ARG 7 5.912 10.102 -5.785 58 HG3 ARG 7 HG3 ARG 7 5.495 8.988 -4.481 59 HD2 ARG 7 HD2 ARG 7 3.118 9.134 -5.698 60 HD3 ARG 7 HD3 ARG 7 4.161 9.466 -7.080 61 HE ARG 7 HE ARG 7 4.793 7.272 -7.071 62 HH11 ARG 7 HH11 ARG 7 3.406 6.411 -3.416 63 HH12 ARG 7 HH12 ARG 7 3.381 8.047 -3.985 64 HH21 ARG 7 HH21 ARG 7 4.232 4.743 -4.752 65 HH22 ARG 7 HH22 ARG 7 4.832 5.114 -6.333 66 H LEU 8 H LEU 8 6.358 13.902 -2.670 67 HA LEU 8 HA LEU 8 3.974 15.294 -2.136 68 HB2 LEU 8 HB2 LEU 8 6.872 15.935 -2.071 69 HB3 LEU 8 HB3 LEU 8 5.735 17.281 -2.042 70 HG LEU 8 HG LEU 8 4.676 16.225 -0.030 71 HD11 LEU 8 HD11 LEU 8 5.812 14.502 1.157 72 HD12 LEU 8 HD12 LEU 8 7.162 14.529 0.023 73 HD13 LEU 8 HD13 LEU 8 5.584 13.942 -0.500 74 HD21 LEU 8 HD21 LEU 8 6.443 18.060 -0.032 75 HD22 LEU 8 HD22 LEU 8 7.590 16.799 0.419 76 HD23 LEU 8 HD23 LEU 8 6.220 17.161 1.470 77 HA PRO 9 HA PRO 9 2.996 17.463 -5.822 78 HB2 PRO 9 HB2 PRO 9 2.283 19.914 -4.897 79 HB3 PRO 9 HB3 PRO 9 1.286 18.473 -4.667 80 HG2 PRO 9 HG2 PRO 9 3.177 19.791 -2.758 81 HG3 PRO 9 HG3 PRO 9 1.558 19.134 -2.454 82 HD2 PRO 9 HD2 PRO 9 3.820 17.787 -1.820 83 HD3 PRO 9 HD3 PRO 9 2.327 16.965 -2.318 84 H GLY 10 H GLY 10 5.371 18.891 -3.685 85 HA2 GLY 10 HA2 GLY 10 7.442 19.415 -5.150 86 HA3 GLY 10 HA3 GLY 10 6.357 20.597 -5.867 87 H HIS 11 H HIS 11 8.756 20.204 -3.657 88 HA HIS 11 HA HIS 11 8.040 21.629 -1.406 89 HB2 HIS 11 HB2 HIS 11 10.493 22.334 -1.358 90 HB3 HIS 11 HB3 HIS 11 10.171 20.603 -1.412 91 HD1 HIS 11 HD1 HIS 11 11.637 23.395 -3.393 92 HD2 HIS 11 HD2 HIS 11 10.908 19.326 -3.812 93 HE1 HIS 11 HE1 HIS 11 12.952 22.680 -5.415 94 H GLN 12 H GLN 12 9.359 22.915 -4.451 95 HA GLN 12 HA GLN 12 9.141 25.637 -3.618 96 HB2 GLN 12 HB2 GLN 12 10.176 24.193 -5.883 97 HB3 GLN 12 HB3 GLN 12 9.194 25.543 -6.434 98 HG2 GLN 12 HG2 GLN 12 10.641 26.775 -4.540 99 HG3 GLN 12 HG3 GLN 12 11.783 25.526 -5.033 100 HE21 GLN 12 HE21 GLN 12 12.902 25.795 -6.858 101 HE22 GLN 12 HE22 GLN 12 12.664 27.079 -7.988 102 H LYS 13 H LYS 13 7.020 23.361 -5.138 103 HA LYS 13 HA LYS 13 5.212 25.236 -6.284 104 HB2 LYS 13 HB2 LYS 13 5.408 22.356 -5.997 105 HB3 LYS 13 HB3 LYS 13 3.762 22.914 -5.731 106 HG2 LYS 13 HG2 LYS 13 4.000 24.191 -7.911 107 HG3 LYS 13 HG3 LYS 13 5.466 23.245 -8.179 108 HD2 LYS 13 HD2 LYS 13 4.127 21.715 -9.108 109 HD3 LYS 13 HD3 LYS 13 3.610 21.338 -7.462 110 HE2 LYS 13 HE2 LYS 13 2.011 23.431 -7.966 111 HE3 LYS 13 HE3 LYS 13 2.214 22.822 -9.607 112 HZ1 LYS 13 HZ1 LYS 13 0.796 21.197 -9.177 113 HZ2 LYS 13 HZ2 LYS 13 0.512 21.855 -7.645 114 HZ3 LYS 13 HZ3 LYS 13 1.707 20.675 -7.849 115 H ARG 14 H ARG 14 5.308 23.484 -3.209 116 HA ARG 14 HA ARG 14 2.813 24.254 -2.221 117 HB2 ARG 14 HB2 ARG 14 4.878 22.720 -1.295 118 HB3 ARG 14 HB3 ARG 14 4.966 24.110 -0.222 119 HG2 ARG 14 HG2 ARG 14 2.556 22.365 -0.681 120 HG3 ARG 14 HG3 ARG 14 3.593 22.370 0.747 121 HD2 ARG 14 HD2 ARG 14 1.890 24.659 -0.233 122 HD3 ARG 14 HD3 ARG 14 1.549 23.627 1.155 123 HE ARG 14 HE ARG 14 4.087 24.984 1.282 124 HH11 ARG 14 HH11 ARG 14 0.882 26.325 3.271 125 HH12 ARG 14 HH12 ARG 14 0.687 25.152 2.010 126 HH21 ARG 14 HH21 ARG 14 2.969 27.107 3.798 127 HH22 ARG 14 HH22 ARG 14 4.356 26.528 2.939 128 H ILE 15 H ILE 15 5.714 26.060 -2.628 129 HA ILE 15 HA ILE 15 4.955 28.137 -0.752 130 HB ILE 15 HB ILE 15 7.230 28.034 -2.735 131 HG12 ILE 15 HG12 ILE 15 7.578 27.900 0.229 132 HG13 ILE 15 HG13 ILE 15 7.046 26.451 -0.618 133 HG21 ILE 15 HG21 ILE 15 8.145 29.925 -1.434 134 HG22 ILE 15 HG22 ILE 15 6.640 30.324 -2.260 135 HG23 ILE 15 HG23 ILE 15 6.635 29.998 -0.527 136 HD11 ILE 15 HD11 ILE 15 9.417 27.908 -1.654 137 HD12 ILE 15 HD12 ILE 15 9.586 26.931 -0.196 138 HD13 ILE 15 HD13 ILE 15 9.036 26.187 -1.697 139 H ALA 16 H ALA 16 5.199 27.720 -4.262 140 HA ALA 16 HA ALA 16 4.393 30.354 -4.928 141 HB1 ALA 16 HB1 ALA 16 5.387 29.436 -6.740 142 HB2 ALA 16 HB2 ALA 16 4.795 27.814 -6.381 143 HB3 ALA 16 HB3 ALA 16 3.726 28.995 -7.138 144 H TYR 17 H TYR 17 2.666 27.555 -3.921 145 HA TYR 17 HA TYR 17 0.120 28.595 -4.911 146 HB2 TYR 17 HB2 TYR 17 1.081 26.027 -4.673 147 HB3 TYR 17 HB3 TYR 17 0.038 26.172 -3.263 148 HD1 TYR 17 HD1 TYR 17 -2.282 25.951 -3.479 149 HD2 TYR 17 HD2 TYR 17 0.080 26.613 -6.955 150 HE1 TYR 17 HE1 TYR 17 -4.254 25.538 -4.889 151 HE2 TYR 17 HE2 TYR 17 -1.886 26.204 -8.376 152 HH TYR 17 HH TYR 17 -4.520 26.420 -7.981 153 H SER 18 H SER 18 1.987 28.323 -2.015 154 HA SER 18 HA SER 18 -0.234 28.804 -0.234 155 HB2 SER 18 HB2 SER 18 1.655 27.470 0.550 156 HB3 SER 18 HB3 SER 18 2.754 28.819 0.264 157 HG SER 18 HG SER 18 2.268 29.451 2.196 158 H LEU 19 H LEU 19 2.035 30.682 -2.026 159 HA LEU 19 HA LEU 19 1.613 33.078 -0.440 160 HB2 LEU 19 HB2 LEU 19 3.443 32.213 -2.556 161 HB3 LEU 19 HB3 LEU 19 2.916 33.889 -2.702 162 HG LEU 19 HG LEU 19 3.703 34.237 -0.340 163 HD11 LEU 19 HD11 LEU 19 3.832 31.500 -0.264 164 HD12 LEU 19 HD12 LEU 19 4.588 32.598 0.890 165 HD13 LEU 19 HD13 LEU 19 5.522 31.962 -0.463 166 HD21 LEU 19 HD21 LEU 19 6.038 33.321 -1.935 167 HD22 LEU 19 HD22 LEU 19 5.788 34.829 -1.055 168 HD23 LEU 19 HD23 LEU 19 5.003 34.578 -2.615 169 H LEU 20 H LEU 20 0.806 31.848 -3.662 170 HA LEU 20 HA LEU 20 -0.673 34.209 -4.376 171 HB2 LEU 20 HB2 LEU 20 0.465 32.110 -5.762 172 HB3 LEU 20 HB3 LEU 20 -1.266 31.812 -5.916 173 HG LEU 20 HG LEU 20 -1.433 34.226 -6.736 174 HD11 LEU 20 HD11 LEU 20 0.388 35.475 -7.034 175 HD12 LEU 20 HD12 LEU 20 1.294 34.140 -7.746 176 HD13 LEU 20 HD13 LEU 20 1.213 34.314 -5.993 177 HD21 LEU 20 HD21 LEU 20 -1.315 33.495 -8.897 178 HD22 LEU 20 HD22 LEU 20 -1.322 31.943 -8.059 179 HD23 LEU 20 HD23 LEU 20 0.198 32.626 -8.640 180 H GLY 21 H GLY 21 -1.312 31.753 -2.287 181 HA2 GLY 21 HA2 GLY 21 -4.192 31.693 -2.898 182 HA3 GLY 21 HA3 GLY 21 -3.344 30.533 -1.886 183 H LEU 22 H LEU 22 -1.908 32.979 -0.685 184 HA LEU 22 HA LEU 22 -4.089 33.713 1.156 185 HB2 LEU 22 HB2 LEU 22 -1.755 32.386 1.742 186 HB3 LEU 22 HB3 LEU 22 -1.368 34.054 2.157 187 HG LEU 22 HG LEU 22 -3.765 33.760 3.394 188 HD11 LEU 22 HD11 LEU 22 -4.013 31.434 2.868 189 HD12 LEU 22 HD12 LEU 22 -3.653 31.586 4.587 190 HD13 LEU 22 HD13 LEU 22 -2.391 31.079 3.464 191 HD21 LEU 22 HD21 LEU 22 -0.932 33.607 4.185 192 HD22 LEU 22 HD22 LEU 22 -2.091 33.001 5.368 193 HD23 LEU 22 HD23 LEU 22 -2.222 34.656 4.771 194 H LYS 23 H LYS 23 -1.539 34.836 -0.886 195 HA LYS 23 HA LYS 23 -1.839 37.583 0.092 196 HB2 LYS 23 HB2 LYS 23 0.405 36.211 -0.608 197 HB3 LYS 23 HB3 LYS 23 0.045 37.045 -2.114 198 HG2 LYS 23 HG2 LYS 23 0.944 38.898 -1.313 199 HG3 LYS 23 HG3 LYS 23 -0.223 38.908 0.011 200 HD2 LYS 23 HD2 LYS 23 2.279 37.239 0.070 201 HD3 LYS 23 HD3 LYS 23 2.234 38.903 0.657 202 HE2 LYS 23 HE2 LYS 23 0.058 37.262 1.691 203 HE3 LYS 23 HE3 LYS 23 1.652 36.647 2.126 204 HZ1 LYS 23 HZ1 LYS 23 2.181 38.591 3.250 205 HZ2 LYS 23 HZ2 LYS 23 0.560 38.345 3.663 206 HZ3 LYS 23 HZ3 LYS 23 0.969 39.496 2.492 207 H ASP 24 H ASP 24 -3.308 35.628 -2.068 208 HA ASP 24 HA ASP 24 -3.862 37.850 -3.925 209 HB2 ASP 24 HB2 ASP 24 -2.724 35.533 -4.675 210 HB3 ASP 24 HB3 ASP 24 -4.419 35.067 -4.797 211 H GLN 25 H GLN 25 -5.165 35.261 -1.975 212 HA GLN 25 HA GLN 25 -7.875 35.619 -2.844 213 HB2 GLN 25 HB2 GLN 25 -6.876 33.491 -1.875 214 HB3 GLN 25 HB3 GLN 25 -6.965 34.274 -0.303 215 HG2 GLN 25 HG2 GLN 25 -9.161 33.930 -0.122 216 HG3 GLN 25 HG3 GLN 25 -9.466 34.370 -1.801 217 HE21 GLN 25 HE21 GLN 25 -7.663 31.790 -0.155 218 HE22 GLN 25 HE22 GLN 25 -8.393 30.490 -1.029 219 H VAL 26 H VAL 26 -5.834 37.356 -0.826 220 HA VAL 26 HA VAL 26 -8.003 38.368 0.859 221 HB VAL 26 HB VAL 26 -5.841 37.772 1.926 222 HG11 VAL 26 HG11 VAL 26 -4.399 38.469 0.039 223 HG12 VAL 26 HG12 VAL 26 -4.747 40.154 0.434 224 HG13 VAL 26 HG13 VAL 26 -3.883 39.137 1.588 225 HG21 VAL 26 HG21 VAL 26 -7.381 39.435 2.911 226 HG22 VAL 26 HG22 VAL 26 -5.693 39.740 3.322 227 HG23 VAL 26 HG23 VAL 26 -6.489 40.714 2.086 228 HN1 NH2 27 HN1 NH2 27 -5.981 39.243 -1.839 229 HN2 NH2 27 HN2 NH2 27 -6.580 40.855 -2.051 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 6.557 20.164 0.233 2 H2 ACE 1 H2 ACE 1 7.646 19.208 -0.800 3 H3 ACE 1 H3 ACE 1 5.999 18.624 -0.464 4 H LYS 2 H LYS 2 8.355 20.070 1.708 5 HA LYS 2 HA LYS 2 9.331 19.335 3.626 6 HB2 LYS 2 HB2 LYS 2 6.728 17.915 3.558 7 HB3 LYS 2 HB3 LYS 2 7.932 17.290 4.677 8 HG2 LYS 2 HG2 LYS 2 8.025 19.992 5.140 9 HG3 LYS 2 HG3 LYS 2 6.312 19.701 4.827 10 HD2 LYS 2 HD2 LYS 2 6.270 19.185 7.023 11 HD3 LYS 2 HD3 LYS 2 6.869 17.623 6.460 12 HE2 LYS 2 HE2 LYS 2 8.335 18.175 8.179 13 HE3 LYS 2 HE3 LYS 2 9.207 18.666 6.728 14 HZ1 LYS 2 HZ1 LYS 2 9.461 20.509 8.022 15 HZ2 LYS 2 HZ2 LYS 2 7.973 20.325 8.804 16 HZ3 LYS 2 HZ3 LYS 2 8.029 20.930 7.226 17 H ARG 3 H ARG 3 9.775 17.965 0.938 18 HA ARG 3 HA ARG 3 11.117 16.327 0.107 19 HB2 ARG 3 HB2 ARG 3 12.522 17.166 2.095 20 HB3 ARG 3 HB3 ARG 3 11.983 15.710 2.922 21 HG2 ARG 3 HG2 ARG 3 12.908 14.884 0.403 22 HG3 ARG 3 HG3 ARG 3 14.092 16.037 1.021 23 HD2 ARG 3 HD2 ARG 3 13.649 14.579 3.241 24 HD3 ARG 3 HD3 ARG 3 13.353 13.356 2.007 25 HE ARG 3 HE ARG 3 15.715 14.553 1.289 26 HH11 ARG 3 HH11 ARG 3 16.061 12.236 4.534 27 HH12 ARG 3 HH12 ARG 3 14.510 12.864 4.084 28 HH21 ARG 3 HH21 ARG 3 17.910 12.730 3.276 29 HH22 ARG 3 HH22 ARG 3 17.762 13.732 1.871 30 H ILE 4 H ILE 4 8.396 15.778 1.444 31 HA ILE 4 HA ILE 4 8.690 12.848 1.589 32 HB ILE 4 HB ILE 4 7.963 13.692 3.728 33 HG12 ILE 4 HG12 ILE 4 5.814 12.496 3.952 34 HG13 ILE 4 HG13 ILE 4 5.651 12.474 2.199 35 HG21 ILE 4 HG21 ILE 4 5.830 15.108 2.146 36 HG22 ILE 4 HG22 ILE 4 5.762 14.895 3.895 37 HG23 ILE 4 HG23 ILE 4 7.074 15.823 3.171 38 HD11 ILE 4 HD11 ILE 4 6.809 10.529 3.781 39 HD12 ILE 4 HD12 ILE 4 6.924 10.669 2.026 40 HD13 ILE 4 HD13 ILE 4 8.179 11.365 3.051 41 H GLY 5 H GLY 5 7.058 15.533 0.129 42 HA2 GLY 5 HA2 GLY 5 6.254 14.269 -2.159 43 HA3 GLY 5 HA3 GLY 5 4.927 14.003 -1.038 44 H VAL 6 H VAL 6 6.081 16.003 -3.405 45 HA VAL 6 HA VAL 6 4.537 18.304 -2.398 46 HB VAL 6 HB VAL 6 6.946 18.757 -2.826 47 HG11 VAL 6 HG11 VAL 6 6.738 17.156 -4.958 48 HG12 VAL 6 HG12 VAL 6 6.517 18.717 -5.751 49 HG13 VAL 6 HG13 VAL 6 7.977 18.402 -4.812 50 HG21 VAL 6 HG21 VAL 6 6.493 20.871 -3.483 51 HG22 VAL 6 HG22 VAL 6 5.586 20.351 -4.904 52 HG23 VAL 6 HG23 VAL 6 4.821 20.334 -3.315 53 H ARG 7 H ARG 7 4.821 15.926 -4.866 54 HA ARG 7 HA ARG 7 2.912 17.330 -6.591 55 HB2 ARG 7 HB2 ARG 7 3.436 15.595 -8.254 56 HB3 ARG 7 HB3 ARG 7 4.883 16.428 -7.703 57 HG2 ARG 7 HG2 ARG 7 5.738 14.584 -6.710 58 HG3 ARG 7 HG3 ARG 7 4.151 13.950 -6.269 59 HD2 ARG 7 HD2 ARG 7 5.244 13.992 -9.078 60 HD3 ARG 7 HD3 ARG 7 5.353 12.606 -7.993 61 HE ARG 7 HE ARG 7 2.675 13.380 -8.142 62 HH11 ARG 7 HH11 ARG 7 4.039 11.193 -11.206 63 HH12 ARG 7 HH12 ARG 7 5.154 12.051 -10.194 64 HH21 ARG 7 HH21 ARG 7 1.789 11.310 -10.791 65 HH22 ARG 7 HH22 ARG 7 1.198 12.254 -9.466 66 H LEU 8 H LEU 8 1.728 16.603 -4.294 67 HA LEU 8 HA LEU 8 0.685 14.065 -4.007 68 HB2 LEU 8 HB2 LEU 8 -0.337 16.789 -3.339 69 HB3 LEU 8 HB3 LEU 8 -1.384 15.391 -3.108 70 HG LEU 8 HG LEU 8 -0.262 16.062 -1.036 71 HD11 LEU 8 HD11 LEU 8 -0.877 13.727 -1.367 72 HD12 LEU 8 HD12 LEU 8 0.603 13.866 -0.419 73 HD13 LEU 8 HD13 LEU 8 0.687 13.414 -2.121 74 HD21 LEU 8 HD21 LEU 8 2.335 15.185 -2.257 75 HD22 LEU 8 HD22 LEU 8 2.058 16.059 -0.750 76 HD23 LEU 8 HD23 LEU 8 1.815 16.870 -2.298 77 HA PRO 9 HA PRO 9 -2.157 13.329 -7.267 78 HB2 PRO 9 HB2 PRO 9 -4.191 12.065 -5.988 79 HB3 PRO 9 HB3 PRO 9 -2.620 11.308 -6.277 80 HG2 PRO 9 HG2 PRO 9 -3.664 12.614 -3.794 81 HG3 PRO 9 HG3 PRO 9 -2.747 11.106 -3.964 82 HD2 PRO 9 HD2 PRO 9 -1.593 13.436 -3.209 83 HD3 PRO 9 HD3 PRO 9 -0.731 12.207 -4.156 84 H GLY 10 H GLY 10 -3.346 15.017 -4.433 85 HA2 GLY 10 HA2 GLY 10 -5.035 16.660 -6.147 86 HA3 GLY 10 HA3 GLY 10 -5.861 15.755 -4.887 87 H HIS 11 H HIS 11 -2.682 16.769 -4.137 88 HA HIS 11 HA HIS 11 -3.773 18.968 -2.505 89 HB2 HIS 11 HB2 HIS 11 -2.317 16.671 -1.712 90 HB3 HIS 11 HB3 HIS 11 -1.242 18.052 -1.513 91 HD1 HIS 11 HD1 HIS 11 -1.343 18.845 0.815 92 HD2 HIS 11 HD2 HIS 11 -5.062 17.573 -0.532 93 HE1 HIS 11 HE1 HIS 11 -2.924 19.244 2.730 94 H GLN 12 H GLN 12 -1.643 18.123 -4.996 95 HA GLN 12 HA GLN 12 0.493 19.847 -4.735 96 HB2 GLN 12 HB2 GLN 12 -0.171 18.125 -6.616 97 HB3 GLN 12 HB3 GLN 12 -0.810 19.558 -7.410 98 HG2 GLN 12 HG2 GLN 12 1.409 20.613 -7.225 99 HG3 GLN 12 HG3 GLN 12 2.030 19.123 -6.516 100 HE21 GLN 12 HE21 GLN 12 0.996 17.176 -8.004 101 HE22 GLN 12 HE22 GLN 12 1.489 17.316 -9.654 102 H LYS 13 H LYS 13 -2.809 20.550 -5.664 103 HA LYS 13 HA LYS 13 -2.322 23.195 -6.597 104 HB2 LYS 13 HB2 LYS 13 -4.771 21.663 -5.788 105 HB3 LYS 13 HB3 LYS 13 -4.872 23.391 -6.098 106 HG2 LYS 13 HG2 LYS 13 -3.610 21.603 -8.124 107 HG3 LYS 13 HG3 LYS 13 -5.369 21.687 -7.997 108 HD2 LYS 13 HD2 LYS 13 -5.377 24.015 -8.466 109 HD3 LYS 13 HD3 LYS 13 -3.625 24.126 -8.277 110 HE2 LYS 13 HE2 LYS 13 -3.263 23.512 -10.393 111 HE3 LYS 13 HE3 LYS 13 -4.403 22.172 -10.281 112 HZ1 LYS 13 HZ1 LYS 13 -5.374 24.945 -10.532 113 HZ2 LYS 13 HZ2 LYS 13 -6.159 23.502 -10.937 114 HZ3 LYS 13 HZ3 LYS 13 -4.896 24.078 -11.904 115 H ARG 14 H ARG 14 -3.218 21.806 -3.483 116 HA ARG 14 HA ARG 14 -3.833 24.172 -2.125 117 HB2 ARG 14 HB2 ARG 14 -4.017 21.641 -1.423 118 HB3 ARG 14 HB3 ARG 14 -2.435 21.937 -0.715 119 HG2 ARG 14 HG2 ARG 14 -4.066 24.077 0.086 120 HG3 ARG 14 HG3 ARG 14 -5.024 22.609 0.292 121 HD2 ARG 14 HD2 ARG 14 -3.895 22.835 2.322 122 HD3 ARG 14 HD3 ARG 14 -2.944 21.644 1.436 123 HE ARG 14 HE ARG 14 -1.844 24.128 0.883 124 HH11 ARG 14 HH11 ARG 14 -0.952 22.669 4.503 125 HH12 ARG 14 HH12 ARG 14 -2.345 22.084 3.656 126 HH21 ARG 14 HH21 ARG 14 0.378 24.275 3.554 127 HH22 ARG 14 HH22 ARG 14 -0.006 24.906 1.988 128 H ILE 15 H ILE 15 -0.822 22.926 -3.204 129 HA ILE 15 HA ILE 15 0.767 24.497 -1.357 130 HB ILE 15 HB ILE 15 1.616 22.879 -3.762 131 HG12 ILE 15 HG12 ILE 15 0.650 21.479 -2.017 132 HG13 ILE 15 HG13 ILE 15 2.394 21.245 -2.076 133 HG21 ILE 15 HG21 ILE 15 3.718 23.194 -1.914 134 HG22 ILE 15 HG22 ILE 15 3.604 23.839 -3.550 135 HG23 ILE 15 HG23 ILE 15 3.030 24.795 -2.184 136 HD11 ILE 15 HD11 ILE 15 0.874 22.899 -0.075 137 HD12 ILE 15 HD12 ILE 15 1.654 21.342 0.209 138 HD13 ILE 15 HD13 ILE 15 2.630 22.765 -0.156 139 H ALA 16 H ALA 16 0.039 24.488 -4.834 140 HA ALA 16 HA ALA 16 1.584 26.771 -5.465 141 HB1 ALA 16 HB1 ALA 16 -0.589 25.257 -6.839 142 HB2 ALA 16 HB2 ALA 16 -0.079 26.821 -7.478 143 HB3 ALA 16 HB3 ALA 16 1.089 25.508 -7.323 144 H TYR 17 H TYR 17 -1.514 26.376 -4.013 145 HA TYR 17 HA TYR 17 -2.288 29.138 -4.552 146 HB2 TYR 17 HB2 TYR 17 -3.851 27.029 -4.564 147 HB3 TYR 17 HB3 TYR 17 -3.882 27.283 -2.823 148 HD1 TYR 17 HD1 TYR 17 -4.752 28.765 -6.086 149 HD2 TYR 17 HD2 TYR 17 -5.114 29.088 -1.859 150 HE1 TYR 17 HE1 TYR 17 -6.505 30.466 -6.373 151 HE2 TYR 17 HE2 TYR 17 -6.869 30.789 -2.134 152 HH TYR 17 HH TYR 17 -8.229 31.539 -5.261 153 H SER 18 H SER 18 -0.953 27.162 -2.049 154 HA SER 18 HA SER 18 -1.526 29.035 0.075 155 HB2 SER 18 HB2 SER 18 -1.438 26.687 0.646 156 HB3 SER 18 HB3 SER 18 0.191 26.544 -0.015 157 HG SER 18 HG SER 18 -0.317 26.978 2.427 158 H LEU 19 H LEU 19 0.984 28.476 -2.224 159 HA LEU 19 HA LEU 19 2.951 30.033 -0.763 160 HB2 LEU 19 HB2 LEU 19 2.930 28.270 -3.093 161 HB3 LEU 19 HB3 LEU 19 3.952 29.692 -3.293 162 HG LEU 19 HG LEU 19 5.199 27.731 -2.489 163 HD11 LEU 19 HD11 LEU 19 6.248 28.849 -0.521 164 HD12 LEU 19 HD12 LEU 19 4.966 30.057 -0.590 165 HD13 LEU 19 HD13 LEU 19 6.083 29.880 -1.942 166 HD21 LEU 19 HD21 LEU 19 3.358 27.957 -0.113 167 HD22 LEU 19 HD22 LEU 19 4.840 27.000 -0.140 168 HD23 LEU 19 HD23 LEU 19 3.508 26.594 -1.223 169 H LEU 20 H LEU 20 0.949 30.334 -3.665 170 HA LEU 20 HA LEU 20 1.934 32.968 -4.275 171 HB2 LEU 20 HB2 LEU 20 0.621 30.989 -5.682 172 HB3 LEU 20 HB3 LEU 20 -0.607 32.238 -5.489 173 HG LEU 20 HG LEU 20 0.935 33.865 -6.533 174 HD11 LEU 20 HD11 LEU 20 2.774 31.620 -6.275 175 HD12 LEU 20 HD12 LEU 20 3.103 33.340 -6.483 176 HD13 LEU 20 HD13 LEU 20 2.762 32.332 -7.889 177 HD21 LEU 20 HD21 LEU 20 0.547 31.441 -8.277 178 HD22 LEU 20 HD22 LEU 20 0.591 33.134 -8.768 179 HD23 LEU 20 HD23 LEU 20 -0.763 32.528 -7.814 180 H GLY 21 H GLY 21 -0.051 31.851 -1.912 181 HA2 GLY 21 HA2 GLY 21 -1.802 34.220 -1.968 182 HA3 GLY 21 HA3 GLY 21 -2.115 32.751 -1.057 183 H LEU 22 H LEU 22 0.876 32.845 -0.325 184 HA LEU 22 HA LEU 22 0.579 34.825 1.838 185 HB2 LEU 22 HB2 LEU 22 0.873 32.100 2.065 186 HB3 LEU 22 HB3 LEU 22 2.517 32.692 2.292 187 HG LEU 22 HG LEU 22 0.277 33.884 3.874 188 HD11 LEU 22 HD11 LEU 22 1.758 31.627 5.072 189 HD12 LEU 22 HD12 LEU 22 0.506 31.220 3.899 190 HD13 LEU 22 HD13 LEU 22 0.098 32.166 5.330 191 HD21 LEU 22 HD21 LEU 22 3.150 34.030 3.792 192 HD22 LEU 22 HD22 LEU 22 2.598 33.508 5.384 193 HD23 LEU 22 HD23 LEU 22 2.001 35.018 4.695 194 H LYS 23 H LYS 23 2.567 33.619 -0.717 195 HA LYS 23 HA LYS 23 4.805 35.328 0.100 196 HB2 LYS 23 HB2 LYS 23 4.967 32.823 -0.714 197 HB3 LYS 23 HB3 LYS 23 4.906 33.561 -2.309 198 HG2 LYS 23 HG2 LYS 23 7.185 33.299 -1.799 199 HG3 LYS 23 HG3 LYS 23 6.835 35.015 -1.574 200 HD2 LYS 23 HD2 LYS 23 8.106 34.457 0.302 201 HD3 LYS 23 HD3 LYS 23 6.443 34.397 0.893 202 HE2 LYS 23 HE2 LYS 23 6.588 32.218 1.355 203 HE3 LYS 23 HE3 LYS 23 7.321 31.856 -0.207 204 HZ1 LYS 23 HZ1 LYS 23 9.461 32.507 0.664 205 HZ2 LYS 23 HZ2 LYS 23 8.787 31.311 1.652 206 HZ3 LYS 23 HZ3 LYS 23 8.774 32.927 2.153 207 H ASP 24 H ASP 24 2.052 35.642 -1.605 208 HA ASP 24 HA ASP 24 3.268 37.531 -3.514 209 HB2 ASP 24 HB2 ASP 24 1.710 35.339 -4.140 210 HB3 ASP 24 HB3 ASP 24 0.549 36.664 -4.157 211 H GLN 25 H GLN 25 0.742 36.941 -1.171 212 HA GLN 25 HA GLN 25 -0.291 39.657 -1.504 213 HB2 GLN 25 HB2 GLN 25 -1.466 37.177 -0.800 214 HB3 GLN 25 HB3 GLN 25 -1.589 38.222 0.609 215 HG2 GLN 25 HG2 GLN 25 -3.555 38.355 -0.853 216 HG3 GLN 25 HG3 GLN 25 -2.731 39.904 -0.676 217 HE21 GLN 25 HE21 GLN 25 -3.986 40.389 -2.632 218 HE22 GLN 25 HE22 GLN 25 -3.311 39.971 -4.167 219 H VAL 26 H VAL 26 2.354 38.981 -0.305 220 HA VAL 26 HA VAL 26 3.661 39.546 1.479 221 HB VAL 26 HB VAL 26 1.534 41.673 1.752 222 HG11 VAL 26 HG11 VAL 26 3.838 42.745 2.749 223 HG12 VAL 26 HG12 VAL 26 2.521 42.088 3.721 224 HG13 VAL 26 HG13 VAL 26 3.921 41.086 3.338 225 HG21 VAL 26 HG21 VAL 26 3.017 41.376 -0.386 226 HG22 VAL 26 HG22 VAL 26 2.751 42.978 0.300 227 HG23 VAL 26 HG23 VAL 26 4.258 42.121 0.622 228 HN1 NH2 27 HN1 NH2 27 3.306 37.630 2.684 229 HN2 NH2 27 HN2 NH2 27 2.318 37.625 4.106 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 0.046 10.976 -10.173 2 H2 ACE 1 H2 ACE 1 0.939 9.572 -10.805 3 H3 ACE 1 H3 ACE 1 -0.551 9.328 -9.862 4 H LYS 2 H LYS 2 2.772 9.460 -9.796 5 HA LYS 2 HA LYS 2 4.316 9.230 -8.142 6 HB2 LYS 2 HB2 LYS 2 2.523 11.147 -6.641 7 HB3 LYS 2 HB3 LYS 2 4.211 10.808 -6.283 8 HG2 LYS 2 HG2 LYS 2 4.913 11.821 -8.338 9 HG3 LYS 2 HG3 LYS 2 3.240 12.011 -8.866 10 HD2 LYS 2 HD2 LYS 2 3.036 13.934 -7.757 11 HD3 LYS 2 HD3 LYS 2 3.654 13.209 -6.271 12 HE2 LYS 2 HE2 LYS 2 5.821 13.835 -6.709 13 HE3 LYS 2 HE3 LYS 2 5.571 13.873 -8.454 14 HZ1 LYS 2 HZ1 LYS 2 4.186 15.880 -8.105 15 HZ2 LYS 2 HZ2 LYS 2 5.808 16.097 -7.675 16 HZ3 LYS 2 HZ3 LYS 2 4.637 15.877 -6.474 17 H ARG 3 H ARG 3 3.213 7.013 -8.076 18 HA ARG 3 HA ARG 3 1.868 6.535 -5.517 19 HB2 ARG 3 HB2 ARG 3 1.484 5.494 -8.091 20 HB3 ARG 3 HB3 ARG 3 2.201 4.182 -7.166 21 HG2 ARG 3 HG2 ARG 3 -0.226 5.739 -6.303 22 HG3 ARG 3 HG3 ARG 3 -0.275 4.192 -7.151 23 HD2 ARG 3 HD2 ARG 3 0.970 3.153 -5.316 24 HD3 ARG 3 HD3 ARG 3 1.013 4.700 -4.471 25 HE ARG 3 HE ARG 3 -1.656 3.995 -5.056 26 HH11 ARG 3 HH11 ARG 3 -0.030 2.539 -1.700 27 HH12 ARG 3 HH12 ARG 3 0.992 3.125 -2.971 28 HH21 ARG 3 HH21 ARG 3 -2.308 2.597 -1.941 29 HH22 ARG 3 HH22 ARG 3 -3.012 3.227 -3.391 30 H ILE 4 H ILE 4 4.847 6.993 -6.097 31 HA ILE 4 HA ILE 4 5.773 4.777 -4.423 32 HB ILE 4 HB ILE 4 7.347 5.709 -6.820 33 HG12 ILE 4 HG12 ILE 4 6.744 3.185 -7.459 34 HG13 ILE 4 HG13 ILE 4 5.308 3.562 -6.514 35 HG21 ILE 4 HG21 ILE 4 7.718 3.477 -4.835 36 HG22 ILE 4 HG22 ILE 4 8.629 3.610 -6.338 37 HG23 ILE 4 HG23 ILE 4 8.770 4.865 -5.107 38 HD11 ILE 4 HD11 ILE 4 6.091 4.446 -9.180 39 HD12 ILE 4 HD12 ILE 4 4.493 4.322 -8.443 40 HD13 ILE 4 HD13 ILE 4 5.498 5.739 -8.138 41 H GLY 5 H GLY 5 6.149 5.981 -2.629 42 HA2 GLY 5 HA2 GLY 5 7.630 7.201 -1.291 43 HA3 GLY 5 HA3 GLY 5 8.395 7.824 -2.746 44 H VAL 6 H VAL 6 6.498 8.620 -0.151 45 HA VAL 6 HA VAL 6 5.677 11.120 -1.448 46 HB VAL 6 HB VAL 6 3.879 9.603 0.443 47 HG11 VAL 6 HG11 VAL 6 3.094 11.875 -1.345 48 HG12 VAL 6 HG12 VAL 6 2.298 11.278 0.112 49 HG13 VAL 6 HG13 VAL 6 3.813 12.173 0.238 50 HG21 VAL 6 HG21 VAL 6 4.092 8.410 -1.685 51 HG22 VAL 6 HG22 VAL 6 2.483 9.105 -1.493 52 HG23 VAL 6 HG23 VAL 6 3.658 9.882 -2.553 53 H ARG 7 H ARG 7 7.770 11.586 -0.243 54 HA ARG 7 HA ARG 7 7.162 12.277 2.557 55 HB2 ARG 7 HB2 ARG 7 9.715 11.373 1.257 56 HB3 ARG 7 HB3 ARG 7 9.746 12.305 2.748 57 HG2 ARG 7 HG2 ARG 7 7.934 10.364 3.352 58 HG3 ARG 7 HG3 ARG 7 9.053 9.503 2.293 59 HD2 ARG 7 HD2 ARG 7 10.910 10.057 3.686 60 HD3 ARG 7 HD3 ARG 7 9.930 11.163 4.647 61 HE ARG 7 HE ARG 7 8.827 8.573 4.762 62 HH11 ARG 7 HH11 ARG 7 11.775 9.448 7.325 63 HH12 ARG 7 HH12 ARG 7 11.560 10.406 5.897 64 HH21 ARG 7 HH21 ARG 7 10.375 7.684 7.745 65 HH22 ARG 7 HH22 ARG 7 9.099 7.305 6.638 66 H LEU 8 H LEU 8 6.352 13.980 0.553 67 HA LEU 8 HA LEU 8 8.289 15.981 -0.045 68 HB2 LEU 8 HB2 LEU 8 5.346 16.505 -0.015 69 HB3 LEU 8 HB3 LEU 8 6.579 17.136 -1.105 70 HG LEU 8 HG LEU 8 6.596 14.419 -1.613 71 HD11 LEU 8 HD11 LEU 8 4.519 13.534 -1.547 72 HD12 LEU 8 HD12 LEU 8 3.727 15.086 -1.817 73 HD13 LEU 8 HD13 LEU 8 4.329 14.672 -0.213 74 HD21 LEU 8 HD21 LEU 8 5.184 16.692 -3.001 75 HD22 LEU 8 HD22 LEU 8 5.425 15.095 -3.710 76 HD23 LEU 8 HD23 LEU 8 6.818 16.098 -3.303 77 HA PRO 9 HA PRO 9 8.255 18.447 3.588 78 HB2 PRO 9 HB2 PRO 9 8.591 20.928 2.538 79 HB3 PRO 9 HB3 PRO 9 9.884 19.724 2.591 80 HG2 PRO 9 HG2 PRO 9 8.088 20.476 0.317 81 HG3 PRO 9 HG3 PRO 9 9.833 20.165 0.308 82 HD2 PRO 9 HD2 PRO 9 8.020 18.324 -0.502 83 HD3 PRO 9 HD3 PRO 9 9.552 17.877 0.276 84 H GLY 10 H GLY 10 7.206 20.428 4.571 85 HA2 GLY 10 HA2 GLY 10 4.391 20.533 3.695 86 HA3 GLY 10 HA3 GLY 10 4.937 20.765 5.349 87 H HIS 11 H HIS 11 6.901 22.270 3.016 88 HA HIS 11 HA HIS 11 5.836 24.879 3.813 89 HB2 HIS 11 HB2 HIS 11 8.377 24.052 3.858 90 HB3 HIS 11 HB3 HIS 11 8.330 24.653 2.203 91 HD1 HIS 11 HD1 HIS 11 8.680 27.097 1.913 92 HD2 HIS 11 HD2 HIS 11 7.628 26.118 5.811 93 HE1 HIS 11 HE1 HIS 11 8.884 29.235 3.222 94 H GLN 12 H GLN 12 6.075 22.764 1.111 95 HA GLN 12 HA GLN 12 5.980 24.514 -1.040 96 HB2 GLN 12 HB2 GLN 12 4.820 22.671 -2.250 97 HB3 GLN 12 HB3 GLN 12 6.269 22.153 -1.398 98 HG2 GLN 12 HG2 GLN 12 4.731 21.440 0.486 99 HG3 GLN 12 HG3 GLN 12 3.404 21.675 -0.651 100 HE21 GLN 12 HE21 GLN 12 2.844 19.511 -0.642 101 HE22 GLN 12 HE22 GLN 12 3.808 18.300 -1.409 102 H LYS 13 H LYS 13 3.295 23.181 0.865 103 HA LYS 13 HA LYS 13 1.205 24.378 -0.560 104 HB2 LYS 13 HB2 LYS 13 1.542 23.011 1.988 105 HB3 LYS 13 HB3 LYS 13 0.330 24.282 2.077 106 HG2 LYS 13 HG2 LYS 13 -1.089 23.225 0.641 107 HG3 LYS 13 HG3 LYS 13 0.216 22.405 -0.221 108 HD2 LYS 13 HD2 LYS 13 0.529 21.161 2.064 109 HD3 LYS 13 HD3 LYS 13 -1.142 21.660 2.333 110 HE2 LYS 13 HE2 LYS 13 -1.097 20.660 -0.268 111 HE3 LYS 13 HE3 LYS 13 -0.089 19.551 0.660 112 HZ1 LYS 13 HZ1 LYS 13 -2.946 20.164 0.972 113 HZ2 LYS 13 HZ2 LYS 13 -2.061 19.661 2.322 114 HZ3 LYS 13 HZ3 LYS 13 -2.166 18.663 0.961 115 H ARG 14 H ARG 14 3.159 25.569 2.129 116 HA ARG 14 HA ARG 14 1.710 27.884 2.714 117 HB2 ARG 14 HB2 ARG 14 3.444 27.146 4.202 118 HB3 ARG 14 HB3 ARG 14 4.662 27.294 2.942 119 HG2 ARG 14 HG2 ARG 14 3.207 29.770 3.515 120 HG3 ARG 14 HG3 ARG 14 4.170 29.150 4.857 121 HD2 ARG 14 HD2 ARG 14 6.132 29.542 3.805 122 HD3 ARG 14 HD3 ARG 14 5.481 29.135 2.218 123 HE ARG 14 HE ARG 14 5.028 31.351 1.879 124 HH11 ARG 14 HH11 ARG 14 5.557 32.496 5.678 125 HH12 ARG 14 HH12 ARG 14 5.577 30.811 5.274 126 HH21 ARG 14 HH21 ARG 14 5.229 34.065 4.042 127 HH22 ARG 14 HH22 ARG 14 5.000 33.571 2.398 128 H ILE 15 H ILE 15 3.700 27.110 0.019 129 HA ILE 15 HA ILE 15 4.127 29.873 -0.754 130 HB ILE 15 HB ILE 15 4.760 27.315 -2.231 131 HG12 ILE 15 HG12 ILE 15 6.914 29.047 -1.192 132 HG13 ILE 15 HG13 ILE 15 5.954 28.228 0.036 133 HG21 ILE 15 HG21 ILE 15 5.311 30.199 -2.850 134 HG22 ILE 15 HG22 ILE 15 6.307 28.901 -3.507 135 HG23 ILE 15 HG23 ILE 15 4.585 28.965 -3.881 136 HD11 ILE 15 HD11 ILE 15 6.840 26.231 -0.435 137 HD12 ILE 15 HD12 ILE 15 6.827 26.518 -2.175 138 HD13 ILE 15 HD13 ILE 15 8.126 27.178 -1.182 139 H ALA 16 H ALA 16 2.246 27.084 -1.874 140 HA ALA 16 HA ALA 16 1.083 28.386 -4.104 141 HB1 ALA 16 HB1 ALA 16 -0.346 26.176 -2.709 142 HB2 ALA 16 HB2 ALA 16 -0.112 26.458 -4.434 143 HB3 ALA 16 HB3 ALA 16 1.219 25.846 -3.452 144 H TYR 17 H TYR 17 0.424 28.482 -0.727 145 HA TYR 17 HA TYR 17 -2.249 29.590 -1.134 146 HB2 TYR 17 HB2 TYR 17 -1.847 27.891 0.654 147 HB3 TYR 17 HB3 TYR 17 -0.799 29.049 1.465 148 HD1 TYR 17 HD1 TYR 17 -1.705 30.862 2.733 149 HD2 TYR 17 HD2 TYR 17 -4.279 28.323 0.491 150 HE1 TYR 17 HE1 TYR 17 -3.651 31.818 3.896 151 HE2 TYR 17 HE2 TYR 17 -6.232 29.272 1.646 152 HH TYR 17 HH TYR 17 -6.887 30.523 3.428 153 H SER 18 H SER 18 0.990 30.541 -0.334 154 HA SER 18 HA SER 18 0.284 33.116 0.720 155 HB2 SER 18 HB2 SER 18 2.341 32.209 1.499 156 HB3 SER 18 HB3 SER 18 2.900 31.879 -0.140 157 HG SER 18 HG SER 18 3.541 33.881 -0.326 158 H LEU 19 H LEU 19 0.922 31.782 -2.411 159 HA LEU 19 HA LEU 19 1.303 34.378 -3.652 160 HB2 LEU 19 HB2 LEU 19 1.768 31.620 -4.359 161 HB3 LEU 19 HB3 LEU 19 0.901 32.461 -5.643 162 HG LEU 19 HG LEU 19 2.714 34.185 -5.626 163 HD11 LEU 19 HD11 LEU 19 4.156 32.176 -3.904 164 HD12 LEU 19 HD12 LEU 19 3.517 33.719 -3.338 165 HD13 LEU 19 HD13 LEU 19 4.807 33.687 -4.540 166 HD21 LEU 19 HD21 LEU 19 2.569 31.820 -6.936 167 HD22 LEU 19 HD22 LEU 19 4.150 31.678 -6.165 168 HD23 LEU 19 HD23 LEU 19 3.805 33.044 -7.227 169 H LEU 20 H LEU 20 -1.144 31.829 -3.527 170 HA LEU 20 HA LEU 20 -2.940 33.230 -5.287 171 HB2 LEU 20 HB2 LEU 20 -2.904 30.666 -3.838 172 HB3 LEU 20 HB3 LEU 20 -4.498 31.375 -4.087 173 HG LEU 20 HG LEU 20 -4.004 29.777 -5.836 174 HD11 LEU 20 HD11 LEU 20 -3.698 32.420 -7.187 175 HD12 LEU 20 HD12 LEU 20 -5.150 32.080 -6.247 176 HD13 LEU 20 HD13 LEU 20 -4.723 31.049 -7.613 177 HD21 LEU 20 HD21 LEU 20 -2.162 30.216 -7.432 178 HD22 LEU 20 HD22 LEU 20 -1.597 29.815 -5.809 179 HD23 LEU 20 HD23 LEU 20 -1.579 31.491 -6.361 180 H GLY 21 H GLY 21 -2.022 33.778 -2.184 181 HA2 GLY 21 HA2 GLY 21 -4.695 34.657 -1.314 182 HA3 GLY 21 HA3 GLY 21 -3.316 34.398 -0.256 183 H LEU 22 H LEU 22 -1.628 35.833 -2.357 184 HA LEU 22 HA LEU 22 -2.377 38.557 -1.526 185 HB2 LEU 22 HB2 LEU 22 -0.041 37.204 -1.046 186 HB3 LEU 22 HB3 LEU 22 0.359 38.160 -2.472 187 HG LEU 22 HG LEU 22 -0.391 40.192 -1.213 188 HD11 LEU 22 HD11 LEU 22 -1.016 40.145 0.975 189 HD12 LEU 22 HD12 LEU 22 -0.112 38.671 1.321 190 HD13 LEU 22 HD13 LEU 22 -1.650 38.580 0.463 191 HD21 LEU 22 HD21 LEU 22 1.737 40.518 -0.610 192 HD22 LEU 22 HD22 LEU 22 2.019 38.883 -1.211 193 HD23 LEU 22 HD23 LEU 22 1.724 39.154 0.508 194 H LYS 23 H LYS 23 -1.640 36.480 -4.190 195 HA LYS 23 HA LYS 23 -1.551 38.733 -6.058 196 HB2 LYS 23 HB2 LYS 23 -1.217 35.810 -6.723 197 HB3 LYS 23 HB3 LYS 23 -0.737 37.198 -7.691 198 HG2 LYS 23 HG2 LYS 23 0.468 36.473 -5.029 199 HG3 LYS 23 HG3 LYS 23 1.157 36.050 -6.598 200 HD2 LYS 23 HD2 LYS 23 1.782 38.205 -7.056 201 HD3 LYS 23 HD3 LYS 23 0.489 38.903 -6.079 202 HE2 LYS 23 HE2 LYS 23 1.831 39.074 -4.312 203 HE3 LYS 23 HE3 LYS 23 2.300 37.380 -4.436 204 HZ1 LYS 23 HZ1 LYS 23 3.566 38.814 -6.486 205 HZ2 LYS 23 HZ2 LYS 23 4.272 38.010 -5.176 206 HZ3 LYS 23 HZ3 LYS 23 3.831 39.637 -5.031 207 H ASP 24 H ASP 24 -3.836 36.852 -4.640 208 HA ASP 24 HA ASP 24 -5.609 36.992 -6.991 209 HB2 ASP 24 HB2 ASP 24 -4.959 34.704 -5.764 210 HB3 ASP 24 HB3 ASP 24 -6.296 35.190 -4.726 211 H GLN 25 H GLN 25 -5.183 37.705 -3.609 212 HA GLN 25 HA GLN 25 -7.894 38.562 -3.185 213 HB2 GLN 25 HB2 GLN 25 -5.369 38.779 -1.557 214 HB3 GLN 25 HB3 GLN 25 -6.878 39.522 -1.043 215 HG2 GLN 25 HG2 GLN 25 -6.622 36.595 -1.670 216 HG3 GLN 25 HG3 GLN 25 -6.362 37.267 -0.061 217 HE21 GLN 25 HE21 GLN 25 -8.198 38.715 0.695 218 HE22 GLN 25 HE22 GLN 25 -9.798 38.129 0.410 219 H VAL 26 H VAL 26 -5.223 39.900 -4.713 220 HA VAL 26 HA VAL 26 -5.346 42.603 -4.013 221 HB VAL 26 HB VAL 26 -4.432 43.006 -6.348 222 HG11 VAL 26 HG11 VAL 26 -2.407 41.306 -5.696 223 HG12 VAL 26 HG12 VAL 26 -2.651 42.903 -4.986 224 HG13 VAL 26 HG13 VAL 26 -3.247 41.466 -4.154 225 HG21 VAL 26 HG21 VAL 26 -4.283 40.005 -6.483 226 HG22 VAL 26 HG22 VAL 26 -5.562 40.930 -7.269 227 HG23 VAL 26 HG23 VAL 26 -3.880 41.177 -7.738 228 HN1 NH2 27 HN1 NH2 27 -7.395 40.659 -6.073 229 HN2 NH2 27 HN2 NH2 27 -8.469 41.925 -6.566 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 9.610 11.082 -10.519 2 H2 ACE 1 H2 ACE 1 10.943 10.325 -9.613 3 H3 ACE 1 H3 ACE 1 10.798 10.065 -11.368 4 H LYS 2 H LYS 2 9.956 9.014 -8.273 5 HA LYS 2 HA LYS 2 8.328 6.861 -9.433 6 HB2 LYS 2 HB2 LYS 2 8.927 5.540 -7.498 7 HB3 LYS 2 HB3 LYS 2 10.388 6.212 -8.212 8 HG2 LYS 2 HG2 LYS 2 9.914 8.120 -6.424 9 HG3 LYS 2 HG3 LYS 2 9.112 6.779 -5.602 10 HD2 LYS 2 HD2 LYS 2 11.194 6.429 -4.783 11 HD3 LYS 2 HD3 LYS 2 11.398 5.565 -6.309 12 HE2 LYS 2 HE2 LYS 2 12.556 7.352 -7.292 13 HE3 LYS 2 HE3 LYS 2 12.013 8.493 -6.062 14 HZ1 LYS 2 HZ1 LYS 2 14.400 7.622 -5.945 15 HZ2 LYS 2 HZ2 LYS 2 13.719 6.196 -5.342 16 HZ3 LYS 2 HZ3 LYS 2 13.498 7.654 -4.514 17 H ARG 3 H ARG 3 8.222 9.556 -7.297 18 HA ARG 3 HA ARG 3 5.399 9.412 -7.045 19 HB2 ARG 3 HB2 ARG 3 6.997 8.139 -4.977 20 HB3 ARG 3 HB3 ARG 3 5.995 9.429 -4.326 21 HG2 ARG 3 HG2 ARG 3 4.743 7.457 -6.164 22 HG3 ARG 3 HG3 ARG 3 5.110 6.964 -4.510 23 HD2 ARG 3 HD2 ARG 3 3.943 9.314 -4.004 24 HD3 ARG 3 HD3 ARG 3 3.134 8.923 -5.522 25 HE ARG 3 HE ARG 3 2.681 7.714 -2.985 26 HH11 ARG 3 HH11 ARG 3 1.588 5.776 -6.314 27 HH12 ARG 3 HH12 ARG 3 2.724 7.081 -6.409 28 HH21 ARG 3 HH21 ARG 3 0.713 5.161 -4.288 29 HH22 ARG 3 HH22 ARG 3 1.185 5.997 -2.848 30 H ILE 4 H ILE 4 5.286 11.518 -7.645 31 HA ILE 4 HA ILE 4 6.953 13.601 -6.947 32 HB ILE 4 HB ILE 4 3.977 13.742 -7.446 33 HG12 ILE 4 HG12 ILE 4 5.725 14.651 -9.576 34 HG13 ILE 4 HG13 ILE 4 6.055 12.975 -9.152 35 HG21 ILE 4 HG21 ILE 4 6.077 15.828 -7.120 36 HG22 ILE 4 HG22 ILE 4 4.771 16.104 -8.271 37 HG23 ILE 4 HG23 ILE 4 4.401 15.818 -6.571 38 HD11 ILE 4 HD11 ILE 4 4.427 12.571 -10.639 39 HD12 ILE 4 HD12 ILE 4 3.368 12.919 -9.272 40 HD13 ILE 4 HD13 ILE 4 3.716 14.175 -10.460 41 H GLY 5 H GLY 5 4.405 12.112 -5.087 42 HA2 GLY 5 HA2 GLY 5 4.527 12.246 -2.673 43 HA3 GLY 5 HA3 GLY 5 5.099 13.899 -2.846 44 H VAL 6 H VAL 6 2.502 12.073 -2.005 45 HA VAL 6 HA VAL 6 0.587 14.180 -2.770 46 HB VAL 6 HB VAL 6 -0.068 11.325 -2.035 47 HG11 VAL 6 HG11 VAL 6 -1.694 13.668 -2.964 48 HG12 VAL 6 HG12 VAL 6 -2.251 12.009 -3.192 49 HG13 VAL 6 HG13 VAL 6 -1.953 12.625 -1.566 50 HG21 VAL 6 HG21 VAL 6 0.971 11.042 -4.074 51 HG22 VAL 6 HG22 VAL 6 -0.699 11.319 -4.568 52 HG23 VAL 6 HG23 VAL 6 0.478 12.628 -4.667 53 H ARG 7 H ARG 7 2.089 12.493 -0.177 54 HA ARG 7 HA ARG 7 0.225 13.701 1.754 55 HB2 ARG 7 HB2 ARG 7 2.037 11.304 1.919 56 HB3 ARG 7 HB3 ARG 7 1.401 12.074 3.367 57 HG2 ARG 7 HG2 ARG 7 -0.902 11.749 2.322 58 HG3 ARG 7 HG3 ARG 7 -0.097 10.657 1.193 59 HD2 ARG 7 HD2 ARG 7 -0.226 9.031 2.697 60 HD3 ARG 7 HD3 ARG 7 0.784 9.978 3.789 61 HE ARG 7 HE ARG 7 -1.913 10.841 3.910 62 HH11 ARG 7 HH11 ARG 7 -0.736 7.871 6.322 63 HH12 ARG 7 HH12 ARG 7 0.207 8.273 4.925 64 HH21 ARG 7 HH21 ARG 7 -2.653 9.036 6.788 65 HH22 ARG 7 HH22 ARG 7 -3.162 10.322 5.746 66 H LEU 8 H LEU 8 1.872 15.519 0.725 67 HA LEU 8 HA LEU 8 4.379 15.745 2.059 68 HB2 LEU 8 HB2 LEU 8 2.888 18.092 0.961 69 HB3 LEU 8 HB3 LEU 8 4.623 17.784 0.978 70 HG LEU 8 HG LEU 8 3.598 15.764 -0.622 71 HD11 LEU 8 HD11 LEU 8 2.056 16.653 -2.110 72 HD12 LEU 8 HD12 LEU 8 2.365 18.311 -1.597 73 HD13 LEU 8 HD13 LEU 8 1.468 17.216 -0.545 74 HD21 LEU 8 HD21 LEU 8 4.989 16.650 -2.208 75 HD22 LEU 8 HD22 LEU 8 5.625 17.436 -0.763 76 HD23 LEU 8 HD23 LEU 8 4.536 18.314 -1.838 77 HA PRO 9 HA PRO 9 3.239 17.472 5.931 78 HB2 PRO 9 HB2 PRO 9 5.332 19.138 6.397 79 HB3 PRO 9 HB3 PRO 9 5.465 17.378 6.491 80 HG2 PRO 9 HG2 PRO 9 6.240 19.219 4.261 81 HG3 PRO 9 HG3 PRO 9 7.118 17.826 4.918 82 HD2 PRO 9 HD2 PRO 9 5.667 17.689 2.636 83 HD3 PRO 9 HD3 PRO 9 5.848 16.308 3.737 84 H GLY 10 H GLY 10 3.419 19.820 7.062 85 HA2 GLY 10 HA2 GLY 10 1.852 21.570 5.304 86 HA3 GLY 10 HA3 GLY 10 1.891 21.640 7.060 87 H HIS 11 H HIS 11 4.950 21.290 5.617 88 HA HIS 11 HA HIS 11 5.609 24.038 6.336 89 HB2 HIS 11 HB2 HIS 11 7.021 21.514 6.296 90 HB3 HIS 11 HB3 HIS 11 7.926 22.747 5.422 91 HD1 HIS 11 HD1 HIS 11 7.022 21.639 8.810 92 HD2 HIS 11 HD2 HIS 11 8.644 25.024 7.029 93 HE1 HIS 11 HE1 HIS 11 8.030 22.970 10.690 94 H GLN 12 H GLN 12 5.092 22.079 3.556 95 HA GLN 12 HA GLN 12 6.330 24.087 1.809 96 HB2 GLN 12 HB2 GLN 12 6.331 21.295 1.727 97 HB3 GLN 12 HB3 GLN 12 5.233 21.778 0.442 98 HG2 GLN 12 HG2 GLN 12 6.930 23.103 -0.599 99 HG3 GLN 12 HG3 GLN 12 8.025 22.848 0.759 100 HE21 GLN 12 HE21 GLN 12 9.012 22.280 -1.619 101 HE22 GLN 12 HE22 GLN 12 9.104 20.576 -1.887 102 H LYS 13 H LYS 13 3.288 22.686 2.733 103 HA LYS 13 HA LYS 13 1.738 23.593 0.546 104 HB2 LYS 13 HB2 LYS 13 1.297 22.193 2.989 105 HB3 LYS 13 HB3 LYS 13 0.149 23.523 2.912 106 HG2 LYS 13 HG2 LYS 13 0.538 21.383 0.830 107 HG3 LYS 13 HG3 LYS 13 -0.809 21.517 1.962 108 HD2 LYS 13 HD2 LYS 13 -0.868 23.967 0.804 109 HD3 LYS 13 HD3 LYS 13 -0.277 22.981 -0.536 110 HE2 LYS 13 HE2 LYS 13 -2.244 21.394 0.220 111 HE3 LYS 13 HE3 LYS 13 -2.890 22.890 0.892 112 HZ1 LYS 13 HZ1 LYS 13 -2.885 23.892 -1.241 113 HZ2 LYS 13 HZ2 LYS 13 -3.619 22.378 -1.417 114 HZ3 LYS 13 HZ3 LYS 13 -2.024 22.609 -1.930 115 H ARG 14 H ARG 14 2.588 25.028 3.657 116 HA ARG 14 HA ARG 14 0.889 27.248 3.570 117 HB2 ARG 14 HB2 ARG 14 2.269 26.465 5.533 118 HB3 ARG 14 HB3 ARG 14 3.663 27.208 4.760 119 HG2 ARG 14 HG2 ARG 14 1.828 29.241 4.750 120 HG3 ARG 14 HG3 ARG 14 1.492 28.420 6.275 121 HD2 ARG 14 HD2 ARG 14 3.118 30.043 6.783 122 HD3 ARG 14 HD3 ARG 14 3.991 28.513 6.706 123 HE ARG 14 HE ARG 14 4.171 29.584 4.184 124 HH11 ARG 14 HH11 ARG 14 6.403 31.530 6.879 125 HH12 ARG 14 HH12 ARG 14 5.053 30.578 7.402 126 HH21 ARG 14 HH21 ARG 14 6.909 31.676 4.649 127 HH22 ARG 14 HH22 ARG 14 5.946 30.834 3.483 128 H ILE 15 H ILE 15 3.716 26.517 1.763 129 HA ILE 15 HA ILE 15 4.257 29.271 1.036 130 HB ILE 15 HB ILE 15 5.453 26.709 -0.028 131 HG12 ILE 15 HG12 ILE 15 6.771 28.703 1.804 132 HG13 ILE 15 HG13 ILE 15 5.816 27.367 2.436 133 HG21 ILE 15 HG21 ILE 15 7.293 28.490 -0.645 134 HG22 ILE 15 HG22 ILE 15 5.930 28.173 -1.717 135 HG23 ILE 15 HG23 ILE 15 5.907 29.580 -0.655 136 HD11 ILE 15 HD11 ILE 15 7.904 26.459 2.492 137 HD12 ILE 15 HD12 ILE 15 7.385 25.945 0.886 138 HD13 ILE 15 HD13 ILE 15 8.448 27.340 1.065 139 H ALA 16 H ALA 16 3.037 26.335 -0.547 140 HA ALA 16 HA ALA 16 2.610 27.520 -3.079 141 HB1 ALA 16 HB1 ALA 16 2.264 24.962 -1.892 142 HB2 ALA 16 HB2 ALA 16 0.762 25.405 -2.705 143 HB3 ALA 16 HB3 ALA 16 2.280 25.391 -3.602 144 H TYR 17 H TYR 17 0.839 27.616 -0.127 145 HA TYR 17 HA TYR 17 -1.603 28.523 -1.444 146 HB2 TYR 17 HB2 TYR 17 -1.468 26.912 0.601 147 HB3 TYR 17 HB3 TYR 17 -1.236 28.388 1.532 148 HD1 TYR 17 HD1 TYR 17 -3.050 29.898 1.931 149 HD2 TYR 17 HD2 TYR 17 -3.587 26.528 -0.610 150 HE1 TYR 17 HE1 TYR 17 -5.484 30.251 1.987 151 HE2 TYR 17 HE2 TYR 17 -6.022 26.872 -0.561 152 HH TYR 17 HH TYR 17 -7.586 28.629 1.638 153 H SER 18 H SER 18 1.143 29.746 0.264 154 HA SER 18 HA SER 18 -0.056 32.305 0.862 155 HB2 SER 18 HB2 SER 18 1.575 31.661 2.433 156 HB3 SER 18 HB3 SER 18 2.709 31.156 1.180 157 HG SER 18 HG SER 18 1.895 33.827 1.696 158 H LEU 19 H LEU 19 1.713 30.863 -1.725 159 HA LEU 19 HA LEU 19 2.479 33.403 -2.899 160 HB2 LEU 19 HB2 LEU 19 3.228 30.648 -3.205 161 HB3 LEU 19 HB3 LEU 19 2.813 31.337 -4.773 162 HG LEU 19 HG LEU 19 4.482 33.092 -4.452 163 HD11 LEU 19 HD11 LEU 19 4.814 31.763 -1.787 164 HD12 LEU 19 HD12 LEU 19 4.590 33.472 -2.158 165 HD13 LEU 19 HD13 LEU 19 6.126 32.685 -2.522 166 HD21 LEU 19 HD21 LEU 19 5.614 31.527 -5.593 167 HD22 LEU 19 HD22 LEU 19 5.108 30.227 -4.513 168 HD23 LEU 19 HD23 LEU 19 6.460 31.268 -4.067 169 H LEU 20 H LEU 20 0.291 30.710 -3.666 170 HA LEU 20 HA LEU 20 -0.794 31.951 -5.988 171 HB2 LEU 20 HB2 LEU 20 -0.866 29.437 -4.898 172 HB3 LEU 20 HB3 LEU 20 -2.509 30.014 -4.627 173 HG LEU 20 HG LEU 20 -1.755 30.575 -7.328 174 HD11 LEU 20 HD11 LEU 20 -1.474 27.677 -6.553 175 HD12 LEU 20 HD12 LEU 20 -0.134 28.737 -6.987 176 HD13 LEU 20 HD13 LEU 20 -1.378 28.357 -8.177 177 HD21 LEU 20 HD21 LEU 20 -3.787 29.546 -7.819 178 HD22 LEU 20 HD22 LEU 20 -4.030 30.191 -6.195 179 HD23 LEU 20 HD23 LEU 20 -3.692 28.474 -6.421 180 H GLY 21 H GLY 21 -1.374 32.277 -2.620 181 HA2 GLY 21 HA2 GLY 21 -4.079 33.224 -2.829 182 HA3 GLY 21 HA3 GLY 21 -3.045 33.321 -1.411 183 H LEU 22 H LEU 22 -0.905 34.698 -2.880 184 HA LEU 22 HA LEU 22 -2.112 37.369 -2.849 185 HB2 LEU 22 HB2 LEU 22 0.096 36.431 -1.586 186 HB3 LEU 22 HB3 LEU 22 0.811 37.114 -3.045 187 HG LEU 22 HG LEU 22 -1.021 39.005 -1.927 188 HD11 LEU 22 HD11 LEU 22 -0.389 37.561 0.134 189 HD12 LEU 22 HD12 LEU 22 -0.300 39.319 0.243 190 HD13 LEU 22 HD13 LEU 22 1.170 38.375 0.004 191 HD21 LEU 22 HD21 LEU 22 0.851 39.521 -3.407 192 HD22 LEU 22 HD22 LEU 22 1.987 38.990 -2.167 193 HD23 LEU 22 HD23 LEU 22 0.977 40.409 -1.889 194 H LYS 23 H LYS 23 -0.452 35.105 -4.899 195 HA LYS 23 HA LYS 23 0.134 37.004 -6.977 196 HB2 LYS 23 HB2 LYS 23 1.470 34.933 -6.590 197 HB3 LYS 23 HB3 LYS 23 0.089 33.985 -7.125 198 HG2 LYS 23 HG2 LYS 23 0.793 34.167 -9.211 199 HG3 LYS 23 HG3 LYS 23 0.589 35.918 -9.119 200 HD2 LYS 23 HD2 LYS 23 3.056 34.416 -8.242 201 HD3 LYS 23 HD3 LYS 23 2.873 35.242 -9.792 202 HE2 LYS 23 HE2 LYS 23 2.351 37.330 -8.422 203 HE3 LYS 23 HE3 LYS 23 2.966 36.434 -7.034 204 HZ1 LYS 23 HZ1 LYS 23 4.441 37.883 -8.844 205 HZ2 LYS 23 HZ2 LYS 23 4.754 36.269 -9.237 206 HZ3 LYS 23 HZ3 LYS 23 5.041 36.828 -7.666 207 H ASP 24 H ASP 24 -2.613 35.263 -5.997 208 HA ASP 24 HA ASP 24 -3.860 35.553 -8.645 209 HB2 ASP 24 HB2 ASP 24 -3.817 33.297 -7.360 210 HB3 ASP 24 HB3 ASP 24 -5.074 34.022 -6.362 211 H GLN 25 H GLN 25 -3.962 36.612 -5.350 212 HA GLN 25 HA GLN 25 -6.551 37.898 -5.669 213 HB2 GLN 25 HB2 GLN 25 -5.831 36.780 -3.526 214 HB3 GLN 25 HB3 GLN 25 -4.664 38.080 -3.319 215 HG2 GLN 25 HG2 GLN 25 -6.743 38.399 -2.029 216 HG3 GLN 25 HG3 GLN 25 -6.409 39.708 -3.162 217 HE21 GLN 25 HE21 GLN 25 -8.454 40.417 -3.467 218 HE22 GLN 25 HE22 GLN 25 -9.708 39.474 -4.189 219 H VAL 26 H VAL 26 -3.336 38.610 -6.315 220 HA VAL 26 HA VAL 26 -3.007 41.264 -5.608 221 HB VAL 26 HB VAL 26 -1.187 39.995 -6.572 222 HG11 VAL 26 HG11 VAL 26 -1.124 39.500 -8.990 223 HG12 VAL 26 HG12 VAL 26 -2.410 38.631 -8.150 224 HG13 VAL 26 HG13 VAL 26 -2.794 40.051 -9.123 225 HG21 VAL 26 HG21 VAL 26 -1.221 42.479 -6.784 226 HG22 VAL 26 HG22 VAL 26 -0.249 41.668 -8.012 227 HG23 VAL 26 HG23 VAL 26 -1.850 42.283 -8.420 228 HN1 NH2 27 HN1 NH2 27 -4.975 39.853 -8.133 229 HN2 NH2 27 HN2 NH2 27 -5.604 41.336 -8.770
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