NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
142848 | 2rq2 | 11072 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 -13.245 15.289 0.372 2 H3 PRO 1 HT2 PRO 1 -14.732 15.959 0.659 3 HA PRO 1 HA PRO 1 -15.292 15.545 -1.380 4 HB2 PRO 1 HB2 PRO 1 -13.664 16.986 -3.037 5 HB3 PRO 1 HB3 PRO 1 -14.942 17.732 -2.054 6 HG2 PRO 1 HG2 PRO 1 -12.017 17.561 -1.539 7 HG3 PRO 1 HG3 PRO 1 -13.130 18.918 -1.294 8 HD2 PRO 1 HD2 PRO 1 -12.298 17.354 0.734 9 HD3 PRO 1 HD3 PRO 1 -13.909 18.099 0.702 10 H ALA 2 H ALA 2 -14.210 14.937 -3.712 11 HA ALA 2 HA ALA 2 -11.923 13.072 -3.168 12 HB1 ALA 2 HB1 ALA 2 -13.109 11.337 -4.251 13 HB2 ALA 2 HB2 ALA 2 -14.220 12.465 -5.029 14 HB3 ALA 2 HB3 ALA 2 -14.355 12.145 -3.300 15 H ILE 3 H ILE 3 -11.418 15.573 -4.246 16 HA ILE 3 HA ILE 3 -11.253 15.151 -7.203 17 HB ILE 3 HB ILE 3 -10.713 17.679 -5.631 18 HG12 ILE 3 HG12 ILE 3 -13.379 16.733 -6.736 19 HG13 ILE 3 HG13 ILE 3 -12.955 16.756 -5.024 20 HG21 ILE 3 HG21 ILE 3 -10.458 17.034 -8.317 21 HG22 ILE 3 HG22 ILE 3 -10.603 18.666 -7.664 22 HG23 ILE 3 HG23 ILE 3 -12.036 17.816 -8.241 23 HD11 ILE 3 HD11 ILE 3 -13.858 18.846 -5.063 24 HD12 ILE 3 HD12 ILE 3 -13.685 18.991 -6.812 25 HD13 ILE 3 HD13 ILE 3 -12.306 19.308 -5.760 26 H TYR 4 H TYR 4 -9.234 16.858 -4.782 27 HA TYR 4 HA TYR 4 -6.862 15.365 -5.819 28 HB2 TYR 4 HB2 TYR 4 -7.593 18.137 -6.105 29 HB3 TYR 4 HB3 TYR 4 -6.096 18.008 -5.181 30 HD1 TYR 4 HD1 TYR 4 -7.754 16.727 -8.278 31 HD2 TYR 4 HD2 TYR 4 -4.063 17.623 -6.277 32 HE1 TYR 4 HE1 TYR 4 -6.504 16.236 -10.367 33 HE2 TYR 4 HE2 TYR 4 -2.809 17.133 -8.363 34 HH TYR 4 HH TYR 4 -3.464 17.194 -10.956 35 H ILE 5 H ILE 5 -8.585 15.393 -3.362 36 HA ILE 5 HA ILE 5 -6.720 16.267 -1.237 37 HB ILE 5 HB ILE 5 -9.412 14.899 -1.113 38 HG12 ILE 5 HG12 ILE 5 -9.533 17.002 -2.399 39 HG13 ILE 5 HG13 ILE 5 -10.326 17.184 -0.836 40 HG21 ILE 5 HG21 ILE 5 -8.707 14.773 1.060 41 HG22 ILE 5 HG22 ILE 5 -9.233 16.456 1.094 42 HG23 ILE 5 HG23 ILE 5 -7.528 16.069 0.857 43 HD11 ILE 5 HD11 ILE 5 -7.596 17.822 -0.428 44 HD12 ILE 5 HD12 ILE 5 -8.972 18.924 -0.392 45 HD13 ILE 5 HD13 ILE 5 -8.094 18.659 -1.898 46 H GLY 6 H GLY 6 -6.181 13.989 -3.064 47 HA2 GLY 6 HA2 GLY 6 -5.241 12.101 -1.043 48 HA3 GLY 6 HA3 GLY 6 -6.486 11.433 -2.100 49 H ALA 7 H ALA 7 -3.823 13.687 -2.840 50 HA ALA 7 HA ALA 7 -3.120 12.063 -5.201 51 HB1 ALA 7 HB1 ALA 7 -1.323 14.217 -4.786 52 HB2 ALA 7 HB2 ALA 7 -2.908 14.784 -4.261 53 HB3 ALA 7 HB3 ALA 7 -2.691 14.167 -5.899 54 H THR 8 H THR 8 -2.560 11.232 -2.266 55 HA THR 8 HA THR 8 0.409 10.884 -2.528 56 HB THR 8 HB THR 8 -0.127 12.131 -0.566 57 HG1 THR 8 HG1 THR 8 0.818 10.846 0.821 58 HG21 THR 8 HG21 THR 8 -2.364 12.059 -0.112 59 HG22 THR 8 HG22 THR 8 -1.876 10.801 1.024 60 HG23 THR 8 HG23 THR 8 -2.503 10.359 -0.564 61 H VAL 9 H VAL 9 1.055 8.766 -1.216 62 HA VAL 9 HA VAL 9 -0.923 6.583 -1.709 63 HB VAL 9 HB VAL 9 1.971 6.590 -2.621 64 HG11 VAL 9 HG11 VAL 9 0.378 4.722 -4.022 65 HG12 VAL 9 HG12 VAL 9 -0.041 4.540 -2.319 66 HG13 VAL 9 HG13 VAL 9 1.637 4.375 -2.838 67 HG21 VAL 9 HG21 VAL 9 1.121 7.997 -4.216 68 HG22 VAL 9 HG22 VAL 9 -0.545 7.516 -3.895 69 HG23 VAL 9 HG23 VAL 9 0.489 6.498 -4.898 70 H GLY 10 H GLY 10 2.272 7.458 -0.366 71 HA2 GLY 10 HA2 GLY 10 2.896 7.017 1.929 72 HA3 GLY 10 HA3 GLY 10 1.651 5.769 1.997 73 HA PRO 11 HA PRO 11 5.622 4.103 -0.192 74 HB2 PRO 11 HB2 PRO 11 7.910 5.088 0.942 75 HB3 PRO 11 HB3 PRO 11 7.142 5.824 -0.478 76 HG2 PRO 11 HG2 PRO 11 7.044 6.661 2.372 77 HG3 PRO 11 HG3 PRO 11 7.120 7.650 0.906 78 HD2 PRO 11 HD2 PRO 11 4.828 7.220 2.338 79 HD3 PRO 11 HD3 PRO 11 4.857 7.602 0.602 80 H SER 12 H SER 12 5.913 5.095 3.237 81 HA SER 12 HA SER 12 7.209 2.710 4.159 82 HB2 SER 12 HB2 SER 12 6.034 3.602 6.357 83 HB3 SER 12 HB3 SER 12 7.313 4.543 5.596 84 HG SER 12 HG SER 12 5.533 5.863 5.986 85 H VAL 13 H VAL 13 3.857 3.648 4.980 86 HA VAL 13 HA VAL 13 2.857 1.224 5.837 87 HB VAL 13 HB VAL 13 1.609 3.355 4.077 88 HG11 VAL 13 HG11 VAL 13 0.390 1.128 4.040 89 HG12 VAL 13 HG12 VAL 13 -0.551 2.480 4.669 90 HG13 VAL 13 HG13 VAL 13 0.161 1.310 5.779 91 HG21 VAL 13 HG21 VAL 13 1.387 2.846 7.059 92 HG22 VAL 13 HG22 VAL 13 0.770 4.240 6.174 93 HG23 VAL 13 HG23 VAL 13 2.509 4.001 6.340 94 H TRP 14 H TRP 14 3.546 2.159 2.502 95 HA TRP 14 HA TRP 14 2.159 0.027 1.177 96 HB2 TRP 14 HB2 TRP 14 2.893 1.933 -0.056 97 HB3 TRP 14 HB3 TRP 14 4.544 1.777 0.545 98 HD1 TRP 14 HD1 TRP 14 6.165 0.602 -1.013 99 HE1 TRP 14 HE1 TRP 14 5.965 -0.987 -3.033 100 HE3 TRP 14 HE3 TRP 14 1.108 -0.114 -1.076 101 HZ2 TRP 14 HZ2 TRP 14 3.930 -2.379 -4.483 102 HZ3 TRP 14 HZ3 TRP 14 0.068 -1.575 -2.786 103 HH2 TRP 14 HH2 TRP 14 1.471 -2.707 -4.487 104 H ALA 15 H ALA 15 5.660 0.338 1.930 105 HA ALA 15 HA ALA 15 6.457 -2.262 1.178 106 HB1 ALA 15 HB1 ALA 15 7.912 -1.484 3.486 107 HB2 ALA 15 HB2 ALA 15 7.438 0.006 2.670 108 HB3 ALA 15 HB3 ALA 15 8.363 -1.219 1.801 109 H TYR 16 H TYR 16 4.774 -1.159 4.062 110 HA TYR 16 HA TYR 16 5.200 -3.519 5.674 111 HB2 TYR 16 HB2 TYR 16 4.460 -1.191 6.378 112 HB3 TYR 16 HB3 TYR 16 2.876 -1.570 5.700 113 HD1 TYR 16 HD2 TYR 16 5.423 -3.231 7.914 114 HD2 TYR 16 HD1 TYR 16 1.281 -2.339 7.202 115 HE1 TYR 16 HE2 TYR 16 4.809 -4.414 10.006 116 HE2 TYR 16 HE1 TYR 16 0.668 -3.521 9.294 117 HH TYR 16 HH TYR 16 1.468 -5.049 10.842 118 H LEU 17 H LEU 17 2.497 -2.456 3.582 119 HA LEU 17 HA LEU 17 0.894 -4.806 3.959 120 HB2 LEU 17 HB2 LEU 17 -0.504 -3.407 2.862 121 HB3 LEU 17 HB3 LEU 17 0.840 -2.299 2.610 122 HG LEU 17 HG LEU 17 1.447 -3.768 0.581 123 HD11 LEU 17 HD11 LEU 17 -1.338 -4.542 0.217 124 HD12 LEU 17 HD12 LEU 17 -0.623 -5.330 1.624 125 HD13 LEU 17 HD13 LEU 17 0.122 -5.513 0.036 126 HD21 LEU 17 HD21 LEU 17 0.125 -2.417 -0.820 127 HD22 LEU 17 HD22 LEU 17 0.184 -1.482 0.674 128 HD23 LEU 17 HD23 LEU 17 -1.244 -2.443 0.291 129 H VAL 18 H VAL 18 3.698 -4.153 2.019 130 HA VAL 18 HA VAL 18 3.280 -6.311 0.094 131 HB VAL 18 HB VAL 18 5.624 -4.575 0.923 132 HG11 VAL 18 HG11 VAL 18 5.756 -7.047 -0.403 133 HG12 VAL 18 HG12 VAL 18 7.014 -5.813 -0.353 134 HG13 VAL 18 HG13 VAL 18 5.856 -5.838 -1.684 135 HG21 VAL 18 HG21 VAL 18 4.740 -4.282 -1.793 136 HG22 VAL 18 HG22 VAL 18 4.706 -3.087 -0.496 137 HG23 VAL 18 HG23 VAL 18 3.338 -4.175 -0.730 138 H ALA 19 H ALA 19 5.493 -5.836 2.875 139 HA ALA 19 HA ALA 19 6.669 -8.421 2.863 140 HB1 ALA 19 HB1 ALA 19 6.811 -6.074 4.320 141 HB2 ALA 19 HB2 ALA 19 7.708 -7.548 4.687 142 HB3 ALA 19 HB3 ALA 19 6.179 -7.221 5.502 143 H LEU 20 H LEU 20 3.697 -7.242 4.446 144 HA LEU 20 HA LEU 20 3.115 -9.659 5.892 145 HB2 LEU 20 HB2 LEU 20 2.030 -7.057 5.422 146 HB3 LEU 20 HB3 LEU 20 0.746 -8.234 5.137 147 HG LEU 20 HG LEU 20 2.481 -8.072 7.620 148 HD11 LEU 20 HD11 LEU 20 -0.405 -7.350 7.052 149 HD12 LEU 20 HD12 LEU 20 0.874 -6.282 7.631 150 HD13 LEU 20 HD13 LEU 20 0.237 -7.547 8.683 151 HD21 LEU 20 HD21 LEU 20 1.791 -10.167 8.088 152 HD22 LEU 20 HD22 LEU 20 1.057 -10.252 6.486 153 HD23 LEU 20 HD23 LEU 20 0.109 -9.687 7.863 154 H VAL 21 H VAL 21 1.758 -8.398 2.816 155 HA VAL 21 HA VAL 21 0.169 -10.679 2.194 156 HB VAL 21 HB VAL 21 1.563 -8.606 0.471 157 HG11 VAL 21 HG11 VAL 21 -0.111 -10.929 -0.203 158 HG12 VAL 21 HG12 VAL 21 0.931 -9.955 -1.241 159 HG13 VAL 21 HG13 VAL 21 -0.705 -9.409 -0.872 160 HG21 VAL 21 HG21 VAL 21 -0.262 -8.087 2.333 161 HG22 VAL 21 HG22 VAL 21 -1.370 -8.664 1.087 162 HG23 VAL 21 HG23 VAL 21 -0.323 -7.282 0.764 163 H GLY 22 H GLY 22 3.605 -10.156 1.974 164 HA2 GLY 22 HA2 GLY 22 4.136 -12.179 -0.032 165 HA3 GLY 22 HA3 GLY 22 5.331 -11.470 1.056 166 H ALA 23 H ALA 23 4.550 -12.155 3.531 167 HA ALA 23 HA ALA 23 5.332 -14.837 3.881 168 HB1 ALA 23 HB1 ALA 23 3.823 -14.333 6.084 169 HB2 ALA 23 HB2 ALA 23 3.987 -12.698 5.442 170 HB3 ALA 23 HB3 ALA 23 5.425 -13.640 5.837 171 H ALA 24 H ALA 24 2.047 -13.479 3.580 172 HA ALA 24 HA ALA 24 0.659 -15.967 4.061 173 HB1 ALA 24 HB1 ALA 24 -1.172 -14.612 3.810 174 HB2 ALA 24 HB2 ALA 24 -0.554 -13.893 2.323 175 HB3 ALA 24 HB3 ALA 24 0.029 -13.321 3.886 176 H ALA 25 H ALA 25 1.950 -14.393 1.161 177 HA ALA 25 HA ALA 25 0.667 -16.194 -0.725 178 HB1 ALA 25 HB1 ALA 25 2.133 -15.050 -2.314 179 HB2 ALA 25 HB2 ALA 25 3.137 -14.450 -0.994 180 HB3 ALA 25 HB3 ALA 25 1.482 -13.867 -1.179 181 H VAL 26 H VAL 26 3.428 -16.414 1.331 182 HA VAL 26 HA VAL 26 4.659 -18.582 -0.299 183 HB VAL 26 HB VAL 26 5.543 -17.264 2.289 184 HG11 VAL 26 HG11 VAL 26 7.778 -18.092 1.564 185 HG12 VAL 26 HG12 VAL 26 7.010 -18.899 0.197 186 HG13 VAL 26 HG13 VAL 26 6.636 -19.408 1.843 187 HG21 VAL 26 HG21 VAL 26 5.217 -15.967 -0.091 188 HG22 VAL 26 HG22 VAL 26 6.858 -16.583 -0.275 189 HG23 VAL 26 HG23 VAL 26 6.455 -15.544 1.092 190 H THR 27 H THR 27 2.543 -18.132 2.372 191 HA THR 27 HA THR 27 3.176 -20.767 3.583 192 HB THR 27 HB THR 27 1.170 -18.589 4.258 193 HG1 THR 27 HG1 THR 27 2.743 -18.228 5.951 194 HG21 THR 27 HG21 THR 27 0.283 -20.358 5.421 195 HG22 THR 27 HG22 THR 27 1.551 -19.917 6.564 196 HG23 THR 27 HG23 THR 27 1.806 -21.247 5.435 197 H ALA 28 H ALA 28 0.816 -19.239 1.488 198 HA ALA 28 HA ALA 28 -1.206 -21.333 1.767 199 HB1 ALA 28 HB1 ALA 28 -1.551 -18.894 1.155 200 HB2 ALA 28 HB2 ALA 28 -2.335 -20.038 0.066 201 HB3 ALA 28 HB3 ALA 28 -0.828 -19.257 -0.412 202 H ALA 29 H ALA 29 1.629 -20.796 -0.211 203 HA ALA 29 HA ALA 29 0.906 -22.627 -2.352 204 HB1 ALA 29 HB1 ALA 29 3.286 -21.095 -1.394 205 HB2 ALA 29 HB2 ALA 29 2.526 -21.098 -2.984 206 HB3 ALA 29 HB3 ALA 29 3.577 -22.432 -2.507 207 H ASN 30 H ASN 30 0.622 -24.784 -1.873 208 HA ASN 30 HA ASN 30 1.447 -26.249 0.335 209 HB2 ASN 30 HB2 ASN 30 -0.037 -27.131 -1.355 210 HB3 ASN 30 HB3 ASN 30 1.217 -27.017 -2.589 211 HD21 ASN 30 HD21 ASN 30 -0.112 -29.052 -0.123 212 HD22 ASN 30 HD22 ASN 30 1.056 -30.282 -0.210 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 0.283 26.408 4.578 2 H3 PRO 1 HT2 PRO 1 -0.518 27.785 5.028 3 HA PRO 1 HA PRO 1 -2.396 26.758 4.770 4 HB2 PRO 1 HB2 PRO 1 -2.652 26.056 2.142 5 HB3 PRO 1 HB3 PRO 1 -2.794 27.734 2.709 6 HG2 PRO 1 HG2 PRO 1 -0.470 26.349 1.469 7 HG3 PRO 1 HG3 PRO 1 -1.098 27.981 1.180 8 HD2 PRO 1 HD2 PRO 1 1.057 27.528 2.721 9 HD3 PRO 1 HD3 PRO 1 -0.081 28.851 3.043 10 H ALA 2 H ALA 2 -3.164 24.669 5.116 11 HA ALA 2 HA ALA 2 -1.230 22.453 4.856 12 HB1 ALA 2 HB1 ALA 2 -3.849 21.719 5.818 13 HB2 ALA 2 HB2 ALA 2 -3.354 23.237 6.567 14 HB3 ALA 2 HB3 ALA 2 -2.335 21.806 6.718 15 H ILE 3 H ILE 3 -1.646 22.956 2.321 16 HA ILE 3 HA ILE 3 -4.015 21.407 1.366 17 HB ILE 3 HB ILE 3 -2.041 23.243 -0.030 18 HG12 ILE 3 HG12 ILE 3 -3.558 24.312 1.670 19 HG13 ILE 3 HG13 ILE 3 -3.831 24.884 0.025 20 HG21 ILE 3 HG21 ILE 3 -4.350 21.590 -0.958 21 HG22 ILE 3 HG22 ILE 3 -2.854 21.999 -1.798 22 HG23 ILE 3 HG23 ILE 3 -4.147 23.189 -1.670 23 HD11 ILE 3 HD11 ILE 3 -5.423 22.646 1.305 24 HD12 ILE 3 HD12 ILE 3 -5.759 23.452 -0.227 25 HD13 ILE 3 HD13 ILE 3 -5.945 24.330 1.290 26 H TYR 4 H TYR 4 -0.543 21.770 0.517 27 HA TYR 4 HA TYR 4 -0.555 19.059 -0.671 28 HB2 TYR 4 HB2 TYR 4 0.869 21.559 -0.923 29 HB3 TYR 4 HB3 TYR 4 2.004 20.227 -0.724 30 HD1 TYR 4 HD2 TYR 4 -0.988 21.299 -2.683 31 HD2 TYR 4 HD1 TYR 4 2.468 18.760 -2.502 32 HE1 TYR 4 HE2 TYR 4 -1.373 20.611 -5.037 33 HE2 TYR 4 HE1 TYR 4 2.086 18.069 -4.854 34 HH TYR 4 HH TYR 4 0.242 17.960 -6.459 35 H ILE 5 H ILE 5 -0.690 19.690 2.255 36 HA ILE 5 HA ILE 5 1.792 18.326 3.208 37 HB ILE 5 HB ILE 5 -0.348 19.879 4.679 38 HG12 ILE 5 HG12 ILE 5 2.366 20.672 3.589 39 HG13 ILE 5 HG13 ILE 5 0.803 21.396 3.213 40 HG21 ILE 5 HG21 ILE 5 2.172 19.814 6.015 41 HG22 ILE 5 HG22 ILE 5 1.759 18.160 5.566 42 HG23 ILE 5 HG23 ILE 5 0.645 19.112 6.546 43 HD11 ILE 5 HD11 ILE 5 2.611 22.137 5.280 44 HD12 ILE 5 HD12 ILE 5 1.180 21.459 6.056 45 HD13 ILE 5 HD13 ILE 5 1.020 22.817 4.942 46 H GLY 6 H GLY 6 -0.625 17.094 1.984 47 HA2 GLY 6 HA2 GLY 6 -0.872 14.836 3.764 48 HA3 GLY 6 HA3 GLY 6 -2.340 15.816 3.789 49 H ALA 7 H ALA 7 -0.170 15.143 1.047 50 HA ALA 7 HA ALA 7 -2.358 13.567 -0.242 51 HB1 ALA 7 HB1 ALA 7 -2.820 15.410 -1.476 52 HB2 ALA 7 HB2 ALA 7 -1.251 15.175 -2.247 53 HB3 ALA 7 HB3 ALA 7 -1.399 16.254 -0.858 54 H THR 8 H THR 8 0.388 12.980 0.920 55 HA THR 8 HA THR 8 2.251 12.504 -1.219 56 HB THR 8 HB THR 8 2.666 12.620 1.278 57 HG1 THR 8 HG1 THR 8 3.936 11.388 -0.494 58 HG21 THR 8 HG21 THR 8 0.680 11.064 1.741 59 HG22 THR 8 HG22 THR 8 2.151 10.768 2.668 60 HG23 THR 8 HG23 THR 8 1.758 9.743 1.287 61 H VAL 9 H VAL 9 2.963 9.868 -1.109 62 HA VAL 9 HA VAL 9 0.629 8.521 -2.393 63 HB VAL 9 HB VAL 9 3.587 7.841 -2.412 64 HG11 VAL 9 HG11 VAL 9 2.658 5.938 -3.275 65 HG12 VAL 9 HG12 VAL 9 2.553 6.915 -4.741 66 HG13 VAL 9 HG13 VAL 9 1.145 6.743 -3.690 67 HG21 VAL 9 HG21 VAL 9 2.916 10.149 -3.323 68 HG22 VAL 9 HG22 VAL 9 2.037 9.277 -4.577 69 HG23 VAL 9 HG23 VAL 9 3.785 9.090 -4.434 70 H GLY 10 H GLY 10 3.456 7.469 -0.447 71 HA2 GLY 10 HA2 GLY 10 2.755 6.483 1.841 72 HA3 GLY 10 HA3 GLY 10 1.655 5.490 0.884 73 HA PRO 11 HA PRO 11 6.083 4.070 -0.255 74 HB2 PRO 11 HB2 PRO 11 8.126 5.029 1.289 75 HB3 PRO 11 HB3 PRO 11 7.569 5.840 -0.188 76 HG2 PRO 11 HG2 PRO 11 7.017 6.498 2.655 77 HG3 PRO 11 HG3 PRO 11 7.254 7.574 1.270 78 HD2 PRO 11 HD2 PRO 11 4.802 6.949 2.347 79 HD3 PRO 11 HD3 PRO 11 5.057 7.498 0.677 80 H SER 12 H SER 12 6.290 4.878 3.240 81 HA SER 12 HA SER 12 7.225 2.306 4.064 82 HB2 SER 12 HB2 SER 12 6.602 3.159 6.301 83 HB3 SER 12 HB3 SER 12 7.391 4.413 5.350 84 HG SER 12 HG SER 12 5.614 5.407 6.064 85 H VAL 13 H VAL 13 3.922 3.705 4.156 86 HA VAL 13 HA VAL 13 2.527 1.534 5.260 87 HB VAL 13 HB VAL 13 1.793 3.502 3.070 88 HG11 VAL 13 HG11 VAL 13 -0.570 2.951 4.151 89 HG12 VAL 13 HG12 VAL 13 0.208 1.412 4.516 90 HG13 VAL 13 HG13 VAL 13 0.076 1.958 2.845 91 HG21 VAL 13 HG21 VAL 13 1.758 3.500 6.069 92 HG22 VAL 13 HG22 VAL 13 0.510 4.403 5.210 93 HG23 VAL 13 HG23 VAL 13 2.212 4.793 4.961 94 H TRP 14 H TRP 14 3.448 2.076 1.855 95 HA TRP 14 HA TRP 14 2.165 -0.270 0.797 96 HB2 TRP 14 HB2 TRP 14 2.752 1.447 -0.711 97 HB3 TRP 14 HB3 TRP 14 4.372 1.610 -0.035 98 HD1 TRP 14 HD1 TRP 14 6.226 0.446 -1.317 99 HE1 TRP 14 HE1 TRP 14 6.355 -1.403 -3.109 100 HE3 TRP 14 HE3 TRP 14 1.307 -0.907 -1.542 101 HZ2 TRP 14 HZ2 TRP 14 4.604 -3.216 -4.459 102 HZ3 TRP 14 HZ3 TRP 14 0.566 -2.697 -3.089 103 HH2 TRP 14 HH2 TRP 14 2.206 -3.852 -4.545 104 H ALA 15 H ALA 15 5.339 0.309 2.254 105 HA ALA 15 HA ALA 15 6.523 -2.216 1.482 106 HB1 ALA 15 HB1 ALA 15 7.769 -1.355 3.804 107 HB2 ALA 15 HB2 ALA 15 7.087 0.134 3.151 108 HB3 ALA 15 HB3 ALA 15 8.191 -0.833 2.173 109 H TYR 16 H TYR 16 4.583 -1.142 4.247 110 HA TYR 16 HA TYR 16 4.997 -3.569 5.805 111 HB2 TYR 16 HB2 TYR 16 4.010 -0.988 6.172 112 HB3 TYR 16 HB3 TYR 16 2.582 -2.010 6.343 113 HD1 TYR 16 HD1 TYR 16 3.959 -4.507 7.367 114 HD2 TYR 16 HD2 TYR 16 4.372 -0.372 8.457 115 HE1 TYR 16 HE1 TYR 16 4.711 -5.180 9.633 116 HE2 TYR 16 HE2 TYR 16 5.122 -1.046 10.723 117 HH TYR 16 HH TYR 16 5.983 -4.273 11.489 118 H LEU 17 H LEU 17 2.657 -2.470 3.402 119 HA LEU 17 HA LEU 17 0.739 -4.597 3.914 120 HB2 LEU 17 HB2 LEU 17 -0.433 -3.019 2.786 121 HB3 LEU 17 HB3 LEU 17 1.054 -2.199 2.324 122 HG LEU 17 HG LEU 17 1.303 -3.910 0.470 123 HD11 LEU 17 HD11 LEU 17 -1.479 -4.571 0.268 124 HD12 LEU 17 HD12 LEU 17 -0.904 -5.061 1.862 125 HD13 LEU 17 HD13 LEU 17 -0.104 -5.666 0.411 126 HD21 LEU 17 HD21 LEU 17 0.343 -1.587 0.189 127 HD22 LEU 17 HD22 LEU 17 -1.262 -2.297 0.358 128 HD23 LEU 17 HD23 LEU 17 -0.233 -2.756 -0.999 129 H VAL 18 H VAL 18 3.548 -4.165 1.861 130 HA VAL 18 HA VAL 18 3.028 -6.516 0.200 131 HB VAL 18 HB VAL 18 5.429 -4.724 0.680 132 HG11 VAL 18 HG11 VAL 18 5.039 -6.658 -1.612 133 HG12 VAL 18 HG12 VAL 18 5.939 -7.088 -0.158 134 HG13 VAL 18 HG13 VAL 18 6.497 -5.765 -1.182 135 HG21 VAL 18 HG21 VAL 18 3.855 -4.835 -1.862 136 HG22 VAL 18 HG22 VAL 18 4.683 -3.468 -1.116 137 HG23 VAL 18 HG23 VAL 18 3.131 -4.012 -0.481 138 H ALA 19 H ALA 19 5.270 -5.728 2.876 139 HA ALA 19 HA ALA 19 6.583 -8.249 3.030 140 HB1 ALA 19 HB1 ALA 19 6.019 -6.776 5.541 141 HB2 ALA 19 HB2 ALA 19 6.733 -5.813 4.246 142 HB3 ALA 19 HB3 ALA 19 7.568 -7.247 4.841 143 H LEU 20 H LEU 20 3.728 -7.038 4.827 144 HA LEU 20 HA LEU 20 3.233 -9.412 6.331 145 HB2 LEU 20 HB2 LEU 20 1.507 -7.145 5.311 146 HB3 LEU 20 HB3 LEU 20 0.900 -8.377 6.418 147 HG LEU 20 HG LEU 20 3.255 -6.532 6.917 148 HD11 LEU 20 HD11 LEU 20 0.454 -6.211 7.297 149 HD12 LEU 20 HD12 LEU 20 1.749 -5.146 7.845 150 HD13 LEU 20 HD13 LEU 20 1.174 -6.446 8.891 151 HD21 LEU 20 HD21 LEU 20 2.091 -8.859 8.455 152 HD22 LEU 20 HD22 LEU 20 3.027 -7.597 9.255 153 HD23 LEU 20 HD23 LEU 20 3.772 -8.585 7.997 154 H VAL 21 H VAL 21 1.788 -8.305 3.238 155 HA VAL 21 HA VAL 21 0.258 -10.740 2.848 156 HB VAL 21 HB VAL 21 1.106 -8.425 1.085 157 HG11 VAL 21 HG11 VAL 21 -1.101 -9.536 -0.113 158 HG12 VAL 21 HG12 VAL 21 -0.230 -10.970 0.429 159 HG13 VAL 21 HG13 VAL 21 0.561 -9.807 -0.635 160 HG21 VAL 21 HG21 VAL 21 -0.469 -7.484 2.455 161 HG22 VAL 21 HG22 VAL 21 -1.162 -9.045 2.898 162 HG23 VAL 21 HG23 VAL 21 -1.593 -8.292 1.362 163 H GLY 22 H GLY 22 3.566 -10.055 2.531 164 HA2 GLY 22 HA2 GLY 22 4.026 -11.865 0.254 165 HA3 GLY 22 HA3 GLY 22 5.271 -11.013 1.167 166 H ALA 23 H ALA 23 4.278 -11.908 3.776 167 HA ALA 23 HA ALA 23 5.722 -14.410 3.958 168 HB1 ALA 23 HB1 ALA 23 4.791 -14.244 6.341 169 HB2 ALA 23 HB2 ALA 23 3.989 -12.764 5.814 170 HB3 ALA 23 HB3 ALA 23 5.750 -12.872 5.790 171 H ALA 24 H ALA 24 2.270 -13.542 3.946 172 HA ALA 24 HA ALA 24 1.407 -16.300 4.448 173 HB1 ALA 24 HB1 ALA 24 -0.386 -15.096 5.103 174 HB2 ALA 24 HB2 ALA 24 -0.672 -14.640 3.423 175 HB3 ALA 24 HB3 ALA 24 0.347 -13.631 4.450 176 H ALA 25 H ALA 25 2.279 -14.417 1.681 177 HA ALA 25 HA ALA 25 0.653 -15.928 -0.238 178 HB1 ALA 25 HB1 ALA 25 1.064 -13.812 -1.034 179 HB2 ALA 25 HB2 ALA 25 2.494 -14.593 -1.706 180 HB3 ALA 25 HB3 ALA 25 2.610 -13.689 -0.196 181 H VAL 26 H VAL 26 3.247 -16.841 1.564 182 HA VAL 26 HA VAL 26 4.666 -18.263 -0.639 183 HB VAL 26 HB VAL 26 5.247 -17.830 2.309 184 HG11 VAL 26 HG11 VAL 26 7.599 -18.570 1.027 185 HG12 VAL 26 HG12 VAL 26 6.395 -19.651 0.325 186 HG13 VAL 26 HG13 VAL 26 6.627 -19.607 2.072 187 HG21 VAL 26 HG21 VAL 26 5.455 -16.056 0.211 188 HG22 VAL 26 HG22 VAL 26 7.066 -16.774 0.242 189 HG23 VAL 26 HG23 VAL 26 6.424 -15.986 1.683 190 H THR 27 H THR 27 2.336 -18.790 1.843 191 HA THR 27 HA THR 27 2.803 -21.747 1.767 192 HB THR 27 HB THR 27 2.831 -20.555 3.955 193 HG1 THR 27 HG1 THR 27 0.982 -21.836 4.833 194 HG21 THR 27 HG21 THR 27 1.268 -19.026 4.513 195 HG22 THR 27 HG22 THR 27 -0.049 -20.101 4.046 196 HG23 THR 27 HG23 THR 27 0.744 -19.101 2.830 197 H ALA 28 H ALA 28 0.599 -19.212 0.852 198 HA ALA 28 HA ALA 28 -1.745 -20.939 0.554 199 HB1 ALA 28 HB1 ALA 28 -1.277 -18.257 -0.747 200 HB2 ALA 28 HB2 ALA 28 -1.540 -18.382 0.992 201 HB3 ALA 28 HB3 ALA 28 -2.786 -18.930 -0.131 202 H ALA 29 H ALA 29 0.951 -19.921 -1.452 203 HA ALA 29 HA ALA 29 -0.338 -21.146 -3.857 204 HB1 ALA 29 HB1 ALA 29 0.518 -18.804 -3.940 205 HB2 ALA 29 HB2 ALA 29 1.362 -19.858 -5.073 206 HB3 ALA 29 HB3 ALA 29 2.131 -19.406 -3.553 207 H ASN 30 H ASN 30 0.170 -23.308 -2.725 208 HA ASN 30 HA ASN 30 3.049 -24.066 -3.054 209 HB2 ASN 30 HB2 ASN 30 1.175 -24.383 -0.983 210 HB3 ASN 30 HB3 ASN 30 1.324 -25.984 -1.711 211 HD21 ASN 30 HD21 ASN 30 3.678 -23.312 -1.066 212 HD22 ASN 30 HD22 ASN 30 4.813 -24.310 -0.291 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -2.791 -2.128 -14.535 2 H3 PRO 1 HT2 PRO 1 -4.079 -1.619 -15.447 3 HA PRO 1 HA PRO 1 -2.800 0.158 -15.669 4 HB2 PRO 1 HB2 PRO 1 -3.583 1.617 -13.498 5 HB3 PRO 1 HB3 PRO 1 -4.678 1.207 -14.833 6 HG2 PRO 1 HG2 PRO 1 -4.674 0.236 -12.107 7 HG3 PRO 1 HG3 PRO 1 -5.907 0.057 -13.362 8 HD2 PRO 1 HD2 PRO 1 -3.881 -1.844 -12.496 9 HD3 PRO 1 HD3 PRO 1 -5.302 -2.106 -13.525 10 H ALA 2 H ALA 2 -1.391 1.861 -14.319 11 HA ALA 2 HA ALA 2 0.503 0.275 -12.615 12 HB1 ALA 2 HB1 ALA 2 1.130 1.146 -14.973 13 HB2 ALA 2 HB2 ALA 2 2.252 1.498 -13.658 14 HB3 ALA 2 HB3 ALA 2 1.144 2.745 -14.232 15 H ILE 3 H ILE 3 -1.628 1.426 -11.279 16 HA ILE 3 HA ILE 3 -0.730 4.081 -10.280 17 HB ILE 3 HB ILE 3 -3.178 2.463 -9.532 18 HG12 ILE 3 HG12 ILE 3 -2.828 4.407 -11.838 19 HG13 ILE 3 HG13 ILE 3 -3.035 2.662 -11.996 20 HG21 ILE 3 HG21 ILE 3 -2.235 4.762 -8.453 21 HG22 ILE 3 HG22 ILE 3 -3.956 4.395 -8.578 22 HG23 ILE 3 HG23 ILE 3 -3.183 5.422 -9.785 23 HD11 ILE 3 HD11 ILE 3 -5.056 4.691 -11.675 24 HD12 ILE 3 HD12 ILE 3 -5.130 3.567 -10.318 25 HD13 ILE 3 HD13 ILE 3 -5.264 2.966 -11.971 26 H TYR 4 H TYR 4 -1.574 0.838 -9.008 27 HA TYR 4 HA TYR 4 -0.313 1.540 -6.413 28 HB2 TYR 4 HB2 TYR 4 -2.463 -0.085 -7.371 29 HB3 TYR 4 HB3 TYR 4 -1.318 -1.122 -6.522 30 HD1 TYR 4 HD1 TYR 4 -0.392 -0.158 -4.248 31 HD2 TYR 4 HD2 TYR 4 -4.047 1.091 -6.123 32 HE1 TYR 4 HE1 TYR 4 -1.218 0.695 -2.069 33 HE2 TYR 4 HE2 TYR 4 -4.876 1.944 -3.944 34 HH TYR 4 HH TYR 4 -2.797 2.053 -1.107 35 H ILE 5 H ILE 5 1.055 0.935 -9.023 36 HA ILE 5 HA ILE 5 2.602 -1.514 -8.352 37 HB ILE 5 HB ILE 5 2.572 0.356 -10.730 38 HG12 ILE 5 HG12 ILE 5 0.486 -1.041 -10.204 39 HG13 ILE 5 HG13 ILE 5 1.185 -1.266 -11.805 40 HG21 ILE 5 HG21 ILE 5 3.567 -2.186 -11.437 41 HG22 ILE 5 HG22 ILE 5 4.386 -1.754 -9.937 42 HG23 ILE 5 HG23 ILE 5 4.479 -0.680 -11.333 43 HD11 ILE 5 HD11 ILE 5 0.679 -3.269 -9.907 44 HD12 ILE 5 HD12 ILE 5 2.428 -3.045 -9.883 45 HD13 ILE 5 HD13 ILE 5 1.610 -3.440 -11.393 46 H GLY 6 H GLY 6 2.800 1.085 -6.919 47 HA2 GLY 6 HA2 GLY 6 4.943 1.632 -5.751 48 HA3 GLY 6 HA3 GLY 6 5.723 1.563 -7.333 49 H ALA 7 H ALA 7 2.646 2.953 -7.537 50 HA ALA 7 HA ALA 7 3.875 5.682 -7.662 51 HB1 ALA 7 HB1 ALA 7 2.060 4.101 -9.295 52 HB2 ALA 7 HB2 ALA 7 2.907 5.594 -9.705 53 HB3 ALA 7 HB3 ALA 7 1.346 5.661 -8.886 54 H THR 8 H THR 8 2.734 4.233 -5.226 55 HA THR 8 HA THR 8 0.321 5.861 -4.628 56 HB THR 8 HB THR 8 1.505 4.079 -2.587 57 HG1 THR 8 HG1 THR 8 0.638 2.270 -3.948 58 HG21 THR 8 HG21 THR 8 -0.657 4.222 -1.986 59 HG22 THR 8 HG22 THR 8 -1.065 3.256 -3.404 60 HG23 THR 8 HG23 THR 8 -1.069 5.017 -3.504 61 H VAL 9 H VAL 9 0.273 7.190 -2.670 62 HA VAL 9 HA VAL 9 2.668 8.768 -2.276 63 HB VAL 9 HB VAL 9 -0.079 8.580 -1.034 64 HG11 VAL 9 HG11 VAL 9 1.179 9.311 0.830 65 HG12 VAL 9 HG12 VAL 9 0.622 10.808 0.082 66 HG13 VAL 9 HG13 VAL 9 2.277 10.258 -0.176 67 HG21 VAL 9 HG21 VAL 9 -0.291 10.823 -2.081 68 HG22 VAL 9 HG22 VAL 9 0.118 9.588 -3.270 69 HG23 VAL 9 HG23 VAL 9 1.363 10.687 -2.677 70 H GLY 10 H GLY 10 0.789 7.319 0.373 71 HA2 GLY 10 HA2 GLY 10 2.743 7.178 2.304 72 HA3 GLY 10 HA3 GLY 10 1.495 5.938 2.160 73 HA PRO 11 HA PRO 11 5.564 4.504 0.026 74 HB2 PRO 11 HB2 PRO 11 7.798 5.341 1.363 75 HB3 PRO 11 HB3 PRO 11 7.094 6.240 0.005 76 HG2 PRO 11 HG2 PRO 11 6.909 6.764 2.919 77 HG3 PRO 11 HG3 PRO 11 6.988 7.903 1.567 78 HD2 PRO 11 HD2 PRO 11 4.683 7.239 2.927 79 HD3 PRO 11 HD3 PRO 11 4.732 7.902 1.279 80 H SER 12 H SER 12 5.970 5.128 3.540 81 HA SER 12 HA SER 12 7.088 2.586 4.193 82 HB2 SER 12 HB2 SER 12 5.674 4.814 5.612 83 HB3 SER 12 HB3 SER 12 5.967 3.316 6.490 84 HG SER 12 HG SER 12 8.080 3.655 6.387 85 H VAL 13 H VAL 13 3.718 3.712 4.734 86 HA VAL 13 HA VAL 13 2.541 1.350 5.602 87 HB VAL 13 HB VAL 13 1.525 3.454 3.667 88 HG11 VAL 13 HG11 VAL 13 -0.055 1.746 3.425 89 HG12 VAL 13 HG12 VAL 13 -0.722 2.666 4.773 90 HG13 VAL 13 HG13 VAL 13 0.166 1.173 5.078 91 HG21 VAL 13 HG21 VAL 13 2.245 3.569 6.390 92 HG22 VAL 13 HG22 VAL 13 0.483 3.503 6.374 93 HG23 VAL 13 HG23 VAL 13 1.327 4.774 5.487 94 H TRP 14 H TRP 14 3.448 2.205 2.283 95 HA TRP 14 HA TRP 14 2.127 -0.003 0.982 96 HB2 TRP 14 HB2 TRP 14 2.768 1.877 -0.315 97 HB3 TRP 14 HB3 TRP 14 4.404 1.876 0.341 98 HD1 TRP 14 HD1 TRP 14 6.059 1.105 -1.411 99 HE1 TRP 14 HE1 TRP 14 6.094 -0.679 -3.273 100 HE3 TRP 14 HE3 TRP 14 1.334 -0.773 -0.923 101 HZ2 TRP 14 HZ2 TRP 14 4.349 -2.642 -4.405 102 HZ3 TRP 14 HZ3 TRP 14 0.548 -2.598 -2.405 103 HH2 TRP 14 HH2 TRP 14 2.047 -3.534 -4.143 104 H ALA 15 H ALA 15 5.615 0.480 1.689 105 HA ALA 15 HA ALA 15 6.500 -2.116 1.019 106 HB1 ALA 15 HB1 ALA 15 8.397 -1.515 2.541 107 HB2 ALA 15 HB2 ALA 15 7.445 -0.154 3.132 108 HB3 ALA 15 HB3 ALA 15 7.959 -0.203 1.447 109 H TYR 16 H TYR 16 4.735 -1.017 3.829 110 HA TYR 16 HA TYR 16 5.395 -3.310 5.517 111 HB2 TYR 16 HB2 TYR 16 4.403 -0.789 5.875 112 HB3 TYR 16 HB3 TYR 16 2.926 -1.744 5.985 113 HD1 TYR 16 HD1 TYR 16 6.494 -2.102 7.114 114 HD2 TYR 16 HD2 TYR 16 2.333 -2.365 8.142 115 HE1 TYR 16 HE1 TYR 16 7.108 -2.785 9.419 116 HE2 TYR 16 HE2 TYR 16 2.945 -3.049 10.446 117 HH TYR 16 HH TYR 16 4.596 -3.549 11.836 118 H LEU 17 H LEU 17 2.628 -2.356 3.470 119 HA LEU 17 HA LEU 17 1.031 -4.680 4.104 120 HB2 LEU 17 HB2 LEU 17 -0.410 -3.221 3.145 121 HB3 LEU 17 HB3 LEU 17 0.927 -2.244 2.549 122 HG LEU 17 HG LEU 17 1.140 -3.835 0.615 123 HD11 LEU 17 HD11 LEU 17 0.067 -5.810 0.763 124 HD12 LEU 17 HD12 LEU 17 -1.463 -4.943 0.624 125 HD13 LEU 17 HD13 LEU 17 -0.781 -5.281 2.215 126 HD21 LEU 17 HD21 LEU 17 -0.725 -2.896 -0.607 127 HD22 LEU 17 HD22 LEU 17 -0.184 -1.680 0.550 128 HD23 LEU 17 HD23 LEU 17 -1.632 -2.631 0.883 129 H VAL 18 H VAL 18 3.609 -4.031 1.839 130 HA VAL 18 HA VAL 18 3.065 -6.396 0.178 131 HB VAL 18 HB VAL 18 5.510 -4.606 0.355 132 HG11 VAL 18 HG11 VAL 18 4.589 -5.761 -2.210 133 HG12 VAL 18 HG12 VAL 18 5.188 -6.931 -1.035 134 HG13 VAL 18 HG13 VAL 18 6.224 -5.608 -1.567 135 HG21 VAL 18 HG21 VAL 18 3.196 -4.279 -1.558 136 HG22 VAL 18 HG22 VAL 18 4.474 -3.126 -1.181 137 HG23 VAL 18 HG23 VAL 18 3.213 -3.465 0.005 138 H ALA 19 H ALA 19 5.301 -5.469 2.783 139 HA ALA 19 HA ALA 19 6.872 -7.906 2.676 140 HB1 ALA 19 HB1 ALA 19 8.020 -6.894 4.429 141 HB2 ALA 19 HB2 ALA 19 6.547 -6.236 5.144 142 HB3 ALA 19 HB3 ALA 19 7.245 -5.482 3.711 143 H LEU 20 H LEU 20 3.830 -7.004 4.124 144 HA LEU 20 HA LEU 20 3.822 -9.264 6.024 145 HB2 LEU 20 HB2 LEU 20 2.160 -6.884 5.336 146 HB3 LEU 20 HB3 LEU 20 1.333 -8.241 6.105 147 HG LEU 20 HG LEU 20 3.931 -7.253 7.247 148 HD11 LEU 20 HD11 LEU 20 1.436 -6.140 8.395 149 HD12 LEU 20 HD12 LEU 20 1.918 -5.465 6.837 150 HD13 LEU 20 HD13 LEU 20 3.023 -5.392 8.211 151 HD21 LEU 20 HD21 LEU 20 3.262 -8.426 9.121 152 HD22 LEU 20 HD22 LEU 20 2.392 -9.351 7.897 153 HD23 LEU 20 HD23 LEU 20 1.550 -8.117 8.833 154 H VAL 21 H VAL 21 1.818 -8.237 3.228 155 HA VAL 21 HA VAL 21 0.296 -10.643 3.026 156 HB VAL 21 HB VAL 21 1.128 -8.499 1.053 157 HG11 VAL 21 HG11 VAL 21 -0.538 -10.960 0.713 158 HG12 VAL 21 HG12 VAL 21 0.515 -10.149 -0.447 159 HG13 VAL 21 HG13 VAL 21 -1.074 -9.479 -0.082 160 HG21 VAL 21 HG21 VAL 21 -0.412 -8.141 3.164 161 HG22 VAL 21 HG22 VAL 21 -1.626 -8.950 2.171 162 HG23 VAL 21 HG23 VAL 21 -0.884 -7.451 1.611 163 H GLY 22 H GLY 22 3.587 -9.982 2.206 164 HA2 GLY 22 HA2 GLY 22 3.855 -11.976 0.115 165 HA3 GLY 22 HA3 GLY 22 5.185 -11.212 0.988 166 H ALA 23 H ALA 23 4.056 -11.992 3.623 167 HA ALA 23 HA ALA 23 5.382 -14.541 3.908 168 HB1 ALA 23 HB1 ALA 23 5.410 -13.226 5.823 169 HB2 ALA 23 HB2 ALA 23 4.043 -14.275 6.200 170 HB3 ALA 23 HB3 ALA 23 3.762 -12.651 5.573 171 H ALA 24 H ALA 24 2.122 -13.624 3.113 172 HA ALA 24 HA ALA 24 0.959 -16.220 3.898 173 HB1 ALA 24 HB1 ALA 24 -0.666 -14.546 2.179 174 HB2 ALA 24 HB2 ALA 24 0.097 -13.570 3.435 175 HB3 ALA 24 HB3 ALA 24 -0.909 -14.949 3.879 176 H ALA 25 H ALA 25 2.471 -14.807 1.124 177 HA ALA 25 HA ALA 25 1.176 -16.454 -0.898 178 HB1 ALA 25 HB1 ALA 25 2.285 -14.237 -1.259 179 HB2 ALA 25 HB2 ALA 25 2.922 -15.492 -2.322 180 HB3 ALA 25 HB3 ALA 25 3.838 -14.992 -0.901 181 H VAL 26 H VAL 26 3.232 -17.271 1.592 182 HA VAL 26 HA VAL 26 4.668 -19.367 0.014 183 HB VAL 26 HB VAL 26 5.047 -18.263 2.818 184 HG11 VAL 26 HG11 VAL 26 5.955 -20.428 2.902 185 HG12 VAL 26 HG12 VAL 26 7.341 -19.447 2.425 186 HG13 VAL 26 HG13 VAL 26 6.463 -20.381 1.213 187 HG21 VAL 26 HG21 VAL 26 7.168 -17.875 0.838 188 HG22 VAL 26 HG22 VAL 26 6.409 -16.699 1.909 189 HG23 VAL 26 HG23 VAL 26 5.656 -17.101 0.367 190 H THR 27 H THR 27 2.006 -18.917 2.108 191 HA THR 27 HA THR 27 2.094 -21.727 3.103 192 HB THR 27 HB THR 27 1.707 -19.826 4.659 193 HG1 THR 27 HG1 THR 27 -0.393 -21.646 4.169 194 HG21 THR 27 HG21 THR 27 -0.616 -18.741 4.441 195 HG22 THR 27 HG22 THR 27 -0.610 -19.350 2.786 196 HG23 THR 27 HG23 THR 27 0.626 -18.206 3.310 197 H ALA 28 H ALA 28 0.344 -19.593 0.926 198 HA ALA 28 HA ALA 28 -1.820 -21.569 0.499 199 HB1 ALA 28 HB1 ALA 28 -2.932 -19.684 -0.067 200 HB2 ALA 28 HB2 ALA 28 -1.745 -19.312 -1.318 201 HB3 ALA 28 HB3 ALA 28 -1.478 -18.772 0.339 202 H ALA 29 H ALA 29 1.166 -21.887 -0.351 203 HA ALA 29 HA ALA 29 0.720 -22.279 -3.285 204 HB1 ALA 29 HB1 ALA 29 2.712 -21.203 -3.315 205 HB2 ALA 29 HB2 ALA 29 3.420 -22.668 -2.631 206 HB3 ALA 29 HB3 ALA 29 2.887 -21.366 -1.568 207 H ASN 30 H ASN 30 2.444 -24.220 -3.930 208 HA ASN 30 HA ASN 30 2.578 -26.465 -2.111 209 HB2 ASN 30 HB2 ASN 30 0.776 -27.799 -3.092 210 HB3 ASN 30 HB3 ASN 30 0.117 -26.261 -2.531 211 HD21 ASN 30 HD21 ASN 30 0.788 -28.199 -5.385 212 HD22 ASN 30 HD22 ASN 30 0.070 -27.142 -6.503 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 14.260 21.296 -10.322 2 H3 PRO 1 HT2 PRO 1 14.989 22.745 -9.989 3 HA PRO 1 HA PRO 1 13.480 23.143 -8.501 4 HB2 PRO 1 HB2 PRO 1 11.056 23.318 -9.748 5 HB3 PRO 1 HB3 PRO 1 12.306 24.571 -9.891 6 HG2 PRO 1 HG2 PRO 1 11.607 22.372 -11.772 7 HG3 PRO 1 HG3 PRO 1 12.008 24.065 -12.112 8 HD2 PRO 1 HD2 PRO 1 13.787 22.074 -12.435 9 HD3 PRO 1 HD3 PRO 1 14.267 23.709 -11.940 10 H ALA 2 H ALA 2 10.924 22.331 -7.971 11 HA ALA 2 HA ALA 2 10.272 19.611 -8.565 12 HB1 ALA 2 HB1 ALA 2 11.598 18.430 -7.150 13 HB2 ALA 2 HB2 ALA 2 11.314 19.561 -5.826 14 HB3 ALA 2 HB3 ALA 2 12.566 19.899 -7.021 15 H ILE 3 H ILE 3 8.416 21.389 -8.463 16 HA ILE 3 HA ILE 3 7.390 22.304 -5.967 17 HB ILE 3 HB ILE 3 6.078 21.588 -8.608 18 HG12 ILE 3 HG12 ILE 3 6.747 24.322 -7.500 19 HG13 ILE 3 HG13 ILE 3 7.908 23.396 -8.450 20 HG21 ILE 3 HG21 ILE 3 4.595 21.759 -6.460 21 HG22 ILE 3 HG22 ILE 3 4.117 22.663 -7.896 22 HG23 ILE 3 HG23 ILE 3 4.934 23.485 -6.569 23 HD11 ILE 3 HD11 ILE 3 6.922 24.289 -10.276 24 HD12 ILE 3 HD12 ILE 3 5.548 24.873 -9.337 25 HD13 ILE 3 HD13 ILE 3 5.566 23.215 -9.936 26 H TYR 4 H TYR 4 5.383 20.054 -7.773 27 HA TYR 4 HA TYR 4 4.879 18.543 -5.268 28 HB2 TYR 4 HB2 TYR 4 3.436 19.392 -7.606 29 HB3 TYR 4 HB3 TYR 4 3.299 17.641 -7.437 30 HD1 TYR 4 HD2 TYR 4 3.328 17.148 -4.608 31 HD2 TYR 4 HD1 TYR 4 1.499 20.383 -6.756 32 HE1 TYR 4 HE2 TYR 4 1.694 17.445 -2.764 33 HE2 TYR 4 HE1 TYR 4 -0.139 20.683 -4.913 34 HH TYR 4 HH TYR 4 -0.727 18.428 -2.597 35 H ILE 5 H ILE 5 7.262 18.315 -7.076 36 HA ILE 5 HA ILE 5 7.047 15.482 -7.976 37 HB ILE 5 HB ILE 5 9.189 17.581 -8.369 38 HG12 ILE 5 HG12 ILE 5 6.867 18.083 -9.316 39 HG13 ILE 5 HG13 ILE 5 8.183 18.058 -10.490 40 HG21 ILE 5 HG21 ILE 5 10.243 15.558 -8.832 41 HG22 ILE 5 HG22 ILE 5 9.568 15.955 -10.413 42 HG23 ILE 5 HG23 ILE 5 8.750 14.789 -9.373 43 HD11 ILE 5 HD11 ILE 5 7.255 16.331 -11.604 44 HD12 ILE 5 HD12 ILE 5 5.820 16.552 -10.602 45 HD13 ILE 5 HD13 ILE 5 7.066 15.401 -10.118 46 H GLY 6 H GLY 6 7.324 16.413 -5.167 47 HA2 GLY 6 HA2 GLY 6 9.678 14.740 -4.462 48 HA3 GLY 6 HA3 GLY 6 9.539 16.342 -3.740 49 H ALA 7 H ALA 7 7.470 13.464 -4.235 50 HA ALA 7 HA ALA 7 7.018 12.948 -1.475 51 HB1 ALA 7 HB1 ALA 7 5.183 14.925 -2.837 52 HB2 ALA 7 HB2 ALA 7 6.021 15.099 -1.296 53 HB3 ALA 7 HB3 ALA 7 4.653 13.993 -1.436 54 H THR 8 H THR 8 6.887 10.769 -2.113 55 HA THR 8 HA THR 8 5.307 9.816 -4.332 56 HB THR 8 HB THR 8 5.957 8.121 -1.951 57 HG1 THR 8 HG1 THR 8 8.166 8.143 -2.738 58 HG21 THR 8 HG21 THR 8 7.049 7.318 -4.500 59 HG22 THR 8 HG22 THR 8 5.344 7.733 -4.678 60 HG23 THR 8 HG23 THR 8 5.836 6.506 -3.510 61 H VAL 9 H VAL 9 3.997 7.619 -2.876 62 HA VAL 9 HA VAL 9 1.637 9.139 -1.830 63 HB VAL 9 HB VAL 9 1.932 6.364 -3.028 64 HG11 VAL 9 HG11 VAL 9 0.068 6.557 -1.396 65 HG12 VAL 9 HG12 VAL 9 -0.521 6.341 -3.045 66 HG13 VAL 9 HG13 VAL 9 -0.556 7.938 -2.298 67 HG21 VAL 9 HG21 VAL 9 1.538 7.301 -5.054 68 HG22 VAL 9 HG22 VAL 9 1.972 8.833 -4.296 69 HG23 VAL 9 HG23 VAL 9 0.279 8.353 -4.408 70 H GLY 10 H GLY 10 3.681 6.275 -1.242 71 HA2 GLY 10 HA2 GLY 10 3.661 6.529 1.585 72 HA3 GLY 10 HA3 GLY 10 2.386 5.393 1.139 73 HA PRO 11 HA PRO 11 6.651 3.574 -0.185 74 HB2 PRO 11 HB2 PRO 11 8.764 4.482 1.298 75 HB3 PRO 11 HB3 PRO 11 8.265 5.232 -0.232 76 HG2 PRO 11 HG2 PRO 11 7.740 6.104 2.562 77 HG3 PRO 11 HG3 PRO 11 8.096 7.071 1.123 78 HD2 PRO 11 HD2 PRO 11 5.584 6.752 2.161 79 HD3 PRO 11 HD3 PRO 11 5.913 7.108 0.451 80 H SER 12 H SER 12 6.704 4.606 3.254 81 HA SER 12 HA SER 12 7.532 2.030 4.255 82 HB2 SER 12 HB2 SER 12 7.113 4.664 5.167 83 HB3 SER 12 HB3 SER 12 6.042 3.657 6.137 84 HG SER 12 HG SER 12 7.982 2.264 6.364 85 H VAL 13 H VAL 13 4.340 3.671 4.215 86 HA VAL 13 HA VAL 13 2.851 1.586 5.448 87 HB VAL 13 HB VAL 13 2.291 4.044 4.823 88 HG11 VAL 13 HG11 VAL 13 2.682 3.813 2.402 89 HG12 VAL 13 HG12 VAL 13 1.016 4.289 2.726 90 HG13 VAL 13 HG13 VAL 13 1.390 2.618 2.304 91 HG21 VAL 13 HG21 VAL 13 -0.204 3.292 4.451 92 HG22 VAL 13 HG22 VAL 13 0.601 2.919 5.974 93 HG23 VAL 13 HG23 VAL 13 0.446 1.677 4.732 94 H TRP 14 H TRP 14 3.493 2.197 1.979 95 HA TRP 14 HA TRP 14 1.982 -0.013 0.962 96 HB2 TRP 14 HB2 TRP 14 2.694 1.774 -0.475 97 HB3 TRP 14 HB3 TRP 14 4.382 1.557 -0.014 98 HD1 TRP 14 HD1 TRP 14 5.749 0.275 -1.716 99 HE1 TRP 14 HE1 TRP 14 5.271 -1.501 -3.522 100 HE3 TRP 14 HE3 TRP 14 0.737 -0.393 -0.993 101 HZ2 TRP 14 HZ2 TRP 14 3.056 -3.006 -4.527 102 HZ3 TRP 14 HZ3 TRP 14 -0.531 -2.002 -2.387 103 HH2 TRP 14 HH2 TRP 14 0.622 -3.308 -4.153 104 H ALA 15 H ALA 15 5.341 0.263 2.091 105 HA ALA 15 HA ALA 15 6.175 -2.375 1.263 106 HB1 ALA 15 HB1 ALA 15 7.495 -1.286 3.625 107 HB2 ALA 15 HB2 ALA 15 7.266 -0.053 2.384 108 HB3 ALA 15 HB3 ALA 15 8.144 -1.535 2.004 109 H TYR 16 H TYR 16 4.368 -1.156 3.995 110 HA TYR 16 HA TYR 16 4.826 -3.470 5.719 111 HB2 TYR 16 HB2 TYR 16 3.803 -0.862 5.904 112 HB3 TYR 16 HB3 TYR 16 2.422 -1.910 6.232 113 HD1 TYR 16 HD2 TYR 16 3.538 -4.223 7.546 114 HD2 TYR 16 HD1 TYR 16 4.652 -0.093 7.946 115 HE1 TYR 16 HE2 TYR 16 4.425 -4.682 9.817 116 HE2 TYR 16 HE1 TYR 16 5.539 -0.552 10.215 117 HH TYR 16 HH TYR 16 5.192 -2.230 12.019 118 H LEU 17 H LEU 17 2.312 -2.440 3.422 119 HA LEU 17 HA LEU 17 0.527 -4.654 4.050 120 HB2 LEU 17 HB2 LEU 17 -0.779 -3.094 3.049 121 HB3 LEU 17 HB3 LEU 17 0.632 -2.239 2.438 122 HG LEU 17 HG LEU 17 0.757 -3.851 0.550 123 HD11 LEU 17 HD11 LEU 17 -0.380 -5.789 0.646 124 HD12 LEU 17 HD12 LEU 17 -1.904 -4.901 0.698 125 HD13 LEU 17 HD13 LEU 17 -1.064 -5.299 2.197 126 HD21 LEU 17 HD21 LEU 17 -0.659 -1.666 0.589 127 HD22 LEU 17 HD22 LEU 17 -2.049 -2.748 0.665 128 HD23 LEU 17 HD23 LEU 17 -0.950 -2.819 -0.713 129 H VAL 18 H VAL 18 3.219 -4.124 1.894 130 HA VAL 18 HA VAL 18 2.660 -6.442 0.190 131 HB VAL 18 HB VAL 18 5.116 -4.697 0.568 132 HG11 VAL 18 HG11 VAL 18 5.116 -7.080 -0.660 133 HG12 VAL 18 HG12 VAL 18 6.045 -5.714 -1.280 134 HG13 VAL 18 HG13 VAL 18 4.474 -6.106 -1.983 135 HG21 VAL 18 HG21 VAL 18 2.729 -3.781 -0.218 136 HG22 VAL 18 HG22 VAL 18 3.246 -4.470 -1.756 137 HG23 VAL 18 HG23 VAL 18 4.220 -3.224 -0.976 138 H ALA 19 H ALA 19 4.836 -5.678 2.908 139 HA ALA 19 HA ALA 19 6.222 -8.227 2.852 140 HB1 ALA 19 HB1 ALA 19 7.123 -6.135 3.814 141 HB2 ALA 19 HB2 ALA 19 7.074 -7.411 5.030 142 HB3 ALA 19 HB3 ALA 19 5.847 -6.144 5.030 143 H LEU 20 H LEU 20 3.430 -6.938 4.649 144 HA LEU 20 HA LEU 20 3.116 -9.255 6.362 145 HB2 LEU 20 HB2 LEU 20 1.705 -6.739 5.666 146 HB3 LEU 20 HB3 LEU 20 0.682 -8.033 6.294 147 HG LEU 20 HG LEU 20 3.251 -7.488 7.716 148 HD11 LEU 20 HD11 LEU 20 0.813 -5.860 8.388 149 HD12 LEU 20 HD12 LEU 20 1.946 -5.277 7.170 150 HD13 LEU 20 HD13 LEU 20 2.497 -5.567 8.820 151 HD21 LEU 20 HD21 LEU 20 1.593 -9.319 8.297 152 HD22 LEU 20 HD22 LEU 20 0.451 -8.048 8.735 153 HD23 LEU 20 HD23 LEU 20 1.966 -8.218 9.622 154 H VAL 21 H VAL 21 1.680 -8.234 3.264 155 HA VAL 21 HA VAL 21 -0.012 -10.652 3.138 156 HB VAL 21 HB VAL 21 0.516 -8.443 1.122 157 HG11 VAL 21 HG11 VAL 21 -1.427 -10.710 1.342 158 HG12 VAL 21 HG12 VAL 21 -0.627 -10.057 -0.087 159 HG13 VAL 21 HG13 VAL 21 -1.989 -9.197 0.631 160 HG21 VAL 21 HG21 VAL 21 -0.305 -7.705 3.422 161 HG22 VAL 21 HG22 VAL 21 -1.764 -8.643 3.106 162 HG23 VAL 21 HG23 VAL 21 -1.353 -7.276 2.070 163 H GLY 22 H GLY 22 3.202 -9.929 2.454 164 HA2 GLY 22 HA2 GLY 22 3.357 -11.708 0.087 165 HA3 GLY 22 HA3 GLY 22 4.685 -10.746 0.740 166 H ALA 23 H ALA 23 3.803 -11.775 3.513 167 HA ALA 23 HA ALA 23 5.643 -14.046 3.573 168 HB1 ALA 23 HB1 ALA 23 4.999 -12.100 5.291 169 HB2 ALA 23 HB2 ALA 23 5.562 -13.671 5.861 170 HB3 ALA 23 HB3 ALA 23 3.837 -13.306 5.841 171 H ALA 24 H ALA 24 2.145 -13.587 3.585 172 HA ALA 24 HA ALA 24 1.558 -16.360 4.338 173 HB1 ALA 24 HB1 ALA 24 -0.186 -14.185 3.136 174 HB2 ALA 24 HB2 ALA 24 0.141 -14.356 4.861 175 HB3 ALA 24 HB3 ALA 24 -0.746 -15.615 4.002 176 H ALA 25 H ALA 25 2.223 -14.619 1.407 177 HA ALA 25 HA ALA 25 0.837 -16.417 -0.411 178 HB1 ALA 25 HB1 ALA 25 2.169 -15.146 -2.089 179 HB2 ALA 25 HB2 ALA 25 3.098 -14.423 -0.775 180 HB3 ALA 25 HB3 ALA 25 1.376 -14.075 -0.934 181 H VAL 26 H VAL 26 3.797 -16.573 1.343 182 HA VAL 26 HA VAL 26 5.167 -18.373 -0.538 183 HB VAL 26 HB VAL 26 5.663 -17.371 2.279 184 HG11 VAL 26 HG11 VAL 26 7.849 -18.456 2.170 185 HG12 VAL 26 HG12 VAL 26 7.482 -19.097 0.570 186 HG13 VAL 26 HG13 VAL 26 6.587 -19.670 1.976 187 HG21 VAL 26 HG21 VAL 26 7.607 -16.273 1.066 188 HG22 VAL 26 HG22 VAL 26 6.013 -15.682 0.599 189 HG23 VAL 26 HG23 VAL 26 6.874 -16.814 -0.444 190 H THR 27 H THR 27 2.803 -18.674 1.932 191 HA THR 27 HA THR 27 3.411 -21.595 2.252 192 HB THR 27 HB THR 27 3.426 -19.999 4.245 193 HG1 THR 27 HG1 THR 27 2.071 -21.451 5.478 194 HG21 THR 27 HG21 THR 27 0.449 -19.990 3.671 195 HG22 THR 27 HG22 THR 27 1.530 -18.606 3.505 196 HG23 THR 27 HG23 THR 27 1.222 -19.300 5.097 197 H ALA 28 H ALA 28 1.131 -19.263 1.073 198 HA ALA 28 HA ALA 28 -1.178 -21.074 1.077 199 HB1 ALA 28 HB1 ALA 28 -2.066 -19.119 -0.356 200 HB2 ALA 28 HB2 ALA 28 -0.518 -18.340 -0.033 201 HB3 ALA 28 HB3 ALA 28 -1.600 -18.740 1.301 202 H ALA 29 H ALA 29 1.479 -20.320 -1.052 203 HA ALA 29 HA ALA 29 0.156 -21.443 -3.442 204 HB1 ALA 29 HB1 ALA 29 1.709 -20.128 -4.424 205 HB2 ALA 29 HB2 ALA 29 3.006 -21.050 -3.662 206 HB3 ALA 29 HB3 ALA 29 2.288 -19.676 -2.821 207 H ASN 30 H ASN 30 1.123 -22.942 -0.790 208 HA ASN 30 HA ASN 30 3.125 -24.831 -1.562 209 HB2 ASN 30 HB2 ASN 30 2.383 -24.386 0.743 210 HB3 ASN 30 HB3 ASN 30 0.786 -25.030 0.363 211 HD21 ASN 30 HD21 ASN 30 0.547 -27.156 1.047 212 HD22 ASN 30 HD22 ASN 30 1.792 -28.308 1.117 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 -3.103 22.530 1.776 2 H3 PRO 1 HT2 PRO 1 -3.824 23.878 2.409 3 HA PRO 1 HA PRO 1 -3.958 22.883 4.316 4 HB2 PRO 1 HB2 PRO 1 -5.598 20.715 4.047 5 HB3 PRO 1 HB3 PRO 1 -6.203 22.385 4.033 6 HG2 PRO 1 HG2 PRO 1 -5.644 20.557 1.754 7 HG3 PRO 1 HG3 PRO 1 -6.999 21.672 2.002 8 HD2 PRO 1 HD2 PRO 1 -4.921 22.260 0.392 9 HD3 PRO 1 HD3 PRO 1 -5.800 23.500 1.309 10 H ALA 2 H ALA 2 -3.479 20.772 5.535 11 HA ALA 2 HA ALA 2 -1.910 18.794 3.967 12 HB1 ALA 2 HB1 ALA 2 -0.431 19.632 6.306 13 HB2 ALA 2 HB2 ALA 2 -0.795 21.029 5.292 14 HB3 ALA 2 HB3 ALA 2 0.075 19.652 4.616 15 H ILE 3 H ILE 3 -4.413 18.763 5.607 16 HA ILE 3 HA ILE 3 -3.747 17.395 8.111 17 HB ILE 3 HB ILE 3 -6.380 17.568 6.616 18 HG12 ILE 3 HG12 ILE 3 -5.400 19.814 6.809 19 HG13 ILE 3 HG13 ILE 3 -6.753 19.649 7.930 20 HG21 ILE 3 HG21 ILE 3 -5.818 17.480 9.590 21 HG22 ILE 3 HG22 ILE 3 -6.144 16.037 8.629 22 HG23 ILE 3 HG23 ILE 3 -7.376 17.289 8.785 23 HD11 ILE 3 HD11 ILE 3 -4.717 20.719 8.951 24 HD12 ILE 3 HD12 ILE 3 -3.860 19.198 8.704 25 HD13 ILE 3 HD13 ILE 3 -5.251 19.261 9.787 26 H TYR 4 H TYR 4 -5.753 16.284 5.357 27 HA TYR 4 HA TYR 4 -4.549 13.564 5.720 28 HB2 TYR 4 HB2 TYR 4 -7.263 14.616 5.611 29 HB3 TYR 4 HB3 TYR 4 -7.013 13.324 4.440 30 HD1 TYR 4 HD1 TYR 4 -6.685 14.216 8.034 31 HD2 TYR 4 HD2 TYR 4 -6.780 11.060 5.124 32 HE1 TYR 4 HE1 TYR 4 -6.805 12.537 9.860 33 HE2 TYR 4 HE2 TYR 4 -6.900 9.379 6.946 34 HH TYR 4 HH TYR 4 -6.762 9.049 9.154 35 H ILE 5 H ILE 5 -3.892 15.899 3.952 36 HA ILE 5 HA ILE 5 -4.180 14.571 1.284 37 HB ILE 5 HB ILE 5 -3.680 17.464 2.006 38 HG12 ILE 5 HG12 ILE 5 -6.208 15.942 1.339 39 HG13 ILE 5 HG13 ILE 5 -5.882 16.921 2.768 40 HG21 ILE 5 HG21 ILE 5 -3.316 16.074 -0.399 41 HG22 ILE 5 HG22 ILE 5 -3.404 17.825 -0.201 42 HG23 ILE 5 HG23 ILE 5 -4.859 16.907 -0.589 43 HD11 ILE 5 HD11 ILE 5 -7.096 18.458 1.551 44 HD12 ILE 5 HD12 ILE 5 -6.590 17.788 0.001 45 HD13 ILE 5 HD13 ILE 5 -5.488 18.811 0.922 46 H GLY 6 H GLY 6 -2.117 14.204 3.405 47 HA2 GLY 6 HA2 GLY 6 0.264 14.745 1.694 48 HA3 GLY 6 HA3 GLY 6 0.321 15.140 3.411 49 H ALA 7 H ALA 7 -1.595 12.414 2.849 50 HA ALA 7 HA ALA 7 0.689 10.621 3.613 51 HB1 ALA 7 HB1 ALA 7 -0.785 10.724 5.439 52 HB2 ALA 7 HB2 ALA 7 -1.366 9.299 4.579 53 HB3 ALA 7 HB3 ALA 7 -2.209 10.839 4.404 54 H THR 8 H THR 8 -0.304 11.307 0.861 55 HA THR 8 HA THR 8 -1.737 8.920 -0.080 56 HB THR 8 HB THR 8 -0.324 10.906 -1.835 57 HG1 THR 8 HG1 THR 8 -2.722 11.428 -0.418 58 HG21 THR 8 HG21 THR 8 -3.194 10.156 -2.093 59 HG22 THR 8 HG22 THR 8 -2.005 8.889 -2.399 60 HG23 THR 8 HG23 THR 8 -1.971 10.376 -3.345 61 H VAL 9 H VAL 9 -0.767 7.539 -1.809 62 HA VAL 9 HA VAL 9 0.931 5.991 -2.398 63 HB VAL 9 HB VAL 9 2.361 8.664 -2.453 64 HG11 VAL 9 HG11 VAL 9 3.239 5.979 -3.057 65 HG12 VAL 9 HG12 VAL 9 4.157 7.482 -3.126 66 HG13 VAL 9 HG13 VAL 9 3.229 6.951 -4.528 67 HG21 VAL 9 HG21 VAL 9 1.654 7.975 -5.035 68 HG22 VAL 9 HG22 VAL 9 0.770 9.109 -4.013 69 HG23 VAL 9 HG23 VAL 9 0.265 7.420 -4.101 70 H GLY 10 H GLY 10 0.646 6.563 0.517 71 HA2 GLY 10 HA2 GLY 10 2.896 7.005 2.013 72 HA3 GLY 10 HA3 GLY 10 1.778 5.700 2.407 73 HA PRO 11 HA PRO 11 5.645 4.099 -0.041 74 HB2 PRO 11 HB2 PRO 11 7.928 5.182 1.020 75 HB3 PRO 11 HB3 PRO 11 7.099 5.862 -0.394 76 HG2 PRO 11 HG2 PRO 11 7.006 6.732 2.454 77 HG3 PRO 11 HG3 PRO 11 7.063 7.708 0.977 78 HD2 PRO 11 HD2 PRO 11 4.775 7.284 2.380 79 HD3 PRO 11 HD3 PRO 11 4.799 7.548 0.621 80 H SER 12 H SER 12 5.892 5.113 3.377 81 HA SER 12 HA SER 12 7.320 2.772 4.274 82 HB2 SER 12 HB2 SER 12 7.435 4.614 5.700 83 HB3 SER 12 HB3 SER 12 5.739 5.026 5.465 84 HG SER 12 HG SER 12 5.157 3.457 6.855 85 H VAL 13 H VAL 13 3.872 3.694 4.685 86 HA VAL 13 HA VAL 13 2.965 1.254 5.794 87 HB VAL 13 HB VAL 13 1.614 3.271 3.970 88 HG11 VAL 13 HG11 VAL 13 0.675 0.772 5.089 89 HG12 VAL 13 HG12 VAL 13 -0.169 1.896 4.023 90 HG13 VAL 13 HG13 VAL 13 -0.229 2.124 5.770 91 HG21 VAL 13 HG21 VAL 13 0.793 4.205 6.121 92 HG22 VAL 13 HG22 VAL 13 2.554 4.240 6.028 93 HG23 VAL 13 HG23 VAL 13 1.747 3.005 6.992 94 H TRP 14 H TRP 14 3.661 2.129 2.454 95 HA TRP 14 HA TRP 14 2.266 0.000 1.141 96 HB2 TRP 14 HB2 TRP 14 3.062 1.879 -0.102 97 HB3 TRP 14 HB3 TRP 14 4.701 1.686 0.521 98 HD1 TRP 14 HD1 TRP 14 6.289 0.570 -1.103 99 HE1 TRP 14 HE1 TRP 14 6.074 -1.084 -3.069 100 HE3 TRP 14 HE3 TRP 14 1.258 -0.301 -0.978 101 HZ2 TRP 14 HZ2 TRP 14 4.037 -2.579 -4.410 102 HZ3 TRP 14 HZ3 TRP 14 0.208 -1.842 -2.608 103 HH2 TRP 14 HH2 TRP 14 1.590 -2.982 -4.323 104 H ALA 15 H ALA 15 5.598 0.234 2.406 105 HA ALA 15 HA ALA 15 6.456 -2.367 1.524 106 HB1 ALA 15 HB1 ALA 15 8.125 -1.906 3.485 107 HB2 ALA 15 HB2 ALA 15 7.301 -0.351 3.600 108 HB3 ALA 15 HB3 ALA 15 8.122 -0.807 2.106 109 H TYR 16 H TYR 16 4.579 -1.264 4.268 110 HA TYR 16 HA TYR 16 4.945 -3.631 5.910 111 HB2 TYR 16 HB2 TYR 16 4.009 -1.100 6.253 112 HB3 TYR 16 HB3 TYR 16 2.487 -1.983 6.133 113 HD1 TYR 16 HD1 TYR 16 5.847 -2.291 7.778 114 HD2 TYR 16 HD2 TYR 16 1.610 -2.926 8.074 115 HE1 TYR 16 HE1 TYR 16 6.130 -3.095 10.108 116 HE2 TYR 16 HE2 TYR 16 1.892 -3.730 10.402 117 HH TYR 16 HH TYR 16 3.918 -4.834 11.731 118 H LEU 17 H LEU 17 2.421 -2.541 3.626 119 HA LEU 17 HA LEU 17 0.778 -4.906 4.010 120 HB2 LEU 17 HB2 LEU 17 -0.614 -3.344 3.139 121 HB3 LEU 17 HB3 LEU 17 0.747 -2.344 2.647 122 HG LEU 17 HG LEU 17 1.002 -3.793 0.615 123 HD11 LEU 17 HD11 LEU 17 -0.241 -5.661 0.313 124 HD12 LEU 17 HD12 LEU 17 -1.725 -4.848 0.806 125 HD13 LEU 17 HD13 LEU 17 -0.644 -5.523 2.024 126 HD21 LEU 17 HD21 LEU 17 -0.424 -1.636 0.789 127 HD22 LEU 17 HD22 LEU 17 -1.816 -2.718 0.776 128 HD23 LEU 17 HD23 LEU 17 -0.710 -2.689 -0.598 129 H VAL 18 H VAL 18 3.420 -3.998 1.903 130 HA VAL 18 HA VAL 18 3.021 -6.144 -0.029 131 HB VAL 18 HB VAL 18 5.402 -4.390 0.663 132 HG11 VAL 18 HG11 VAL 18 6.457 -5.875 -0.707 133 HG12 VAL 18 HG12 VAL 18 5.611 -5.014 -1.991 134 HG13 VAL 18 HG13 VAL 18 4.941 -6.511 -1.344 135 HG21 VAL 18 HG21 VAL 18 3.809 -3.926 -1.789 136 HG22 VAL 18 HG22 VAL 18 4.480 -2.762 -0.646 137 HG23 VAL 18 HG23 VAL 18 2.964 -3.585 -0.278 138 H ALA 19 H ALA 19 4.978 -5.674 2.898 139 HA ALA 19 HA ALA 19 6.479 -8.145 2.622 140 HB1 ALA 19 HB1 ALA 19 6.446 -7.392 5.307 141 HB2 ALA 19 HB2 ALA 19 6.175 -5.876 4.447 142 HB3 ALA 19 HB3 ALA 19 7.609 -6.843 4.099 143 H LEU 20 H LEU 20 3.439 -7.217 4.178 144 HA LEU 20 HA LEU 20 3.096 -9.633 5.726 145 HB2 LEU 20 HB2 LEU 20 1.569 -7.234 4.895 146 HB3 LEU 20 HB3 LEU 20 0.587 -8.645 5.289 147 HG LEU 20 HG LEU 20 2.821 -7.864 7.132 148 HD11 LEU 20 HD11 LEU 20 1.196 -5.884 6.480 149 HD12 LEU 20 HD12 LEU 20 1.618 -6.164 8.170 150 HD13 LEU 20 HD13 LEU 20 0.072 -6.735 7.539 151 HD21 LEU 20 HD21 LEU 20 1.883 -9.531 8.322 152 HD22 LEU 20 HD22 LEU 20 0.665 -9.746 7.065 153 HD23 LEU 20 HD23 LEU 20 0.373 -8.624 8.394 154 H VAL 21 H VAL 21 1.662 -8.559 2.617 155 HA VAL 21 HA VAL 21 0.265 -10.998 2.071 156 HB VAL 21 HB VAL 21 1.350 -8.735 0.378 157 HG11 VAL 21 HG11 VAL 21 0.011 -11.274 -0.396 158 HG12 VAL 21 HG12 VAL 21 1.103 -10.250 -1.326 159 HG13 VAL 21 HG13 VAL 21 -0.595 -9.804 -1.161 160 HG21 VAL 21 HG21 VAL 21 -0.392 -7.899 1.704 161 HG22 VAL 21 HG22 VAL 21 -1.272 -9.426 1.685 162 HG23 VAL 21 HG23 VAL 21 -1.251 -8.402 0.249 163 H GLY 22 H GLY 22 3.455 -9.820 0.946 164 HA2 GLY 22 HA2 GLY 22 4.148 -11.997 -0.696 165 HA3 GLY 22 HA3 GLY 22 5.323 -11.026 0.191 166 H ALA 23 H ALA 23 4.633 -11.620 2.821 167 HA ALA 23 HA ALA 23 5.851 -14.234 3.156 168 HB1 ALA 23 HB1 ALA 23 5.911 -13.597 5.417 169 HB2 ALA 23 HB2 ALA 23 4.407 -12.684 5.295 170 HB3 ALA 23 HB3 ALA 23 5.890 -12.038 4.592 171 H ALA 24 H ALA 24 2.570 -13.062 2.979 172 HA ALA 24 HA ALA 24 1.388 -15.401 4.310 173 HB1 ALA 24 HB1 ALA 24 -0.593 -14.062 2.910 174 HB2 ALA 24 HB2 ALA 24 0.600 -12.796 3.199 175 HB3 ALA 24 HB3 ALA 24 -0.088 -13.687 4.557 176 H ALA 25 H ALA 25 2.529 -14.648 1.153 177 HA ALA 25 HA ALA 25 0.707 -16.438 -0.292 178 HB1 ALA 25 HB1 ALA 25 3.048 -14.669 -0.842 179 HB2 ALA 25 HB2 ALA 25 1.482 -14.732 -1.648 180 HB3 ALA 25 HB3 ALA 25 2.708 -15.945 -2.011 181 H VAL 26 H VAL 26 3.528 -16.828 1.606 182 HA VAL 26 HA VAL 26 4.483 -19.234 0.180 183 HB VAL 26 HB VAL 26 5.302 -17.813 2.733 184 HG11 VAL 26 HG11 VAL 26 7.445 -19.322 1.794 185 HG12 VAL 26 HG12 VAL 26 6.061 -20.397 1.599 186 HG13 VAL 26 HG13 VAL 26 6.433 -19.717 3.184 187 HG21 VAL 26 HG21 VAL 26 6.791 -17.939 0.108 188 HG22 VAL 26 HG22 VAL 26 7.009 -16.800 1.437 189 HG23 VAL 26 HG23 VAL 26 5.577 -16.697 0.414 190 H THR 27 H THR 27 2.222 -18.458 2.645 191 HA THR 27 HA THR 27 2.436 -20.934 4.172 192 HB THR 27 HB THR 27 0.276 -18.816 3.921 193 HG1 THR 27 HG1 THR 27 2.211 -19.181 5.950 194 HG21 THR 27 HG21 THR 27 0.638 -21.184 5.734 195 HG22 THR 27 HG22 THR 27 -0.824 -20.614 4.929 196 HG23 THR 27 HG23 THR 27 -0.188 -19.742 6.325 197 H ALA 28 H ALA 28 0.909 -19.971 1.213 198 HA ALA 28 HA ALA 28 -1.135 -22.081 1.244 199 HB1 ALA 28 HB1 ALA 28 -1.803 -21.075 -0.792 200 HB2 ALA 28 HB2 ALA 28 -0.176 -20.480 -1.128 201 HB3 ALA 28 HB3 ALA 28 -1.147 -19.728 0.139 202 H ALA 29 H ALA 29 2.163 -21.692 0.143 203 HA ALA 29 HA ALA 29 2.044 -24.057 -1.629 204 HB1 ALA 29 HB1 ALA 29 3.461 -22.417 -2.472 205 HB2 ALA 29 HB2 ALA 29 4.623 -23.396 -1.577 206 HB3 ALA 29 HB3 ALA 29 3.992 -21.909 -0.869 207 H ASN 30 H ASN 30 3.478 -25.918 -1.235 208 HA ASN 30 HA ASN 30 4.047 -26.352 1.682 209 HB2 ASN 30 HB2 ASN 30 2.096 -27.587 0.674 210 HB3 ASN 30 HB3 ASN 30 3.227 -28.372 -0.429 211 HD21 ASN 30 HD21 ASN 30 2.239 -28.152 2.975 212 HD22 ASN 30 HD22 ASN 30 3.082 -29.532 3.487 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -13.654 3.627 1.830 2 H3 PRO 1 HT2 PRO 1 -15.220 4.107 2.075 3 HA PRO 1 HA PRO 1 -14.572 6.164 2.066 4 HB2 PRO 1 HB2 PRO 1 -12.880 6.552 4.178 5 HB3 PRO 1 HB3 PRO 1 -14.631 6.325 4.376 6 HG2 PRO 1 HG2 PRO 1 -12.421 4.356 4.691 7 HG3 PRO 1 HG3 PRO 1 -13.862 4.607 5.693 8 HD2 PRO 1 HD2 PRO 1 -13.695 2.615 3.897 9 HD3 PRO 1 HD3 PRO 1 -15.225 3.433 4.268 10 H ALA 2 H ALA 2 -12.363 7.605 2.305 11 HA ALA 2 HA ALA 2 -9.987 6.176 1.292 12 HB1 ALA 2 HB1 ALA 2 -11.251 6.403 -0.737 13 HB2 ALA 2 HB2 ALA 2 -10.035 7.680 -0.779 14 HB3 ALA 2 HB3 ALA 2 -11.701 8.062 -0.345 15 H ILE 3 H ILE 3 -10.298 7.671 3.659 16 HA ILE 3 HA ILE 3 -9.683 10.438 3.522 17 HB ILE 3 HB ILE 3 -8.922 8.256 5.490 18 HG12 ILE 3 HG12 ILE 3 -11.349 8.588 5.126 19 HG13 ILE 3 HG13 ILE 3 -10.869 9.116 6.740 20 HG21 ILE 3 HG21 ILE 3 -8.898 11.271 5.835 21 HG22 ILE 3 HG22 ILE 3 -7.469 10.240 5.747 22 HG23 ILE 3 HG23 ILE 3 -8.584 10.087 7.105 23 HD11 ILE 3 HD11 ILE 3 -11.604 10.785 4.347 24 HD12 ILE 3 HD12 ILE 3 -10.557 11.453 5.599 25 HD13 ILE 3 HD13 ILE 3 -12.184 10.910 6.007 26 H TYR 4 H TYR 4 -7.172 8.340 4.816 27 HA TYR 4 HA TYR 4 -5.195 9.718 3.058 28 HB2 TYR 4 HB2 TYR 4 -5.396 8.981 5.821 29 HB3 TYR 4 HB3 TYR 4 -3.985 8.188 5.122 30 HD1 TYR 4 HD2 TYR 4 -2.760 9.856 3.293 31 HD2 TYR 4 HD1 TYR 4 -4.940 11.039 6.798 32 HE1 TYR 4 HE2 TYR 4 -1.518 12.004 3.339 33 HE2 TYR 4 HE1 TYR 4 -3.698 13.188 6.846 34 HH TYR 4 HH TYR 4 -1.801 14.272 4.225 35 H ILE 5 H ILE 5 -6.909 7.323 2.490 36 HA ILE 5 HA ILE 5 -4.931 5.145 2.161 37 HB ILE 5 HB ILE 5 -7.873 5.417 1.510 38 HG12 ILE 5 HG12 ILE 5 -6.389 4.159 3.838 39 HG13 ILE 5 HG13 ILE 5 -7.478 5.544 3.905 40 HG21 ILE 5 HG21 ILE 5 -7.135 3.671 0.132 41 HG22 ILE 5 HG22 ILE 5 -7.613 2.812 1.596 42 HG23 ILE 5 HG23 ILE 5 -5.911 3.149 1.288 43 HD11 ILE 5 HD11 ILE 5 -8.114 2.642 3.621 44 HD12 ILE 5 HD12 ILE 5 -9.151 3.787 2.769 45 HD13 ILE 5 HD13 ILE 5 -8.968 3.898 4.520 46 H GLY 6 H GLY 6 -4.859 7.715 0.656 47 HA2 GLY 6 HA2 GLY 6 -4.084 6.702 -1.905 48 HA3 GLY 6 HA3 GLY 6 -5.682 7.435 -2.036 49 H ALA 7 H ALA 7 -2.682 8.297 -0.283 50 HA ALA 7 HA ALA 7 -2.862 11.008 -1.561 51 HB1 ALA 7 HB1 ALA 7 -1.776 11.637 0.755 52 HB2 ALA 7 HB2 ALA 7 -2.453 10.094 1.274 53 HB3 ALA 7 HB3 ALA 7 -3.516 11.362 0.660 54 H THR 8 H THR 8 -1.272 8.643 -2.373 55 HA THR 8 HA THR 8 0.981 8.010 -2.794 56 HB THR 8 HB THR 8 0.322 10.047 -4.194 57 HG1 THR 8 HG1 THR 8 2.153 9.655 -5.096 58 HG21 THR 8 HG21 THR 8 1.720 12.107 -3.581 59 HG22 THR 8 HG22 THR 8 1.885 11.385 -1.982 60 HG23 THR 8 HG23 THR 8 0.288 11.806 -2.599 61 H VAL 9 H VAL 9 3.332 9.647 -2.322 62 HA VAL 9 HA VAL 9 4.959 9.809 -0.606 63 HB VAL 9 HB VAL 9 2.476 11.037 0.633 64 HG11 VAL 9 HG11 VAL 9 5.366 10.991 1.426 65 HG12 VAL 9 HG12 VAL 9 3.928 10.916 2.443 66 HG13 VAL 9 HG13 VAL 9 4.423 12.450 1.730 67 HG21 VAL 9 HG21 VAL 9 4.462 12.888 -0.338 68 HG22 VAL 9 HG22 VAL 9 2.777 12.724 -0.832 69 HG23 VAL 9 HG23 VAL 9 4.027 11.765 -1.626 70 H GLY 10 H GLY 10 3.220 7.328 -0.629 71 HA2 GLY 10 HA2 GLY 10 3.488 6.647 2.273 72 HA3 GLY 10 HA3 GLY 10 2.199 5.992 1.261 73 HA PRO 11 HA PRO 11 6.133 3.927 -0.459 74 HB2 PRO 11 HB2 PRO 11 8.542 4.603 0.652 75 HB3 PRO 11 HB3 PRO 11 7.835 5.474 -0.723 76 HG2 PRO 11 HG2 PRO 11 7.883 6.209 2.159 77 HG3 PRO 11 HG3 PRO 11 8.054 7.237 0.729 78 HD2 PRO 11 HD2 PRO 11 5.749 7.030 2.183 79 HD3 PRO 11 HD3 PRO 11 5.794 7.456 0.458 80 H SER 12 H SER 12 6.706 4.761 2.982 81 HA SER 12 HA SER 12 7.643 2.154 3.758 82 HB2 SER 12 HB2 SER 12 8.188 3.696 5.354 83 HB3 SER 12 HB3 SER 12 6.802 4.714 4.971 84 HG SER 12 HG SER 12 5.826 3.839 6.600 85 H VAL 13 H VAL 13 4.501 3.724 4.512 86 HA VAL 13 HA VAL 13 3.106 1.612 5.619 87 HB VAL 13 HB VAL 13 2.267 3.711 3.603 88 HG11 VAL 13 HG11 VAL 13 0.657 1.833 3.576 89 HG12 VAL 13 HG12 VAL 13 -0.049 3.269 4.320 90 HG13 VAL 13 HG13 VAL 13 0.513 1.938 5.332 91 HG21 VAL 13 HG21 VAL 13 1.565 4.953 5.528 92 HG22 VAL 13 HG22 VAL 13 3.179 4.348 5.902 93 HG23 VAL 13 HG23 VAL 13 1.759 3.553 6.583 94 H TRP 14 H TRP 14 3.452 2.233 2.108 95 HA TRP 14 HA TRP 14 1.969 0.030 1.137 96 HB2 TRP 14 HB2 TRP 14 2.663 1.668 -0.404 97 HB3 TRP 14 HB3 TRP 14 4.323 1.658 0.191 98 HD1 TRP 14 HD1 TRP 14 5.993 0.262 -1.123 99 HE1 TRP 14 HE1 TRP 14 5.842 -1.549 -2.950 100 HE3 TRP 14 HE3 TRP 14 0.935 -0.441 -1.257 101 HZ2 TRP 14 HZ2 TRP 14 3.843 -3.094 -4.291 102 HZ3 TRP 14 HZ3 TRP 14 -0.064 -2.087 -2.817 103 HH2 TRP 14 HH2 TRP 14 1.383 -3.414 -4.333 104 H ALA 15 H ALA 15 5.525 0.189 1.628 105 HA ALA 15 HA ALA 15 6.135 -2.506 1.083 106 HB1 ALA 15 HB1 ALA 15 7.611 -1.321 3.327 107 HB2 ALA 15 HB2 ALA 15 7.414 -0.210 1.971 108 HB3 ALA 15 HB3 ALA 15 8.190 -1.774 1.724 109 H TYR 16 H TYR 16 4.562 -1.108 3.877 110 HA TYR 16 HA TYR 16 5.047 -3.336 5.685 111 HB2 TYR 16 HB2 TYR 16 4.253 -0.761 5.927 112 HB3 TYR 16 HB3 TYR 16 2.681 -1.558 5.992 113 HD1 TYR 16 HD1 TYR 16 6.128 -1.770 7.444 114 HD2 TYR 16 HD2 TYR 16 1.932 -2.497 8.004 115 HE1 TYR 16 HE1 TYR 16 6.557 -2.431 9.795 116 HE2 TYR 16 HE2 TYR 16 2.361 -3.161 10.356 117 HH TYR 16 HH TYR 16 3.948 -2.985 12.054 118 H LEU 17 H LEU 17 2.404 -2.401 3.489 119 HA LEU 17 HA LEU 17 0.654 -4.572 4.292 120 HB2 LEU 17 HB2 LEU 17 -0.701 -3.092 3.242 121 HB3 LEU 17 HB3 LEU 17 0.689 -2.239 2.582 122 HG LEU 17 HG LEU 17 0.795 -3.962 0.756 123 HD11 LEU 17 HD11 LEU 17 -1.055 -5.279 2.455 124 HD12 LEU 17 HD12 LEU 17 -0.458 -5.825 0.889 125 HD13 LEU 17 HD13 LEU 17 -1.930 -4.859 0.983 126 HD21 LEU 17 HD21 LEU 17 -0.943 -1.770 1.074 127 HD22 LEU 17 HD22 LEU 17 -1.930 -3.045 0.359 128 HD23 LEU 17 HD23 LEU 17 -0.452 -2.515 -0.447 129 H VAL 18 H VAL 18 3.265 -4.212 2.005 130 HA VAL 18 HA VAL 18 2.592 -6.668 0.520 131 HB VAL 18 HB VAL 18 5.135 -5.024 0.472 132 HG11 VAL 18 HG11 VAL 18 4.446 -5.781 -2.097 133 HG12 VAL 18 HG12 VAL 18 3.938 -7.169 -1.136 134 HG13 VAL 18 HG13 VAL 18 5.611 -6.616 -1.069 135 HG21 VAL 18 HG21 VAL 18 3.846 -3.261 -0.124 136 HG22 VAL 18 HG22 VAL 18 2.402 -4.268 -0.241 137 HG23 VAL 18 HG23 VAL 18 3.507 -4.147 -1.611 138 H ALA 19 H ALA 19 4.692 -5.665 3.162 139 HA ALA 19 HA ALA 19 6.368 -8.047 3.134 140 HB1 ALA 19 HB1 ALA 19 5.788 -5.794 5.069 141 HB2 ALA 19 HB2 ALA 19 7.234 -6.040 4.088 142 HB3 ALA 19 HB3 ALA 19 6.913 -7.093 5.466 143 H LEU 20 H LEU 20 3.418 -7.041 4.839 144 HA LEU 20 HA LEU 20 3.370 -9.447 6.523 145 HB2 LEU 20 HB2 LEU 20 2.078 -6.862 6.302 146 HB3 LEU 20 HB3 LEU 20 0.871 -8.132 6.513 147 HG LEU 20 HG LEU 20 3.322 -7.776 8.262 148 HD11 LEU 20 HD11 LEU 20 1.535 -5.972 8.430 149 HD12 LEU 20 HD12 LEU 20 1.857 -6.855 9.923 150 HD13 LEU 20 HD13 LEU 20 0.428 -7.237 8.963 151 HD21 LEU 20 HD21 LEU 20 0.961 -9.666 8.276 152 HD22 LEU 20 HD22 LEU 20 1.920 -9.365 9.727 153 HD23 LEU 20 HD23 LEU 20 2.679 -10.069 8.299 154 H VAL 21 H VAL 21 1.639 -8.230 3.652 155 HA VAL 21 HA VAL 21 -0.099 -10.578 3.480 156 HB VAL 21 HB VAL 21 0.570 -8.316 1.566 157 HG11 VAL 21 HG11 VAL 21 -0.518 -9.648 0.080 158 HG12 VAL 21 HG12 VAL 21 -1.969 -9.189 0.971 159 HG13 VAL 21 HG13 VAL 21 -1.146 -10.703 1.346 160 HG21 VAL 21 HG21 VAL 21 -1.786 -7.600 2.377 161 HG22 VAL 21 HG22 VAL 21 -0.437 -7.357 3.485 162 HG23 VAL 21 HG23 VAL 21 -1.522 -8.729 3.707 163 H GLY 22 H GLY 22 3.105 -9.784 2.449 164 HA2 GLY 22 HA2 GLY 22 3.210 -11.546 0.150 165 HA3 GLY 22 HA3 GLY 22 4.605 -10.864 0.990 166 H ALA 23 H ALA 23 3.702 -11.932 3.609 167 HA ALA 23 HA ALA 23 5.092 -14.434 3.580 168 HB1 ALA 23 HB1 ALA 23 4.872 -12.983 5.541 169 HB2 ALA 23 HB2 ALA 23 4.181 -14.563 5.907 170 HB3 ALA 23 HB3 ALA 23 3.123 -13.202 5.535 171 H ALA 24 H ALA 24 1.714 -13.605 3.093 172 HA ALA 24 HA ALA 24 0.558 -16.186 3.604 173 HB1 ALA 24 HB1 ALA 24 -0.588 -14.437 1.494 174 HB2 ALA 24 HB2 ALA 24 -0.321 -13.668 3.059 175 HB3 ALA 24 HB3 ALA 24 -1.350 -15.095 2.943 176 H ALA 25 H ALA 25 1.882 -14.681 0.656 177 HA ALA 25 HA ALA 25 1.193 -16.895 -1.088 178 HB1 ALA 25 HB1 ALA 25 2.122 -14.263 -1.273 179 HB2 ALA 25 HB2 ALA 25 1.857 -15.366 -2.624 180 HB3 ALA 25 HB3 ALA 25 3.456 -15.235 -1.892 181 H VAL 26 H VAL 26 3.619 -16.461 1.287 182 HA VAL 26 HA VAL 26 5.635 -18.172 -0.005 183 HB VAL 26 HB VAL 26 5.287 -16.827 2.682 184 HG11 VAL 26 HG11 VAL 26 7.028 -19.064 1.941 185 HG12 VAL 26 HG12 VAL 26 6.677 -18.397 3.536 186 HG13 VAL 26 HG13 VAL 26 7.929 -17.666 2.529 187 HG21 VAL 26 HG21 VAL 26 7.696 -16.141 1.361 188 HG22 VAL 26 HG22 VAL 26 6.264 -15.131 1.561 189 HG23 VAL 26 HG23 VAL 26 6.440 -16.138 0.124 190 H THR 27 H THR 27 2.841 -18.595 1.982 191 HA THR 27 HA THR 27 3.734 -21.283 2.906 192 HB THR 27 HB THR 27 2.665 -19.524 4.403 193 HG1 THR 27 HG1 THR 27 1.017 -21.791 4.245 194 HG21 THR 27 HG21 THR 27 0.790 -19.488 2.286 195 HG22 THR 27 HG22 THR 27 0.716 -18.585 3.799 196 HG23 THR 27 HG23 THR 27 -0.045 -20.173 3.679 197 H ALA 28 H ALA 28 2.041 -19.857 0.340 198 HA ALA 28 HA ALA 28 0.167 -22.117 -0.059 199 HB1 ALA 28 HB1 ALA 28 -0.540 -19.802 -0.467 200 HB2 ALA 28 HB2 ALA 28 -0.539 -20.696 -1.987 201 HB3 ALA 28 HB3 ALA 28 0.778 -19.584 -1.617 202 H ALA 29 H ALA 29 3.205 -20.856 -1.336 203 HA ALA 29 HA ALA 29 3.238 -22.959 -3.452 204 HB1 ALA 29 HB1 ALA 29 4.404 -21.400 -4.623 205 HB2 ALA 29 HB2 ALA 29 5.488 -21.089 -3.267 206 HB3 ALA 29 HB3 ALA 29 3.930 -20.269 -3.357 207 H ASN 30 H ASN 30 4.314 -22.445 -0.286 208 HA ASN 30 HA ASN 30 6.947 -23.505 -0.256 209 HB2 ASN 30 HB2 ASN 30 5.751 -22.400 1.619 210 HB3 ASN 30 HB3 ASN 30 4.689 -23.802 1.751 211 HD21 ASN 30 HD21 ASN 30 7.105 -22.542 3.437 212 HD22 ASN 30 HD22 ASN 30 7.975 -23.932 3.881 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 2.254 6.807 8.875 2 H3 PRO 1 HT2 PRO 1 2.029 5.190 9.152 3 HA PRO 1 HA PRO 1 0.138 5.290 8.123 4 HB2 PRO 1 HB2 PRO 1 -1.518 6.972 9.499 5 HB3 PRO 1 HB3 PRO 1 -1.082 5.354 10.086 6 HG2 PRO 1 HG2 PRO 1 0.042 8.003 10.844 7 HG3 PRO 1 HG3 PRO 1 -0.375 6.619 11.868 8 HD2 PRO 1 HD2 PRO 1 2.157 7.153 11.149 9 HD3 PRO 1 HD3 PRO 1 1.565 5.495 11.379 10 H ALA 2 H ALA 2 -1.330 6.709 6.797 11 HA ALA 2 HA ALA 2 -0.563 9.529 6.450 12 HB1 ALA 2 HB1 ALA 2 -0.125 8.677 3.894 13 HB2 ALA 2 HB2 ALA 2 0.469 7.289 4.806 14 HB3 ALA 2 HB3 ALA 2 1.158 8.888 5.083 15 H ILE 3 H ILE 3 -3.049 8.081 7.005 16 HA ILE 3 HA ILE 3 -4.659 7.833 4.621 17 HB ILE 3 HB ILE 3 -5.547 8.444 7.453 18 HG12 ILE 3 HG12 ILE 3 -5.514 5.642 6.913 19 HG13 ILE 3 HG13 ILE 3 -3.917 6.281 6.513 20 HG21 ILE 3 HG21 ILE 3 -7.358 6.761 6.672 21 HG22 ILE 3 HG22 ILE 3 -6.760 7.088 5.047 22 HG23 ILE 3 HG23 ILE 3 -7.426 8.398 6.021 23 HD11 ILE 3 HD11 ILE 3 -3.414 6.642 8.685 24 HD12 ILE 3 HD12 ILE 3 -4.825 5.656 9.067 25 HD13 ILE 3 HD13 ILE 3 -4.970 7.412 8.993 26 H TYR 4 H TYR 4 -4.648 10.356 7.176 27 HA TYR 4 HA TYR 4 -5.308 12.378 5.089 28 HB2 TYR 4 HB2 TYR 4 -7.048 11.231 7.045 29 HB3 TYR 4 HB3 TYR 4 -6.796 12.927 7.455 30 HD1 TYR 4 HD2 TYR 4 -6.548 14.367 5.046 31 HD2 TYR 4 HD1 TYR 4 -9.006 10.932 5.821 32 HE1 TYR 4 HE2 TYR 4 -8.076 15.049 3.213 33 HE2 TYR 4 HE1 TYR 4 -10.537 11.613 3.986 34 HH TYR 4 HH TYR 4 -9.927 13.372 1.646 35 H ILE 5 H ILE 5 -3.041 11.602 6.888 36 HA ILE 5 HA ILE 5 -2.749 13.992 8.624 37 HB ILE 5 HB ILE 5 -1.011 11.560 8.160 38 HG12 ILE 5 HG12 ILE 5 -3.062 12.196 10.305 39 HG13 ILE 5 HG13 ILE 5 -3.186 10.933 9.079 40 HG21 ILE 5 HG21 ILE 5 -0.653 14.022 9.665 41 HG22 ILE 5 HG22 ILE 5 0.512 12.743 9.330 42 HG23 ILE 5 HG23 ILE 5 -0.572 12.609 10.715 43 HD11 ILE 5 HD11 ILE 5 -0.714 10.477 10.308 44 HD12 ILE 5 HD12 ILE 5 -2.191 9.543 10.548 45 HD13 ILE 5 HD13 ILE 5 -1.803 10.877 11.637 46 H GLY 6 H GLY 6 -2.650 14.018 5.646 47 HA2 GLY 6 HA2 GLY 6 -1.171 16.006 4.809 48 HA3 GLY 6 HA3 GLY 6 0.157 14.906 5.187 49 H ALA 7 H ALA 7 -2.027 12.769 4.294 50 HA ALA 7 HA ALA 7 -2.201 11.444 2.339 51 HB1 ALA 7 HB1 ALA 7 -3.686 13.583 2.148 52 HB2 ALA 7 HB2 ALA 7 -3.412 12.616 0.699 53 HB3 ALA 7 HB3 ALA 7 -2.496 14.100 0.955 54 H THR 8 H THR 8 0.044 10.796 2.251 55 HA THR 8 HA THR 8 1.651 12.256 0.177 56 HB THR 8 HB THR 8 2.902 10.485 2.236 57 HG1 THR 8 HG1 THR 8 2.091 11.621 3.783 58 HG21 THR 8 HG21 THR 8 4.424 12.659 2.154 59 HG22 THR 8 HG22 THR 8 3.585 12.906 0.622 60 HG23 THR 8 HG23 THR 8 4.521 11.435 0.886 61 H VAL 9 H VAL 9 3.541 10.430 -0.430 62 HA VAL 9 HA VAL 9 2.155 8.459 -2.014 63 HB VAL 9 HB VAL 9 5.029 8.981 -1.224 64 HG11 VAL 9 HG11 VAL 9 5.202 6.704 -1.667 65 HG12 VAL 9 HG12 VAL 9 5.380 7.364 -3.294 66 HG13 VAL 9 HG13 VAL 9 3.827 6.710 -2.771 67 HG21 VAL 9 HG21 VAL 9 3.204 9.946 -3.239 68 HG22 VAL 9 HG22 VAL 9 4.554 9.119 -4.017 69 HG23 VAL 9 HG23 VAL 9 4.859 10.462 -2.915 70 H GLY 10 H GLY 10 3.127 8.504 1.276 71 HA2 GLY 10 HA2 GLY 10 3.331 6.807 2.897 72 HA3 GLY 10 HA3 GLY 10 1.956 6.105 2.042 73 HA PRO 11 HA PRO 11 5.758 4.138 -0.070 74 HB2 PRO 11 HB2 PRO 11 8.238 4.836 0.855 75 HB3 PRO 11 HB3 PRO 11 7.411 5.711 -0.451 76 HG2 PRO 11 HG2 PRO 11 7.667 6.413 2.430 77 HG3 PRO 11 HG3 PRO 11 7.725 7.460 1.003 78 HD2 PRO 11 HD2 PRO 11 5.533 7.227 2.606 79 HD3 PRO 11 HD3 PRO 11 5.446 7.640 0.880 80 H SER 12 H SER 12 6.583 4.932 3.327 81 HA SER 12 HA SER 12 7.665 2.385 4.027 82 HB2 SER 12 HB2 SER 12 6.473 4.754 5.417 83 HB3 SER 12 HB3 SER 12 6.735 3.291 6.362 84 HG SER 12 HG SER 12 8.502 5.096 5.781 85 H VAL 13 H VAL 13 4.382 3.687 4.686 86 HA VAL 13 HA VAL 13 3.227 1.345 5.750 87 HB VAL 13 HB VAL 13 2.179 3.650 4.097 88 HG11 VAL 13 HG11 VAL 13 0.548 2.013 3.647 89 HG12 VAL 13 HG12 VAL 13 -0.087 2.828 5.077 90 HG13 VAL 13 HG13 VAL 13 0.724 1.270 5.236 91 HG21 VAL 13 HG21 VAL 13 1.120 4.123 6.402 92 HG22 VAL 13 HG22 VAL 13 2.863 4.352 6.262 93 HG23 VAL 13 HG23 VAL 13 2.224 2.896 7.023 94 H TRP 14 H TRP 14 3.673 2.318 2.360 95 HA TRP 14 HA TRP 14 2.138 0.285 1.101 96 HB2 TRP 14 HB2 TRP 14 3.011 2.186 -0.103 97 HB3 TRP 14 HB3 TRP 14 4.667 1.778 0.346 98 HD1 TRP 14 HD1 TRP 14 5.934 0.694 -1.553 99 HE1 TRP 14 HE1 TRP 14 5.354 -0.864 -3.523 100 HE3 TRP 14 HE3 TRP 14 0.920 0.111 -0.772 101 HZ2 TRP 14 HZ2 TRP 14 3.067 -2.182 -4.622 102 HZ3 TRP 14 HZ3 TRP 14 -0.434 -1.298 -2.295 103 HH2 TRP 14 HH2 TRP 14 0.633 -2.446 -4.218 104 H ALA 15 H ALA 15 5.650 0.317 1.848 105 HA ALA 15 HA ALA 15 6.148 -2.385 1.024 106 HB1 ALA 15 HB1 ALA 15 8.269 -1.794 1.625 107 HB2 ALA 15 HB2 ALA 15 7.762 -1.293 3.238 108 HB3 ALA 15 HB3 ALA 15 7.581 -0.189 1.875 109 H TYR 16 H TYR 16 4.658 -1.048 3.855 110 HA TYR 16 HA TYR 16 5.171 -3.291 5.640 111 HB2 TYR 16 HB2 TYR 16 4.525 -0.784 6.065 112 HB3 TYR 16 HB3 TYR 16 2.872 -1.357 5.843 113 HD1 TYR 16 HD1 TYR 16 2.234 -3.536 7.186 114 HD2 TYR 16 HD2 TYR 16 5.498 -0.928 8.184 115 HE1 TYR 16 HE1 TYR 16 2.223 -4.410 9.506 116 HE2 TYR 16 HE2 TYR 16 5.486 -1.801 10.506 117 HH TYR 16 HH TYR 16 2.954 -3.930 11.654 118 H LEU 17 H LEU 17 2.477 -2.299 3.521 119 HA LEU 17 HA LEU 17 0.788 -4.544 4.287 120 HB2 LEU 17 HB2 LEU 17 -0.619 -2.972 3.450 121 HB3 LEU 17 HB3 LEU 17 0.717 -2.107 2.700 122 HG LEU 17 HG LEU 17 0.649 -3.695 0.795 123 HD11 LEU 17 HD11 LEU 17 -0.636 -5.567 0.792 124 HD12 LEU 17 HD12 LEU 17 -2.015 -4.728 1.501 125 HD13 LEU 17 HD13 LEU 17 -0.721 -5.328 2.537 126 HD21 LEU 17 HD21 LEU 17 -1.682 -2.973 -0.026 127 HD22 LEU 17 HD22 LEU 17 -0.579 -1.681 0.454 128 HD23 LEU 17 HD23 LEU 17 -1.867 -2.193 1.545 129 H VAL 18 H VAL 18 3.183 -3.895 1.810 130 HA VAL 18 HA VAL 18 2.525 -6.182 0.133 131 HB VAL 18 HB VAL 18 4.989 -4.427 0.419 132 HG11 VAL 18 HG11 VAL 18 4.934 -6.848 -0.820 133 HG12 VAL 18 HG12 VAL 18 5.937 -5.503 -1.362 134 HG13 VAL 18 HG13 VAL 18 4.381 -5.808 -2.133 135 HG21 VAL 18 HG21 VAL 18 4.068 -3.187 -1.443 136 HG22 VAL 18 HG22 VAL 18 2.806 -3.320 -0.220 137 HG23 VAL 18 HG23 VAL 18 2.765 -4.359 -1.643 138 H ALA 19 H ALA 19 4.619 -5.598 2.907 139 HA ALA 19 HA ALA 19 6.124 -8.084 2.646 140 HB1 ALA 19 HB1 ALA 19 6.419 -7.275 5.228 141 HB2 ALA 19 HB2 ALA 19 5.854 -5.774 4.493 142 HB3 ALA 19 HB3 ALA 19 7.312 -6.561 3.885 143 H LEU 20 H LEU 20 3.329 -6.978 4.562 144 HA LEU 20 HA LEU 20 3.030 -9.379 6.123 145 HB2 LEU 20 HB2 LEU 20 1.649 -6.857 5.568 146 HB3 LEU 20 HB3 LEU 20 0.525 -8.186 5.848 147 HG LEU 20 HG LEU 20 2.750 -8.227 7.734 148 HD11 LEU 20 HD11 LEU 20 1.589 -6.210 8.988 149 HD12 LEU 20 HD12 LEU 20 1.156 -5.714 7.352 150 HD13 LEU 20 HD13 LEU 20 2.854 -5.903 7.796 151 HD21 LEU 20 HD21 LEU 20 0.696 -9.521 8.027 152 HD22 LEU 20 HD22 LEU 20 -0.268 -8.043 7.990 153 HD23 LEU 20 HD23 LEU 20 0.833 -8.345 9.335 154 H VAL 21 H VAL 21 1.745 -8.342 2.975 155 HA VAL 21 HA VAL 21 -0.019 -10.647 2.678 156 HB VAL 21 HB VAL 21 1.075 -8.577 0.744 157 HG11 VAL 21 HG11 VAL 21 -0.854 -9.238 -0.673 158 HG12 VAL 21 HG12 VAL 21 -1.235 -10.527 0.470 159 HG13 VAL 21 HG13 VAL 21 0.276 -10.573 -0.441 160 HG21 VAL 21 HG21 VAL 21 -0.292 -7.731 2.681 161 HG22 VAL 21 HG22 VAL 21 -1.621 -8.751 2.129 162 HG23 VAL 21 HG23 VAL 21 -1.038 -7.432 1.111 163 H GLY 22 H GLY 22 3.259 -9.785 1.620 164 HA2 GLY 22 HA2 GLY 22 3.582 -12.045 -0.150 165 HA3 GLY 22 HA3 GLY 22 4.891 -11.055 0.499 166 H ALA 23 H ALA 23 3.472 -11.778 3.240 167 HA ALA 23 HA ALA 23 5.303 -13.979 3.853 168 HB1 ALA 23 HB1 ALA 23 3.929 -13.664 6.098 169 HB2 ALA 23 HB2 ALA 23 3.352 -12.207 5.288 170 HB3 ALA 23 HB3 ALA 23 5.078 -12.428 5.580 171 H ALA 24 H ALA 24 1.861 -13.602 3.199 172 HA ALA 24 HA ALA 24 1.182 -16.304 4.138 173 HB1 ALA 24 HB1 ALA 24 -0.389 -14.298 2.489 174 HB2 ALA 24 HB2 ALA 24 -0.306 -14.280 4.250 175 HB3 ALA 24 HB3 ALA 24 -1.051 -15.644 3.416 176 H ALA 25 H ALA 25 2.173 -14.787 1.152 177 HA ALA 25 HA ALA 25 1.129 -16.820 -0.644 178 HB1 ALA 25 HB1 ALA 25 3.525 -15.242 -1.388 179 HB2 ALA 25 HB2 ALA 25 2.137 -14.293 -0.856 180 HB3 ALA 25 HB3 ALA 25 1.980 -15.396 -2.222 181 H VAL 26 H VAL 26 3.490 -17.006 1.699 182 HA VAL 26 HA VAL 26 5.286 -18.797 0.136 183 HB VAL 26 HB VAL 26 5.387 -17.440 2.839 184 HG11 VAL 26 HG11 VAL 26 7.835 -18.457 2.682 185 HG12 VAL 26 HG12 VAL 26 7.016 -19.694 1.730 186 HG13 VAL 26 HG13 VAL 26 6.516 -19.389 3.394 187 HG21 VAL 26 HG21 VAL 26 6.303 -16.844 0.166 188 HG22 VAL 26 HG22 VAL 26 7.686 -16.992 1.251 189 HG23 VAL 26 HG23 VAL 26 6.399 -15.841 1.615 190 H THR 27 H THR 27 2.492 -19.044 1.954 191 HA THR 27 HA THR 27 3.233 -21.717 3.083 192 HB THR 27 HB THR 27 0.667 -20.306 3.692 193 HG1 THR 27 HG1 THR 27 2.050 -19.178 5.344 194 HG21 THR 27 HG21 THR 27 0.891 -21.361 5.773 195 HG22 THR 27 HG22 THR 27 2.645 -21.490 5.625 196 HG23 THR 27 HG23 THR 27 1.600 -22.538 4.666 197 H ALA 28 H ALA 28 1.485 -20.192 0.559 198 HA ALA 28 HA ALA 28 -0.561 -22.271 0.247 199 HB1 ALA 28 HB1 ALA 28 -1.403 -20.798 -1.323 200 HB2 ALA 28 HB2 ALA 28 0.198 -20.381 -1.935 201 HB3 ALA 28 HB3 ALA 28 -0.381 -19.673 -0.427 202 H ALA 29 H ALA 29 2.702 -21.710 -0.855 203 HA ALA 29 HA ALA 29 2.457 -23.744 -3.012 204 HB1 ALA 29 HB1 ALA 29 3.633 -21.480 -3.208 205 HB2 ALA 29 HB2 ALA 29 4.583 -22.878 -3.710 206 HB3 ALA 29 HB3 ALA 29 4.869 -22.137 -2.136 207 H ASN 30 H ASN 30 4.661 -23.099 -0.251 208 HA ASN 30 HA ASN 30 5.907 -25.663 -0.239 209 HB2 ASN 30 HB2 ASN 30 6.402 -23.370 0.954 210 HB3 ASN 30 HB3 ASN 30 5.403 -24.042 2.245 211 HD21 ASN 30 HD21 ASN 30 8.301 -23.544 2.432 212 HD22 ASN 30 HD22 ASN 30 9.037 -25.050 2.693 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 -15.107 8.270 1.524 2 H3 PRO 1 HT2 PRO 1 -16.230 7.632 2.561 3 HA PRO 1 HA PRO 1 -14.753 6.239 3.287 4 HB2 PRO 1 HB2 PRO 1 -13.982 4.627 1.217 5 HB3 PRO 1 HB3 PRO 1 -15.567 4.493 2.006 6 HG2 PRO 1 HG2 PRO 1 -14.831 5.856 -0.536 7 HG3 PRO 1 HG3 PRO 1 -16.235 4.840 -0.166 8 HD2 PRO 1 HD2 PRO 1 -16.394 7.518 -0.232 9 HD3 PRO 1 HD3 PRO 1 -17.361 6.541 0.889 10 H ALA 2 H ALA 2 -12.571 6.388 3.743 11 HA ALA 2 HA ALA 2 -10.596 7.030 1.666 12 HB1 ALA 2 HB1 ALA 2 -11.487 9.229 2.006 13 HB2 ALA 2 HB2 ALA 2 -9.982 9.178 2.926 14 HB3 ALA 2 HB3 ALA 2 -11.528 9.012 3.755 15 H ILE 3 H ILE 3 -10.909 4.885 3.587 16 HA ILE 3 HA ILE 3 -9.032 5.408 5.798 17 HB ILE 3 HB ILE 3 -10.282 2.819 4.836 18 HG12 ILE 3 HG12 ILE 3 -11.947 4.688 5.199 19 HG13 ILE 3 HG13 ILE 3 -12.164 3.309 6.275 20 HG21 ILE 3 HG21 ILE 3 -8.417 2.746 6.544 21 HG22 ILE 3 HG22 ILE 3 -9.948 2.081 7.109 22 HG23 ILE 3 HG23 ILE 3 -9.449 3.694 7.615 23 HD11 ILE 3 HD11 ILE 3 -10.445 5.636 7.107 24 HD12 ILE 3 HD12 ILE 3 -11.261 4.446 8.122 25 HD13 ILE 3 HD13 ILE 3 -12.196 5.700 7.308 26 H TYR 4 H TYR 4 -9.100 2.828 3.307 27 HA TYR 4 HA TYR 4 -6.110 2.943 3.256 28 HB2 TYR 4 HB2 TYR 4 -8.191 0.863 3.234 29 HB3 TYR 4 HB3 TYR 4 -6.877 0.593 2.091 30 HD1 TYR 4 HD1 TYR 4 -4.547 0.365 2.873 31 HD2 TYR 4 HD2 TYR 4 -7.809 0.843 5.623 32 HE1 TYR 4 HE1 TYR 4 -3.080 -0.366 4.737 33 HE2 TYR 4 HE2 TYR 4 -6.344 0.112 7.489 34 HH TYR 4 HH TYR 4 -3.339 0.194 7.601 35 H ILE 5 H ILE 5 -8.100 4.524 1.705 36 HA ILE 5 HA ILE 5 -7.757 3.583 -1.073 37 HB ILE 5 HB ILE 5 -9.080 6.008 0.162 38 HG12 ILE 5 HG12 ILE 5 -10.183 3.358 -0.822 39 HG13 ILE 5 HG13 ILE 5 -10.152 3.924 0.846 40 HG21 ILE 5 HG21 ILE 5 -10.307 5.719 -2.208 41 HG22 ILE 5 HG22 ILE 5 -8.730 5.055 -2.640 42 HG23 ILE 5 HG23 ILE 5 -8.854 6.702 -2.022 43 HD11 ILE 5 HD11 ILE 5 -11.481 5.973 -0.094 44 HD12 ILE 5 HD12 ILE 5 -12.335 4.456 0.191 45 HD13 ILE 5 HD13 ILE 5 -11.841 4.895 -1.444 46 H GLY 6 H GLY 6 -5.515 4.559 0.647 47 HA2 GLY 6 HA2 GLY 6 -4.421 6.533 -1.293 48 HA3 GLY 6 HA3 GLY 6 -4.300 6.876 0.433 49 H ALA 7 H ALA 7 -3.687 4.061 -1.691 50 HA ALA 7 HA ALA 7 -1.209 3.528 -0.101 51 HB1 ALA 7 HB1 ALA 7 -2.165 1.538 -2.053 52 HB2 ALA 7 HB2 ALA 7 -3.353 1.947 -0.816 53 HB3 ALA 7 HB3 ALA 7 -1.766 1.333 -0.347 54 H THR 8 H THR 8 -1.576 5.499 -2.417 55 HA THR 8 HA THR 8 0.365 4.277 -4.345 56 HB THR 8 HB THR 8 -1.111 6.786 -4.954 57 HG1 THR 8 HG1 THR 8 -2.416 4.281 -5.023 58 HG21 THR 8 HG21 THR 8 -0.918 6.045 -7.121 59 HG22 THR 8 HG22 THR 8 -1.132 4.353 -6.672 60 HG23 THR 8 HG23 THR 8 0.424 5.143 -6.415 61 H VAL 9 H VAL 9 0.405 6.163 -1.693 62 HA VAL 9 HA VAL 9 2.620 7.889 -2.752 63 HB VAL 9 HB VAL 9 0.506 8.497 -0.658 64 HG11 VAL 9 HG11 VAL 9 2.999 9.885 -1.548 65 HG12 VAL 9 HG12 VAL 9 2.270 9.809 0.056 66 HG13 VAL 9 HG13 VAL 9 1.591 10.878 -1.172 67 HG21 VAL 9 HG21 VAL 9 -0.416 8.532 -2.916 68 HG22 VAL 9 HG22 VAL 9 0.936 9.511 -3.485 69 HG23 VAL 9 HG23 VAL 9 -0.227 10.191 -2.349 70 H GLY 10 H GLY 10 1.303 7.160 0.492 71 HA2 GLY 10 HA2 GLY 10 3.636 7.207 1.961 72 HA3 GLY 10 HA3 GLY 10 2.328 6.081 2.324 73 HA PRO 11 HA PRO 11 5.774 3.946 -0.302 74 HB2 PRO 11 HB2 PRO 11 8.272 4.729 0.496 75 HB3 PRO 11 HB3 PRO 11 7.405 5.493 -0.851 76 HG2 PRO 11 HG2 PRO 11 7.752 6.430 1.949 77 HG3 PRO 11 HG3 PRO 11 7.733 7.358 0.441 78 HD2 PRO 11 HD2 PRO 11 5.612 7.207 2.164 79 HD3 PRO 11 HD3 PRO 11 5.456 7.529 0.422 80 H SER 12 H SER 12 6.515 5.014 3.029 81 HA SER 12 HA SER 12 7.688 2.530 3.895 82 HB2 SER 12 HB2 SER 12 6.391 4.897 5.263 83 HB3 SER 12 HB3 SER 12 7.109 3.569 6.172 84 HG SER 12 HG SER 12 9.052 3.986 4.946 85 H VAL 13 H VAL 13 4.441 3.916 4.559 86 HA VAL 13 HA VAL 13 3.309 1.695 5.876 87 HB VAL 13 HB VAL 13 1.943 3.553 3.904 88 HG11 VAL 13 HG11 VAL 13 1.001 2.186 6.444 89 HG12 VAL 13 HG12 VAL 13 0.539 1.740 4.803 90 HG13 VAL 13 HG13 VAL 13 0.038 3.295 5.468 91 HG21 VAL 13 HG21 VAL 13 3.088 5.081 5.242 92 HG22 VAL 13 HG22 VAL 13 3.088 4.010 6.642 93 HG23 VAL 13 HG23 VAL 13 1.611 4.857 6.180 94 H TRP 14 H TRP 14 3.383 2.412 2.373 95 HA TRP 14 HA TRP 14 1.894 0.171 1.465 96 HB2 TRP 14 HB2 TRP 14 2.385 1.918 -0.055 97 HB3 TRP 14 HB3 TRP 14 4.100 1.903 0.349 98 HD1 TRP 14 HD1 TRP 14 5.644 0.417 -1.061 99 HE1 TRP 14 HE1 TRP 14 5.287 -1.276 -2.973 100 HE3 TRP 14 HE3 TRP 14 0.553 0.042 -0.970 101 HZ2 TRP 14 HZ2 TRP 14 3.128 -2.610 -4.292 102 HZ3 TRP 14 HZ3 TRP 14 -0.628 -1.444 -2.563 103 HH2 TRP 14 HH2 TRP 14 0.653 -2.770 -4.222 104 H ALA 15 H ALA 15 5.426 0.520 1.956 105 HA ALA 15 HA ALA 15 6.240 -2.054 1.125 106 HB1 ALA 15 HB1 ALA 15 8.241 -1.496 2.231 107 HB2 ALA 15 HB2 ALA 15 7.395 -0.657 3.532 108 HB3 ALA 15 HB3 ALA 15 7.518 0.085 1.937 109 H TYR 16 H TYR 16 4.519 -1.059 3.994 110 HA TYR 16 HA TYR 16 5.095 -3.448 5.566 111 HB2 TYR 16 HB2 TYR 16 4.198 -0.949 6.082 112 HB3 TYR 16 HB3 TYR 16 2.656 -1.801 6.019 113 HD1 TYR 16 HD1 TYR 16 4.240 -4.490 6.908 114 HD2 TYR 16 HD2 TYR 16 3.738 -0.542 8.528 115 HE1 TYR 16 HE1 TYR 16 4.636 -5.375 9.188 116 HE2 TYR 16 HE2 TYR 16 4.135 -1.428 10.809 117 HH TYR 16 HH TYR 16 5.187 -3.326 11.885 118 H LEU 17 H LEU 17 2.201 -2.278 3.792 119 HA LEU 17 HA LEU 17 0.607 -4.601 4.184 120 HB2 LEU 17 HB2 LEU 17 -0.816 -3.203 3.116 121 HB3 LEU 17 HB3 LEU 17 0.527 -2.100 2.850 122 HG LEU 17 HG LEU 17 1.074 -3.563 0.789 123 HD11 LEU 17 HD11 LEU 17 -1.392 -4.795 1.804 124 HD12 LEU 17 HD12 LEU 17 -0.196 -5.438 0.678 125 HD13 LEU 17 HD13 LEU 17 -1.474 -4.372 0.094 126 HD21 LEU 17 HD21 LEU 17 -0.788 -2.402 -0.530 127 HD22 LEU 17 HD22 LEU 17 0.224 -1.350 0.459 128 HD23 LEU 17 HD23 LEU 17 -1.384 -1.810 1.021 129 H VAL 18 H VAL 18 3.314 -4.019 2.084 130 HA VAL 18 HA VAL 18 2.734 -6.287 0.297 131 HB VAL 18 HB VAL 18 5.214 -4.572 0.654 132 HG11 VAL 18 HG11 VAL 18 5.987 -5.464 -1.330 133 HG12 VAL 18 HG12 VAL 18 4.364 -5.785 -1.940 134 HG13 VAL 18 HG13 VAL 18 5.080 -6.855 -0.735 135 HG21 VAL 18 HG21 VAL 18 2.934 -3.418 0.161 136 HG22 VAL 18 HG22 VAL 18 3.065 -4.174 -1.426 137 HG23 VAL 18 HG23 VAL 18 4.299 -3.036 -0.886 138 H ALA 19 H ALA 19 5.084 -5.506 2.877 139 HA ALA 19 HA ALA 19 6.497 -8.003 2.795 140 HB1 ALA 19 HB1 ALA 19 6.884 -7.150 5.303 141 HB2 ALA 19 HB2 ALA 19 6.139 -5.688 4.655 142 HB3 ALA 19 HB3 ALA 19 7.617 -6.322 3.930 143 H LEU 20 H LEU 20 3.454 -7.038 4.231 144 HA LEU 20 HA LEU 20 3.311 -9.407 5.987 145 HB2 LEU 20 HB2 LEU 20 1.834 -6.885 5.472 146 HB3 LEU 20 HB3 LEU 20 0.854 -8.240 6.036 147 HG LEU 20 HG LEU 20 3.431 -7.754 7.449 148 HD11 LEU 20 HD11 LEU 20 1.009 -6.133 8.204 149 HD12 LEU 20 HD12 LEU 20 2.170 -5.503 7.036 150 HD13 LEU 20 HD13 LEU 20 2.692 -5.894 8.675 151 HD21 LEU 20 HD21 LEU 20 0.745 -8.189 8.711 152 HD22 LEU 20 HD22 LEU 20 2.326 -8.787 9.217 153 HD23 LEU 20 HD23 LEU 20 1.500 -9.528 7.846 154 H VAL 21 H VAL 21 1.805 -8.215 2.981 155 HA VAL 21 HA VAL 21 -0.019 -10.450 2.693 156 HB VAL 21 HB VAL 21 1.092 -8.292 0.886 157 HG11 VAL 21 HG11 VAL 21 -0.900 -9.073 -0.608 158 HG12 VAL 21 HG12 VAL 21 -0.731 -10.604 0.252 159 HG13 VAL 21 HG13 VAL 21 0.617 -9.968 -0.691 160 HG21 VAL 21 HG21 VAL 21 -1.145 -7.363 1.102 161 HG22 VAL 21 HG22 VAL 21 -0.528 -7.709 2.717 162 HG23 VAL 21 HG23 VAL 21 -1.698 -8.796 1.968 163 H GLY 22 H GLY 22 3.351 -9.957 1.973 164 HA2 GLY 22 HA2 GLY 22 3.502 -12.116 -0.000 165 HA3 GLY 22 HA3 GLY 22 4.872 -11.242 0.687 166 H ALA 23 H ALA 23 3.555 -11.848 3.433 167 HA ALA 23 HA ALA 23 5.135 -14.224 3.988 168 HB1 ALA 23 HB1 ALA 23 3.484 -12.214 5.402 169 HB2 ALA 23 HB2 ALA 23 5.047 -12.896 5.850 170 HB3 ALA 23 HB3 ALA 23 3.565 -13.791 6.185 171 H ALA 24 H ALA 24 1.866 -13.656 2.991 172 HA ALA 24 HA ALA 24 0.864 -16.237 4.028 173 HB1 ALA 24 HB1 ALA 24 -0.832 -14.885 2.112 174 HB2 ALA 24 HB2 ALA 24 -0.177 -13.720 3.264 175 HB3 ALA 24 HB3 ALA 24 -1.089 -15.115 3.841 176 H ALA 25 H ALA 25 2.029 -14.843 1.005 177 HA ALA 25 HA ALA 25 1.071 -16.977 -0.716 178 HB1 ALA 25 HB1 ALA 25 2.430 -14.460 -0.872 179 HB2 ALA 25 HB2 ALA 25 1.689 -15.375 -2.183 180 HB3 ALA 25 HB3 ALA 25 3.378 -15.651 -1.761 181 H VAL 26 H VAL 26 3.432 -16.943 1.675 182 HA VAL 26 HA VAL 26 5.395 -18.657 0.314 183 HB VAL 26 HB VAL 26 5.031 -17.865 3.222 184 HG11 VAL 26 HG11 VAL 26 7.134 -18.740 3.636 185 HG12 VAL 26 HG12 VAL 26 7.661 -18.543 1.965 186 HG13 VAL 26 HG13 VAL 26 6.579 -19.867 2.399 187 HG21 VAL 26 HG21 VAL 26 5.755 -15.818 2.620 188 HG22 VAL 26 HG22 VAL 26 5.741 -16.317 0.928 189 HG23 VAL 26 HG23 VAL 26 7.196 -16.534 1.899 190 H THR 27 H THR 27 2.496 -19.061 2.176 191 HA THR 27 HA THR 27 3.051 -21.745 3.153 192 HB THR 27 HB THR 27 0.273 -20.766 2.694 193 HG1 THR 27 HG1 THR 27 0.630 -18.915 3.574 194 HG21 THR 27 HG21 THR 27 1.789 -21.821 5.098 195 HG22 THR 27 HG22 THR 27 0.724 -22.758 4.050 196 HG23 THR 27 HG23 THR 27 0.062 -21.473 5.060 197 H ALA 28 H ALA 28 1.459 -20.377 0.290 198 HA ALA 28 HA ALA 28 0.645 -23.036 -0.693 199 HB1 ALA 28 HB1 ALA 28 -0.044 -21.507 -2.671 200 HB2 ALA 28 HB2 ALA 28 0.443 -20.169 -1.627 201 HB3 ALA 28 HB3 ALA 28 -0.858 -21.251 -1.127 202 H ALA 29 H ALA 29 3.172 -20.636 -1.287 203 HA ALA 29 HA ALA 29 4.266 -22.311 -3.506 204 HB1 ALA 29 HB1 ALA 29 4.283 -20.165 -4.307 205 HB2 ALA 29 HB2 ALA 29 5.784 -20.047 -3.389 206 HB3 ALA 29 HB3 ALA 29 4.273 -19.462 -2.691 207 H ASN 30 H ASN 30 6.172 -23.433 -3.202 208 HA ASN 30 HA ASN 30 8.185 -22.668 -1.257 209 HB2 ASN 30 HB2 ASN 30 5.992 -23.814 -0.149 210 HB3 ASN 30 HB3 ASN 30 6.931 -25.260 -0.518 211 HD21 ASN 30 HD21 ASN 30 7.759 -21.959 0.709 212 HD22 ASN 30 HD22 ASN 30 8.705 -22.523 2.001 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 -6.897 18.832 -9.227 2 H3 PRO 1 HT2 PRO 1 -6.541 19.969 -10.381 3 HA PRO 1 HA PRO 1 -4.493 19.296 -9.938 4 HB2 PRO 1 HB2 PRO 1 -3.846 20.985 -7.895 5 HB3 PRO 1 HB3 PRO 1 -4.201 21.551 -9.538 6 HG2 PRO 1 HG2 PRO 1 -5.749 21.877 -7.115 7 HG3 PRO 1 HG3 PRO 1 -5.947 22.660 -8.688 8 HD2 PRO 1 HD2 PRO 1 -7.392 20.393 -7.570 9 HD3 PRO 1 HD3 PRO 1 -7.776 21.378 -8.994 10 H ALA 2 H ALA 2 -2.909 19.138 -7.732 11 HA ALA 2 HA ALA 2 -4.287 17.421 -5.725 12 HB1 ALA 2 HB1 ALA 2 -3.032 16.386 -7.942 13 HB2 ALA 2 HB2 ALA 2 -3.243 15.516 -6.423 14 HB3 ALA 2 HB3 ALA 2 -1.732 16.363 -6.753 15 H ILE 3 H ILE 3 -3.279 20.022 -5.309 16 HA ILE 3 HA ILE 3 -0.598 19.697 -4.062 17 HB ILE 3 HB ILE 3 -2.440 22.046 -4.606 18 HG12 ILE 3 HG12 ILE 3 -1.348 21.027 -6.582 19 HG13 ILE 3 HG13 ILE 3 -0.707 22.638 -6.256 20 HG21 ILE 3 HG21 ILE 3 -1.187 23.310 -3.227 21 HG22 ILE 3 HG22 ILE 3 0.293 22.759 -4.012 22 HG23 ILE 3 HG23 ILE 3 -0.387 21.840 -2.670 23 HD11 ILE 3 HD11 ILE 3 0.573 19.982 -5.563 24 HD12 ILE 3 HD12 ILE 3 1.159 21.530 -4.954 25 HD13 ILE 3 HD13 ILE 3 1.178 21.200 -6.687 26 H TYR 4 H TYR 4 -3.852 20.913 -3.151 27 HA TYR 4 HA TYR 4 -3.129 20.653 -0.286 28 HB2 TYR 4 HB2 TYR 4 -4.726 22.340 -1.914 29 HB3 TYR 4 HB3 TYR 4 -5.817 21.522 -0.796 30 HD1 TYR 4 HD1 TYR 4 -2.879 23.745 -1.071 31 HD2 TYR 4 HD2 TYR 4 -5.689 21.880 1.588 32 HE1 TYR 4 HE1 TYR 4 -2.121 25.228 0.771 33 HE2 TYR 4 HE2 TYR 4 -4.934 23.364 3.430 34 HH TYR 4 HH TYR 4 -2.742 26.036 2.856 35 H ILE 5 H ILE 5 -3.736 18.437 -2.235 36 HA ILE 5 HA ILE 5 -6.172 17.209 -1.072 37 HB ILE 5 HB ILE 5 -4.227 16.428 -3.251 38 HG12 ILE 5 HG12 ILE 5 -5.798 18.441 -3.544 39 HG13 ILE 5 HG13 ILE 5 -5.884 17.189 -4.781 40 HG21 ILE 5 HG21 ILE 5 -5.066 14.346 -2.868 41 HG22 ILE 5 HG22 ILE 5 -6.495 14.964 -3.697 42 HG23 ILE 5 HG23 ILE 5 -6.430 14.964 -1.935 43 HD11 ILE 5 HD11 ILE 5 -7.715 17.250 -2.371 44 HD12 ILE 5 HD12 ILE 5 -7.877 16.256 -3.819 45 HD13 ILE 5 HD13 ILE 5 -8.132 17.997 -3.914 46 H GLY 6 H GLY 6 -3.603 17.613 0.395 47 HA2 GLY 6 HA2 GLY 6 -2.828 16.282 2.261 48 HA3 GLY 6 HA3 GLY 6 -3.336 14.831 1.396 49 H ALA 7 H ALA 7 -2.110 15.298 -1.091 50 HA ALA 7 HA ALA 7 -0.031 14.948 -2.158 51 HB1 ALA 7 HB1 ALA 7 1.019 16.926 -1.877 52 HB2 ALA 7 HB2 ALA 7 1.631 16.381 -0.316 53 HB3 ALA 7 HB3 ALA 7 0.075 17.208 -0.414 54 H THR 8 H THR 8 -0.888 13.104 0.046 55 HA THR 8 HA THR 8 1.594 12.374 1.454 56 HB THR 8 HB THR 8 -0.705 10.521 1.412 57 HG1 THR 8 HG1 THR 8 -2.096 11.944 2.387 58 HG21 THR 8 HG21 THR 8 0.851 12.016 3.534 59 HG22 THR 8 HG22 THR 8 1.002 10.313 3.101 60 HG23 THR 8 HG23 THR 8 -0.463 10.895 3.895 61 H VAL 9 H VAL 9 2.625 10.276 1.167 62 HA VAL 9 HA VAL 9 2.206 9.110 -1.569 63 HB VAL 9 HB VAL 9 4.700 9.396 0.142 64 HG11 VAL 9 HG11 VAL 9 5.800 8.647 -2.051 65 HG12 VAL 9 HG12 VAL 9 4.194 8.120 -2.554 66 HG13 VAL 9 HG13 VAL 9 4.955 7.398 -1.135 67 HG21 VAL 9 HG21 VAL 9 3.391 11.086 -1.845 68 HG22 VAL 9 HG22 VAL 9 5.034 10.667 -2.327 69 HG23 VAL 9 HG23 VAL 9 4.746 11.461 -0.780 70 H GLY 10 H GLY 10 2.493 8.497 1.855 71 HA2 GLY 10 HA2 GLY 10 2.342 6.511 3.101 72 HA3 GLY 10 HA3 GLY 10 1.306 5.950 1.790 73 HA PRO 11 HA PRO 11 5.585 4.588 0.280 74 HB2 PRO 11 HB2 PRO 11 7.809 5.513 1.580 75 HB3 PRO 11 HB3 PRO 11 7.041 6.383 0.238 76 HG2 PRO 11 HG2 PRO 11 6.849 6.870 3.166 77 HG3 PRO 11 HG3 PRO 11 6.920 8.028 1.830 78 HD2 PRO 11 HD2 PRO 11 4.613 7.355 3.133 79 HD3 PRO 11 HD3 PRO 11 4.668 7.928 1.452 80 H SER 12 H SER 12 6.245 5.204 3.761 81 HA SER 12 HA SER 12 7.402 2.698 4.365 82 HB2 SER 12 HB2 SER 12 7.561 4.433 5.959 83 HB3 SER 12 HB3 SER 12 5.835 4.773 5.893 84 HG SER 12 HG SER 12 7.181 2.583 7.079 85 H VAL 13 H VAL 13 4.041 3.645 5.184 86 HA VAL 13 HA VAL 13 2.979 1.217 5.954 87 HB VAL 13 HB VAL 13 1.743 3.272 4.091 88 HG11 VAL 13 HG11 VAL 13 0.713 0.831 5.011 89 HG12 VAL 13 HG12 VAL 13 -0.211 2.170 4.324 90 HG13 VAL 13 HG13 VAL 13 0.003 2.049 6.072 91 HG21 VAL 13 HG21 VAL 13 0.829 4.015 6.451 92 HG22 VAL 13 HG22 VAL 13 2.438 4.523 5.937 93 HG23 VAL 13 HG23 VAL 13 2.256 3.167 7.049 94 H TRP 14 H TRP 14 3.133 2.359 2.555 95 HA TRP 14 HA TRP 14 2.040 0.164 1.229 96 HB2 TRP 14 HB2 TRP 14 2.680 2.118 0.030 97 HB3 TRP 14 HB3 TRP 14 4.340 2.026 0.616 98 HD1 TRP 14 HD1 TRP 14 5.983 1.059 -1.047 99 HE1 TRP 14 HE1 TRP 14 5.851 -0.519 -3.082 100 HE3 TRP 14 HE3 TRP 14 1.012 -0.108 -0.937 101 HZ2 TRP 14 HZ2 TRP 14 3.896 -2.072 -4.477 102 HZ3 TRP 14 HZ3 TRP 14 0.044 -1.638 -2.629 103 HH2 TRP 14 HH2 TRP 14 1.478 -2.621 -4.397 104 H ALA 15 H ALA 15 5.452 0.548 2.251 105 HA ALA 15 HA ALA 15 6.416 -1.943 1.264 106 HB1 ALA 15 HB1 ALA 15 8.212 -1.527 2.955 107 HB2 ALA 15 HB2 ALA 15 7.215 -0.254 3.657 108 HB3 ALA 15 HB3 ALA 15 7.828 -0.088 2.013 109 H TYR 16 H TYR 16 4.781 -1.110 4.302 110 HA TYR 16 HA TYR 16 5.240 -3.607 5.652 111 HB2 TYR 16 HB2 TYR 16 4.475 -1.338 6.557 112 HB3 TYR 16 HB3 TYR 16 2.871 -1.745 5.946 113 HD1 TYR 16 HD2 TYR 16 5.589 -3.631 7.726 114 HD2 TYR 16 HD1 TYR 16 1.444 -2.507 7.618 115 HE1 TYR 16 HE2 TYR 16 5.164 -5.004 9.748 116 HE2 TYR 16 HE1 TYR 16 1.019 -3.880 9.639 117 HH TYR 16 HH TYR 16 2.767 -4.704 11.702 118 H LEU 17 H LEU 17 2.434 -2.410 3.768 119 HA LEU 17 HA LEU 17 0.893 -4.815 3.994 120 HB2 LEU 17 HB2 LEU 17 -0.555 -3.316 3.117 121 HB3 LEU 17 HB3 LEU 17 0.775 -2.207 2.808 122 HG LEU 17 HG LEU 17 1.209 -3.547 0.669 123 HD11 LEU 17 HD11 LEU 17 0.027 -5.455 0.457 124 HD12 LEU 17 HD12 LEU 17 -1.401 -4.453 0.193 125 HD13 LEU 17 HD13 LEU 17 -1.014 -5.028 1.814 126 HD21 LEU 17 HD21 LEU 17 0.265 -1.544 0.093 127 HD22 LEU 17 HD22 LEU 17 -1.034 -1.703 1.276 128 HD23 LEU 17 HD23 LEU 17 -1.140 -2.547 -0.269 129 H VAL 18 H VAL 18 3.562 -3.913 1.944 130 HA VAL 18 HA VAL 18 3.111 -5.884 -0.139 131 HB VAL 18 HB VAL 18 5.428 -4.194 0.816 132 HG11 VAL 18 HG11 VAL 18 6.806 -5.665 -0.216 133 HG12 VAL 18 HG12 VAL 18 6.092 -5.086 -1.721 134 HG13 VAL 18 HG13 VAL 18 5.457 -6.537 -0.946 135 HG21 VAL 18 HG21 VAL 18 3.734 -4.187 -1.703 136 HG22 VAL 18 HG22 VAL 18 5.020 -3.040 -1.328 137 HG23 VAL 18 HG23 VAL 18 3.555 -3.074 -0.347 138 H ALA 19 H ALA 19 5.687 -5.743 2.360 139 HA ALA 19 HA ALA 19 6.623 -8.385 2.095 140 HB1 ALA 19 HB1 ALA 19 6.638 -6.210 4.086 141 HB2 ALA 19 HB2 ALA 19 7.969 -7.216 3.516 142 HB3 ALA 19 HB3 ALA 19 6.888 -7.814 4.775 143 H LEU 20 H LEU 20 3.752 -7.178 3.743 144 HA LEU 20 HA LEU 20 3.193 -9.522 5.320 145 HB2 LEU 20 HB2 LEU 20 1.842 -7.041 4.396 146 HB3 LEU 20 HB3 LEU 20 0.779 -8.358 4.892 147 HG LEU 20 HG LEU 20 3.112 -7.552 6.614 148 HD11 LEU 20 HD11 LEU 20 0.465 -6.463 7.337 149 HD12 LEU 20 HD12 LEU 20 1.192 -5.726 5.911 150 HD13 LEU 20 HD13 LEU 20 2.057 -5.714 7.446 151 HD21 LEU 20 HD21 LEU 20 1.540 -8.432 8.376 152 HD22 LEU 20 HD22 LEU 20 2.011 -9.639 7.180 153 HD23 LEU 20 HD23 LEU 20 0.424 -8.875 7.086 154 H VAL 21 H VAL 21 1.915 -8.428 2.149 155 HA VAL 21 HA VAL 21 0.215 -10.619 1.609 156 HB VAL 21 HB VAL 21 1.902 -8.782 -0.104 157 HG11 VAL 21 HG11 VAL 21 0.104 -9.642 -1.874 158 HG12 VAL 21 HG12 VAL 21 0.171 -11.097 -0.880 159 HG13 VAL 21 HG13 VAL 21 1.635 -10.486 -1.648 160 HG21 VAL 21 HG21 VAL 21 -1.052 -8.762 -0.211 161 HG22 VAL 21 HG22 VAL 21 0.078 -7.415 -0.077 162 HG23 VAL 21 HG23 VAL 21 -0.373 -8.333 1.361 163 H GLY 22 H GLY 22 3.669 -10.225 0.737 164 HA2 GLY 22 HA2 GLY 22 3.952 -12.785 -0.497 165 HA3 GLY 22 HA3 GLY 22 5.281 -11.830 0.163 166 H ALA 23 H ALA 23 4.150 -11.743 2.869 167 HA ALA 23 HA ALA 23 5.363 -14.073 3.983 168 HB1 ALA 23 HB1 ALA 23 3.366 -12.041 5.019 169 HB2 ALA 23 HB2 ALA 23 5.117 -12.017 5.222 170 HB3 ALA 23 HB3 ALA 23 4.151 -13.236 6.053 171 H ALA 24 H ALA 24 2.046 -13.409 2.972 172 HA ALA 24 HA ALA 24 1.007 -15.869 4.226 173 HB1 ALA 24 HB1 ALA 24 -0.410 -13.936 4.208 174 HB2 ALA 24 HB2 ALA 24 -1.087 -15.035 3.006 175 HB3 ALA 24 HB3 ALA 24 -0.116 -13.655 2.492 176 H ALA 25 H ALA 25 1.883 -14.685 0.997 177 HA ALA 25 HA ALA 25 0.786 -16.802 -0.561 178 HB1 ALA 25 HB1 ALA 25 2.683 -14.595 -0.795 179 HB2 ALA 25 HB2 ALA 25 1.574 -15.242 -2.004 180 HB3 ALA 25 HB3 ALA 25 3.163 -15.975 -1.784 181 H VAL 26 H VAL 26 3.350 -16.837 1.713 182 HA VAL 26 HA VAL 26 4.709 -19.165 0.472 183 HB VAL 26 HB VAL 26 5.188 -17.577 3.016 184 HG11 VAL 26 HG11 VAL 26 7.573 -18.730 2.291 185 HG12 VAL 26 HG12 VAL 26 6.422 -19.996 1.863 186 HG13 VAL 26 HG13 VAL 26 6.481 -19.379 3.515 187 HG21 VAL 26 HG21 VAL 26 5.412 -16.489 0.647 188 HG22 VAL 26 HG22 VAL 26 6.854 -17.494 0.506 189 HG23 VAL 26 HG23 VAL 26 6.737 -16.298 1.797 190 H THR 27 H THR 27 2.401 -18.418 2.976 191 HA THR 27 HA THR 27 2.703 -20.863 4.508 192 HB THR 27 HB THR 27 0.182 -19.226 4.282 193 HG1 THR 27 HG1 THR 27 2.623 -18.491 5.522 194 HG21 THR 27 HG21 THR 27 0.217 -21.123 5.834 195 HG22 THR 27 HG22 THR 27 0.163 -19.607 6.730 196 HG23 THR 27 HG23 THR 27 1.680 -20.496 6.591 197 H ALA 28 H ALA 28 0.560 -19.827 1.856 198 HA ALA 28 HA ALA 28 -0.975 -22.296 1.806 199 HB1 ALA 28 HB1 ALA 28 -2.232 -21.017 0.418 200 HB2 ALA 28 HB2 ALA 28 -0.868 -20.744 -0.665 201 HB3 ALA 28 HB3 ALA 28 -1.094 -19.711 0.748 202 H ALA 29 H ALA 29 1.640 -20.950 -0.239 203 HA ALA 29 HA ALA 29 1.904 -23.545 -1.651 204 HB1 ALA 29 HB1 ALA 29 3.781 -21.963 -2.731 205 HB2 ALA 29 HB2 ALA 29 2.793 -20.711 -1.977 206 HB3 ALA 29 HB3 ALA 29 2.078 -21.803 -3.165 207 H ASN 30 H ASN 30 2.837 -24.871 0.022 208 HA ASN 30 HA ASN 30 4.650 -25.800 1.221 209 HB2 ASN 30 HB2 ASN 30 6.279 -23.766 -0.323 210 HB3 ASN 30 HB3 ASN 30 6.805 -25.345 0.264 211 HD21 ASN 30 HD21 ASN 30 5.149 -23.690 -2.337 212 HD22 ASN 30 HD22 ASN 30 4.845 -25.065 -3.282 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 -7.001 12.188 -5.847 2 H3 PRO 1 HT2 PRO 1 -8.507 11.585 -5.513 3 HA PRO 1 HA PRO 1 -8.107 11.807 -3.405 4 HB2 PRO 1 HB2 PRO 1 -6.023 10.170 -2.740 5 HB3 PRO 1 HB3 PRO 1 -7.644 9.557 -3.129 6 HG2 PRO 1 HG2 PRO 1 -5.219 9.712 -4.846 7 HG3 PRO 1 HG3 PRO 1 -6.412 8.410 -4.691 8 HD2 PRO 1 HD2 PRO 1 -6.435 10.148 -6.747 9 HD3 PRO 1 HD3 PRO 1 -7.919 9.441 -6.078 10 H ALA 2 H ALA 2 -6.770 12.954 -1.877 11 HA ALA 2 HA ALA 2 -4.027 13.688 -2.407 12 HB1 ALA 2 HB1 ALA 2 -4.561 15.163 -4.070 13 HB2 ALA 2 HB2 ALA 2 -5.046 16.212 -2.738 14 HB3 ALA 2 HB3 ALA 2 -6.254 15.240 -3.580 15 H ILE 3 H ILE 3 -5.031 12.781 -0.070 16 HA ILE 3 HA ILE 3 -6.232 14.531 1.771 17 HB ILE 3 HB ILE 3 -4.032 12.466 2.097 18 HG12 ILE 3 HG12 ILE 3 -6.873 12.029 2.894 19 HG13 ILE 3 HG13 ILE 3 -6.519 12.049 1.166 20 HG21 ILE 3 HG21 ILE 3 -4.074 13.892 4.071 21 HG22 ILE 3 HG22 ILE 3 -4.845 12.354 4.466 22 HG23 ILE 3 HG23 ILE 3 -5.833 13.782 4.153 23 HD11 ILE 3 HD11 ILE 3 -4.528 10.457 1.886 24 HD12 ILE 3 HD12 ILE 3 -6.149 9.806 1.643 25 HD13 ILE 3 HD13 ILE 3 -5.570 10.142 3.274 26 H TYR 4 H TYR 4 -2.713 14.105 1.204 27 HA TYR 4 HA TYR 4 -2.282 16.784 2.467 28 HB2 TYR 4 HB2 TYR 4 -1.108 14.186 2.733 29 HB3 TYR 4 HB3 TYR 4 0.122 15.300 2.138 30 HD1 TYR 4 HD1 TYR 4 0.053 17.707 3.312 31 HD2 TYR 4 HD2 TYR 4 -1.408 14.057 5.036 32 HE1 TYR 4 HE1 TYR 4 0.271 18.692 5.580 33 HE2 TYR 4 HE2 TYR 4 -1.190 15.039 7.306 34 HH TYR 4 HH TYR 4 0.392 17.024 8.303 35 H ILE 5 H ILE 5 -2.975 15.998 -0.337 36 HA ILE 5 HA ILE 5 -2.274 16.460 -2.566 37 HB ILE 5 HB ILE 5 -1.354 18.749 -0.835 38 HG12 ILE 5 HG12 ILE 5 -3.835 18.272 -2.513 39 HG13 ILE 5 HG13 ILE 5 -3.754 18.317 -0.752 40 HG21 ILE 5 HG21 ILE 5 -1.701 19.991 -3.142 41 HG22 ILE 5 HG22 ILE 5 -1.356 18.398 -3.815 42 HG23 ILE 5 HG23 ILE 5 -0.166 19.201 -2.790 43 HD11 ILE 5 HD11 ILE 5 -4.476 20.482 -1.241 44 HD12 ILE 5 HD12 ILE 5 -3.512 20.577 -2.715 45 HD13 ILE 5 HD13 ILE 5 -2.729 20.705 -1.141 46 H GLY 6 H GLY 6 -0.375 14.947 -0.872 47 HA2 GLY 6 HA2 GLY 6 1.867 14.878 -2.644 48 HA3 GLY 6 HA3 GLY 6 2.313 15.779 -1.194 49 H ALA 7 H ALA 7 0.155 12.962 -1.489 50 HA ALA 7 HA ALA 7 2.150 11.240 -0.130 51 HB1 ALA 7 HB1 ALA 7 1.058 11.184 1.892 52 HB2 ALA 7 HB2 ALA 7 -0.532 11.357 1.149 53 HB3 ALA 7 HB3 ALA 7 0.495 12.774 1.378 54 H THR 8 H THR 8 0.593 11.311 -2.722 55 HA THR 8 HA THR 8 -1.361 9.134 -2.519 56 HB THR 8 HB THR 8 -0.150 10.101 -5.084 57 HG1 THR 8 HG1 THR 8 -1.811 11.613 -3.354 58 HG21 THR 8 HG21 THR 8 -2.139 9.441 -5.954 59 HG22 THR 8 HG22 THR 8 -3.058 10.157 -4.630 60 HG23 THR 8 HG23 THR 8 -2.330 8.564 -4.437 61 H VAL 9 H VAL 9 1.876 9.077 -2.244 62 HA VAL 9 HA VAL 9 2.363 6.747 -4.035 63 HB VAL 9 HB VAL 9 4.101 8.509 -2.279 64 HG11 VAL 9 HG11 VAL 9 4.598 5.858 -3.298 65 HG12 VAL 9 HG12 VAL 9 5.663 6.890 -2.343 66 HG13 VAL 9 HG13 VAL 9 5.665 7.010 -4.103 67 HG21 VAL 9 HG21 VAL 9 4.327 9.786 -4.125 68 HG22 VAL 9 HG22 VAL 9 3.056 8.824 -4.880 69 HG23 VAL 9 HG23 VAL 9 4.747 8.377 -5.101 70 H GLY 10 H GLY 10 3.319 7.508 -0.666 71 HA2 GLY 10 HA2 GLY 10 3.155 6.202 1.283 72 HA3 GLY 10 HA3 GLY 10 1.978 5.196 0.439 73 HA PRO 11 HA PRO 11 6.223 3.407 -0.823 74 HB2 PRO 11 HB2 PRO 11 8.458 4.535 0.281 75 HB3 PRO 11 HB3 PRO 11 7.747 5.095 -1.246 76 HG2 PRO 11 HG2 PRO 11 7.529 6.259 1.481 77 HG3 PRO 11 HG3 PRO 11 7.662 7.070 -0.085 78 HD2 PRO 11 HD2 PRO 11 5.315 6.789 1.295 79 HD3 PRO 11 HD3 PRO 11 5.413 6.970 -0.471 80 H SER 12 H SER 12 6.209 4.774 2.471 81 HA SER 12 HA SER 12 7.492 2.483 3.709 82 HB2 SER 12 HB2 SER 12 7.557 4.727 4.667 83 HB3 SER 12 HB3 SER 12 5.798 4.777 4.749 84 HG SER 12 HG SER 12 6.899 4.190 6.741 85 H VAL 13 H VAL 13 4.118 3.694 3.952 86 HA VAL 13 HA VAL 13 2.993 1.482 5.278 87 HB VAL 13 HB VAL 13 1.924 3.416 3.205 88 HG11 VAL 13 HG11 VAL 13 -0.336 2.745 4.129 89 HG12 VAL 13 HG12 VAL 13 0.462 1.376 4.901 90 HG13 VAL 13 HG13 VAL 13 0.448 1.511 3.143 91 HG21 VAL 13 HG21 VAL 13 0.892 3.621 5.905 92 HG22 VAL 13 HG22 VAL 13 1.748 4.833 4.952 93 HG23 VAL 13 HG23 VAL 13 2.655 3.668 5.918 94 H TRP 14 H TRP 14 3.502 1.969 1.780 95 HA TRP 14 HA TRP 14 2.149 -0.336 0.822 96 HB2 TRP 14 HB2 TRP 14 2.874 1.339 -0.702 97 HB3 TRP 14 HB3 TRP 14 4.529 1.288 -0.092 98 HD1 TRP 14 HD1 TRP 14 6.122 0.031 -1.598 99 HE1 TRP 14 HE1 TRP 14 5.940 -1.902 -3.296 100 HE3 TRP 14 HE3 TRP 14 1.143 -1.034 -1.191 101 HZ2 TRP 14 HZ2 TRP 14 3.945 -3.666 -4.342 102 HZ3 TRP 14 HZ3 TRP 14 0.130 -2.844 -2.548 103 HH2 TRP 14 HH2 TRP 14 1.523 -4.161 -4.121 104 H ALA 15 H ALA 15 5.443 0.050 2.106 105 HA ALA 15 HA ALA 15 6.331 -2.624 1.454 106 HB1 ALA 15 HB1 ALA 15 8.213 -1.500 2.002 107 HB2 ALA 15 HB2 ALA 15 7.730 -1.613 3.694 108 HB3 ALA 15 HB3 ALA 15 7.268 -0.206 2.737 109 H TYR 16 H TYR 16 4.673 -1.181 4.232 110 HA TYR 16 HA TYR 16 5.015 -3.434 6.015 111 HB2 TYR 16 HB2 TYR 16 4.083 -0.824 6.113 112 HB3 TYR 16 HB3 TYR 16 2.616 -1.775 6.347 113 HD1 TYR 16 HD2 TYR 16 6.209 -1.850 7.449 114 HD2 TYR 16 HD1 TYR 16 2.082 -2.349 8.534 115 HE1 TYR 16 HE2 TYR 16 6.881 -2.320 9.789 116 HE2 TYR 16 HE1 TYR 16 2.755 -2.820 10.874 117 HH TYR 16 HH TYR 16 5.973 -3.480 11.763 118 H LEU 17 H LEU 17 2.437 -2.447 3.751 119 HA LEU 17 HA LEU 17 0.679 -4.651 4.423 120 HB2 LEU 17 HB2 LEU 17 -0.644 -3.163 3.341 121 HB3 LEU 17 HB3 LEU 17 0.767 -2.280 2.768 122 HG LEU 17 HG LEU 17 0.982 -3.972 0.915 123 HD11 LEU 17 HD11 LEU 17 -0.928 -5.341 2.483 124 HD12 LEU 17 HD12 LEU 17 -0.298 -5.825 0.908 125 HD13 LEU 17 HD13 LEU 17 -1.768 -4.855 1.010 126 HD21 LEU 17 HD21 LEU 17 -1.778 -2.809 0.763 127 HD22 LEU 17 HD22 LEU 17 -0.496 -2.802 -0.448 128 HD23 LEU 17 HD23 LEU 17 -0.406 -1.712 0.936 129 H VAL 18 H VAL 18 3.290 -4.148 2.136 130 HA VAL 18 HA VAL 18 2.762 -6.555 0.571 131 HB VAL 18 HB VAL 18 5.120 -4.668 0.865 132 HG11 VAL 18 HG11 VAL 18 5.415 -7.170 -0.042 133 HG12 VAL 18 HG12 VAL 18 6.258 -5.811 -0.785 134 HG13 VAL 18 HG13 VAL 18 4.779 -6.439 -1.515 135 HG21 VAL 18 HG21 VAL 18 4.227 -3.492 -0.923 136 HG22 VAL 18 HG22 VAL 18 2.738 -4.061 -0.168 137 HG23 VAL 18 HG23 VAL 18 3.393 -4.907 -1.569 138 H ALA 19 H ALA 19 4.626 -5.734 3.438 139 HA ALA 19 HA ALA 19 6.264 -8.142 3.438 140 HB1 ALA 19 HB1 ALA 19 6.877 -7.315 5.669 141 HB2 ALA 19 HB2 ALA 19 5.503 -6.209 5.653 142 HB3 ALA 19 HB3 ALA 19 6.839 -5.973 4.526 143 H LEU 20 H LEU 20 3.323 -7.104 5.195 144 HA LEU 20 HA LEU 20 3.014 -9.513 6.732 145 HB2 LEU 20 HB2 LEU 20 1.422 -7.118 5.948 146 HB3 LEU 20 HB3 LEU 20 0.516 -8.506 6.552 147 HG LEU 20 HG LEU 20 2.882 -7.993 8.170 148 HD11 LEU 20 HD11 LEU 20 0.765 -5.835 8.222 149 HD12 LEU 20 HD12 LEU 20 2.270 -5.651 7.321 150 HD13 LEU 20 HD13 LEU 20 2.309 -5.862 9.072 151 HD21 LEU 20 HD21 LEU 20 1.476 -8.812 9.744 152 HD22 LEU 20 HD22 LEU 20 0.327 -9.075 8.432 153 HD23 LEU 20 HD23 LEU 20 0.253 -7.592 9.385 154 H VAL 21 H VAL 21 1.360 -8.419 3.743 155 HA VAL 21 HA VAL 21 -0.050 -10.903 3.324 156 HB VAL 21 HB VAL 21 0.749 -8.697 1.395 157 HG11 VAL 21 HG11 VAL 21 -0.092 -10.606 0.188 158 HG12 VAL 21 HG12 VAL 21 -1.400 -9.426 0.269 159 HG13 VAL 21 HG13 VAL 21 -1.407 -10.825 1.342 160 HG21 VAL 21 HG21 VAL 21 -0.419 -7.885 3.448 161 HG22 VAL 21 HG22 VAL 21 -1.744 -8.997 3.103 162 HG23 VAL 21 HG23 VAL 21 -1.393 -7.671 1.993 163 H GLY 22 H GLY 22 3.226 -10.020 2.874 164 HA2 GLY 22 HA2 GLY 22 3.779 -11.731 0.588 165 HA3 GLY 22 HA3 GLY 22 4.988 -11.002 1.649 166 H ALA 23 H ALA 23 4.088 -12.057 4.120 167 HA ALA 23 HA ALA 23 5.393 -14.573 4.219 168 HB1 ALA 23 HB1 ALA 23 3.844 -14.642 6.402 169 HB2 ALA 23 HB2 ALA 23 3.546 -12.967 5.938 170 HB3 ALA 23 HB3 ALA 23 5.191 -13.510 6.268 171 H ALA 24 H ALA 24 1.987 -13.763 3.679 172 HA ALA 24 HA ALA 24 1.152 -16.593 3.775 173 HB1 ALA 24 HB1 ALA 24 -0.058 -13.882 3.580 174 HB2 ALA 24 HB2 ALA 24 -0.552 -15.264 4.559 175 HB3 ALA 24 HB3 ALA 24 -0.980 -15.196 2.849 176 H ALA 25 H ALA 25 2.110 -14.212 1.401 177 HA ALA 25 HA ALA 25 0.920 -15.561 -0.897 178 HB1 ALA 25 HB1 ALA 25 1.716 -13.707 -2.009 179 HB2 ALA 25 HB2 ALA 25 3.261 -13.737 -1.157 180 HB3 ALA 25 HB3 ALA 25 1.829 -13.073 -0.367 181 H VAL 26 H VAL 26 3.445 -16.409 1.111 182 HA VAL 26 HA VAL 26 4.972 -17.733 -1.105 183 HB VAL 26 HB VAL 26 5.724 -16.887 1.709 184 HG11 VAL 26 HG11 VAL 26 6.848 -18.997 1.000 185 HG12 VAL 26 HG12 VAL 26 7.981 -17.655 1.161 186 HG13 VAL 26 HG13 VAL 26 7.443 -18.169 -0.438 187 HG21 VAL 26 HG21 VAL 26 5.933 -14.919 0.556 188 HG22 VAL 26 HG22 VAL 26 6.011 -15.730 -1.008 189 HG23 VAL 26 HG23 VAL 26 7.446 -15.644 0.013 190 H THR 27 H THR 27 2.759 -18.319 1.384 191 HA THR 27 HA THR 27 3.683 -21.161 1.661 192 HB THR 27 HB THR 27 3.643 -19.646 3.693 193 HG1 THR 27 HG1 THR 27 1.843 -21.837 3.654 194 HG21 THR 27 HG21 THR 27 0.654 -19.791 3.217 195 HG22 THR 27 HG22 THR 27 1.648 -18.345 3.045 196 HG23 THR 27 HG23 THR 27 1.437 -19.086 4.631 197 H ALA 28 H ALA 28 1.071 -19.035 0.733 198 HA ALA 28 HA ALA 28 -0.984 -21.128 0.721 199 HB1 ALA 28 HB1 ALA 28 -2.333 -19.309 -0.259 200 HB2 ALA 28 HB2 ALA 28 -0.873 -18.347 -0.495 201 HB3 ALA 28 HB3 ALA 28 -1.429 -18.720 1.136 202 H ALA 29 H ALA 29 1.678 -20.778 -1.132 203 HA ALA 29 HA ALA 29 0.565 -20.980 -3.820 204 HB1 ALA 29 HB1 ALA 29 2.922 -21.387 -4.393 205 HB2 ALA 29 HB2 ALA 29 3.299 -21.666 -2.693 206 HB3 ALA 29 HB3 ALA 29 2.805 -20.063 -3.235 207 H ASN 30 H ASN 30 -0.597 -22.805 -4.353 208 HA ASN 30 HA ASN 30 0.662 -25.455 -3.843 209 HB2 ASN 30 HB2 ASN 30 -1.545 -26.265 -2.972 210 HB3 ASN 30 HB3 ASN 30 -0.822 -25.024 -1.948 211 HD21 ASN 30 HD21 ASN 30 -3.739 -25.893 -3.295 212 HD22 ASN 30 HD22 ASN 30 -4.469 -24.364 -3.390 Start of MODEL 11 1 H2 PRO 1 HT1 PRO 1 -11.828 14.466 1.182 2 H3 PRO 1 HT2 PRO 1 -12.821 15.248 2.252 3 HA PRO 1 HA PRO 1 -11.433 14.815 3.844 4 HB2 PRO 1 HB2 PRO 1 -11.245 12.103 4.132 5 HB3 PRO 1 HB3 PRO 1 -12.674 13.030 4.637 6 HG2 PRO 1 HG2 PRO 1 -12.222 11.463 2.145 7 HG3 PRO 1 HG3 PRO 1 -13.658 11.546 3.183 8 HD2 PRO 1 HD2 PRO 1 -13.494 12.905 0.875 9 HD3 PRO 1 HD3 PRO 1 -14.359 13.544 2.288 10 H ALA 2 H ALA 2 -9.297 13.554 4.400 11 HA ALA 2 HA ALA 2 -7.046 13.164 3.791 12 HB1 ALA 2 HB1 ALA 2 -7.224 11.156 2.776 13 HB2 ALA 2 HB2 ALA 2 -7.454 11.984 1.236 14 HB3 ALA 2 HB3 ALA 2 -8.850 11.558 2.227 15 H ILE 3 H ILE 3 -8.349 15.709 2.913 16 HA ILE 3 HA ILE 3 -7.062 16.246 0.288 17 HB ILE 3 HB ILE 3 -8.843 17.879 2.128 18 HG12 ILE 3 HG12 ILE 3 -9.410 16.353 -0.435 19 HG13 ILE 3 HG13 ILE 3 -9.962 15.908 1.180 20 HG21 ILE 3 HG21 ILE 3 -8.290 19.638 0.836 21 HG22 ILE 3 HG22 ILE 3 -8.957 18.781 -0.553 22 HG23 ILE 3 HG23 ILE 3 -7.245 18.621 -0.158 23 HD11 ILE 3 HD11 ILE 3 -10.606 18.638 0.111 24 HD12 ILE 3 HD12 ILE 3 -11.486 17.669 1.292 25 HD13 ILE 3 HD13 ILE 3 -11.562 17.255 -0.420 26 H TYR 4 H TYR 4 -7.034 17.507 3.640 27 HA TYR 4 HA TYR 4 -4.433 18.853 3.029 28 HB2 TYR 4 HB2 TYR 4 -6.866 19.510 4.482 29 HB3 TYR 4 HB3 TYR 4 -5.432 19.735 5.482 30 HD1 TYR 4 HD1 TYR 4 -3.372 20.531 3.607 31 HD2 TYR 4 HD2 TYR 4 -7.525 21.614 3.703 32 HE1 TYR 4 HE1 TYR 4 -2.851 22.632 2.394 33 HE2 TYR 4 HE2 TYR 4 -7.007 23.717 2.489 34 HH TYR 4 HH TYR 4 -4.346 25.139 2.338 35 H ILE 5 H ILE 5 -5.054 16.032 3.827 36 HA ILE 5 HA ILE 5 -3.662 15.839 6.454 37 HB ILE 5 HB ILE 5 -5.088 13.808 4.722 38 HG12 ILE 5 HG12 ILE 5 -5.959 15.433 7.127 39 HG13 ILE 5 HG13 ILE 5 -6.682 15.428 5.518 40 HG21 ILE 5 HG21 ILE 5 -3.362 13.535 7.004 41 HG22 ILE 5 HG22 ILE 5 -4.191 12.271 6.096 42 HG23 ILE 5 HG23 ILE 5 -4.997 13.050 7.457 43 HD11 ILE 5 HD11 ILE 5 -7.008 12.861 5.978 44 HD12 ILE 5 HD12 ILE 5 -8.134 14.020 6.683 45 HD13 ILE 5 HD13 ILE 5 -6.840 13.336 7.668 46 H GLY 6 H GLY 6 -2.402 16.469 3.831 47 HA2 GLY 6 HA2 GLY 6 -0.050 15.973 3.340 48 HA3 GLY 6 HA3 GLY 6 -0.336 14.320 3.885 49 H ALA 7 H ALA 7 -2.678 13.710 2.498 50 HA ALA 7 HA ALA 7 -3.407 12.956 0.380 51 HB1 ALA 7 HB1 ALA 7 -3.051 15.610 0.250 52 HB2 ALA 7 HB2 ALA 7 -3.490 14.668 -1.175 53 HB3 ALA 7 HB3 ALA 7 -1.809 15.129 -0.905 54 H THR 8 H THR 8 -0.719 12.118 1.510 55 HA THR 8 HA THR 8 1.005 11.778 -0.850 56 HB THR 8 HB THR 8 1.978 12.151 1.342 57 HG1 THR 8 HG1 THR 8 3.452 10.729 0.947 58 HG21 THR 8 HG21 THR 8 1.604 10.202 3.049 59 HG22 THR 8 HG22 THR 8 0.141 9.902 2.109 60 HG23 THR 8 HG23 THR 8 0.379 11.462 2.899 61 H VAL 9 H VAL 9 1.895 9.319 -0.950 62 HA VAL 9 HA VAL 9 -0.483 7.665 -1.607 63 HB VAL 9 HB VAL 9 2.464 7.670 -2.253 64 HG11 VAL 9 HG11 VAL 9 1.381 5.568 -3.705 65 HG12 VAL 9 HG12 VAL 9 0.682 5.348 -2.101 66 HG13 VAL 9 HG13 VAL 9 2.433 5.405 -2.300 67 HG21 VAL 9 HG21 VAL 9 1.424 7.545 -4.593 68 HG22 VAL 9 HG22 VAL 9 1.145 9.039 -3.699 69 HG23 VAL 9 HG23 VAL 9 -0.129 7.824 -3.806 70 H GLY 10 H GLY 10 2.419 7.605 0.448 71 HA2 GLY 10 HA2 GLY 10 2.207 6.535 2.678 72 HA3 GLY 10 HA3 GLY 10 1.203 5.302 1.915 73 HA PRO 11 HA PRO 11 5.789 4.596 0.610 74 HB2 PRO 11 HB2 PRO 11 7.629 5.603 2.368 75 HB3 PRO 11 HB3 PRO 11 7.045 6.509 0.957 76 HG2 PRO 11 HG2 PRO 11 6.261 6.749 3.816 77 HG3 PRO 11 HG3 PRO 11 6.466 8.010 2.591 78 HD2 PRO 11 HD2 PRO 11 4.036 7.042 3.383 79 HD3 PRO 11 HD3 PRO 11 4.344 7.752 1.784 80 H SER 12 H SER 12 5.355 4.951 4.151 81 HA SER 12 HA SER 12 6.681 2.436 4.764 82 HB2 SER 12 HB2 SER 12 5.433 4.709 6.102 83 HB3 SER 12 HB3 SER 12 5.040 3.190 6.904 84 HG SER 12 HG SER 12 7.051 4.240 7.565 85 H VAL 13 H VAL 13 3.260 3.457 5.142 86 HA VAL 13 HA VAL 13 2.093 0.998 5.745 87 HB VAL 13 HB VAL 13 1.059 3.166 3.884 88 HG11 VAL 13 HG11 VAL 13 -0.489 1.327 5.727 89 HG12 VAL 13 HG12 VAL 13 -0.238 0.984 4.015 90 HG13 VAL 13 HG13 VAL 13 -1.138 2.419 4.505 91 HG21 VAL 13 HG21 VAL 13 1.479 2.992 6.831 92 HG22 VAL 13 HG22 VAL 13 -0.030 3.725 6.286 93 HG23 VAL 13 HG23 VAL 13 1.515 4.402 5.772 94 H TRP 14 H TRP 14 3.293 2.127 2.624 95 HA TRP 14 HA TRP 14 2.036 0.045 1.036 96 HB2 TRP 14 HB2 TRP 14 2.702 2.096 -0.004 97 HB3 TRP 14 HB3 TRP 14 4.332 1.982 0.660 98 HD1 TRP 14 HD1 TRP 14 5.989 1.343 -1.141 99 HE1 TRP 14 HE1 TRP 14 5.996 -0.230 -3.184 100 HE3 TRP 14 HE3 TRP 14 1.201 -0.419 -0.915 101 HZ2 TRP 14 HZ2 TRP 14 4.207 -2.002 -4.543 102 HZ3 TRP 14 HZ3 TRP 14 0.380 -2.046 -2.595 103 HH2 TRP 14 HH2 TRP 14 1.876 -2.839 -4.407 104 H ALA 15 H ALA 15 5.478 0.559 1.930 105 HA ALA 15 HA ALA 15 6.425 -1.984 1.104 106 HB1 ALA 15 HB1 ALA 15 7.476 0.307 2.107 107 HB2 ALA 15 HB2 ALA 15 8.381 -1.205 2.028 108 HB3 ALA 15 HB3 ALA 15 7.594 -0.726 3.532 109 H TYR 16 H TYR 16 4.433 -1.128 3.784 110 HA TYR 16 HA TYR 16 5.162 -3.416 5.470 111 HB2 TYR 16 HB2 TYR 16 4.104 -0.984 5.925 112 HB3 TYR 16 HB3 TYR 16 2.607 -1.906 5.782 113 HD1 TYR 16 HD2 TYR 16 2.186 -3.855 7.286 114 HD2 TYR 16 HD1 TYR 16 5.569 -1.261 7.809 115 HE1 TYR 16 HE2 TYR 16 2.504 -4.733 9.584 116 HE2 TYR 16 HE1 TYR 16 5.888 -2.139 10.105 117 HH TYR 16 HH TYR 16 5.106 -3.487 11.681 118 H LEU 17 H LEU 17 2.447 -2.525 3.324 119 HA LEU 17 HA LEU 17 1.007 -5.009 3.784 120 HB2 LEU 17 HB2 LEU 17 -0.543 -3.560 2.985 121 HB3 LEU 17 HB3 LEU 17 0.713 -2.455 2.438 122 HG LEU 17 HG LEU 17 0.982 -3.878 0.386 123 HD11 LEU 17 HD11 LEU 17 -1.628 -5.129 0.581 124 HD12 LEU 17 HD12 LEU 17 -0.576 -5.677 1.888 125 HD13 LEU 17 HD13 LEU 17 -0.069 -5.865 0.209 126 HD21 LEU 17 HD21 LEU 17 -0.964 -2.980 -0.725 127 HD22 LEU 17 HD22 LEU 17 -0.499 -1.824 0.523 128 HD23 LEU 17 HD23 LEU 17 -1.862 -2.911 0.790 129 H VAL 18 H VAL 18 3.559 -3.969 1.664 130 HA VAL 18 HA VAL 18 3.195 -6.085 -0.324 131 HB VAL 18 HB VAL 18 5.415 -4.132 0.354 132 HG11 VAL 18 HG11 VAL 18 6.513 -5.910 -0.776 133 HG12 VAL 18 HG12 VAL 18 6.153 -4.733 -2.040 134 HG13 VAL 18 HG13 VAL 18 5.146 -6.169 -1.860 135 HG21 VAL 18 HG21 VAL 18 3.905 -2.735 -0.616 136 HG22 VAL 18 HG22 VAL 18 2.956 -4.072 -1.267 137 HG23 VAL 18 HG23 VAL 18 4.390 -3.510 -2.125 138 H ALA 19 H ALA 19 5.738 -5.426 2.127 139 HA ALA 19 HA ALA 19 7.079 -7.921 1.904 140 HB1 ALA 19 HB1 ALA 19 7.386 -5.578 3.264 141 HB2 ALA 19 HB2 ALA 19 8.315 -7.033 3.620 142 HB3 ALA 19 HB3 ALA 19 6.884 -6.646 4.576 143 H LEU 20 H LEU 20 4.227 -6.971 3.781 144 HA LEU 20 HA LEU 20 4.068 -9.340 5.413 145 HB2 LEU 20 HB2 LEU 20 2.423 -6.996 4.655 146 HB3 LEU 20 HB3 LEU 20 1.510 -8.408 5.188 147 HG LEU 20 HG LEU 20 3.751 -7.046 6.708 148 HD11 LEU 20 HD11 LEU 20 1.827 -5.725 7.003 149 HD12 LEU 20 HD12 LEU 20 1.767 -6.827 8.379 150 HD13 LEU 20 HD13 LEU 20 0.750 -7.122 6.967 151 HD21 LEU 20 HD21 LEU 20 4.024 -9.127 7.586 152 HD22 LEU 20 HD22 LEU 20 2.500 -9.707 6.914 153 HD23 LEU 20 HD23 LEU 20 2.509 -8.800 8.426 154 H VAL 21 H VAL 21 2.432 -8.415 2.359 155 HA VAL 21 HA VAL 21 0.957 -10.848 2.036 156 HB VAL 21 HB VAL 21 1.976 -8.671 0.202 157 HG11 VAL 21 HG11 VAL 21 0.225 -9.722 -1.411 158 HG12 VAL 21 HG12 VAL 21 0.456 -11.188 -0.460 159 HG13 VAL 21 HG13 VAL 21 1.820 -10.468 -1.314 160 HG21 VAL 21 HG21 VAL 21 -0.207 -7.820 0.350 161 HG22 VAL 21 HG22 VAL 21 0.069 -8.436 1.979 162 HG23 VAL 21 HG23 VAL 21 -0.884 -9.376 0.832 163 H GLY 22 H GLY 22 4.315 -10.148 1.661 164 HA2 GLY 22 HA2 GLY 22 4.912 -12.158 -0.340 165 HA3 GLY 22 HA3 GLY 22 6.089 -11.380 0.720 166 H ALA 23 H ALA 23 5.370 -12.080 3.215 167 HA ALA 23 HA ALA 23 6.123 -14.872 3.380 168 HB1 ALA 23 HB1 ALA 23 6.414 -14.344 5.609 169 HB2 ALA 23 HB2 ALA 23 4.915 -13.418 5.689 170 HB3 ALA 23 HB3 ALA 23 6.354 -12.704 4.961 171 H ALA 24 H ALA 24 3.084 -13.203 3.193 172 HA ALA 24 HA ALA 24 1.509 -15.361 4.415 173 HB1 ALA 24 HB1 ALA 24 -0.346 -13.844 3.396 174 HB2 ALA 24 HB2 ALA 24 0.979 -12.747 3.003 175 HB3 ALA 24 HB3 ALA 24 0.656 -13.173 4.684 176 H ALA 25 H ALA 25 2.959 -14.838 1.388 177 HA ALA 25 HA ALA 25 0.901 -16.147 -0.248 178 HB1 ALA 25 HB1 ALA 25 3.817 -15.583 -0.858 179 HB2 ALA 25 HB2 ALA 25 2.558 -14.353 -0.962 180 HB3 ALA 25 HB3 ALA 25 2.498 -15.767 -2.016 181 H VAL 26 H VAL 26 2.897 -17.331 2.080 182 HA VAL 26 HA VAL 26 3.655 -19.806 0.596 183 HB VAL 26 HB VAL 26 4.437 -18.483 3.196 184 HG11 VAL 26 HG11 VAL 26 4.207 -20.851 3.725 185 HG12 VAL 26 HG12 VAL 26 5.922 -20.460 3.587 186 HG13 VAL 26 HG13 VAL 26 5.099 -21.294 2.270 187 HG21 VAL 26 HG21 VAL 26 5.457 -18.544 0.546 188 HG22 VAL 26 HG22 VAL 26 6.577 -19.470 1.543 189 HG23 VAL 26 HG23 VAL 26 6.196 -17.801 1.965 190 H THR 27 H THR 27 1.333 -18.581 2.832 191 HA THR 27 HA THR 27 0.689 -21.233 3.973 192 HB THR 27 HB THR 27 0.682 -19.059 5.252 193 HG1 THR 27 HG1 THR 27 -0.878 -19.835 6.446 194 HG21 THR 27 HG21 THR 27 -1.941 -18.229 4.344 195 HG22 THR 27 HG22 THR 27 -0.782 -18.193 3.016 196 HG23 THR 27 HG23 THR 27 -0.463 -17.277 4.490 197 H ALA 28 H ALA 28 -0.252 -19.250 1.308 198 HA ALA 28 HA ALA 28 -2.989 -20.104 1.011 199 HB1 ALA 28 HB1 ALA 28 -0.960 -18.545 -0.361 200 HB2 ALA 28 HB2 ALA 28 -2.716 -18.395 -0.446 201 HB3 ALA 28 HB3 ALA 28 -1.875 -19.521 -1.512 202 H ALA 29 H ALA 29 0.108 -21.511 0.096 203 HA ALA 29 HA ALA 29 -1.154 -23.556 -1.625 204 HB1 ALA 29 HB1 ALA 29 1.092 -24.087 -2.180 205 HB2 ALA 29 HB2 ALA 29 1.708 -23.426 -0.665 206 HB3 ALA 29 HB3 ALA 29 1.113 -22.342 -1.923 207 H ASN 30 H ASN 30 -0.057 -23.188 1.672 208 HA ASN 30 HA ASN 30 -0.103 -24.690 3.496 209 HB2 ASN 30 HB2 ASN 30 -2.161 -25.588 1.526 210 HB3 ASN 30 HB3 ASN 30 -1.781 -26.687 2.854 211 HD21 ASN 30 HD21 ASN 30 -3.633 -26.368 4.175 212 HD22 ASN 30 HD22 ASN 30 -4.064 -24.865 4.836 Start of MODEL 12 1 H2 PRO 1 HT1 PRO 1 -2.968 16.050 -10.590 2 H3 PRO 1 HT2 PRO 1 -4.428 16.518 -9.964 3 HA PRO 1 HA PRO 1 -4.620 14.601 -8.993 4 HB2 PRO 1 HB2 PRO 1 -4.678 12.649 -10.907 5 HB3 PRO 1 HB3 PRO 1 -6.039 13.752 -10.613 6 HG2 PRO 1 HG2 PRO 1 -3.916 13.883 -12.698 7 HG3 PRO 1 HG3 PRO 1 -5.659 14.172 -12.843 8 HD2 PRO 1 HD2 PRO 1 -3.902 16.191 -12.691 9 HD3 PRO 1 HD3 PRO 1 -5.522 16.295 -11.971 10 H ALA 2 H ALA 2 -3.406 12.705 -8.279 11 HA ALA 2 HA ALA 2 -1.006 11.760 -9.523 12 HB1 ALA 2 HB1 ALA 2 0.273 13.598 -9.133 13 HB2 ALA 2 HB2 ALA 2 0.271 13.082 -7.447 14 HB3 ALA 2 HB3 ALA 2 -0.904 14.272 -8.008 15 H ILE 3 H ILE 3 -3.237 10.673 -8.030 16 HA ILE 3 HA ILE 3 -2.152 9.903 -5.384 17 HB ILE 3 HB ILE 3 -4.692 9.124 -6.854 18 HG12 ILE 3 HG12 ILE 3 -4.342 11.607 -6.458 19 HG13 ILE 3 HG13 ILE 3 -5.767 10.929 -5.671 20 HG21 ILE 3 HG21 ILE 3 -5.206 9.065 -4.157 21 HG22 ILE 3 HG22 ILE 3 -3.536 8.498 -4.213 22 HG23 ILE 3 HG23 ILE 3 -4.785 7.650 -5.124 23 HD11 ILE 3 HD11 ILE 3 -4.113 12.467 -4.305 24 HD12 ILE 3 HD12 ILE 3 -3.170 10.982 -4.175 25 HD13 ILE 3 HD13 ILE 3 -4.818 11.038 -3.551 26 H TYR 4 H TYR 4 -2.543 8.579 -8.614 27 HA TYR 4 HA TYR 4 -1.390 5.988 -7.643 28 HB2 TYR 4 HB2 TYR 4 -3.722 6.681 -9.176 29 HB3 TYR 4 HB3 TYR 4 -2.650 5.684 -10.156 30 HD1 TYR 4 HD1 TYR 4 -1.489 3.700 -8.703 31 HD2 TYR 4 HD2 TYR 4 -5.284 5.537 -7.891 32 HE1 TYR 4 HE1 TYR 4 -2.191 1.686 -7.432 33 HE2 TYR 4 HE2 TYR 4 -5.989 3.525 -6.619 34 HH TYR 4 HH TYR 4 -5.460 1.212 -6.402 35 H ILE 5 H ILE 5 -0.198 8.535 -8.671 36 HA ILE 5 HA ILE 5 1.092 7.662 -11.200 37 HB ILE 5 HB ILE 5 1.199 10.210 -9.572 38 HG12 ILE 5 HG12 ILE 5 -0.363 9.376 -12.030 39 HG13 ILE 5 HG13 ILE 5 -1.005 9.927 -10.482 40 HG21 ILE 5 HG21 ILE 5 2.868 9.255 -11.693 41 HG22 ILE 5 HG22 ILE 5 2.916 10.825 -10.891 42 HG23 ILE 5 HG23 ILE 5 1.899 10.591 -12.312 43 HD11 ILE 5 HD11 ILE 5 0.469 11.555 -12.559 44 HD12 ILE 5 HD12 ILE 5 0.220 12.126 -10.910 45 HD13 ILE 5 HD13 ILE 5 -1.167 11.802 -11.951 46 H GLY 6 H GLY 6 1.617 6.499 -8.508 47 HA2 GLY 6 HA2 GLY 6 3.984 5.487 -8.317 48 HA3 GLY 6 HA3 GLY 6 4.514 7.169 -8.226 49 H ALA 7 H ALA 7 1.841 7.624 -6.689 50 HA ALA 7 HA ALA 7 1.377 7.944 -4.387 51 HB1 ALA 7 HB1 ALA 7 1.188 5.810 -3.254 52 HB2 ALA 7 HB2 ALA 7 2.362 5.080 -4.350 53 HB3 ALA 7 HB3 ALA 7 0.775 5.564 -4.950 54 H THR 8 H THR 8 3.166 9.419 -3.995 55 HA THR 8 HA THR 8 5.607 8.192 -2.782 56 HB THR 8 HB THR 8 5.078 11.056 -3.623 57 HG1 THR 8 HG1 THR 8 6.409 10.240 -5.478 58 HG21 THR 8 HG21 THR 8 7.737 9.664 -3.583 59 HG22 THR 8 HG22 THR 8 7.057 10.283 -2.078 60 HG23 THR 8 HG23 THR 8 7.377 11.383 -3.419 61 H VAL 9 H VAL 9 2.694 9.087 -1.718 62 HA VAL 9 HA VAL 9 3.636 10.690 0.617 63 HB VAL 9 HB VAL 9 0.818 9.920 -0.182 64 HG11 VAL 9 HG11 VAL 9 1.935 12.289 1.350 65 HG12 VAL 9 HG12 VAL 9 1.186 10.874 2.089 66 HG13 VAL 9 HG13 VAL 9 0.229 11.945 1.064 67 HG21 VAL 9 HG21 VAL 9 1.557 10.991 -2.134 68 HG22 VAL 9 HG22 VAL 9 2.660 12.048 -1.251 69 HG23 VAL 9 HG23 VAL 9 0.921 12.337 -1.189 70 H GLY 10 H GLY 10 3.482 7.513 -0.126 71 HA2 GLY 10 HA2 GLY 10 3.302 6.707 2.672 72 HA3 GLY 10 HA3 GLY 10 1.948 6.126 1.699 73 HA PRO 11 HA PRO 11 5.657 4.075 -0.430 74 HB2 PRO 11 HB2 PRO 11 8.186 4.827 0.297 75 HB3 PRO 11 HB3 PRO 11 7.261 5.653 -0.973 76 HG2 PRO 11 HG2 PRO 11 7.726 6.453 1.852 77 HG3 PRO 11 HG3 PRO 11 7.644 7.452 0.393 78 HD2 PRO 11 HD2 PRO 11 5.598 7.216 2.193 79 HD3 PRO 11 HD3 PRO 11 5.367 7.615 0.477 80 H SER 12 H SER 12 6.705 4.991 2.876 81 HA SER 12 HA SER 12 7.864 2.473 3.575 82 HB2 SER 12 HB2 SER 12 6.704 4.838 5.027 83 HB3 SER 12 HB3 SER 12 7.223 3.425 5.941 84 HG SER 12 HG SER 12 8.850 5.102 5.567 85 H VAL 13 H VAL 13 4.760 3.758 4.825 86 HA VAL 13 HA VAL 13 3.677 1.459 5.918 87 HB VAL 13 HB VAL 13 2.200 3.457 4.175 88 HG11 VAL 13 HG11 VAL 13 1.420 1.354 6.068 89 HG12 VAL 13 HG12 VAL 13 0.447 2.199 4.863 90 HG13 VAL 13 HG13 VAL 13 0.715 2.925 6.448 91 HG21 VAL 13 HG21 VAL 13 3.838 3.894 6.481 92 HG22 VAL 13 HG22 VAL 13 2.155 4.134 6.951 93 HG23 VAL 13 HG23 VAL 13 2.840 5.064 5.618 94 H TRP 14 H TRP 14 3.715 2.354 2.470 95 HA TRP 14 HA TRP 14 2.074 0.298 1.430 96 HB2 TRP 14 HB2 TRP 14 2.774 2.048 -0.000 97 HB3 TRP 14 HB3 TRP 14 4.467 1.851 0.444 98 HD1 TRP 14 HD1 TRP 14 5.893 0.478 -1.150 99 HE1 TRP 14 HE1 TRP 14 5.434 -1.165 -3.083 100 HE3 TRP 14 HE3 TRP 14 0.807 0.124 -0.823 101 HZ2 TRP 14 HZ2 TRP 14 3.207 -2.457 -4.326 102 HZ3 TRP 14 HZ3 TRP 14 -0.455 -1.319 -2.393 103 HH2 TRP 14 HH2 TRP 14 0.736 -2.609 -4.142 104 H ALA 15 H ALA 15 5.641 0.276 1.841 105 HA ALA 15 HA ALA 15 6.116 -2.387 1.005 106 HB1 ALA 15 HB1 ALA 15 8.103 -2.069 2.668 107 HB2 ALA 15 HB2 ALA 15 7.423 -0.462 2.925 108 HB3 ALA 15 HB3 ALA 15 7.962 -0.945 1.316 109 H TYR 16 H TYR 16 4.779 -1.150 4.000 110 HA TYR 16 HA TYR 16 5.199 -3.557 5.575 111 HB2 TYR 16 HB2 TYR 16 4.700 -1.036 6.185 112 HB3 TYR 16 HB3 TYR 16 3.017 -1.549 6.054 113 HD1 TYR 16 HD2 TYR 16 6.263 -2.550 7.637 114 HD2 TYR 16 HD1 TYR 16 1.975 -2.585 7.879 115 HE1 TYR 16 HE2 TYR 16 6.400 -3.571 9.891 116 HE2 TYR 16 HE1 TYR 16 2.111 -3.606 10.135 117 HH TYR 16 HH TYR 16 5.186 -3.980 11.799 118 H LEU 17 H LEU 17 2.600 -2.324 3.502 119 HA LEU 17 HA LEU 17 0.670 -4.352 4.253 120 HB2 LEU 17 HB2 LEU 17 -0.559 -2.752 3.224 121 HB3 LEU 17 HB3 LEU 17 0.903 -1.992 2.606 122 HG LEU 17 HG LEU 17 0.891 -3.730 0.751 123 HD11 LEU 17 HD11 LEU 17 -2.014 -4.143 1.256 124 HD12 LEU 17 HD12 LEU 17 -0.896 -5.054 2.271 125 HD13 LEU 17 HD13 LEU 17 -0.836 -5.227 0.517 126 HD21 LEU 17 HD21 LEU 17 -1.689 -2.223 0.609 127 HD22 LEU 17 HD22 LEU 17 -0.393 -2.341 -0.582 128 HD23 LEU 17 HD23 LEU 17 -0.204 -1.294 0.825 129 H VAL 18 H VAL 18 3.133 -4.048 1.752 130 HA VAL 18 HA VAL 18 2.323 -6.437 0.289 131 HB VAL 18 HB VAL 18 4.743 -4.622 0.351 132 HG11 VAL 18 HG11 VAL 18 4.760 -6.177 -2.011 133 HG12 VAL 18 HG12 VAL 18 4.558 -7.313 -0.677 134 HG13 VAL 18 HG13 VAL 18 5.938 -6.215 -0.699 135 HG21 VAL 18 HG21 VAL 18 2.703 -3.694 -0.639 136 HG22 VAL 18 HG22 VAL 18 2.527 -5.121 -1.662 137 HG23 VAL 18 HG23 VAL 18 3.882 -4.020 -1.910 138 H ALA 19 H ALA 19 4.679 -5.680 2.834 139 HA ALA 19 HA ALA 19 6.084 -8.187 2.795 140 HB1 ALA 19 HB1 ALA 19 7.114 -7.310 4.704 141 HB2 ALA 19 HB2 ALA 19 5.626 -6.558 5.281 142 HB3 ALA 19 HB3 ALA 19 6.512 -5.842 3.935 143 H LEU 20 H LEU 20 3.354 -7.018 4.797 144 HA LEU 20 HA LEU 20 2.999 -9.403 6.329 145 HB2 LEU 20 HB2 LEU 20 1.368 -7.016 5.532 146 HB3 LEU 20 HB3 LEU 20 0.569 -8.349 6.367 147 HG LEU 20 HG LEU 20 3.098 -7.036 7.386 148 HD11 LEU 20 HD11 LEU 20 0.620 -5.819 7.238 149 HD12 LEU 20 HD12 LEU 20 1.886 -5.412 8.397 150 HD13 LEU 20 HD13 LEU 20 0.604 -6.537 8.848 151 HD21 LEU 20 HD21 LEU 20 1.056 -8.572 8.978 152 HD22 LEU 20 HD22 LEU 20 2.763 -8.311 9.330 153 HD23 LEU 20 HD23 LEU 20 2.288 -9.435 8.058 154 H VAL 21 H VAL 21 1.172 -8.268 3.454 155 HA VAL 21 HA VAL 21 -0.325 -10.688 3.101 156 HB VAL 21 HB VAL 21 0.536 -8.540 1.134 157 HG11 VAL 21 HG11 VAL 21 -1.074 -9.334 -0.337 158 HG12 VAL 21 HG12 VAL 21 -2.020 -10.091 0.944 159 HG13 VAL 21 HG13 VAL 21 -0.531 -10.850 0.382 160 HG21 VAL 21 HG21 VAL 21 -0.595 -7.529 3.011 161 HG22 VAL 21 HG22 VAL 21 -1.829 -8.789 3.016 162 HG23 VAL 21 HG23 VAL 21 -1.761 -7.625 1.692 163 H GLY 22 H GLY 22 2.974 -9.937 2.464 164 HA2 GLY 22 HA2 GLY 22 3.363 -11.777 0.250 165 HA3 GLY 22 HA3 GLY 22 4.642 -11.046 1.223 166 H ALA 23 H ALA 23 3.654 -11.972 3.775 167 HA ALA 23 HA ALA 23 4.967 -14.464 4.025 168 HB1 ALA 23 HB1 ALA 23 2.667 -13.442 5.716 169 HB2 ALA 23 HB2 ALA 23 4.291 -12.755 5.790 170 HB3 ALA 23 HB3 ALA 23 4.025 -14.438 6.243 171 H ALA 24 H ALA 24 1.628 -13.722 3.167 172 HA ALA 24 HA ALA 24 0.553 -16.374 3.569 173 HB1 ALA 24 HB1 ALA 24 -0.813 -14.347 3.446 174 HB2 ALA 24 HB2 ALA 24 -1.280 -15.440 2.143 175 HB3 ALA 24 HB3 ALA 24 -0.259 -14.043 1.799 176 H ALA 25 H ALA 25 2.143 -14.751 0.845 177 HA ALA 25 HA ALA 25 1.562 -16.830 -1.096 178 HB1 ALA 25 HB1 ALA 25 2.793 -14.245 -0.932 179 HB2 ALA 25 HB2 ALA 25 2.280 -15.115 -2.377 180 HB3 ALA 25 HB3 ALA 25 3.910 -15.342 -1.742 181 H VAL 26 H VAL 26 3.852 -16.486 1.462 182 HA VAL 26 HA VAL 26 5.850 -18.318 0.321 183 HB VAL 26 HB VAL 26 5.455 -17.238 3.133 184 HG11 VAL 26 HG11 VAL 26 7.986 -17.576 3.157 185 HG12 VAL 26 HG12 VAL 26 7.782 -18.516 1.680 186 HG13 VAL 26 HG13 VAL 26 7.017 -19.050 3.177 187 HG21 VAL 26 HG21 VAL 26 5.693 -15.288 1.884 188 HG22 VAL 26 HG22 VAL 26 6.649 -16.084 0.634 189 HG23 VAL 26 HG23 VAL 26 7.385 -15.688 2.187 190 H THR 27 H THR 27 2.824 -18.689 1.775 191 HA THR 27 HA THR 27 3.501 -21.281 3.075 192 HB THR 27 HB THR 27 1.123 -19.415 3.017 193 HG1 THR 27 HG1 THR 27 1.594 -19.333 5.222 194 HG21 THR 27 HG21 THR 27 -0.224 -21.191 3.348 195 HG22 THR 27 HG22 THR 27 0.595 -21.413 4.895 196 HG23 THR 27 HG23 THR 27 1.150 -22.290 3.469 197 H ALA 28 H ALA 28 1.183 -19.971 0.673 198 HA ALA 28 HA ALA 28 0.596 -22.718 -0.284 199 HB1 ALA 28 HB1 ALA 28 -1.365 -21.763 -0.953 200 HB2 ALA 28 HB2 ALA 28 -0.548 -20.368 -1.656 201 HB3 ALA 28 HB3 ALA 28 -0.870 -20.419 0.077 202 H ALA 29 H ALA 29 3.121 -22.533 -0.935 203 HA ALA 29 HA ALA 29 3.634 -21.063 -3.420 204 HB1 ALA 29 HB1 ALA 29 5.351 -21.426 -1.700 205 HB2 ALA 29 HB2 ALA 29 5.833 -22.222 -3.197 206 HB3 ALA 29 HB3 ALA 29 5.171 -23.172 -1.868 207 H ASN 30 H ASN 30 4.167 -24.534 -2.770 208 HA ASN 30 HA ASN 30 3.843 -26.405 -4.181 209 HB2 ASN 30 HB2 ASN 30 1.443 -24.802 -5.097 210 HB3 ASN 30 HB3 ASN 30 1.582 -26.555 -4.960 211 HD21 ASN 30 HD21 ASN 30 0.903 -23.613 -3.188 212 HD22 ASN 30 HD22 ASN 30 0.592 -24.354 -1.693 Start of MODEL 13 1 H2 PRO 1 HT1 PRO 1 5.006 14.984 0.134 2 H3 PRO 1 HT2 PRO 1 6.347 14.406 0.915 3 HA PRO 1 HA PRO 1 5.071 13.492 2.392 4 HB2 PRO 1 HB2 PRO 1 3.714 15.467 3.709 5 HB3 PRO 1 HB3 PRO 1 5.449 15.170 3.941 6 HG2 PRO 1 HG2 PRO 1 4.090 17.212 2.258 7 HG3 PRO 1 HG3 PRO 1 5.517 17.371 3.295 8 HD2 PRO 1 HD2 PRO 1 5.702 17.122 0.622 9 HD3 PRO 1 HD3 PRO 1 6.928 16.472 1.727 10 H ALA 2 H ALA 2 2.804 12.921 2.933 11 HA ALA 2 HA ALA 2 0.557 14.137 1.572 12 HB1 ALA 2 HB1 ALA 2 0.395 12.811 -0.320 13 HB2 ALA 2 HB2 ALA 2 1.213 11.447 0.442 14 HB3 ALA 2 HB3 ALA 2 2.149 12.825 -0.140 15 H ILE 3 H ILE 3 -0.496 13.829 3.591 16 HA ILE 3 HA ILE 3 -0.681 11.079 4.698 17 HB ILE 3 HB ILE 3 -1.932 13.630 5.737 18 HG12 ILE 3 HG12 ILE 3 0.395 14.174 5.315 19 HG13 ILE 3 HG13 ILE 3 0.203 13.903 7.047 20 HG21 ILE 3 HG21 ILE 3 -1.316 12.412 7.926 21 HG22 ILE 3 HG22 ILE 3 -1.051 10.992 6.914 22 HG23 ILE 3 HG23 ILE 3 -2.646 11.743 6.982 23 HD11 ILE 3 HD11 ILE 3 1.040 11.685 5.178 24 HD12 ILE 3 HD12 ILE 3 1.203 11.753 6.933 25 HD13 ILE 3 HD13 ILE 3 2.217 12.773 5.912 26 H TYR 4 H TYR 4 -3.005 13.722 3.983 27 HA TYR 4 HA TYR 4 -5.104 11.657 3.517 28 HB2 TYR 4 HB2 TYR 4 -4.910 14.360 4.602 29 HB3 TYR 4 HB3 TYR 4 -6.231 14.193 3.450 30 HD1 TYR 4 HD2 TYR 4 -4.683 12.393 6.349 31 HD2 TYR 4 HD1 TYR 4 -8.269 13.335 4.185 32 HE1 TYR 4 HE2 TYR 4 -6.029 11.207 8.065 33 HE2 TYR 4 HE1 TYR 4 -9.618 12.150 5.901 34 HH TYR 4 HH TYR 4 -8.260 10.083 8.196 35 H ILE 5 H ILE 5 -2.930 12.558 1.667 36 HA ILE 5 HA ILE 5 -4.404 13.869 -0.541 37 HB ILE 5 HB ILE 5 -1.561 12.890 -0.207 38 HG12 ILE 5 HG12 ILE 5 -2.849 15.625 0.052 39 HG13 ILE 5 HG13 ILE 5 -2.033 14.709 1.319 40 HG21 ILE 5 HG21 ILE 5 -3.041 13.823 -2.519 41 HG22 ILE 5 HG22 ILE 5 -1.398 13.188 -2.435 42 HG23 ILE 5 HG23 ILE 5 -1.696 14.906 -2.161 43 HD11 ILE 5 HD11 ILE 5 -0.339 16.164 0.668 44 HD12 ILE 5 HD12 ILE 5 -0.852 16.171 -1.018 45 HD13 ILE 5 HD13 ILE 5 -0.000 14.773 -0.363 46 H GLY 6 H GLY 6 -4.954 11.098 0.416 47 HA2 GLY 6 HA2 GLY 6 -5.909 9.320 -0.925 48 HA3 GLY 6 HA3 GLY 6 -4.826 9.781 -2.242 49 H ALA 7 H ALA 7 -2.640 9.970 -0.053 50 HA ALA 7 HA ALA 7 -0.933 8.541 0.738 51 HB1 ALA 7 HB1 ALA 7 -2.705 6.208 0.949 52 HB2 ALA 7 HB2 ALA 7 -3.407 7.670 1.641 53 HB3 ALA 7 HB3 ALA 7 -1.850 7.081 2.221 54 H THR 8 H THR 8 -1.763 8.551 -2.204 55 HA THR 8 HA THR 8 -1.283 5.813 -3.132 56 HB THR 8 HB THR 8 -1.550 8.535 -4.433 57 HG1 THR 8 HG1 THR 8 -3.209 6.271 -4.689 58 HG21 THR 8 HG21 THR 8 -0.194 7.411 -5.985 59 HG22 THR 8 HG22 THR 8 -1.824 7.037 -6.548 60 HG23 THR 8 HG23 THR 8 -0.916 5.843 -5.620 61 H VAL 9 H VAL 9 0.751 7.906 -1.715 62 HA VAL 9 HA VAL 9 3.054 7.141 -3.483 63 HB VAL 9 HB VAL 9 2.305 9.581 -3.442 64 HG11 VAL 9 HG11 VAL 9 2.426 10.832 -1.503 65 HG12 VAL 9 HG12 VAL 9 3.683 9.814 -0.800 66 HG13 VAL 9 HG13 VAL 9 2.005 9.268 -0.804 67 HG21 VAL 9 HG21 VAL 9 4.612 8.806 -4.065 68 HG22 VAL 9 HG22 VAL 9 5.096 9.024 -2.383 69 HG23 VAL 9 HG23 VAL 9 4.592 10.415 -3.343 70 H GLY 10 H GLY 10 1.753 7.365 -0.243 71 HA2 GLY 10 HA2 GLY 10 3.937 7.225 1.433 72 HA3 GLY 10 HA3 GLY 10 2.491 6.254 1.705 73 HA PRO 11 HA PRO 11 5.909 3.692 -0.554 74 HB2 PRO 11 HB2 PRO 11 8.395 4.237 0.450 75 HB3 PRO 11 HB3 PRO 11 7.736 5.044 -0.987 76 HG2 PRO 11 HG2 PRO 11 7.931 6.026 1.813 77 HG3 PRO 11 HG3 PRO 11 8.149 6.902 0.291 78 HD2 PRO 11 HD2 PRO 11 5.877 7.032 1.810 79 HD3 PRO 11 HD3 PRO 11 5.912 7.306 0.054 80 H SER 12 H SER 12 6.444 4.772 2.812 81 HA SER 12 HA SER 12 7.354 2.283 3.869 82 HB2 SER 12 HB2 SER 12 5.709 4.450 5.212 83 HB3 SER 12 HB3 SER 12 6.804 3.321 6.005 84 HG SER 12 HG SER 12 7.333 5.664 4.761 85 H VAL 13 H VAL 13 4.079 3.713 4.232 86 HA VAL 13 HA VAL 13 2.720 1.546 5.314 87 HB VAL 13 HB VAL 13 1.861 3.512 3.166 88 HG11 VAL 13 HG11 VAL 13 0.460 1.296 4.415 89 HG12 VAL 13 HG12 VAL 13 -0.076 2.360 3.116 90 HG13 VAL 13 HG13 VAL 13 -0.319 2.831 4.799 91 HG21 VAL 13 HG21 VAL 13 0.747 4.344 5.501 92 HG22 VAL 13 HG22 VAL 13 2.314 4.910 4.923 93 HG23 VAL 13 HG23 VAL 13 2.230 3.609 6.111 94 H TRP 14 H TRP 14 3.545 2.062 1.886 95 HA TRP 14 HA TRP 14 2.107 -0.157 0.802 96 HB2 TRP 14 HB2 TRP 14 2.945 1.572 -0.619 97 HB3 TRP 14 HB3 TRP 14 4.584 1.385 0.004 98 HD1 TRP 14 HD1 TRP 14 6.077 0.206 -1.664 99 HE1 TRP 14 HE1 TRP 14 5.796 -1.679 -3.399 100 HE3 TRP 14 HE3 TRP 14 1.110 -0.818 -1.062 101 HZ2 TRP 14 HZ2 TRP 14 3.739 -3.395 -4.401 102 HZ3 TRP 14 HZ3 TRP 14 0.017 -2.581 -2.419 103 HH2 TRP 14 HH2 TRP 14 1.323 -3.869 -4.086 104 H ALA 15 H ALA 15 5.563 0.099 1.736 105 HA ALA 15 HA ALA 15 6.257 -2.616 1.219 106 HB1 ALA 15 HB1 ALA 15 7.519 -0.327 1.982 107 HB2 ALA 15 HB2 ALA 15 8.270 -1.921 2.066 108 HB3 ALA 15 HB3 ALA 15 7.531 -1.219 3.505 109 H TYR 16 H TYR 16 4.604 -1.119 3.934 110 HA TYR 16 HA TYR 16 4.975 -3.267 5.832 111 HB2 TYR 16 HB2 TYR 16 4.266 -0.823 6.183 112 HB3 TYR 16 HB3 TYR 16 2.661 -1.323 5.649 113 HD1 TYR 16 HD2 TYR 16 5.224 -1.680 8.278 114 HD2 TYR 16 HD1 TYR 16 1.275 -2.791 7.007 115 HE1 TYR 16 HE2 TYR 16 4.735 -2.546 10.550 116 HE2 TYR 16 HE1 TYR 16 0.787 -3.656 9.279 117 HH TYR 16 HH TYR 16 1.543 -3.433 11.531 118 H LEU 17 H LEU 17 2.281 -2.416 3.629 119 HA LEU 17 HA LEU 17 0.656 -4.686 4.311 120 HB2 LEU 17 HB2 LEU 17 -0.731 -3.318 3.161 121 HB3 LEU 17 HB3 LEU 17 0.641 -2.364 2.610 122 HG LEU 17 HG LEU 17 0.993 -4.083 0.791 123 HD11 LEU 17 HD11 LEU 17 -1.096 -5.383 2.306 124 HD12 LEU 17 HD12 LEU 17 -0.139 -6.021 0.969 125 HD13 LEU 17 HD13 LEU 17 -1.625 -5.130 0.643 126 HD21 LEU 17 HD21 LEU 17 -0.237 -2.726 -0.539 127 HD22 LEU 17 HD22 LEU 17 -0.775 -1.931 0.941 128 HD23 LEU 17 HD23 LEU 17 -1.742 -3.224 0.232 129 H VAL 18 H VAL 18 3.264 -4.182 2.020 130 HA VAL 18 HA VAL 18 2.808 -6.668 0.549 131 HB VAL 18 HB VAL 18 5.003 -4.592 0.725 132 HG11 VAL 18 HG11 VAL 18 5.317 -6.224 -1.586 133 HG12 VAL 18 HG12 VAL 18 5.225 -7.303 -0.193 134 HG13 VAL 18 HG13 VAL 18 6.441 -6.028 -0.242 135 HG21 VAL 18 HG21 VAL 18 4.032 -3.685 -1.144 136 HG22 VAL 18 HG22 VAL 18 2.596 -4.495 -0.518 137 HG23 VAL 18 HG23 VAL 18 3.557 -5.258 -1.787 138 H ALA 19 H ALA 19 4.645 -5.662 3.369 139 HA ALA 19 HA ALA 19 6.412 -7.967 3.455 140 HB1 ALA 19 HB1 ALA 19 5.513 -6.150 5.709 141 HB2 ALA 19 HB2 ALA 19 6.710 -5.667 4.508 142 HB3 ALA 19 HB3 ALA 19 7.038 -7.025 5.583 143 H LEU 20 H LEU 20 3.341 -7.106 5.066 144 HA LEU 20 HA LEU 20 3.195 -9.526 6.649 145 HB2 LEU 20 HB2 LEU 20 1.536 -7.168 5.954 146 HB3 LEU 20 HB3 LEU 20 0.636 -8.606 6.442 147 HG LEU 20 HG LEU 20 2.977 -7.546 8.037 148 HD11 LEU 20 HD11 LEU 20 0.742 -6.067 7.659 149 HD12 LEU 20 HD12 LEU 20 1.630 -6.088 9.183 150 HD13 LEU 20 HD13 LEU 20 0.196 -7.095 8.983 151 HD21 LEU 20 HD21 LEU 20 2.499 -9.238 9.475 152 HD22 LEU 20 HD22 LEU 20 1.596 -9.939 8.132 153 HD23 LEU 20 HD23 LEU 20 0.761 -8.970 9.347 154 H VAL 21 H VAL 21 1.583 -8.495 3.617 155 HA VAL 21 HA VAL 21 0.229 -11.024 3.212 156 HB VAL 21 HB VAL 21 0.961 -8.754 1.333 157 HG11 VAL 21 HG11 VAL 21 0.223 -11.086 0.403 158 HG12 VAL 21 HG12 VAL 21 -0.570 -9.634 -0.210 159 HG13 VAL 21 HG13 VAL 21 -1.370 -10.629 1.008 160 HG21 VAL 21 HG21 VAL 21 -1.312 -7.944 1.821 161 HG22 VAL 21 HG22 VAL 21 -0.372 -8.064 3.309 162 HG23 VAL 21 HG23 VAL 21 -1.568 -9.300 2.921 163 H GLY 22 H GLY 22 3.434 -9.844 2.533 164 HA2 GLY 22 HA2 GLY 22 4.051 -11.695 0.392 165 HA3 GLY 22 HA3 GLY 22 5.231 -10.790 1.341 166 H ALA 23 H ALA 23 3.933 -11.922 3.858 167 HA ALA 23 HA ALA 23 5.656 -14.280 4.058 168 HB1 ALA 23 HB1 ALA 23 3.863 -13.963 6.270 169 HB2 ALA 23 HB2 ALA 23 4.372 -12.359 5.744 170 HB3 ALA 23 HB3 ALA 23 5.578 -13.563 6.196 171 H ALA 24 H ALA 24 2.213 -13.641 3.635 172 HA ALA 24 HA ALA 24 1.498 -16.478 4.086 173 HB1 ALA 24 HB1 ALA 24 -0.341 -14.362 3.010 174 HB2 ALA 24 HB2 ALA 24 0.227 -14.228 4.674 175 HB3 ALA 24 HB3 ALA 24 -0.684 -15.649 4.165 176 H ALA 25 H ALA 25 2.264 -14.334 1.454 177 HA ALA 25 HA ALA 25 0.876 -15.708 -0.664 178 HB1 ALA 25 HB1 ALA 25 2.932 -14.511 -1.905 179 HB2 ALA 25 HB2 ALA 25 3.083 -13.722 -0.334 180 HB3 ALA 25 HB3 ALA 25 1.582 -13.584 -1.251 181 H VAL 26 H VAL 26 3.692 -16.474 1.171 182 HA VAL 26 HA VAL 26 4.900 -18.204 -0.885 183 HB VAL 26 HB VAL 26 5.450 -17.669 2.051 184 HG11 VAL 26 HG11 VAL 26 7.328 -19.020 0.115 185 HG12 VAL 26 HG12 VAL 26 6.182 -19.954 1.077 186 HG13 VAL 26 HG13 VAL 26 7.412 -18.974 1.876 187 HG21 VAL 26 HG21 VAL 26 7.279 -16.898 -0.182 188 HG22 VAL 26 HG22 VAL 26 6.971 -16.078 1.349 189 HG23 VAL 26 HG23 VAL 26 5.807 -15.949 0.031 190 H THR 27 H THR 27 2.562 -18.472 1.653 191 HA THR 27 HA THR 27 2.791 -21.452 1.674 192 HB THR 27 HB THR 27 1.350 -19.450 3.445 193 HG1 THR 27 HG1 THR 27 3.011 -20.590 4.892 194 HG21 THR 27 HG21 THR 27 0.956 -21.406 4.926 195 HG22 THR 27 HG22 THR 27 1.626 -22.460 3.680 196 HG23 THR 27 HG23 THR 27 0.132 -21.571 3.376 197 H ALA 28 H ALA 28 1.070 -18.980 0.163 198 HA ALA 28 HA ALA 28 -1.521 -20.402 0.047 199 HB1 ALA 28 HB1 ALA 28 -2.028 -18.378 -1.433 200 HB2 ALA 28 HB2 ALA 28 -0.393 -17.824 -1.074 201 HB3 ALA 28 HB3 ALA 28 -1.568 -18.009 0.229 202 H ALA 29 H ALA 29 1.350 -19.901 -1.925 203 HA ALA 29 HA ALA 29 0.141 -20.900 -4.396 204 HB1 ALA 29 HB1 ALA 29 2.615 -19.709 -3.432 205 HB2 ALA 29 HB2 ALA 29 1.942 -19.700 -5.062 206 HB3 ALA 29 HB3 ALA 29 2.943 -21.051 -4.528 207 H ASN 30 H ASN 30 0.096 -23.029 -5.067 208 HA ASN 30 HA ASN 30 1.971 -25.053 -4.283 209 HB2 ASN 30 HB2 ASN 30 0.352 -24.312 -2.221 210 HB3 ASN 30 HB3 ASN 30 -0.609 -25.612 -2.930 211 HD21 ASN 30 HD21 ASN 30 0.735 -27.703 -3.403 212 HD22 ASN 30 HD22 ASN 30 1.901 -28.129 -2.248 Start of MODEL 14 1 H2 PRO 1 HT1 PRO 1 -0.879 22.374 7.892 2 H3 PRO 1 HT2 PRO 1 -1.952 23.573 8.281 3 HA PRO 1 HA PRO 1 -1.517 24.536 6.401 4 HB2 PRO 1 HB2 PRO 1 1.104 25.306 6.413 5 HB3 PRO 1 HB3 PRO 1 -0.138 26.107 7.399 6 HG2 PRO 1 HG2 PRO 1 1.863 24.050 8.182 7 HG3 PRO 1 HG3 PRO 1 1.329 25.497 9.056 8 HD2 PRO 1 HD2 PRO 1 0.435 23.028 9.661 9 HD3 PRO 1 HD3 PRO 1 -0.561 24.483 9.858 10 H ALA 2 H ALA 2 -1.001 23.897 4.298 11 HA ALA 2 HA ALA 2 1.302 22.344 3.563 12 HB1 ALA 2 HB1 ALA 2 0.614 20.211 3.944 13 HB2 ALA 2 HB2 ALA 2 -1.008 20.542 3.336 14 HB3 ALA 2 HB3 ALA 2 -0.594 20.933 5.006 15 H ILE 3 H ILE 3 0.820 24.230 2.010 16 HA ILE 3 HA ILE 3 -1.347 24.443 0.265 17 HB ILE 3 HB ILE 3 1.636 24.764 -0.177 18 HG12 ILE 3 HG12 ILE 3 -0.607 26.697 0.497 19 HG13 ILE 3 HG13 ILE 3 0.701 26.196 1.569 20 HG21 ILE 3 HG21 ILE 3 0.878 24.718 -2.379 21 HG22 ILE 3 HG22 ILE 3 0.665 26.424 -1.989 22 HG23 ILE 3 HG23 ILE 3 -0.718 25.331 -1.951 23 HD11 ILE 3 HD11 ILE 3 0.736 28.126 -0.682 24 HD12 ILE 3 HD12 ILE 3 2.142 27.068 -0.557 25 HD13 ILE 3 HD13 ILE 3 1.694 28.105 0.798 26 H TYR 4 H TYR 4 1.518 23.246 -1.353 27 HA TYR 4 HA TYR 4 -0.119 21.025 -2.497 28 HB2 TYR 4 HB2 TYR 4 1.656 23.036 -3.497 29 HB3 TYR 4 HB3 TYR 4 2.332 21.452 -3.874 30 HD1 TYR 4 HD1 TYR 4 -1.163 22.811 -3.660 31 HD2 TYR 4 HD2 TYR 4 1.793 20.788 -6.031 32 HE1 TYR 4 HE1 TYR 4 -2.822 22.526 -5.486 33 HE2 TYR 4 HE2 TYR 4 0.135 20.501 -7.856 34 HH TYR 4 HH TYR 4 -2.241 22.045 -8.439 35 H ILE 5 H ILE 5 1.453 21.130 0.045 36 HA ILE 5 HA ILE 5 3.624 19.168 -0.396 37 HB ILE 5 HB ILE 5 2.522 20.572 2.047 38 HG12 ILE 5 HG12 ILE 5 4.917 21.091 0.259 39 HG13 ILE 5 HG13 ILE 5 3.533 22.154 0.521 40 HG21 ILE 5 HG21 ILE 5 3.775 19.149 3.258 41 HG22 ILE 5 HG22 ILE 5 5.208 19.725 2.406 42 HG23 ILE 5 HG23 ILE 5 4.313 18.338 1.788 43 HD11 ILE 5 HD11 ILE 5 5.349 21.286 2.778 44 HD12 ILE 5 HD12 ILE 5 4.177 22.603 2.773 45 HD13 ILE 5 HD13 ILE 5 5.657 22.736 1.824 46 H GLY 6 H GLY 6 0.717 18.566 -0.743 47 HA2 GLY 6 HA2 GLY 6 0.616 16.204 1.079 48 HA3 GLY 6 HA3 GLY 6 -0.826 17.183 0.811 49 H ALA 7 H ALA 7 1.679 15.980 -1.435 50 HA ALA 7 HA ALA 7 -0.534 14.751 -3.049 51 HB1 ALA 7 HB1 ALA 7 0.867 15.304 -4.990 52 HB2 ALA 7 HB2 ALA 7 2.140 15.893 -3.922 53 HB3 ALA 7 HB3 ALA 7 0.602 16.750 -4.015 54 H THR 8 H THR 8 1.277 13.597 -0.856 55 HA THR 8 HA THR 8 2.853 11.609 -2.413 56 HB THR 8 HB THR 8 2.604 12.102 0.573 57 HG1 THR 8 HG1 THR 8 4.518 13.030 -1.303 58 HG21 THR 8 HG21 THR 8 3.588 10.001 0.373 59 HG22 THR 8 HG22 THR 8 5.004 11.052 0.345 60 HG23 THR 8 HG23 THR 8 4.362 10.398 -1.163 61 H VAL 9 H VAL 9 2.707 9.292 -1.400 62 HA VAL 9 HA VAL 9 -0.186 8.640 -0.933 63 HB VAL 9 HB VAL 9 2.037 7.143 -2.359 64 HG11 VAL 9 HG11 VAL 9 -0.334 5.875 -2.957 65 HG12 VAL 9 HG12 VAL 9 -0.548 6.271 -1.252 66 HG13 VAL 9 HG13 VAL 9 0.837 5.308 -1.767 67 HG21 VAL 9 HG21 VAL 9 1.012 7.767 -4.349 68 HG22 VAL 9 HG22 VAL 9 0.682 9.195 -3.365 69 HG23 VAL 9 HG23 VAL 9 -0.567 7.970 -3.590 70 H GLY 10 H GLY 10 2.885 6.829 -0.592 71 HA2 GLY 10 HA2 GLY 10 3.240 6.811 2.146 72 HA3 GLY 10 HA3 GLY 10 1.957 5.624 1.896 73 HA PRO 11 HA PRO 11 6.022 4.059 -0.142 74 HB2 PRO 11 HB2 PRO 11 8.293 4.956 1.086 75 HB3 PRO 11 HB3 PRO 11 7.555 5.784 -0.299 76 HG2 PRO 11 HG2 PRO 11 7.457 6.470 2.584 77 HG3 PRO 11 HG3 PRO 11 7.495 7.532 1.170 78 HD2 PRO 11 HD2 PRO 11 5.234 6.940 2.639 79 HD3 PRO 11 HD3 PRO 11 5.232 7.531 0.962 80 H SER 12 H SER 12 6.351 4.867 3.336 81 HA SER 12 HA SER 12 7.505 2.324 4.077 82 HB2 SER 12 HB2 SER 12 6.625 3.256 6.386 83 HB3 SER 12 HB3 SER 12 7.925 4.091 5.542 84 HG SER 12 HG SER 12 6.473 5.655 5.961 85 H VAL 13 H VAL 13 4.278 3.656 4.922 86 HA VAL 13 HA VAL 13 3.078 1.345 5.912 87 HB VAL 13 HB VAL 13 1.928 3.527 4.141 88 HG11 VAL 13 HG11 VAL 13 0.704 1.274 5.665 89 HG12 VAL 13 HG12 VAL 13 0.155 2.059 4.184 90 HG13 VAL 13 HG13 VAL 13 -0.112 2.837 5.744 91 HG21 VAL 13 HG21 VAL 13 2.526 4.790 5.932 92 HG22 VAL 13 HG22 VAL 13 2.823 3.374 6.940 93 HG23 VAL 13 HG23 VAL 13 1.184 3.999 6.759 94 H TRP 14 H TRP 14 3.675 2.209 2.533 95 HA TRP 14 HA TRP 14 2.045 0.126 1.364 96 HB2 TRP 14 HB2 TRP 14 2.716 2.095 0.120 97 HB3 TRP 14 HB3 TRP 14 4.422 1.751 0.409 98 HD1 TRP 14 HD1 TRP 14 5.595 0.539 -1.481 99 HE1 TRP 14 HE1 TRP 14 4.875 -0.969 -3.444 100 HE3 TRP 14 HE3 TRP 14 0.589 0.198 -0.537 101 HZ2 TRP 14 HZ2 TRP 14 2.488 -2.163 -4.478 102 HZ3 TRP 14 HZ3 TRP 14 -0.884 -1.129 -2.025 103 HH2 TRP 14 HH2 TRP 14 0.059 -2.309 -3.992 104 H ALA 15 H ALA 15 5.504 0.364 2.217 105 HA ALA 15 HA ALA 15 6.262 -2.214 1.186 106 HB1 ALA 15 HB1 ALA 15 8.029 -0.748 1.582 107 HB2 ALA 15 HB2 ALA 15 8.114 -1.745 3.035 108 HB3 ALA 15 HB3 ALA 15 7.337 -0.163 3.095 109 H TYR 16 H TYR 16 4.663 -1.183 4.112 110 HA TYR 16 HA TYR 16 5.235 -3.592 5.659 111 HB2 TYR 16 HB2 TYR 16 4.535 -1.122 6.313 112 HB3 TYR 16 HB3 TYR 16 2.901 -1.761 6.125 113 HD1 TYR 16 HD2 TYR 16 6.073 -3.284 7.429 114 HD2 TYR 16 HD1 TYR 16 2.000 -2.185 8.239 115 HE1 TYR 16 HE2 TYR 16 6.231 -4.346 9.664 116 HE2 TYR 16 HE1 TYR 16 2.158 -3.248 10.473 117 HH TYR 16 HH TYR 16 4.161 -5.402 11.347 118 H LEU 17 H LEU 17 2.380 -2.349 3.887 119 HA LEU 17 HA LEU 17 0.753 -4.684 4.360 120 HB2 LEU 17 HB2 LEU 17 -0.717 -3.149 3.585 121 HB3 LEU 17 HB3 LEU 17 0.618 -2.097 3.129 122 HG LEU 17 HG LEU 17 0.806 -3.460 0.985 123 HD11 LEU 17 HD11 LEU 17 -0.472 -5.294 0.740 124 HD12 LEU 17 HD12 LEU 17 -1.932 -4.332 0.972 125 HD13 LEU 17 HD13 LEU 17 -1.114 -5.040 2.363 126 HD21 LEU 17 HD21 LEU 17 -0.234 -1.269 0.944 127 HD22 LEU 17 HD22 LEU 17 -1.736 -1.922 1.598 128 HD23 LEU 17 HD23 LEU 17 -1.221 -2.357 -0.031 129 H VAL 18 H VAL 18 3.299 -3.960 2.117 130 HA VAL 18 HA VAL 18 2.559 -6.026 0.166 131 HB VAL 18 HB VAL 18 4.961 -4.241 0.644 132 HG11 VAL 18 HG11 VAL 18 4.432 -6.206 -1.606 133 HG12 VAL 18 HG12 VAL 18 5.751 -6.279 -0.438 134 HG13 VAL 18 HG13 VAL 18 5.698 -4.979 -1.629 135 HG21 VAL 18 HG21 VAL 18 3.932 -2.779 -0.763 136 HG22 VAL 18 HG22 VAL 18 2.468 -3.687 -0.386 137 HG23 VAL 18 HG23 VAL 18 3.388 -4.064 -1.841 138 H ALA 19 H ALA 19 5.276 -5.596 2.475 139 HA ALA 19 HA ALA 19 6.407 -8.190 2.143 140 HB1 ALA 19 HB1 ALA 19 7.803 -7.453 3.820 141 HB2 ALA 19 HB2 ALA 19 6.464 -6.876 4.814 142 HB3 ALA 19 HB3 ALA 19 7.032 -5.909 3.454 143 H LEU 20 H LEU 20 3.798 -7.023 4.253 144 HA LEU 20 HA LEU 20 3.560 -9.466 5.793 145 HB2 LEU 20 HB2 LEU 20 2.268 -6.853 5.486 146 HB3 LEU 20 HB3 LEU 20 1.120 -8.138 5.862 147 HG LEU 20 HG LEU 20 3.620 -8.218 7.431 148 HD11 LEU 20 HD11 LEU 20 2.438 -5.709 7.084 149 HD12 LEU 20 HD12 LEU 20 3.526 -6.176 8.390 150 HD13 LEU 20 HD13 LEU 20 1.779 -6.293 8.612 151 HD21 LEU 20 HD21 LEU 20 2.149 -8.946 9.143 152 HD22 LEU 20 HD22 LEU 20 1.456 -9.614 7.664 153 HD23 LEU 20 HD23 LEU 20 0.756 -8.167 8.390 154 H VAL 21 H VAL 21 1.728 -8.125 3.019 155 HA VAL 21 HA VAL 21 -0.075 -10.356 2.769 156 HB VAL 21 HB VAL 21 0.913 -8.153 0.948 157 HG11 VAL 21 HG11 VAL 21 0.311 -9.769 -0.643 158 HG12 VAL 21 HG12 VAL 21 -1.196 -8.885 -0.410 159 HG13 VAL 21 HG13 VAL 21 -0.956 -10.443 0.381 160 HG21 VAL 21 HG21 VAL 21 -1.915 -8.512 1.847 161 HG22 VAL 21 HG22 VAL 21 -1.001 -7.026 1.590 162 HG23 VAL 21 HG23 VAL 21 -0.738 -7.981 3.049 163 H GLY 22 H GLY 22 3.233 -9.856 1.817 164 HA2 GLY 22 HA2 GLY 22 3.275 -11.874 -0.278 165 HA3 GLY 22 HA3 GLY 22 4.691 -11.139 0.479 166 H ALA 23 H ALA 23 3.718 -11.836 3.202 167 HA ALA 23 HA ALA 23 5.040 -14.344 3.539 168 HB1 ALA 23 HB1 ALA 23 4.958 -13.133 5.493 169 HB2 ALA 23 HB2 ALA 23 3.497 -14.084 5.756 170 HB3 ALA 23 HB3 ALA 23 3.378 -12.447 5.114 171 H ALA 24 H ALA 24 1.750 -13.543 2.702 172 HA ALA 24 HA ALA 24 0.494 -16.011 3.524 173 HB1 ALA 24 HB1 ALA 24 -0.148 -13.872 1.473 174 HB2 ALA 24 HB2 ALA 24 -0.775 -13.992 3.116 175 HB3 ALA 24 HB3 ALA 24 -1.262 -15.171 1.898 176 H ALA 25 H ALA 25 2.093 -14.937 0.538 177 HA ALA 25 HA ALA 25 1.361 -17.300 -1.001 178 HB1 ALA 25 HB1 ALA 25 3.230 -16.307 -2.479 179 HB2 ALA 25 HB2 ALA 25 3.334 -15.024 -1.273 180 HB3 ALA 25 HB3 ALA 25 1.834 -15.277 -2.165 181 H VAL 26 H VAL 26 3.497 -16.832 1.559 182 HA VAL 26 HA VAL 26 5.481 -18.831 0.585 183 HB VAL 26 HB VAL 26 5.307 -16.999 2.999 184 HG11 VAL 26 HG11 VAL 26 7.237 -19.165 2.235 185 HG12 VAL 26 HG12 VAL 26 6.630 -18.721 3.830 186 HG13 VAL 26 HG13 VAL 26 7.852 -17.722 3.043 187 HG21 VAL 26 HG21 VAL 26 5.987 -16.476 0.348 188 HG22 VAL 26 HG22 VAL 26 7.547 -16.713 1.138 189 HG23 VAL 26 HG23 VAL 26 6.430 -15.489 1.740 190 H THR 27 H THR 27 2.644 -18.614 2.504 191 HA THR 27 HA THR 27 3.333 -21.139 3.965 192 HB THR 27 HB THR 27 2.683 -18.971 5.164 193 HG1 THR 27 HG1 THR 27 0.730 -20.832 5.785 194 HG21 THR 27 HG21 THR 27 -0.167 -19.557 4.661 195 HG22 THR 27 HG22 THR 27 0.699 -18.866 3.288 196 HG23 THR 27 HG23 THR 27 0.652 -18.003 4.825 197 H ALA 28 H ALA 28 1.137 -19.667 1.661 198 HA ALA 28 HA ALA 28 -0.704 -21.991 1.720 199 HB1 ALA 28 HB1 ALA 28 -2.076 -20.257 1.237 200 HB2 ALA 28 HB2 ALA 28 -1.352 -20.231 -0.371 201 HB3 ALA 28 HB3 ALA 28 -0.705 -19.198 0.904 202 H ALA 29 H ALA 29 1.934 -22.671 0.915 203 HA ALA 29 HA ALA 29 1.964 -22.756 -2.043 204 HB1 ALA 29 HB1 ALA 29 4.119 -22.467 -1.314 205 HB2 ALA 29 HB2 ALA 29 4.089 -24.226 -1.181 206 HB3 ALA 29 HB3 ALA 29 3.795 -23.228 0.243 207 H ASN 30 H ASN 30 0.392 -24.500 0.283 208 HA ASN 30 HA ASN 30 0.530 -27.013 -1.351 209 HB2 ASN 30 HB2 ASN 30 0.535 -26.555 1.640 210 HB3 ASN 30 HB3 ASN 30 0.138 -28.123 0.935 211 HD21 ASN 30 HD21 ASN 30 1.888 -29.463 0.422 212 HD22 ASN 30 HD22 ASN 30 3.505 -28.951 0.344 Start of MODEL 15 1 H2 PRO 1 HT1 PRO 1 11.413 23.357 -2.856 2 H3 PRO 1 HT2 PRO 1 11.019 24.810 -3.546 3 HA PRO 1 HA PRO 1 8.929 24.289 -3.416 4 HB2 PRO 1 HB2 PRO 1 8.484 22.075 -4.957 5 HB3 PRO 1 HB3 PRO 1 8.803 23.680 -5.647 6 HG2 PRO 1 HG2 PRO 1 10.665 21.391 -5.248 7 HG3 PRO 1 HG3 PRO 1 10.497 22.481 -6.635 8 HD2 PRO 1 HD2 PRO 1 12.456 22.773 -4.824 9 HD3 PRO 1 HD3 PRO 1 11.706 24.161 -5.637 10 H ALA 2 H ALA 2 7.546 21.830 -3.362 11 HA ALA 2 HA ALA 2 8.837 20.173 -1.260 12 HB1 ALA 2 HB1 ALA 2 6.917 22.288 -0.828 13 HB2 ALA 2 HB2 ALA 2 7.734 21.283 0.368 14 HB3 ALA 2 HB3 ALA 2 6.217 20.742 -0.349 15 H ILE 3 H ILE 3 8.114 19.520 -3.967 16 HA ILE 3 HA ILE 3 5.523 18.216 -4.072 17 HB ILE 3 HB ILE 3 8.060 17.858 -5.704 18 HG12 ILE 3 HG12 ILE 3 5.648 19.533 -6.413 19 HG13 ILE 3 HG13 ILE 3 6.987 20.204 -5.481 20 HG21 ILE 3 HG21 ILE 3 6.811 16.107 -6.495 21 HG22 ILE 3 HG22 ILE 3 6.005 17.386 -7.404 22 HG23 ILE 3 HG23 ILE 3 5.295 16.789 -5.905 23 HD11 ILE 3 HD11 ILE 3 8.500 19.262 -7.359 24 HD12 ILE 3 HD12 ILE 3 7.554 20.706 -7.720 25 HD13 ILE 3 HD13 ILE 3 7.015 19.130 -8.300 26 H TYR 4 H TYR 4 8.795 16.748 -4.190 27 HA TYR 4 HA TYR 4 7.676 14.409 -2.691 28 HB2 TYR 4 HB2 TYR 4 9.145 14.743 -5.154 29 HB3 TYR 4 HB3 TYR 4 10.045 13.711 -4.044 30 HD1 TYR 4 HD2 TYR 4 6.406 14.224 -4.813 31 HD2 TYR 4 HD1 TYR 4 9.665 11.455 -4.428 32 HE1 TYR 4 HE2 TYR 4 4.866 12.341 -5.308 33 HE2 TYR 4 HE1 TYR 4 8.126 9.571 -4.921 34 HH TYR 4 HH TYR 4 5.478 9.241 -4.635 35 H ILE 5 H ILE 5 9.028 16.939 -1.818 36 HA ILE 5 HA ILE 5 11.531 15.925 -0.581 37 HB ILE 5 HB ILE 5 10.175 18.626 -0.697 38 HG12 ILE 5 HG12 ILE 5 11.173 17.551 -2.821 39 HG13 ILE 5 HG13 ILE 5 11.723 19.174 -2.412 40 HG21 ILE 5 HG21 ILE 5 11.476 18.876 1.197 41 HG22 ILE 5 HG22 ILE 5 12.682 19.248 -0.034 42 HG23 ILE 5 HG23 ILE 5 12.631 17.643 0.694 43 HD11 ILE 5 HD11 ILE 5 13.637 17.748 -3.005 44 HD12 ILE 5 HD12 ILE 5 13.175 16.592 -1.757 45 HD13 ILE 5 HD13 ILE 5 13.719 18.207 -1.304 46 H GLY 6 H GLY 6 8.769 15.121 0.213 47 HA2 GLY 6 HA2 GLY 6 8.849 14.528 2.816 48 HA3 GLY 6 HA3 GLY 6 8.519 16.257 2.937 49 H ALA 7 H ALA 7 7.004 15.750 0.219 50 HA ALA 7 HA ALA 7 4.413 15.118 1.559 51 HB1 ALA 7 HB1 ALA 7 5.350 16.668 -0.832 52 HB2 ALA 7 HB2 ALA 7 4.260 17.168 0.462 53 HB3 ALA 7 HB3 ALA 7 3.687 16.080 -0.803 54 H THR 8 H THR 8 6.391 13.037 0.690 55 HA THR 8 HA THR 8 5.778 11.759 -1.735 56 HB THR 8 HB THR 8 7.566 11.080 -0.224 57 HG1 THR 8 HG1 THR 8 7.358 9.086 -0.822 58 HG21 THR 8 HG21 THR 8 6.365 9.580 1.778 59 HG22 THR 8 HG22 THR 8 5.350 11.020 1.682 60 HG23 THR 8 HG23 THR 8 7.081 11.179 1.981 61 H VAL 9 H VAL 9 4.611 9.421 -1.585 62 HA VAL 9 HA VAL 9 1.795 10.013 -0.845 63 HB VAL 9 HB VAL 9 3.162 7.842 -2.468 64 HG11 VAL 9 HG11 VAL 9 0.251 8.293 -2.742 65 HG12 VAL 9 HG12 VAL 9 0.751 7.572 -1.212 66 HG13 VAL 9 HG13 VAL 9 1.161 6.782 -2.735 67 HG21 VAL 9 HG21 VAL 9 1.468 9.276 -4.110 68 HG22 VAL 9 HG22 VAL 9 3.208 9.541 -3.979 69 HG23 VAL 9 HG23 VAL 9 2.092 10.525 -3.032 70 H GLY 10 H GLY 10 3.374 6.841 -0.893 71 HA2 GLY 10 HA2 GLY 10 3.289 6.551 2.014 72 HA3 GLY 10 HA3 GLY 10 2.034 5.633 1.179 73 HA PRO 11 HA PRO 11 6.186 3.835 -0.372 74 HB2 PRO 11 HB2 PRO 11 8.469 4.719 0.849 75 HB3 PRO 11 HB3 PRO 11 7.788 5.491 -0.597 76 HG2 PRO 11 HG2 PRO 11 7.630 6.330 2.251 77 HG3 PRO 11 HG3 PRO 11 7.786 7.314 0.788 78 HD2 PRO 11 HD2 PRO 11 5.438 6.962 2.155 79 HD3 PRO 11 HD3 PRO 11 5.533 7.366 0.428 80 H SER 12 H SER 12 6.722 4.821 3.040 81 HA SER 12 HA SER 12 7.664 2.267 3.933 82 HB2 SER 12 HB2 SER 12 6.482 4.735 5.189 83 HB3 SER 12 HB3 SER 12 6.850 3.331 6.185 84 HG SER 12 HG SER 12 8.714 4.423 6.182 85 H VAL 13 H VAL 13 4.433 3.791 4.263 86 HA VAL 13 HA VAL 13 3.110 1.627 5.526 87 HB VAL 13 HB VAL 13 2.036 3.607 3.492 88 HG11 VAL 13 HG11 VAL 13 0.195 3.212 5.547 89 HG12 VAL 13 HG12 VAL 13 0.827 1.597 5.228 90 HG13 VAL 13 HG13 VAL 13 0.097 2.532 3.922 91 HG21 VAL 13 HG21 VAL 13 3.067 3.904 6.245 92 HG22 VAL 13 HG22 VAL 13 1.481 4.628 5.973 93 HG23 VAL 13 HG23 VAL 13 2.857 5.121 4.985 94 H TRP 14 H TRP 14 3.658 2.273 2.064 95 HA TRP 14 HA TRP 14 2.050 0.128 1.044 96 HB2 TRP 14 HB2 TRP 14 2.760 1.920 -0.379 97 HB3 TRP 14 HB3 TRP 14 4.455 1.670 0.039 98 HD1 TRP 14 HD1 TRP 14 5.767 0.380 -1.699 99 HE1 TRP 14 HE1 TRP 14 5.220 -1.355 -3.526 100 HE3 TRP 14 HE3 TRP 14 0.753 -0.184 -0.910 101 HZ2 TRP 14 HZ2 TRP 14 2.955 -2.792 -4.520 102 HZ3 TRP 14 HZ3 TRP 14 -0.573 -1.741 -2.309 103 HH2 TRP 14 HH2 TRP 14 0.520 -3.044 -4.113 104 H ALA 15 H ALA 15 5.483 0.305 1.992 105 HA ALA 15 HA ALA 15 6.164 -2.368 1.133 106 HB1 ALA 15 HB1 ALA 15 7.925 -0.822 1.424 107 HB2 ALA 15 HB2 ALA 15 8.076 -1.871 2.834 108 HB3 ALA 15 HB3 ALA 15 7.314 -0.288 2.990 109 H TYR 16 H TYR 16 4.665 -1.047 4.013 110 HA TYR 16 HA TYR 16 5.144 -3.363 5.712 111 HB2 TYR 16 HB2 TYR 16 4.581 -0.856 6.238 112 HB3 TYR 16 HB3 TYR 16 2.908 -1.366 6.018 113 HD1 TYR 16 HD2 TYR 16 5.935 -1.721 8.085 114 HD2 TYR 16 HD1 TYR 16 1.855 -2.957 7.549 115 HE1 TYR 16 HE2 TYR 16 5.921 -2.673 10.376 116 HE2 TYR 16 HE1 TYR 16 1.842 -3.908 9.840 117 HH TYR 16 HH TYR 16 3.124 -3.511 12.000 118 H LEU 17 H LEU 17 2.397 -2.192 3.753 119 HA LEU 17 HA LEU 17 0.622 -4.351 4.461 120 HB2 LEU 17 HB2 LEU 17 -0.713 -2.798 3.499 121 HB3 LEU 17 HB3 LEU 17 0.693 -1.939 2.884 122 HG LEU 17 HG LEU 17 0.739 -3.629 0.977 123 HD11 LEU 17 HD11 LEU 17 -2.063 -4.240 1.086 124 HD12 LEU 17 HD12 LEU 17 -1.307 -4.789 2.582 125 HD13 LEU 17 HD13 LEU 17 -0.701 -5.358 1.026 126 HD21 LEU 17 HD21 LEU 17 -1.040 -2.466 -0.261 127 HD22 LEU 17 HD22 LEU 17 -0.156 -1.322 0.749 128 HD23 LEU 17 HD23 LEU 17 -1.743 -1.901 1.255 129 H VAL 18 H VAL 18 3.103 -3.931 2.016 130 HA VAL 18 HA VAL 18 2.333 -6.252 0.424 131 HB VAL 18 HB VAL 18 4.730 -4.421 0.624 132 HG11 VAL 18 HG11 VAL 18 4.348 -6.933 -0.993 133 HG12 VAL 18 HG12 VAL 18 5.774 -6.394 -0.107 134 HG13 VAL 18 HG13 VAL 18 5.328 -5.609 -1.622 135 HG21 VAL 18 HG21 VAL 18 2.654 -4.899 -1.540 136 HG22 VAL 18 HG22 VAL 18 3.932 -3.684 -1.583 137 HG23 VAL 18 HG23 VAL 18 2.635 -3.557 -0.395 138 H ALA 19 H ALA 19 4.878 -5.581 2.850 139 HA ALA 19 HA ALA 19 6.127 -8.145 2.791 140 HB1 ALA 19 HB1 ALA 19 7.316 -6.499 3.919 141 HB2 ALA 19 HB2 ALA 19 6.585 -7.333 5.290 142 HB3 ALA 19 HB3 ALA 19 5.871 -5.838 4.685 143 H LEU 20 H LEU 20 3.317 -6.929 4.597 144 HA LEU 20 HA LEU 20 2.984 -9.232 6.295 145 HB2 LEU 20 HB2 LEU 20 1.724 -6.713 5.687 146 HB3 LEU 20 HB3 LEU 20 0.492 -7.973 5.756 147 HG LEU 20 HG LEU 20 2.580 -7.443 7.890 148 HD11 LEU 20 HD11 LEU 20 -0.400 -7.112 8.179 149 HD12 LEU 20 HD12 LEU 20 0.587 -5.799 7.535 150 HD13 LEU 20 HD13 LEU 20 0.889 -6.415 9.160 151 HD21 LEU 20 HD21 LEU 20 0.831 -9.696 7.305 152 HD22 LEU 20 HD22 LEU 20 0.488 -9.013 8.894 153 HD23 LEU 20 HD23 LEU 20 2.116 -9.567 8.506 154 H VAL 21 H VAL 21 1.409 -8.276 3.218 155 HA VAL 21 HA VAL 21 -0.059 -10.792 3.007 156 HB VAL 21 HB VAL 21 0.548 -8.572 1.024 157 HG11 VAL 21 HG11 VAL 21 -0.217 -10.350 -0.299 158 HG12 VAL 21 HG12 VAL 21 -1.716 -9.508 0.094 159 HG13 VAL 21 HG13 VAL 21 -1.270 -10.970 0.972 160 HG21 VAL 21 HG21 VAL 21 -0.674 -8.011 3.218 161 HG22 VAL 21 HG22 VAL 21 -1.988 -9.017 2.612 162 HG23 VAL 21 HG23 VAL 21 -1.500 -7.575 1.722 163 H GLY 22 H GLY 22 3.174 -10.064 2.619 164 HA2 GLY 22 HA2 GLY 22 3.596 -11.826 0.277 165 HA3 GLY 22 HA3 GLY 22 4.845 -10.893 1.104 166 H ALA 23 H ALA 23 3.665 -11.930 3.740 167 HA ALA 23 HA ALA 23 5.456 -14.196 4.025 168 HB1 ALA 23 HB1 ALA 23 4.804 -12.454 5.752 169 HB2 ALA 23 HB2 ALA 23 4.688 -14.120 6.318 170 HB3 ALA 23 HB3 ALA 23 3.230 -13.244 5.852 171 H ALA 24 H ALA 24 1.931 -13.815 3.720 172 HA ALA 24 HA ALA 24 1.393 -16.667 4.093 173 HB1 ALA 24 HB1 ALA 24 -0.032 -14.126 3.730 174 HB2 ALA 24 HB2 ALA 24 -0.513 -15.557 4.643 175 HB3 ALA 24 HB3 ALA 24 -0.817 -15.475 2.907 176 H ALA 25 H ALA 25 2.617 -14.825 1.533 177 HA ALA 25 HA ALA 25 1.307 -16.214 -0.678 178 HB1 ALA 25 HB1 ALA 25 3.908 -14.662 -0.660 179 HB2 ALA 25 HB2 ALA 25 2.329 -13.874 -0.628 180 HB3 ALA 25 HB3 ALA 25 2.790 -14.872 -2.008 181 H VAL 26 H VAL 26 3.943 -16.892 1.440 182 HA VAL 26 HA VAL 26 5.300 -18.735 -0.423 183 HB VAL 26 HB VAL 26 5.651 -17.830 2.438 184 HG11 VAL 26 HG11 VAL 26 7.377 -19.847 0.973 185 HG12 VAL 26 HG12 VAL 26 6.207 -20.272 2.223 186 HG13 VAL 26 HG13 VAL 26 7.599 -19.266 2.623 187 HG21 VAL 26 HG21 VAL 26 7.785 -17.722 0.362 188 HG22 VAL 26 HG22 VAL 26 7.369 -16.545 1.607 189 HG23 VAL 26 HG23 VAL 26 6.404 -16.649 0.133 190 H THR 27 H THR 27 2.743 -18.844 1.886 191 HA THR 27 HA THR 27 3.043 -21.734 2.439 192 HB THR 27 HB THR 27 0.601 -20.221 3.194 193 HG1 THR 27 HG1 THR 27 1.791 -19.052 4.761 194 HG21 THR 27 HG21 THR 27 2.218 -22.419 4.130 195 HG22 THR 27 HG22 THR 27 0.601 -21.938 4.642 196 HG23 THR 27 HG23 THR 27 2.017 -21.228 5.415 197 H ALA 28 H ALA 28 1.606 -19.752 0.061 198 HA ALA 28 HA ALA 28 -0.621 -21.598 -0.545 199 HB1 ALA 28 HB1 ALA 28 0.467 -19.038 -1.749 200 HB2 ALA 28 HB2 ALA 28 -0.993 -19.228 -0.777 201 HB3 ALA 28 HB3 ALA 28 -0.928 -19.891 -2.411 202 H ALA 29 H ALA 29 2.599 -20.788 -1.751 203 HA ALA 29 HA ALA 29 2.265 -22.787 -3.957 204 HB1 ALA 29 HB1 ALA 29 4.698 -21.274 -4.090 205 HB2 ALA 29 HB2 ALA 29 3.376 -20.163 -3.731 206 HB3 ALA 29 HB3 ALA 29 3.303 -21.187 -5.165 207 H ASN 30 H ASN 30 4.544 -23.865 -4.436 208 HA ASN 30 HA ASN 30 5.996 -24.497 -1.909 209 HB2 ASN 30 HB2 ASN 30 3.943 -26.055 -2.986 210 HB3 ASN 30 HB3 ASN 30 5.418 -26.857 -3.529 211 HD21 ASN 30 HD21 ASN 30 3.470 -26.083 -0.707 212 HD22 ASN 30 HD22 ASN 30 4.401 -26.959 0.409 Start of MODEL 16 1 H2 PRO 1 HT1 PRO 1 -1.704 8.025 7.353 2 H3 PRO 1 HT2 PRO 1 -3.213 7.846 8.014 3 HA PRO 1 HA PRO 1 -3.626 9.920 7.602 4 HB2 PRO 1 HB2 PRO 1 -1.874 11.461 9.028 5 HB3 PRO 1 HB3 PRO 1 -3.221 10.581 9.780 6 HG2 PRO 1 HG2 PRO 1 -0.344 9.842 9.606 7 HG3 PRO 1 HG3 PRO 1 -1.467 9.695 10.969 8 HD2 PRO 1 HD2 PRO 1 -0.806 7.595 9.428 9 HD3 PRO 1 HD3 PRO 1 -2.411 7.765 10.163 10 H ALA 2 H ALA 2 -2.737 11.987 6.595 11 HA ALA 2 HA ALA 2 -0.097 12.236 5.565 12 HB1 ALA 2 HB1 ALA 2 -0.161 10.442 4.155 13 HB2 ALA 2 HB2 ALA 2 -1.139 11.493 3.131 14 HB3 ALA 2 HB3 ALA 2 -1.921 10.345 4.217 15 H ILE 3 H ILE 3 -2.220 13.949 6.508 16 HA ILE 3 HA ILE 3 -3.219 15.382 4.109 17 HB ILE 3 HB ILE 3 -3.588 15.845 7.088 18 HG12 ILE 3 HG12 ILE 3 -5.299 14.384 5.048 19 HG13 ILE 3 HG13 ILE 3 -4.436 13.648 6.401 20 HG21 ILE 3 HG21 ILE 3 -5.789 16.863 5.854 21 HG22 ILE 3 HG22 ILE 3 -4.558 17.196 4.636 22 HG23 ILE 3 HG23 ILE 3 -4.374 17.828 6.271 23 HD11 ILE 3 HD11 ILE 3 -6.434 13.910 7.477 24 HD12 ILE 3 HD12 ILE 3 -6.967 15.190 6.386 25 HD13 ILE 3 HD13 ILE 3 -5.862 15.561 7.709 26 H TYR 4 H TYR 4 -1.895 16.653 7.176 27 HA TYR 4 HA TYR 4 -0.189 18.499 5.548 28 HB2 TYR 4 HB2 TYR 4 -2.102 18.829 7.713 29 HB3 TYR 4 HB3 TYR 4 -0.544 19.553 8.107 30 HD1 TYR 4 HD2 TYR 4 -2.991 19.313 5.281 31 HD2 TYR 4 HD1 TYR 4 -0.048 21.689 7.313 32 HE1 TYR 4 HE2 TYR 4 -3.495 21.223 3.776 33 HE2 TYR 4 HE1 TYR 4 -0.549 23.600 5.809 34 HH TYR 4 HH TYR 4 -1.721 23.561 3.121 35 H ILE 5 H ILE 5 0.295 15.801 6.765 36 HA ILE 5 HA ILE 5 2.395 16.360 8.782 37 HB ILE 5 HB ILE 5 1.219 13.836 7.604 38 HG12 ILE 5 HG12 ILE 5 -0.229 15.369 9.067 39 HG13 ILE 5 HG13 ILE 5 -0.087 13.695 9.596 40 HG21 ILE 5 HG21 ILE 5 3.255 13.058 8.372 41 HG22 ILE 5 HG22 ILE 5 2.330 12.979 9.871 42 HG23 ILE 5 HG23 ILE 5 3.411 14.341 9.571 43 HD11 ILE 5 HD11 ILE 5 1.264 14.232 11.398 44 HD12 ILE 5 HD12 ILE 5 0.294 15.703 11.299 45 HD13 ILE 5 HD13 ILE 5 1.918 15.670 10.613 46 H GLY 6 H GLY 6 2.599 17.038 5.887 47 HA2 GLY 6 HA2 GLY 6 4.974 17.153 4.981 48 HA3 GLY 6 HA3 GLY 6 5.010 15.404 5.208 49 H ALA 7 H ALA 7 2.045 15.439 4.333 50 HA ALA 7 HA ALA 7 0.843 15.228 2.299 51 HB1 ALA 7 HB1 ALA 7 1.352 16.829 0.669 52 HB2 ALA 7 HB2 ALA 7 3.089 16.689 0.937 53 HB3 ALA 7 HB3 ALA 7 2.084 17.545 2.106 54 H THR 8 H THR 8 2.921 13.293 3.154 55 HA THR 8 HA THR 8 4.328 12.416 0.736 56 HB THR 8 HB THR 8 3.975 10.597 3.048 57 HG1 THR 8 HG1 THR 8 4.435 12.014 4.504 58 HG21 THR 8 HG21 THR 8 6.066 9.979 2.449 59 HG22 THR 8 HG22 THR 8 6.630 11.648 2.381 60 HG23 THR 8 HG23 THR 8 5.791 10.944 0.999 61 H VAL 9 H VAL 9 4.022 9.961 0.169 62 HA VAL 9 HA VAL 9 1.113 9.522 -0.316 63 HB VAL 9 HB VAL 9 3.631 8.282 -1.478 64 HG11 VAL 9 HG11 VAL 9 1.356 6.984 -1.476 65 HG12 VAL 9 HG12 VAL 9 2.269 7.107 -2.980 66 HG13 VAL 9 HG13 VAL 9 0.883 8.162 -2.701 67 HG21 VAL 9 HG21 VAL 9 3.691 10.031 -2.903 68 HG22 VAL 9 HG22 VAL 9 2.490 10.821 -1.882 69 HG23 VAL 9 HG23 VAL 9 1.974 9.860 -3.268 70 H GLY 10 H GLY 10 3.833 8.238 1.445 71 HA2 GLY 10 HA2 GLY 10 3.388 6.761 3.364 72 HA3 GLY 10 HA3 GLY 10 2.080 6.031 2.432 73 HA PRO 11 HA PRO 11 6.118 4.447 0.388 74 HB2 PRO 11 HB2 PRO 11 8.471 5.060 1.650 75 HB3 PRO 11 HB3 PRO 11 7.759 6.080 0.382 76 HG2 PRO 11 HG2 PRO 11 7.680 6.411 3.342 77 HG3 PRO 11 HG3 PRO 11 7.880 7.632 2.075 78 HD2 PRO 11 HD2 PRO 11 5.525 7.202 3.361 79 HD3 PRO 11 HD3 PRO 11 5.625 7.792 1.688 80 H SER 12 H SER 12 6.742 4.815 3.909 81 HA SER 12 HA SER 12 7.671 2.126 4.298 82 HB2 SER 12 HB2 SER 12 7.240 2.722 6.700 83 HB3 SER 12 HB3 SER 12 8.144 3.959 5.832 84 HG SER 12 HG SER 12 6.590 5.253 6.370 85 H VAL 13 H VAL 13 4.518 3.596 5.202 86 HA VAL 13 HA VAL 13 3.165 1.303 6.050 87 HB VAL 13 HB VAL 13 2.251 3.710 4.447 88 HG11 VAL 13 HG11 VAL 13 0.188 2.819 4.345 89 HG12 VAL 13 HG12 VAL 13 0.188 2.589 6.095 90 HG13 VAL 13 HG13 VAL 13 0.813 1.321 5.038 91 HG21 VAL 13 HG21 VAL 13 1.961 3.091 7.399 92 HG22 VAL 13 HG22 VAL 13 1.665 4.630 6.592 93 HG23 VAL 13 HG23 VAL 13 3.311 4.013 6.738 94 H TRP 14 H TRP 14 3.435 2.530 2.695 95 HA TRP 14 HA TRP 14 1.883 0.558 1.391 96 HB2 TRP 14 HB2 TRP 14 2.641 2.501 0.225 97 HB3 TRP 14 HB3 TRP 14 4.327 2.170 0.625 98 HD1 TRP 14 HD1 TRP 14 5.663 1.002 -1.185 99 HE1 TRP 14 HE1 TRP 14 5.111 -0.412 -3.269 100 HE3 TRP 14 HE3 TRP 14 0.589 0.681 -0.714 101 HZ2 TRP 14 HZ2 TRP 14 2.820 -1.532 -4.566 102 HZ3 TRP 14 HZ3 TRP 14 -0.753 -0.564 -2.386 103 HH2 TRP 14 HH2 TRP 14 0.355 -1.669 -4.309 104 H ALA 15 H ALA 15 5.435 0.558 1.933 105 HA ALA 15 HA ALA 15 5.957 -2.025 0.869 106 HB1 ALA 15 HB1 ALA 15 7.739 -1.610 2.982 107 HB2 ALA 15 HB2 ALA 15 7.239 0.017 2.517 108 HB3 ALA 15 HB3 ALA 15 7.960 -1.062 1.321 109 H TYR 16 H TYR 16 4.487 -1.049 3.877 110 HA TYR 16 HA TYR 16 4.972 -3.479 5.372 111 HB2 TYR 16 HB2 TYR 16 3.957 -0.949 5.816 112 HB3 TYR 16 HB3 TYR 16 2.514 -1.957 5.924 113 HD1 TYR 16 HD2 TYR 16 5.940 -1.452 7.272 114 HD2 TYR 16 HD1 TYR 16 2.173 -3.458 7.755 115 HE1 TYR 16 HE2 TYR 16 6.629 -2.202 9.534 116 HE2 TYR 16 HE1 TYR 16 2.862 -4.208 10.015 117 HH TYR 16 HH TYR 16 6.002 -4.146 11.095 118 H LEU 17 H LEU 17 2.180 -2.299 3.462 119 HA LEU 17 HA LEU 17 0.560 -4.633 3.849 120 HB2 LEU 17 HB2 LEU 17 -0.869 -3.187 2.855 121 HB3 LEU 17 HB3 LEU 17 0.475 -2.087 2.591 122 HG LEU 17 HG LEU 17 0.982 -3.479 0.484 123 HD11 LEU 17 HD11 LEU 17 -1.450 -4.777 1.512 124 HD12 LEU 17 HD12 LEU 17 -0.251 -5.381 0.368 125 HD13 LEU 17 HD13 LEU 17 -1.551 -4.330 -0.191 126 HD21 LEU 17 HD21 LEU 17 0.140 -1.398 -0.059 127 HD22 LEU 17 HD22 LEU 17 -1.293 -1.600 0.948 128 HD23 LEU 17 HD23 LEU 17 -1.203 -2.391 -0.626 129 H VAL 18 H VAL 18 3.132 -3.857 1.597 130 HA VAL 18 HA VAL 18 2.608 -6.031 -0.259 131 HB VAL 18 HB VAL 18 5.119 -4.429 0.336 132 HG11 VAL 18 HG11 VAL 18 5.135 -6.629 -1.114 133 HG12 VAL 18 HG12 VAL 18 5.975 -5.190 -1.695 134 HG13 VAL 18 HG13 VAL 18 4.380 -5.596 -2.330 135 HG21 VAL 18 HG21 VAL 18 2.931 -3.938 -1.712 136 HG22 VAL 18 HG22 VAL 18 4.347 -2.927 -1.426 137 HG23 VAL 18 HG23 VAL 18 3.092 -3.054 -0.195 138 H ALA 19 H ALA 19 5.354 -5.559 2.001 139 HA ALA 19 HA ALA 19 6.371 -8.181 1.930 140 HB1 ALA 19 HB1 ALA 19 6.264 -6.500 4.433 141 HB2 ALA 19 HB2 ALA 19 7.194 -5.970 3.032 142 HB3 ALA 19 HB3 ALA 19 7.593 -7.490 3.832 143 H LEU 20 H LEU 20 3.500 -6.967 3.513 144 HA LEU 20 HA LEU 20 3.210 -9.160 5.407 145 HB2 LEU 20 HB2 LEU 20 1.655 -6.822 4.398 146 HB3 LEU 20 HB3 LEU 20 0.746 -8.108 5.193 147 HG LEU 20 HG LEU 20 3.222 -6.874 6.415 148 HD11 LEU 20 HD11 LEU 20 1.255 -5.255 5.964 149 HD12 LEU 20 HD12 LEU 20 1.872 -5.346 7.613 150 HD13 LEU 20 HD13 LEU 20 0.384 -6.188 7.180 151 HD21 LEU 20 HD21 LEU 20 2.901 -8.667 7.770 152 HD22 LEU 20 HD22 LEU 20 1.290 -8.973 7.120 153 HD23 LEU 20 HD23 LEU 20 1.513 -7.778 8.397 154 H VAL 21 H VAL 21 1.715 -8.366 2.251 155 HA VAL 21 HA VAL 21 0.078 -10.732 2.109 156 HB VAL 21 HB VAL 21 1.220 -8.852 0.016 157 HG11 VAL 21 HG11 VAL 21 0.538 -10.695 -1.257 158 HG12 VAL 21 HG12 VAL 21 -0.933 -9.722 -1.206 159 HG13 VAL 21 HG13 VAL 21 -0.759 -11.112 -0.136 160 HG21 VAL 21 HG21 VAL 21 -0.914 -7.718 0.188 161 HG22 VAL 21 HG22 VAL 21 -0.255 -7.876 1.816 162 HG23 VAL 21 HG23 VAL 21 -1.538 -8.959 1.274 163 H GLY 22 H GLY 22 3.449 -10.285 1.813 164 HA2 GLY 22 HA2 GLY 22 3.846 -12.544 -0.042 165 HA3 GLY 22 HA3 GLY 22 5.122 -11.566 0.686 166 H ALA 23 H ALA 23 3.844 -11.893 3.391 167 HA ALA 23 HA ALA 23 5.307 -14.255 4.213 168 HB1 ALA 23 HB1 ALA 23 3.328 -12.388 5.554 169 HB2 ALA 23 HB2 ALA 23 5.087 -12.328 5.656 170 HB3 ALA 23 HB3 ALA 23 4.204 -13.651 6.418 171 H ALA 24 H ALA 24 2.025 -13.655 3.203 172 HA ALA 24 HA ALA 24 1.046 -16.213 4.354 173 HB1 ALA 24 HB1 ALA 24 -1.107 -15.345 3.773 174 HB2 ALA 24 HB2 ALA 24 -0.413 -14.211 2.614 175 HB3 ALA 24 HB3 ALA 24 -0.181 -13.956 4.343 176 H ALA 25 H ALA 25 2.104 -14.833 1.317 177 HA ALA 25 HA ALA 25 0.887 -16.851 -0.396 178 HB1 ALA 25 HB1 ALA 25 1.577 -14.493 -1.004 179 HB2 ALA 25 HB2 ALA 25 2.183 -15.727 -2.109 180 HB3 ALA 25 HB3 ALA 25 3.255 -15.022 -0.897 181 H VAL 26 H VAL 26 3.568 -16.860 1.718 182 HA VAL 26 HA VAL 26 5.037 -18.931 0.162 183 HB VAL 26 HB VAL 26 5.585 -17.307 2.659 184 HG11 VAL 26 HG11 VAL 26 6.903 -19.748 1.586 185 HG12 VAL 26 HG12 VAL 26 6.822 -19.150 3.243 186 HG13 VAL 26 HG13 VAL 26 7.968 -18.441 2.106 187 HG21 VAL 26 HG21 VAL 26 7.583 -16.697 1.044 188 HG22 VAL 26 HG22 VAL 26 6.010 -15.932 0.821 189 HG23 VAL 26 HG23 VAL 26 6.485 -17.284 -0.206 190 H THR 27 H THR 27 2.527 -18.832 2.364 191 HA THR 27 HA THR 27 3.355 -21.365 3.725 192 HB THR 27 HB THR 27 1.270 -19.237 4.293 193 HG1 THR 27 HG1 THR 27 3.687 -19.138 4.782 194 HG21 THR 27 HG21 THR 27 1.348 -22.009 5.097 195 HG22 THR 27 HG22 THR 27 0.140 -20.781 5.474 196 HG23 THR 27 HG23 THR 27 1.561 -20.968 6.503 197 H ALA 28 H ALA 28 0.902 -19.916 1.632 198 HA ALA 28 HA ALA 28 -0.718 -22.398 1.627 199 HB1 ALA 28 HB1 ALA 28 -1.173 -20.029 -0.156 200 HB2 ALA 28 HB2 ALA 28 -1.413 -19.835 1.581 201 HB3 ALA 28 HB3 ALA 28 -2.354 -21.030 0.689 202 H ALA 29 H ALA 29 1.959 -22.662 0.575 203 HA ALA 29 HA ALA 29 1.782 -22.569 -2.361 204 HB1 ALA 29 HB1 ALA 29 4.064 -23.810 -1.940 205 HB2 ALA 29 HB2 ALA 29 3.791 -23.348 -0.260 206 HB3 ALA 29 HB3 ALA 29 3.917 -22.108 -1.507 207 H ASN 30 H ASN 30 0.125 -24.075 -2.920 208 HA ASN 30 HA ASN 30 0.737 -26.937 -2.246 209 HB2 ASN 30 HB2 ASN 30 -1.648 -27.290 -2.125 210 HB3 ASN 30 HB3 ASN 30 -1.294 -25.849 -1.170 211 HD21 ASN 30 HD21 ASN 30 -3.791 -26.670 -2.782 212 HD22 ASN 30 HD22 ASN 30 -4.091 -25.330 -3.780 Start of MODEL 17 1 H2 PRO 1 HT1 PRO 1 15.366 17.166 -8.130 2 H3 PRO 1 HT2 PRO 1 16.611 18.254 -8.035 3 HA PRO 1 HA PRO 1 15.388 19.502 -6.772 4 HB2 PRO 1 HB2 PRO 1 13.235 20.353 -8.222 5 HB3 PRO 1 HB3 PRO 1 14.883 20.956 -8.498 6 HG2 PRO 1 HG2 PRO 1 13.353 18.883 -9.984 7 HG3 PRO 1 HG3 PRO 1 14.413 20.163 -10.599 8 HD2 PRO 1 HD2 PRO 1 15.212 17.597 -10.382 9 HD3 PRO 1 HD3 PRO 1 16.322 18.969 -10.193 10 H ALA 2 H ALA 2 12.702 19.888 -6.338 11 HA ALA 2 HA ALA 2 11.536 17.148 -6.009 12 HB1 ALA 2 HB1 ALA 2 11.500 19.292 -3.876 13 HB2 ALA 2 HB2 ALA 2 12.817 18.125 -3.996 14 HB3 ALA 2 HB3 ALA 2 11.170 17.569 -3.692 15 H ILE 3 H ILE 3 10.364 18.247 -7.986 16 HA ILE 3 HA ILE 3 8.583 20.435 -7.673 17 HB ILE 3 HB ILE 3 8.403 17.903 -9.341 18 HG12 ILE 3 HG12 ILE 3 9.483 20.662 -9.999 19 HG13 ILE 3 HG13 ILE 3 10.478 19.254 -9.631 20 HG21 ILE 3 HG21 ILE 3 6.242 19.108 -9.205 21 HG22 ILE 3 HG22 ILE 3 6.945 19.227 -10.818 22 HG23 ILE 3 HG23 ILE 3 7.048 20.593 -9.708 23 HD11 ILE 3 HD11 ILE 3 10.325 18.569 -11.765 24 HD12 ILE 3 HD12 ILE 3 9.358 19.995 -12.145 25 HD13 ILE 3 HD13 ILE 3 8.567 18.505 -11.628 26 H TYR 4 H TYR 4 6.982 17.382 -8.273 27 HA TYR 4 HA TYR 4 5.288 17.854 -5.858 28 HB2 TYR 4 HB2 TYR 4 4.811 17.365 -8.617 29 HB3 TYR 4 HB3 TYR 4 4.204 15.972 -7.727 30 HD1 TYR 4 HD2 TYR 4 3.586 17.436 -5.122 31 HD2 TYR 4 HD1 TYR 4 2.705 18.355 -9.223 32 HE1 TYR 4 HE2 TYR 4 1.601 18.744 -4.402 33 HE2 TYR 4 HE1 TYR 4 0.719 19.662 -8.506 34 HH TYR 4 HH TYR 4 -0.848 19.459 -6.121 35 H ILE 5 H ILE 5 7.873 16.384 -6.159 36 HA ILE 5 HA ILE 5 7.146 13.570 -5.614 37 HB ILE 5 HB ILE 5 9.760 15.082 -5.763 38 HG12 ILE 5 HG12 ILE 5 8.322 14.823 -7.867 39 HG13 ILE 5 HG13 ILE 5 9.968 14.201 -7.976 40 HG21 ILE 5 HG21 ILE 5 9.092 12.348 -4.929 41 HG22 ILE 5 HG22 ILE 5 10.582 13.262 -4.693 42 HG23 ILE 5 HG23 ILE 5 10.301 12.410 -6.211 43 HD11 ILE 5 HD11 ILE 5 8.291 12.606 -8.902 44 HD12 ILE 5 HD12 ILE 5 7.530 12.523 -7.314 45 HD13 ILE 5 HD13 ILE 5 9.176 11.930 -7.534 46 H GLY 6 H GLY 6 6.513 15.849 -3.785 47 HA2 GLY 6 HA2 GLY 6 7.916 14.822 -1.352 48 HA3 GLY 6 HA3 GLY 6 7.477 16.521 -1.537 49 H ALA 7 H ALA 7 4.946 15.230 -2.954 50 HA ALA 7 HA ALA 7 3.329 15.245 -0.470 51 HB1 ALA 7 HB1 ALA 7 2.469 15.035 -3.370 52 HB2 ALA 7 HB2 ALA 7 2.836 16.572 -2.585 53 HB3 ALA 7 HB3 ALA 7 1.496 15.581 -2.003 54 H THR 8 H THR 8 5.099 12.909 -1.317 55 HA THR 8 HA THR 8 3.786 10.708 -2.379 56 HB THR 8 HB THR 8 5.286 10.412 0.203 57 HG1 THR 8 HG1 THR 8 6.501 11.171 -2.237 58 HG21 THR 8 HG21 THR 8 6.022 8.446 -0.734 59 HG22 THR 8 HG22 THR 8 6.034 9.108 -2.369 60 HG23 THR 8 HG23 THR 8 4.511 8.619 -1.627 61 H VAL 9 H VAL 9 2.364 9.097 -1.514 62 HA VAL 9 HA VAL 9 0.464 10.097 0.492 63 HB VAL 9 HB VAL 9 0.619 7.424 -0.934 64 HG11 VAL 9 HG11 VAL 9 -2.025 8.427 -0.579 65 HG12 VAL 9 HG12 VAL 9 -1.193 8.569 0.969 66 HG13 VAL 9 HG13 VAL 9 -1.298 7.004 0.164 67 HG21 VAL 9 HG21 VAL 9 -0.530 10.090 -1.810 68 HG22 VAL 9 HG22 VAL 9 -0.947 8.556 -2.577 69 HG23 VAL 9 HG23 VAL 9 0.715 9.144 -2.625 70 H GLY 10 H GLY 10 2.099 6.920 0.202 71 HA2 GLY 10 HA2 GLY 10 3.055 7.080 2.969 72 HA3 GLY 10 HA3 GLY 10 1.756 5.912 2.720 73 HA PRO 11 HA PRO 11 5.690 4.526 0.290 74 HB2 PRO 11 HB2 PRO 11 8.023 5.294 1.496 75 HB3 PRO 11 HB3 PRO 11 7.241 6.243 0.217 76 HG2 PRO 11 HG2 PRO 11 7.221 6.659 3.162 77 HG3 PRO 11 HG3 PRO 11 7.290 7.849 1.852 78 HD2 PRO 11 HD2 PRO 11 5.019 7.263 3.258 79 HD3 PRO 11 HD3 PRO 11 5.020 7.884 1.593 80 H SER 12 H SER 12 6.411 5.034 3.773 81 HA SER 12 HA SER 12 7.501 2.462 4.291 82 HB2 SER 12 HB2 SER 12 6.578 4.813 5.704 83 HB3 SER 12 HB3 SER 12 6.103 3.361 6.580 84 HG SER 12 HG SER 12 8.256 2.694 6.536 85 H VAL 13 H VAL 13 4.181 3.595 5.056 86 HA VAL 13 HA VAL 13 3.025 1.193 5.866 87 HB VAL 13 HB VAL 13 2.020 3.546 4.256 88 HG11 VAL 13 HG11 VAL 13 0.587 1.660 3.663 89 HG12 VAL 13 HG12 VAL 13 -0.281 2.722 4.771 90 HG13 VAL 13 HG13 VAL 13 0.422 1.217 5.362 91 HG21 VAL 13 HG21 VAL 13 2.028 4.446 6.327 92 HG22 VAL 13 HG22 VAL 13 2.431 2.892 7.058 93 HG23 VAL 13 HG23 VAL 13 0.745 3.312 6.750 94 H TRP 14 H TRP 14 3.505 2.341 2.520 95 HA TRP 14 HA TRP 14 2.145 0.275 1.138 96 HB2 TRP 14 HB2 TRP 14 2.888 2.180 -0.057 97 HB3 TRP 14 HB3 TRP 14 4.529 2.040 0.572 98 HD1 TRP 14 HD1 TRP 14 6.198 0.984 -1.014 99 HE1 TRP 14 HE1 TRP 14 6.075 -0.556 -3.077 100 HE3 TRP 14 HE3 TRP 14 1.174 0.087 -1.144 101 HZ2 TRP 14 HZ2 TRP 14 4.104 -1.981 -4.585 102 HZ3 TRP 14 HZ3 TRP 14 0.200 -1.363 -2.903 103 HH2 TRP 14 HH2 TRP 14 1.657 -2.397 -4.621 104 H ALA 15 H ALA 15 5.638 0.445 1.962 105 HA ALA 15 HA ALA 15 6.307 -2.175 1.045 106 HB1 ALA 15 HB1 ALA 15 8.238 -1.062 1.478 107 HB2 ALA 15 HB2 ALA 15 8.018 -1.572 3.153 108 HB3 ALA 15 HB3 ALA 15 7.445 0.013 2.629 109 H TYR 16 H TYR 16 4.701 -1.080 3.945 110 HA TYR 16 HA TYR 16 5.247 -3.441 5.553 111 HB2 TYR 16 HB2 TYR 16 4.474 -0.969 6.117 112 HB3 TYR 16 HB3 TYR 16 2.862 -1.654 5.912 113 HD1 TYR 16 HD2 TYR 16 6.036 -3.070 7.318 114 HD2 TYR 16 HD1 TYR 16 1.928 -2.033 8.022 115 HE1 TYR 16 HE2 TYR 16 6.171 -4.073 9.581 116 HE2 TYR 16 HE1 TYR 16 2.063 -3.036 10.287 117 HH TYR 16 HH TYR 16 4.793 -3.635 11.869 118 H LEU 17 H LEU 17 2.631 -2.424 3.369 119 HA LEU 17 HA LEU 17 0.986 -4.766 3.982 120 HB2 LEU 17 HB2 LEU 17 -0.474 -3.182 3.270 121 HB3 LEU 17 HB3 LEU 17 0.828 -2.211 2.592 122 HG LEU 17 HG LEU 17 0.819 -3.669 0.573 123 HD11 LEU 17 HD11 LEU 17 -0.443 -5.555 0.421 124 HD12 LEU 17 HD12 LEU 17 -1.829 -4.799 1.205 125 HD13 LEU 17 HD13 LEU 17 -0.514 -5.454 2.180 126 HD21 LEU 17 HD21 LEU 17 -2.024 -2.807 0.900 127 HD22 LEU 17 HD22 LEU 17 -0.901 -2.485 -0.420 128 HD23 LEU 17 HD23 LEU 17 -0.774 -1.578 1.088 129 H VAL 18 H VAL 18 3.389 -3.844 1.606 130 HA VAL 18 HA VAL 18 2.811 -5.978 -0.284 131 HB VAL 18 HB VAL 18 5.326 -4.342 0.182 132 HG11 VAL 18 HG11 VAL 18 6.107 -5.640 -1.496 133 HG12 VAL 18 HG12 VAL 18 4.952 -4.812 -2.540 134 HG13 VAL 18 HG13 VAL 18 4.516 -6.344 -1.783 135 HG21 VAL 18 HG21 VAL 18 3.212 -3.688 -1.850 136 HG22 VAL 18 HG22 VAL 18 4.392 -2.621 -1.090 137 HG23 VAL 18 HG23 VAL 18 2.987 -3.174 -0.179 138 H ALA 19 H ALA 19 4.915 -5.603 2.536 139 HA ALA 19 HA ALA 19 6.315 -8.145 2.061 140 HB1 ALA 19 HB1 ALA 19 6.486 -7.012 4.738 141 HB2 ALA 19 HB2 ALA 19 6.700 -5.767 3.508 142 HB3 ALA 19 HB3 ALA 19 7.753 -7.183 3.524 143 H LEU 20 H LEU 20 3.615 -6.953 4.010 144 HA LEU 20 HA LEU 20 3.359 -9.256 5.728 145 HB2 LEU 20 HB2 LEU 20 2.072 -6.742 5.170 146 HB3 LEU 20 HB3 LEU 20 0.845 -8.003 5.277 147 HG LEU 20 HG LEU 20 2.938 -7.302 7.350 148 HD11 LEU 20 HD11 LEU 20 -0.026 -7.529 7.783 149 HD12 LEU 20 HD12 LEU 20 0.636 -6.067 7.049 150 HD13 LEU 20 HD13 LEU 20 1.155 -6.558 8.663 151 HD21 LEU 20 HD21 LEU 20 2.906 -9.576 7.683 152 HD22 LEU 20 HD22 LEU 20 1.343 -9.773 6.892 153 HD23 LEU 20 HD23 LEU 20 1.422 -9.183 8.552 154 H VAL 21 H VAL 21 1.913 -8.375 2.590 155 HA VAL 21 HA VAL 21 0.101 -10.587 2.394 156 HB VAL 21 HB VAL 21 1.501 -8.749 0.447 157 HG11 VAL 21 HG11 VAL 21 1.102 -10.855 -0.739 158 HG12 VAL 21 HG12 VAL 21 -0.044 -9.633 -1.292 159 HG13 VAL 21 HG13 VAL 21 -0.565 -10.884 -0.165 160 HG21 VAL 21 HG21 VAL 21 -1.455 -8.979 0.960 161 HG22 VAL 21 HG22 VAL 21 -0.529 -7.578 0.419 162 HG23 VAL 21 HG23 VAL 21 -0.432 -8.106 2.099 163 H GLY 22 H GLY 22 3.399 -10.138 1.058 164 HA2 GLY 22 HA2 GLY 22 3.715 -12.570 -0.267 165 HA3 GLY 22 HA3 GLY 22 5.040 -11.753 0.564 166 H ALA 23 H ALA 23 4.038 -11.935 3.218 167 HA ALA 23 HA ALA 23 5.041 -14.387 4.127 168 HB1 ALA 23 HB1 ALA 23 2.976 -13.607 5.887 169 HB2 ALA 23 HB2 ALA 23 3.530 -12.122 5.114 170 HB3 ALA 23 HB3 ALA 23 4.675 -13.145 5.980 171 H ALA 24 H ALA 24 1.629 -13.563 3.424 172 HA ALA 24 HA ALA 24 0.548 -16.135 4.104 173 HB1 ALA 24 HB1 ALA 24 -0.504 -14.158 2.066 174 HB2 ALA 24 HB2 ALA 24 -0.602 -13.870 3.803 175 HB3 ALA 24 HB3 ALA 24 -1.438 -15.249 3.089 176 H ALA 25 H ALA 25 1.695 -14.748 1.021 177 HA ALA 25 HA ALA 25 0.949 -17.004 -0.614 178 HB1 ALA 25 HB1 ALA 25 2.698 -14.581 -0.792 179 HB2 ALA 25 HB2 ALA 25 1.328 -15.046 -1.802 180 HB3 ALA 25 HB3 ALA 25 2.892 -15.833 -2.020 181 H VAL 26 H VAL 26 3.332 -16.673 1.773 182 HA VAL 26 HA VAL 26 5.219 -18.585 0.496 183 HB VAL 26 HB VAL 26 5.237 -17.006 3.089 184 HG11 VAL 26 HG11 VAL 26 6.589 -18.983 3.390 185 HG12 VAL 26 HG12 VAL 26 7.685 -17.635 3.086 186 HG13 VAL 26 HG13 VAL 26 7.324 -18.786 1.799 187 HG21 VAL 26 HG21 VAL 26 7.205 -16.506 0.932 188 HG22 VAL 26 HG22 VAL 26 6.338 -15.357 1.951 189 HG23 VAL 26 HG23 VAL 26 5.541 -16.065 0.547 190 H THR 27 H THR 27 2.401 -18.794 2.241 191 HA THR 27 HA THR 27 3.290 -21.161 3.839 192 HB THR 27 HB THR 27 0.582 -19.847 3.943 193 HG1 THR 27 HG1 THR 27 1.525 -18.394 5.467 194 HG21 THR 27 HG21 THR 27 0.463 -21.428 5.557 195 HG22 THR 27 HG22 THR 27 1.500 -20.354 6.496 196 HG23 THR 27 HG23 THR 27 2.210 -21.672 5.563 197 H ALA 28 H ALA 28 1.264 -20.170 1.149 198 HA ALA 28 HA ALA 28 -0.369 -22.550 1.001 199 HB1 ALA 28 HB1 ALA 28 -0.075 -20.047 -0.275 200 HB2 ALA 28 HB2 ALA 28 -1.340 -21.241 -0.563 201 HB3 ALA 28 HB3 ALA 28 0.129 -21.256 -1.541 202 H ALA 29 H ALA 29 2.849 -21.716 -0.167 203 HA ALA 29 HA ALA 29 3.025 -24.053 -1.946 204 HB1 ALA 29 HB1 ALA 29 4.407 -21.574 -1.413 205 HB2 ALA 29 HB2 ALA 29 4.540 -22.625 -2.823 206 HB3 ALA 29 HB3 ALA 29 5.563 -22.907 -1.414 207 H ASN 30 H ASN 30 5.182 -25.404 -1.567 208 HA ASN 30 HA ASN 30 5.129 -26.323 1.284 209 HB2 ASN 30 HB2 ASN 30 5.719 -27.661 -1.369 210 HB3 ASN 30 HB3 ASN 30 6.016 -28.448 0.180 211 HD21 ASN 30 HD21 ASN 30 4.212 -29.849 -1.167 212 HD22 ASN 30 HD22 ASN 30 2.616 -29.517 -0.696 Start of MODEL 18 1 H2 PRO 1 HT1 PRO 1 -0.841 13.536 13.705 2 H3 PRO 1 HT2 PRO 1 -0.207 14.475 14.913 3 HA PRO 1 HA PRO 1 0.561 15.832 13.424 4 HB2 PRO 1 HB2 PRO 1 2.400 14.501 11.902 5 HB3 PRO 1 HB3 PRO 1 2.709 14.987 13.582 6 HG2 PRO 1 HG2 PRO 1 1.892 12.339 12.500 7 HG3 PRO 1 HG3 PRO 1 3.071 12.729 13.765 8 HD2 PRO 1 HD2 PRO 1 0.590 11.846 14.326 9 HD3 PRO 1 HD3 PRO 1 1.464 12.975 15.379 10 H ALA 2 H ALA 2 1.054 15.977 10.850 11 HA ALA 2 HA ALA 2 -0.700 14.240 9.237 12 HB1 ALA 2 HB1 ALA 2 -2.504 15.575 9.524 13 HB2 ALA 2 HB2 ALA 2 -1.622 16.844 8.674 14 HB3 ALA 2 HB3 ALA 2 -1.547 16.745 10.434 15 H ILE 3 H ILE 3 2.104 14.782 9.098 16 HA ILE 3 HA ILE 3 2.479 16.744 6.911 17 HB ILE 3 HB ILE 3 4.291 14.981 8.581 18 HG12 ILE 3 HG12 ILE 3 3.345 16.929 9.734 19 HG13 ILE 3 HG13 ILE 3 5.062 17.196 9.429 20 HG21 ILE 3 HG21 ILE 3 6.170 16.159 7.490 21 HG22 ILE 3 HG22 ILE 3 5.033 16.972 6.416 22 HG23 ILE 3 HG23 ILE 3 5.239 15.224 6.320 23 HD11 ILE 3 HD11 ILE 3 4.474 19.127 8.423 24 HD12 ILE 3 HD12 ILE 3 2.766 18.690 8.443 25 HD13 ILE 3 HD13 ILE 3 3.799 18.143 7.123 26 H TYR 4 H TYR 4 3.573 13.359 7.401 27 HA TYR 4 HA TYR 4 2.893 12.836 4.534 28 HB2 TYR 4 HB2 TYR 4 5.411 12.816 5.986 29 HB3 TYR 4 HB3 TYR 4 5.094 11.266 5.213 30 HD1 TYR 4 HD2 TYR 4 4.516 14.874 4.357 31 HD2 TYR 4 HD1 TYR 4 6.038 11.060 3.102 32 HE1 TYR 4 HE2 TYR 4 5.138 15.846 2.159 33 HE2 TYR 4 HE1 TYR 4 6.660 12.030 0.903 34 HH TYR 4 HH TYR 4 7.198 14.834 0.219 35 H ILE 5 H ILE 5 1.674 12.223 7.206 36 HA ILE 5 HA ILE 5 1.672 9.235 7.088 37 HB ILE 5 HB ILE 5 0.820 11.164 9.257 38 HG12 ILE 5 HG12 ILE 5 3.366 9.605 8.772 39 HG13 ILE 5 HG13 ILE 5 3.191 11.339 9.038 40 HG21 ILE 5 HG21 ILE 5 0.219 8.438 8.864 41 HG22 ILE 5 HG22 ILE 5 -0.024 9.376 10.337 42 HG23 ILE 5 HG23 ILE 5 1.474 8.474 10.103 43 HD11 ILE 5 HD11 ILE 5 2.014 10.162 11.289 44 HD12 ILE 5 HD12 ILE 5 3.594 10.944 11.222 45 HD13 ILE 5 HD13 ILE 5 3.463 9.200 10.991 46 H GLY 6 H GLY 6 0.136 11.192 5.445 47 HA2 GLY 6 HA2 GLY 6 -2.269 9.860 5.061 48 HA3 GLY 6 HA3 GLY 6 -2.636 11.067 6.296 49 H ALA 7 H ALA 7 -0.322 11.458 3.649 50 HA ALA 7 HA ALA 7 -2.159 13.115 2.065 51 HB1 ALA 7 HB1 ALA 7 -1.679 15.035 3.157 52 HB2 ALA 7 HB2 ALA 7 0.006 14.850 2.667 53 HB3 ALA 7 HB3 ALA 7 -0.542 14.185 4.205 54 H THR 8 H THR 8 -0.106 10.817 1.898 55 HA THR 8 HA THR 8 1.322 11.882 -0.503 56 HB THR 8 HB THR 8 2.837 11.979 1.424 57 HG1 THR 8 HG1 THR 8 4.340 11.227 0.195 58 HG21 THR 8 HG21 THR 8 3.440 9.775 2.535 59 HG22 THR 8 HG22 THR 8 2.017 9.087 1.752 60 HG23 THR 8 HG23 THR 8 1.834 10.397 2.919 61 H VAL 9 H VAL 9 2.540 9.754 -1.471 62 HA VAL 9 HA VAL 9 0.462 7.990 -2.378 63 HB VAL 9 HB VAL 9 3.487 7.712 -2.408 64 HG11 VAL 9 HG11 VAL 9 2.596 5.618 -3.060 65 HG12 VAL 9 HG12 VAL 9 2.880 6.457 -4.585 66 HG13 VAL 9 HG13 VAL 9 1.249 6.363 -3.919 67 HG21 VAL 9 HG21 VAL 9 2.946 9.803 -3.420 68 HG22 VAL 9 HG22 VAL 9 1.517 9.138 -4.208 69 HG23 VAL 9 HG23 VAL 9 3.125 8.675 -4.763 70 H GLY 10 H GLY 10 2.679 7.862 0.335 71 HA2 GLY 10 HA2 GLY 10 2.440 6.440 2.238 72 HA3 GLY 10 HA3 GLY 10 1.300 5.451 1.325 73 HA PRO 11 HA PRO 11 5.599 4.089 -0.238 74 HB2 PRO 11 HB2 PRO 11 7.799 5.237 0.915 75 HB3 PRO 11 HB3 PRO 11 6.999 5.910 -0.519 76 HG2 PRO 11 HG2 PRO 11 6.814 6.759 2.323 77 HG3 PRO 11 HG3 PRO 11 6.831 7.738 0.848 78 HD2 PRO 11 HD2 PRO 11 4.565 7.150 2.272 79 HD3 PRO 11 HD3 PRO 11 4.579 7.534 0.536 80 H SER 12 H SER 12 5.702 5.102 3.190 81 HA SER 12 HA SER 12 7.156 2.790 4.127 82 HB2 SER 12 HB2 SER 12 7.222 4.582 5.593 83 HB3 SER 12 HB3 SER 12 5.563 5.062 5.240 84 HG SER 12 HG SER 12 6.343 3.777 7.321 85 H VAL 13 H VAL 13 3.699 3.660 4.564 86 HA VAL 13 HA VAL 13 2.797 1.211 5.621 87 HB VAL 13 HB VAL 13 1.469 3.207 3.758 88 HG11 VAL 13 HG11 VAL 13 0.432 0.838 5.280 89 HG12 VAL 13 HG12 VAL 13 -0.015 1.415 3.675 90 HG13 VAL 13 HG13 VAL 13 -0.596 2.260 5.109 91 HG21 VAL 13 HG21 VAL 13 2.123 4.362 5.712 92 HG22 VAL 13 HG22 VAL 13 1.805 2.970 6.748 93 HG23 VAL 13 HG23 VAL 13 0.462 3.882 6.058 94 H TRP 14 H TRP 14 3.528 2.083 2.282 95 HA TRP 14 HA TRP 14 2.223 -0.112 0.976 96 HB2 TRP 14 HB2 TRP 14 2.929 1.760 -0.306 97 HB3 TRP 14 HB3 TRP 14 4.558 1.707 0.369 98 HD1 TRP 14 HD1 TRP 14 6.278 0.688 -1.180 99 HE1 TRP 14 HE1 TRP 14 6.256 -1.016 -3.115 100 HE3 TRP 14 HE3 TRP 14 1.329 -0.573 -1.191 101 HZ2 TRP 14 HZ2 TRP 14 4.387 -2.692 -4.484 102 HZ3 TRP 14 HZ3 TRP 14 0.456 -2.224 -2.819 103 HH2 TRP 14 HH2 TRP 14 1.977 -3.284 -4.465 104 H ALA 15 H ALA 15 5.470 0.256 2.391 105 HA ALA 15 HA ALA 15 6.479 -2.300 1.493 106 HB1 ALA 15 HB1 ALA 15 7.762 -0.247 2.256 107 HB2 ALA 15 HB2 ALA 15 8.307 -1.760 2.979 108 HB3 ALA 15 HB3 ALA 15 7.293 -0.654 3.906 109 H TYR 16 H TYR 16 4.603 -1.237 4.279 110 HA TYR 16 HA TYR 16 5.005 -3.625 5.876 111 HB2 TYR 16 HB2 TYR 16 4.092 -1.126 6.316 112 HB3 TYR 16 HB3 TYR 16 2.548 -1.952 6.115 113 HD1 TYR 16 HD2 TYR 16 5.820 -2.269 7.915 114 HD2 TYR 16 HD1 TYR 16 1.609 -3.117 7.919 115 HE1 TYR 16 HE2 TYR 16 6.006 -3.178 10.215 116 HE2 TYR 16 HE1 TYR 16 1.796 -4.027 10.219 117 HH TYR 16 HH TYR 16 3.695 -3.497 12.255 118 H LEU 17 H LEU 17 2.623 -2.604 3.454 119 HA LEU 17 HA LEU 17 0.865 -4.886 3.895 120 HB2 LEU 17 HB2 LEU 17 -0.445 -3.368 2.847 121 HB3 LEU 17 HB3 LEU 17 0.963 -2.397 2.431 122 HG LEU 17 HG LEU 17 1.349 -3.936 0.471 123 HD11 LEU 17 HD11 LEU 17 0.196 -5.865 0.381 124 HD12 LEU 17 HD12 LEU 17 -1.297 -4.943 0.203 125 HD13 LEU 17 HD13 LEU 17 -0.729 -5.400 1.809 126 HD21 LEU 17 HD21 LEU 17 -0.381 -2.919 -0.903 127 HD22 LEU 17 HD22 LEU 17 0.129 -1.744 0.310 128 HD23 LEU 17 HD23 LEU 17 -1.386 -2.623 0.516 129 H VAL 18 H VAL 18 3.582 -4.140 1.800 130 HA VAL 18 HA VAL 18 3.214 -6.410 0.014 131 HB VAL 18 HB VAL 18 5.492 -4.517 0.660 132 HG11 VAL 18 HG11 VAL 18 6.181 -6.839 -0.218 133 HG12 VAL 18 HG12 VAL 18 6.748 -5.439 -1.129 134 HG13 VAL 18 HG13 VAL 18 5.374 -6.378 -1.717 135 HG21 VAL 18 HG21 VAL 18 4.880 -3.476 -1.443 136 HG22 VAL 18 HG22 VAL 18 3.413 -3.644 -0.476 137 HG23 VAL 18 HG23 VAL 18 3.731 -4.768 -1.798 138 H ALA 19 H ALA 19 5.259 -5.747 2.866 139 HA ALA 19 HA ALA 19 6.685 -8.242 2.838 140 HB1 ALA 19 HB1 ALA 19 7.518 -7.457 4.881 141 HB2 ALA 19 HB2 ALA 19 5.976 -6.736 5.343 142 HB3 ALA 19 HB3 ALA 19 6.985 -5.955 4.124 143 H LEU 20 H LEU 20 3.807 -7.187 4.700 144 HA LEU 20 HA LEU 20 3.316 -9.652 6.042 145 HB2 LEU 20 HB2 LEU 20 2.054 -7.092 5.533 146 HB3 LEU 20 HB3 LEU 20 0.855 -8.384 5.482 147 HG LEU 20 HG LEU 20 2.809 -7.830 7.733 148 HD11 LEU 20 HD11 LEU 20 -0.179 -7.514 7.396 149 HD12 LEU 20 HD12 LEU 20 0.997 -6.287 7.862 150 HD13 LEU 20 HD13 LEU 20 0.584 -7.582 8.985 151 HD21 LEU 20 HD21 LEU 20 0.947 -9.686 8.609 152 HD22 LEU 20 HD22 LEU 20 2.604 -10.054 8.129 153 HD23 LEU 20 HD23 LEU 20 1.290 -10.221 6.964 154 H VAL 21 H VAL 21 1.763 -8.374 3.070 155 HA VAL 21 HA VAL 21 0.317 -10.763 2.438 156 HB VAL 21 HB VAL 21 1.356 -8.424 0.813 157 HG11 VAL 21 HG11 VAL 21 -0.227 -9.119 -0.933 158 HG12 VAL 21 HG12 VAL 21 -0.668 -10.538 0.016 159 HG13 VAL 21 HG13 VAL 21 0.961 -10.390 -0.643 160 HG21 VAL 21 HG21 VAL 21 -1.495 -9.018 1.595 161 HG22 VAL 21 HG22 VAL 21 -0.772 -7.469 1.159 162 HG23 VAL 21 HG23 VAL 21 -0.408 -8.204 2.720 163 H GLY 22 H GLY 22 3.662 -9.923 2.087 164 HA2 GLY 22 HA2 GLY 22 4.198 -11.855 -0.049 165 HA3 GLY 22 HA3 GLY 22 5.410 -10.936 0.847 166 H ALA 23 H ALA 23 4.300 -11.770 3.463 167 HA ALA 23 HA ALA 23 5.813 -14.240 3.768 168 HB1 ALA 23 HB1 ALA 23 5.905 -12.789 5.600 169 HB2 ALA 23 HB2 ALA 23 4.676 -13.935 6.134 170 HB3 ALA 23 HB3 ALA 23 4.196 -12.371 5.478 171 H ALA 24 H ALA 24 2.385 -13.373 3.571 172 HA ALA 24 HA ALA 24 1.486 -16.093 4.251 173 HB1 ALA 24 HB1 ALA 24 0.460 -13.488 4.291 174 HB2 ALA 24 HB2 ALA 24 -0.438 -14.963 4.645 175 HB3 ALA 24 HB3 ALA 24 -0.449 -14.295 3.012 176 H ALA 25 H ALA 25 2.547 -14.449 1.436 177 HA ALA 25 HA ALA 25 0.898 -15.826 -0.523 178 HB1 ALA 25 HB1 ALA 25 2.937 -13.807 -0.372 179 HB2 ALA 25 HB2 ALA 25 1.842 -14.154 -1.710 180 HB3 ALA 25 HB3 ALA 25 3.395 -14.983 -1.604 181 H VAL 26 H VAL 26 3.309 -16.940 1.528 182 HA VAL 26 HA VAL 26 4.276 -18.992 -0.424 183 HB VAL 26 HB VAL 26 5.296 -17.876 2.197 184 HG11 VAL 26 HG11 VAL 26 5.993 -20.046 2.527 185 HG12 VAL 26 HG12 VAL 26 7.286 -19.518 1.451 186 HG13 VAL 26 HG13 VAL 26 5.925 -20.440 0.809 187 HG21 VAL 26 HG21 VAL 26 6.688 -18.105 -0.479 188 HG22 VAL 26 HG22 VAL 26 7.114 -17.069 0.883 189 HG23 VAL 26 HG23 VAL 26 5.671 -16.724 -0.070 190 H THR 27 H THR 27 2.062 -18.556 2.100 191 HA THR 27 HA THR 27 2.147 -21.466 2.826 192 HB THR 27 HB THR 27 2.519 -19.773 4.626 193 HG1 THR 27 HG1 THR 27 -0.025 -20.966 4.918 194 HG21 THR 27 HG21 THR 27 0.433 -18.438 3.266 195 HG22 THR 27 HG22 THR 27 1.264 -17.913 4.731 196 HG23 THR 27 HG23 THR 27 -0.211 -18.874 4.849 197 H ALA 28 H ALA 28 0.261 -18.925 1.383 198 HA ALA 28 HA ALA 28 -2.302 -20.357 1.603 199 HB1 ALA 28 HB1 ALA 28 -2.045 -17.875 1.662 200 HB2 ALA 28 HB2 ALA 28 -3.113 -18.402 0.359 201 HB3 ALA 28 HB3 ALA 28 -1.454 -17.922 0.001 202 H ALA 29 H ALA 29 0.420 -20.454 -0.468 203 HA ALA 29 HA ALA 29 -1.173 -21.439 -2.789 204 HB1 ALA 29 HB1 ALA 29 0.943 -19.741 -2.589 205 HB2 ALA 29 HB2 ALA 29 0.598 -20.687 -4.037 206 HB3 ALA 29 HB3 ALA 29 1.789 -21.263 -2.870 207 H ASN 30 H ASN 30 1.026 -22.513 -0.272 208 HA ASN 30 HA ASN 30 1.945 -24.654 0.182 209 HB2 ASN 30 HB2 ASN 30 -0.900 -24.847 -0.654 210 HB3 ASN 30 HB3 ASN 30 -0.015 -26.371 -0.591 211 HD21 ASN 30 HD21 ASN 30 -1.872 -24.345 1.307 212 HD22 ASN 30 HD22 ASN 30 -1.283 -24.786 2.837 Start of MODEL 19 1 H2 PRO 1 HT1 PRO 1 6.062 11.306 18.226 2 H3 PRO 1 HT2 PRO 1 6.385 11.036 19.829 3 HA PRO 1 HA PRO 1 4.465 10.078 20.035 4 HB2 PRO 1 HB2 PRO 1 2.512 11.920 19.521 5 HB3 PRO 1 HB3 PRO 1 3.491 11.943 21.001 6 HG2 PRO 1 HG2 PRO 1 3.792 13.546 18.512 7 HG3 PRO 1 HG3 PRO 1 3.944 14.049 20.205 8 HD2 PRO 1 HD2 PRO 1 6.087 13.567 18.656 9 HD3 PRO 1 HD3 PRO 1 6.081 13.238 20.398 10 H ALA 2 H ALA 2 2.951 8.883 18.800 11 HA ALA 2 HA ALA 2 2.677 9.614 15.910 12 HB1 ALA 2 HB1 ALA 2 4.505 7.891 16.523 13 HB2 ALA 2 HB2 ALA 2 3.356 7.427 15.268 14 HB3 ALA 2 HB3 ALA 2 3.172 6.803 16.909 15 H ILE 3 H ILE 3 0.708 10.057 17.900 16 HA ILE 3 HA ILE 3 -1.156 7.883 18.186 17 HB ILE 3 HB ILE 3 -1.565 10.890 18.221 18 HG12 ILE 3 HG12 ILE 3 -1.234 9.267 20.704 19 HG13 ILE 3 HG13 ILE 3 0.219 9.588 19.756 20 HG21 ILE 3 HG21 ILE 3 -3.232 8.533 18.978 21 HG22 ILE 3 HG22 ILE 3 -3.727 10.100 18.337 22 HG23 ILE 3 HG23 ILE 3 -3.290 9.941 20.040 23 HD11 ILE 3 HD11 ILE 3 -0.982 11.329 21.588 24 HD12 ILE 3 HD12 ILE 3 -1.424 11.975 20.007 25 HD13 ILE 3 HD13 ILE 3 0.274 11.741 20.420 26 H TYR 4 H TYR 4 -0.859 10.525 15.811 27 HA TYR 4 HA TYR 4 -3.080 9.275 14.243 28 HB2 TYR 4 HB2 TYR 4 -2.295 11.967 14.987 29 HB3 TYR 4 HB3 TYR 4 -2.458 11.816 13.238 30 HD1 TYR 4 HD2 TYR 4 -4.214 11.037 16.443 31 HD2 TYR 4 HD1 TYR 4 -4.580 11.802 12.235 32 HE1 TYR 4 HE2 TYR 4 -6.686 11.081 16.668 33 HE2 TYR 4 HE1 TYR 4 -7.052 11.847 12.455 34 HH TYR 4 HH TYR 4 -8.739 10.629 14.451 35 H ILE 5 H ILE 5 -0.126 8.696 14.361 36 HA ILE 5 HA ILE 5 0.661 9.265 11.541 37 HB ILE 5 HB ILE 5 2.192 8.215 13.928 38 HG12 ILE 5 HG12 ILE 5 1.247 10.602 14.020 39 HG13 ILE 5 HG13 ILE 5 2.984 10.438 14.257 40 HG21 ILE 5 HG21 ILE 5 3.390 7.518 12.025 41 HG22 ILE 5 HG22 ILE 5 4.142 9.061 12.432 42 HG23 ILE 5 HG23 ILE 5 2.969 8.970 11.117 43 HD11 ILE 5 HD11 ILE 5 2.189 10.726 11.436 44 HD12 ILE 5 HD12 ILE 5 3.470 11.545 12.333 45 HD13 ILE 5 HD13 ILE 5 1.808 12.129 12.435 46 H GLY 6 H GLY 6 -1.259 7.187 12.474 47 HA2 GLY 6 HA2 GLY 6 0.144 4.797 11.348 48 HA3 GLY 6 HA3 GLY 6 -1.028 4.653 12.658 49 H ALA 7 H ALA 7 -1.637 6.991 10.168 50 HA ALA 7 HA ALA 7 -3.611 5.129 8.892 51 HB1 ALA 7 HB1 ALA 7 -5.050 7.288 8.820 52 HB2 ALA 7 HB2 ALA 7 -3.925 7.910 10.027 53 HB3 ALA 7 HB3 ALA 7 -4.886 6.472 10.374 54 H THR 8 H THR 8 -0.892 6.120 8.064 55 HA THR 8 HA THR 8 -1.550 7.904 5.774 56 HB THR 8 HB THR 8 1.155 6.847 6.605 57 HG1 THR 8 HG1 THR 8 -0.312 9.012 7.695 58 HG21 THR 8 HG21 THR 8 1.405 9.482 5.911 59 HG22 THR 8 HG22 THR 8 0.081 8.970 4.864 60 HG23 THR 8 HG23 THR 8 1.633 8.134 4.796 61 H VAL 9 H VAL 9 -0.390 7.288 3.666 62 HA VAL 9 HA VAL 9 -0.245 4.326 3.272 63 HB VAL 9 HB VAL 9 -1.748 6.326 1.551 64 HG11 VAL 9 HG11 VAL 9 -1.063 4.572 0.129 65 HG12 VAL 9 HG12 VAL 9 -2.678 4.079 0.641 66 HG13 VAL 9 HG13 VAL 9 -1.256 3.356 1.392 67 HG21 VAL 9 HG21 VAL 9 -2.871 4.132 3.314 68 HG22 VAL 9 HG22 VAL 9 -3.771 5.384 2.456 69 HG23 VAL 9 HG23 VAL 9 -2.749 5.814 3.829 70 H GLY 10 H GLY 10 1.743 6.619 3.397 71 HA2 GLY 10 HA2 GLY 10 2.673 7.212 0.752 72 HA3 GLY 10 HA3 GLY 10 3.642 7.337 2.220 73 HA PRO 11 HA PRO 11 5.574 3.931 -0.045 74 HB2 PRO 11 HB2 PRO 11 8.073 4.385 0.970 75 HB3 PRO 11 HB3 PRO 11 7.419 5.277 -0.418 76 HG2 PRO 11 HG2 PRO 11 7.661 6.110 2.424 77 HG3 PRO 11 HG3 PRO 11 7.856 7.064 0.945 78 HD2 PRO 11 HD2 PRO 11 5.611 7.109 2.526 79 HD3 PRO 11 HD3 PRO 11 5.625 7.522 0.799 80 H SER 12 H SER 12 6.499 4.794 3.317 81 HA SER 12 HA SER 12 7.271 2.293 4.281 82 HB2 SER 12 HB2 SER 12 5.510 4.264 5.761 83 HB3 SER 12 HB3 SER 12 6.753 3.215 6.441 84 HG SER 12 HG SER 12 8.270 4.398 5.137 85 H VAL 13 H VAL 13 3.941 3.572 4.029 86 HA VAL 13 HA VAL 13 2.611 1.338 5.219 87 HB VAL 13 HB VAL 13 1.799 3.391 3.140 88 HG11 VAL 13 HG11 VAL 13 -0.437 2.465 4.611 89 HG12 VAL 13 HG12 VAL 13 0.421 1.029 4.054 90 HG13 VAL 13 HG13 VAL 13 -0.119 2.240 2.892 91 HG21 VAL 13 HG21 VAL 13 1.272 4.760 4.898 92 HG22 VAL 13 HG22 VAL 13 2.484 3.793 5.735 93 HG23 VAL 13 HG23 VAL 13 0.772 3.417 5.926 94 H TRP 14 H TRP 14 3.609 2.001 1.873 95 HA TRP 14 HA TRP 14 2.281 -0.222 0.639 96 HB2 TRP 14 HB2 TRP 14 3.067 1.543 -0.728 97 HB3 TRP 14 HB3 TRP 14 4.661 1.530 0.023 98 HD1 TRP 14 HD1 TRP 14 6.432 0.487 -1.443 99 HE1 TRP 14 HE1 TRP 14 6.502 -1.348 -3.253 100 HE3 TRP 14 HE3 TRP 14 1.522 -0.920 -1.466 101 HZ2 TRP 14 HZ2 TRP 14 4.713 -3.173 -4.539 102 HZ3 TRP 14 HZ3 TRP 14 0.734 -2.706 -2.992 103 HH2 TRP 14 HH2 TRP 14 2.322 -3.834 -4.526 104 H ALA 15 H ALA 15 5.562 0.138 2.006 105 HA ALA 15 HA ALA 15 6.476 -2.503 1.312 106 HB1 ALA 15 HB1 ALA 15 8.078 -0.829 1.825 107 HB2 ALA 15 HB2 ALA 15 8.124 -1.904 3.221 108 HB3 ALA 15 HB3 ALA 15 7.248 -0.376 3.315 109 H TYR 16 H TYR 16 4.564 -1.231 3.974 110 HA TYR 16 HA TYR 16 4.904 -3.538 5.720 111 HB2 TYR 16 HB2 TYR 16 4.082 -0.977 6.013 112 HB3 TYR 16 HB3 TYR 16 2.513 -1.772 5.891 113 HD1 TYR 16 HD1 TYR 16 5.801 -2.015 7.665 114 HD2 TYR 16 HD2 TYR 16 1.589 -2.852 7.762 115 HE1 TYR 16 HE1 TYR 16 6.009 -2.790 10.013 116 HE2 TYR 16 HE2 TYR 16 1.797 -3.627 10.109 117 HH TYR 16 HH TYR 16 3.906 -2.931 12.092 118 H LEU 17 H LEU 17 2.646 -2.610 3.166 119 HA LEU 17 HA LEU 17 0.760 -4.765 3.770 120 HB2 LEU 17 HB2 LEU 17 -0.463 -3.207 2.666 121 HB3 LEU 17 HB3 LEU 17 0.992 -2.384 2.117 122 HG LEU 17 HG LEU 17 1.193 -4.102 0.293 123 HD11 LEU 17 HD11 LEU 17 -1.636 -4.868 0.510 124 HD12 LEU 17 HD12 LEU 17 -0.635 -5.505 1.816 125 HD13 LEU 17 HD13 LEU 17 -0.227 -5.863 0.138 126 HD21 LEU 17 HD21 LEU 17 -0.788 -1.986 0.580 127 HD22 LEU 17 HD22 LEU 17 -1.323 -3.216 -0.565 128 HD23 LEU 17 HD23 LEU 17 0.214 -2.391 -0.813 129 H VAL 18 H VAL 18 3.530 -4.263 1.682 130 HA VAL 18 HA VAL 18 3.065 -6.644 0.045 131 HB VAL 18 HB VAL 18 5.272 -4.626 0.458 132 HG11 VAL 18 HG11 VAL 18 6.370 -6.800 0.068 133 HG12 VAL 18 HG12 VAL 18 6.538 -5.754 -1.342 134 HG13 VAL 18 HG13 VAL 18 5.355 -7.062 -1.350 135 HG21 VAL 18 HG21 VAL 18 3.965 -5.349 -2.143 136 HG22 VAL 18 HG22 VAL 18 4.593 -3.792 -1.606 137 HG23 VAL 18 HG23 VAL 18 3.058 -4.389 -0.975 138 H ALA 19 H ALA 19 5.081 -5.794 2.854 139 HA ALA 19 HA ALA 19 6.502 -8.313 2.967 140 HB1 ALA 19 HB1 ALA 19 6.041 -6.771 5.452 141 HB2 ALA 19 HB2 ALA 19 6.690 -5.831 4.109 142 HB3 ALA 19 HB3 ALA 19 7.561 -7.249 4.695 143 H LEU 20 H LEU 20 3.732 -7.007 4.833 144 HA LEU 20 HA LEU 20 3.241 -9.308 6.427 145 HB2 LEU 20 HB2 LEU 20 1.704 -6.943 5.422 146 HB3 LEU 20 HB3 LEU 20 0.816 -8.230 6.237 147 HG LEU 20 HG LEU 20 3.304 -6.994 7.426 148 HD11 LEU 20 HD11 LEU 20 0.472 -6.253 8.166 149 HD12 LEU 20 HD12 LEU 20 1.386 -5.337 6.967 150 HD13 LEU 20 HD13 LEU 20 1.969 -5.444 8.628 151 HD21 LEU 20 HD21 LEU 20 2.297 -7.907 9.516 152 HD22 LEU 20 HD22 LEU 20 2.622 -9.168 8.328 153 HD23 LEU 20 HD23 LEU 20 0.977 -8.579 8.559 154 H VAL 21 H VAL 21 1.718 -8.342 3.325 155 HA VAL 21 HA VAL 21 0.223 -10.818 3.063 156 HB VAL 21 HB VAL 21 1.015 -8.725 1.011 157 HG11 VAL 21 HG11 VAL 21 -1.328 -10.648 1.116 158 HG12 VAL 21 HG12 VAL 21 0.082 -10.825 0.074 159 HG13 VAL 21 HG13 VAL 21 -1.016 -9.465 -0.152 160 HG21 VAL 21 HG21 VAL 21 -0.056 -7.656 2.920 161 HG22 VAL 21 HG22 VAL 21 -1.331 -8.874 2.929 162 HG23 VAL 21 HG23 VAL 21 -1.215 -7.730 1.592 163 H GLY 22 H GLY 22 3.485 -9.890 2.383 164 HA2 GLY 22 HA2 GLY 22 3.941 -11.848 0.270 165 HA3 GLY 22 HA3 GLY 22 5.187 -10.933 1.120 166 H ALA 23 H ALA 23 4.035 -11.829 3.762 167 HA ALA 23 HA ALA 23 5.653 -14.236 4.045 168 HB1 ALA 23 HB1 ALA 23 4.170 -12.292 5.691 169 HB2 ALA 23 HB2 ALA 23 5.708 -13.095 6.017 170 HB3 ALA 23 HB3 ALA 23 4.190 -13.925 6.358 171 H ALA 24 H ALA 24 2.164 -13.511 4.041 172 HA ALA 24 HA ALA 24 1.392 -16.282 4.568 173 HB1 ALA 24 HB1 ALA 24 -0.546 -15.210 5.024 174 HB2 ALA 24 HB2 ALA 24 -0.645 -14.602 3.372 175 HB3 ALA 24 HB3 ALA 24 0.252 -13.699 4.593 176 H ALA 25 H ALA 25 1.913 -14.263 1.725 177 HA ALA 25 HA ALA 25 0.551 -15.954 -0.178 178 HB1 ALA 25 HB1 ALA 25 1.019 -13.662 -0.696 179 HB2 ALA 25 HB2 ALA 25 2.047 -14.615 -1.766 180 HB3 ALA 25 HB3 ALA 25 2.733 -13.859 -0.327 181 H VAL 26 H VAL 26 3.495 -16.311 1.544 182 HA VAL 26 HA VAL 26 4.938 -17.871 -0.458 183 HB VAL 26 HB VAL 26 5.207 -17.429 2.531 184 HG11 VAL 26 HG11 VAL 26 6.216 -19.585 1.924 185 HG12 VAL 26 HG12 VAL 26 7.477 -18.401 2.271 186 HG13 VAL 26 HG13 VAL 26 7.093 -18.816 0.601 187 HG21 VAL 26 HG21 VAL 26 6.518 -15.640 1.996 188 HG22 VAL 26 HG22 VAL 26 5.664 -15.703 0.453 189 HG23 VAL 26 HG23 VAL 26 7.246 -16.466 0.619 190 H THR 27 H THR 27 2.392 -18.521 1.772 191 HA THR 27 HA THR 27 2.947 -21.462 1.680 192 HB THR 27 HB THR 27 1.105 -19.796 3.430 193 HG1 THR 27 HG1 THR 27 3.591 -21.019 4.030 194 HG21 THR 27 HG21 THR 27 0.756 -22.387 2.939 195 HG22 THR 27 HG22 THR 27 0.553 -21.733 4.564 196 HG23 THR 27 HG23 THR 27 2.055 -22.544 4.121 197 H ALA 28 H ALA 28 0.292 -19.083 1.321 198 HA ALA 28 HA ALA 28 -1.461 -21.109 0.089 199 HB1 ALA 28 HB1 ALA 28 -1.679 -18.151 0.712 200 HB2 ALA 28 HB2 ALA 28 -2.414 -19.484 1.601 201 HB3 ALA 28 HB3 ALA 28 -2.986 -19.082 -0.017 202 H ALA 29 H ALA 29 0.336 -21.332 -1.692 203 HA ALA 29 HA ALA 29 0.065 -19.191 -3.763 204 HB1 ALA 29 HB1 ALA 29 2.136 -20.125 -4.630 205 HB2 ALA 29 HB2 ALA 29 1.998 -21.521 -3.562 206 HB3 ALA 29 HB3 ALA 29 2.314 -19.923 -2.886 207 H ASN 30 H ASN 30 -1.786 -21.623 -3.046 208 HA ASN 30 HA ASN 30 -1.925 -22.713 -5.841 209 HB2 ASN 30 HB2 ASN 30 -1.547 -23.981 -3.311 210 HB3 ASN 30 HB3 ASN 30 -3.147 -24.435 -3.899 211 HD21 ASN 30 HD21 ASN 30 -3.125 -25.085 -6.371 212 HD22 ASN 30 HD22 ASN 30 -1.816 -26.044 -6.869 Start of MODEL 20 1 H2 PRO 1 HT1 PRO 1 -2.205 19.018 -12.379 2 H3 PRO 1 HT2 PRO 1 -2.198 19.220 -14.022 3 HA PRO 1 HA PRO 1 -3.431 17.461 -14.232 4 HB2 PRO 1 HB2 PRO 1 -2.047 15.303 -13.285 5 HB3 PRO 1 HB3 PRO 1 -1.645 16.109 -14.816 6 HG2 PRO 1 HG2 PRO 1 -0.390 16.414 -12.132 7 HG3 PRO 1 HG3 PRO 1 0.373 16.294 -13.728 8 HD2 PRO 1 HD2 PRO 1 0.065 18.647 -12.474 9 HD3 PRO 1 HD3 PRO 1 -0.029 18.497 -14.240 10 H ALA 2 H ALA 2 -5.013 16.249 -13.086 11 HA ALA 2 HA ALA 2 -4.873 16.473 -10.095 12 HB1 ALA 2 HB1 ALA 2 -6.607 17.689 -11.835 13 HB2 ALA 2 HB2 ALA 2 -6.991 17.328 -10.152 14 HB3 ALA 2 HB3 ALA 2 -7.500 16.225 -11.430 15 H ILE 3 H ILE 3 -3.789 14.204 -11.381 16 HA ILE 3 HA ILE 3 -5.861 12.093 -11.389 17 HB ILE 3 HB ILE 3 -2.851 12.091 -11.807 18 HG12 ILE 3 HG12 ILE 3 -4.116 13.373 -13.500 19 HG13 ILE 3 HG13 ILE 3 -3.461 11.889 -14.194 20 HG21 ILE 3 HG21 ILE 3 -3.191 9.847 -12.746 21 HG22 ILE 3 HG22 ILE 3 -4.914 9.942 -12.389 22 HG23 ILE 3 HG23 ILE 3 -3.744 9.891 -11.071 23 HD11 ILE 3 HD11 ILE 3 -5.719 10.811 -13.624 24 HD12 ILE 3 HD12 ILE 3 -5.714 11.976 -14.949 25 HD13 ILE 3 HD13 ILE 3 -6.309 12.452 -13.358 26 H TYR 4 H TYR 4 -2.608 11.868 -9.976 27 HA TYR 4 HA TYR 4 -3.853 11.168 -7.349 28 HB2 TYR 4 HB2 TYR 4 -2.260 9.625 -9.248 29 HB3 TYR 4 HB3 TYR 4 -1.567 9.624 -7.630 30 HD1 TYR 4 HD1 TYR 4 -3.195 9.150 -5.653 31 HD2 TYR 4 HD2 TYR 4 -4.049 8.204 -9.755 32 HE1 TYR 4 HE1 TYR 4 -4.915 7.517 -4.918 33 HE2 TYR 4 HE2 TYR 4 -5.769 6.572 -9.022 34 HH TYR 4 HH TYR 4 -6.450 6.053 -5.556 35 H ILE 5 H ILE 5 -2.436 13.529 -8.501 36 HA ILE 5 HA ILE 5 0.097 13.645 -6.979 37 HB ILE 5 HB ILE 5 -1.362 15.612 -8.754 38 HG12 ILE 5 HG12 ILE 5 -0.570 13.438 -9.801 39 HG13 ILE 5 HG13 ILE 5 0.133 14.894 -10.502 40 HG21 ILE 5 HG21 ILE 5 0.129 17.108 -7.966 41 HG22 ILE 5 HG22 ILE 5 1.396 16.142 -8.724 42 HG23 ILE 5 HG23 ILE 5 0.963 15.862 -7.038 43 HD11 ILE 5 HD11 ILE 5 1.428 13.092 -8.437 44 HD12 ILE 5 HD12 ILE 5 2.120 14.606 -9.019 45 HD13 ILE 5 HD13 ILE 5 1.900 13.253 -10.129 46 H GLY 6 H GLY 6 -2.593 13.543 -5.700 47 HA2 GLY 6 HA2 GLY 6 -2.250 15.938 -3.961 48 HA3 GLY 6 HA3 GLY 6 -3.858 15.543 -4.574 49 H ALA 7 H ALA 7 -1.951 12.783 -3.988 50 HA ALA 7 HA ALA 7 -2.880 12.489 -1.180 51 HB1 ALA 7 HB1 ALA 7 -4.311 11.559 -3.425 52 HB2 ALA 7 HB2 ALA 7 -4.597 11.129 -1.739 53 HB3 ALA 7 HB3 ALA 7 -3.537 10.133 -2.736 54 H THR 8 H THR 8 -0.258 12.583 -2.697 55 HA THR 8 HA THR 8 1.750 11.324 -2.891 56 HB THR 8 HB THR 8 1.321 12.015 -0.466 57 HG1 THR 8 HG1 THR 8 3.098 10.902 0.184 58 HG21 THR 8 HG21 THR 8 -0.449 10.555 0.178 59 HG22 THR 8 HG22 THR 8 0.972 9.988 1.054 60 HG23 THR 8 HG23 THR 8 0.422 9.128 -0.382 61 H VAL 9 H VAL 9 2.423 8.824 -1.752 62 HA VAL 9 HA VAL 9 0.524 6.952 -3.130 63 HB VAL 9 HB VAL 9 3.534 7.221 -3.207 64 HG11 VAL 9 HG11 VAL 9 3.438 4.918 -2.950 65 HG12 VAL 9 HG12 VAL 9 3.207 5.048 -4.693 66 HG13 VAL 9 HG13 VAL 9 1.817 4.805 -3.636 67 HG21 VAL 9 HG21 VAL 9 3.008 8.198 -5.170 68 HG22 VAL 9 HG22 VAL 9 1.305 7.787 -4.969 69 HG23 VAL 9 HG23 VAL 9 2.407 6.634 -5.723 70 H GLY 10 H GLY 10 2.866 7.460 -0.524 71 HA2 GLY 10 HA2 GLY 10 2.713 6.467 1.651 72 HA3 GLY 10 HA3 GLY 10 1.572 5.286 1.004 73 HA PRO 11 HA PRO 11 5.997 3.868 -0.213 74 HB2 PRO 11 HB2 PRO 11 8.034 4.977 1.239 75 HB3 PRO 11 HB3 PRO 11 7.453 5.661 -0.292 76 HG2 PRO 11 HG2 PRO 11 6.903 6.525 2.497 77 HG3 PRO 11 HG3 PRO 11 7.118 7.496 1.033 78 HD2 PRO 11 HD2 PRO 11 4.682 6.923 2.161 79 HD3 PRO 11 HD3 PRO 11 4.922 7.331 0.449 80 H SER 12 H SER 12 6.263 4.925 3.211 81 HA SER 12 HA SER 12 7.249 2.464 4.230 82 HB2 SER 12 HB2 SER 12 6.899 3.500 6.310 83 HB3 SER 12 HB3 SER 12 6.989 4.879 5.219 84 HG SER 12 HG SER 12 4.985 5.302 5.663 85 H VAL 13 H VAL 13 3.881 3.678 4.087 86 HA VAL 13 HA VAL 13 2.604 1.464 5.316 87 HB VAL 13 HB VAL 13 1.677 3.265 3.053 88 HG11 VAL 13 HG11 VAL 13 -0.110 1.857 3.143 89 HG12 VAL 13 HG12 VAL 13 -0.503 2.736 4.619 90 HG13 VAL 13 HG13 VAL 13 0.363 1.201 4.709 91 HG21 VAL 13 HG21 VAL 13 0.577 4.200 5.397 92 HG22 VAL 13 HG22 VAL 13 2.020 4.868 4.633 93 HG23 VAL 13 HG23 VAL 13 2.176 3.681 5.930 94 H TRP 14 H TRP 14 3.520 1.985 1.910 95 HA TRP 14 HA TRP 14 2.289 -0.375 0.845 96 HB2 TRP 14 HB2 TRP 14 2.962 1.363 -0.631 97 HB3 TRP 14 HB3 TRP 14 4.584 1.426 0.056 98 HD1 TRP 14 HD1 TRP 14 6.348 0.269 -1.339 99 HE1 TRP 14 HE1 TRP 14 6.384 -1.634 -3.077 100 HE3 TRP 14 HE3 TRP 14 1.419 -1.067 -1.290 101 HZ2 TRP 14 HZ2 TRP 14 4.565 -3.479 -4.288 102 HZ3 TRP 14 HZ3 TRP 14 0.599 -2.899 -2.743 103 HH2 TRP 14 HH2 TRP 14 2.165 -4.106 -4.240 104 H ALA 15 H ALA 15 5.577 0.233 2.106 105 HA ALA 15 HA ALA 15 6.678 -2.337 1.525 106 HB1 ALA 15 HB1 ALA 15 7.593 -1.058 3.998 107 HB2 ALA 15 HB2 ALA 15 7.462 0.077 2.655 108 HB3 ALA 15 HB3 ALA 15 8.478 -1.357 2.503 109 H TYR 16 H TYR 16 4.629 -1.191 4.154 110 HA TYR 16 HA TYR 16 5.039 -3.491 5.884 111 HB2 TYR 16 HB2 TYR 16 3.967 -0.961 6.067 112 HB3 TYR 16 HB3 TYR 16 2.519 -1.970 6.075 113 HD1 TYR 16 HD1 TYR 16 5.953 -1.877 7.597 114 HD2 TYR 16 HD2 TYR 16 1.799 -2.840 8.114 115 HE1 TYR 16 HE1 TYR 16 6.386 -2.477 9.962 116 HE2 TYR 16 HE2 TYR 16 2.233 -3.440 10.481 117 HH TYR 16 HH TYR 16 4.131 -4.159 11.875 118 H LEU 17 H LEU 17 2.226 -2.453 3.907 119 HA LEU 17 HA LEU 17 0.721 -4.839 4.201 120 HB2 LEU 17 HB2 LEU 17 -0.693 -3.481 3.071 121 HB3 LEU 17 HB3 LEU 17 0.629 -2.345 2.837 122 HG LEU 17 HG LEU 17 1.292 -3.849 0.825 123 HD11 LEU 17 HD11 LEU 17 -1.625 -4.564 0.814 124 HD12 LEU 17 HD12 LEU 17 -0.492 -5.580 1.706 125 HD13 LEU 17 HD13 LEU 17 -0.285 -5.341 -0.029 126 HD21 LEU 17 HD21 LEU 17 -0.674 -2.757 -0.530 127 HD22 LEU 17 HD22 LEU 17 0.502 -1.715 0.272 128 HD23 LEU 17 HD23 LEU 17 -1.074 -1.999 1.011 129 H VAL 18 H VAL 18 3.525 -4.162 2.267 130 HA VAL 18 HA VAL 18 3.128 -6.412 0.419 131 HB VAL 18 HB VAL 18 5.368 -4.465 1.029 132 HG11 VAL 18 HG11 VAL 18 5.552 -7.005 -0.252 133 HG12 VAL 18 HG12 VAL 18 6.793 -5.756 -0.139 134 HG13 VAL 18 HG13 VAL 18 5.676 -5.771 -1.506 135 HG21 VAL 18 HG21 VAL 18 3.219 -3.713 -0.127 136 HG22 VAL 18 HG22 VAL 18 3.671 -4.773 -1.461 137 HG23 VAL 18 HG23 VAL 18 4.708 -3.415 -1.023 138 H ALA 19 H ALA 19 5.215 -5.676 3.224 139 HA ALA 19 HA ALA 19 6.693 -8.131 3.202 140 HB1 ALA 19 HB1 ALA 19 6.250 -5.784 4.885 141 HB2 ALA 19 HB2 ALA 19 7.719 -6.730 4.658 142 HB3 ALA 19 HB3 ALA 19 6.516 -7.241 5.841 143 H LEU 20 H LEU 20 3.475 -7.332 4.312 144 HA LEU 20 HA LEU 20 3.229 -9.759 5.974 145 HB2 LEU 20 HB2 LEU 20 1.757 -7.264 5.397 146 HB3 LEU 20 HB3 LEU 20 0.727 -8.663 5.703 147 HG LEU 20 HG LEU 20 3.010 -8.388 7.556 148 HD11 LEU 20 HD11 LEU 20 1.919 -6.007 6.973 149 HD12 LEU 20 HD12 LEU 20 2.405 -6.433 8.614 150 HD13 LEU 20 HD13 LEU 20 0.715 -6.571 8.131 151 HD21 LEU 20 HD21 LEU 20 0.251 -8.482 8.568 152 HD22 LEU 20 HD22 LEU 20 1.603 -9.567 8.894 153 HD23 LEU 20 HD23 LEU 20 0.629 -9.783 7.440 154 H VAL 21 H VAL 21 1.364 -8.469 3.189 155 HA VAL 21 HA VAL 21 -0.015 -10.833 2.525 156 HB VAL 21 HB VAL 21 1.070 -8.559 0.837 157 HG11 VAL 21 HG11 VAL 21 -0.329 -9.255 -0.944 158 HG12 VAL 21 HG12 VAL 21 -1.207 -10.391 0.081 159 HG13 VAL 21 HG13 VAL 21 0.453 -10.740 -0.401 160 HG21 VAL 21 HG21 VAL 21 -1.396 -7.887 0.985 161 HG22 VAL 21 HG22 VAL 21 -0.470 -7.749 2.480 162 HG23 VAL 21 HG23 VAL 21 -1.555 -9.119 2.237 163 H GLY 22 H GLY 22 3.310 -9.890 1.807 164 HA2 GLY 22 HA2 GLY 22 3.796 -11.908 -0.196 165 HA3 GLY 22 HA3 GLY 22 5.039 -11.044 0.710 166 H ALA 23 H ALA 23 4.370 -11.780 3.324 167 HA ALA 23 HA ALA 23 5.607 -14.352 3.562 168 HB1 ALA 23 HB1 ALA 23 5.755 -13.573 5.679 169 HB2 ALA 23 HB2 ALA 23 4.000 -13.598 5.851 170 HB3 ALA 23 HB3 ALA 23 4.800 -12.177 5.178 171 H ALA 24 H ALA 24 2.240 -13.353 3.322 172 HA ALA 24 HA ALA 24 1.203 -15.983 4.147 173 HB1 ALA 24 HB1 ALA 24 -0.949 -14.745 3.294 174 HB2 ALA 24 HB2 ALA 24 0.108 -13.335 3.220 175 HB3 ALA 24 HB3 ALA 24 -0.153 -14.162 4.756 176 H ALA 25 H ALA 25 2.206 -14.419 1.219 177 HA ALA 25 HA ALA 25 0.601 -16.085 -0.583 178 HB1 ALA 25 HB1 ALA 25 2.218 -13.735 -0.651 179 HB2 ALA 25 HB2 ALA 25 1.207 -14.384 -1.941 180 HB3 ALA 25 HB3 ALA 25 2.896 -14.874 -1.813 181 H VAL 26 H VAL 26 3.423 -16.569 1.256 182 HA VAL 26 HA VAL 26 4.489 -18.614 -0.648 183 HB VAL 26 HB VAL 26 5.596 -17.131 1.750 184 HG11 VAL 26 HG11 VAL 26 7.742 -18.441 0.754 185 HG12 VAL 26 HG12 VAL 26 6.490 -19.641 0.429 186 HG13 VAL 26 HG13 VAL 26 6.765 -19.076 2.077 187 HG21 VAL 26 HG21 VAL 26 5.693 -16.846 -1.160 188 HG22 VAL 26 HG22 VAL 26 7.303 -16.911 -0.441 189 HG23 VAL 26 HG23 VAL 26 6.147 -15.691 0.094 190 H THR 27 H THR 27 2.517 -18.348 2.084 191 HA THR 27 HA THR 27 3.209 -21.130 2.973 192 HB THR 27 HB THR 27 3.532 -19.195 4.570 193 HG1 THR 27 HG1 THR 27 1.428 -20.705 5.588 194 HG21 THR 27 HG21 THR 27 1.193 -18.267 3.541 195 HG22 THR 27 HG22 THR 27 1.837 -17.768 5.106 196 HG23 THR 27 HG23 THR 27 0.612 -19.034 5.017 197 H ALA 28 H ALA 28 0.772 -19.071 1.628 198 HA ALA 28 HA ALA 28 -1.567 -20.573 2.431 199 HB1 ALA 28 HB1 ALA 28 -2.020 -18.412 1.706 200 HB2 ALA 28 HB2 ALA 28 -2.361 -19.304 0.225 201 HB3 ALA 28 HB3 ALA 28 -0.814 -18.482 0.422 202 H ALA 29 H ALA 29 0.888 -21.047 0.011 203 HA ALA 29 HA ALA 29 -0.726 -22.782 -1.713 204 HB1 ALA 29 HB1 ALA 29 2.068 -21.757 -1.507 205 HB2 ALA 29 HB2 ALA 29 0.983 -21.780 -2.897 206 HB3 ALA 29 HB3 ALA 29 1.834 -23.249 -2.420 207 H ASN 30 H ASN 30 0.769 -23.168 1.302 208 HA ASN 30 HA ASN 30 1.411 -26.041 0.898 209 HB2 ASN 30 HB2 ASN 30 1.664 -24.214 3.310 210 HB3 ASN 30 HB3 ASN 30 2.406 -25.804 3.126 211 HD21 ASN 30 HD21 ASN 30 3.588 -25.832 0.701 212 HD22 ASN 30 HD22 ASN 30 4.665 -24.535 0.498
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