NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504621 | 2emh | 10202 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.880 -21.716 15.179 2 HA2 GLY 1 1HA GLY 1 7.398 -19.486 14.013 3 HA3 GLY 1 2HA GLY 1 5.906 -19.997 13.237 4 H SER 2 H SER 2 5.789 -17.506 13.851 5 HA SER 2 HA SER 2 3.896 -17.382 16.034 6 HB2 SER 2 1HB SER 2 5.062 -15.442 17.111 7 HB3 SER 2 2HB SER 2 5.925 -16.971 17.277 8 HG SER 2 HG SER 2 7.539 -16.013 16.358 9 H SER 3 H SER 3 2.232 -16.471 15.031 10 HA SER 3 HA SER 3 2.618 -13.898 13.711 11 HB2 SER 3 1HB SER 3 1.253 -16.250 12.378 12 HB3 SER 3 2HB SER 3 1.244 -14.597 11.765 13 HG SER 3 HG SER 3 2.892 -15.697 10.750 14 H GLY 4 H GLY 4 1.233 -12.548 14.632 15 HA2 GLY 4 1HA GLY 4 -1.424 -13.588 15.403 16 HA3 GLY 4 2HA GLY 4 -0.531 -12.452 16.402 17 H SER 5 H SER 5 -2.980 -12.714 14.223 18 HA SER 5 HA SER 5 -2.875 -9.842 13.652 19 HB2 SER 5 1HB SER 5 -3.095 -12.060 11.651 20 HB3 SER 5 2HB SER 5 -3.929 -10.537 11.344 21 HG SER 5 HG SER 5 -1.264 -10.403 12.144 22 H SER 6 H SER 6 -5.002 -8.982 12.954 23 HA SER 6 HA SER 6 -7.007 -9.487 14.746 24 HB2 SER 6 1HB SER 6 -8.530 -8.321 13.181 25 HB3 SER 6 2HB SER 6 -6.980 -7.493 13.334 26 HG SER 6 HG SER 6 -7.943 -9.066 11.196 27 H GLY 7 H GLY 7 -6.139 -11.360 12.006 28 HA2 GLY 7 1HA GLY 7 -7.040 -13.691 12.168 29 HA3 GLY 7 2HA GLY 7 -8.623 -12.937 12.292 30 H THR 8 H THR 8 -9.548 -13.770 10.478 31 HA THR 8 HA THR 8 -8.172 -13.674 7.934 32 HB THR 8 HB THR 8 -11.037 -14.460 8.500 33 HG1 THR 8 HG1 THR 8 -8.800 -16.182 8.137 34 HG21 THR 8 3HG2 THR 8 -10.639 -15.787 6.350 35 HG22 THR 8 1HG2 THR 8 -9.236 -14.746 6.108 36 HG23 THR 8 2HG2 THR 8 -10.851 -14.043 6.192 37 H GLY 9 H GLY 9 -9.008 -12.587 6.058 38 HA2 GLY 9 1HA GLY 9 -10.814 -11.019 5.280 39 HA3 GLY 9 2HA GLY 9 -10.489 -10.129 6.760 40 H GLU 10 H GLU 10 -10.228 -9.567 3.756 41 HA GLU 10 HA GLU 10 -7.404 -8.741 3.754 42 HB2 GLU 10 1HB GLU 10 -9.343 -9.398 1.566 43 HB3 GLU 10 2HB GLU 10 -7.983 -8.334 1.234 44 HG2 GLU 10 1HG GLU 10 -6.506 -10.162 2.178 45 HG3 GLU 10 2HG GLU 10 -7.925 -11.204 2.105 46 H ARG 11 H ARG 11 -7.143 -6.685 2.261 47 HA ARG 11 HA ARG 11 -9.130 -4.694 3.141 48 HB2 ARG 11 1HB ARG 11 -6.155 -4.676 3.292 49 HB3 ARG 11 2HB ARG 11 -6.967 -3.154 2.949 50 HG2 ARG 11 1HG ARG 11 -7.924 -3.035 5.019 51 HG3 ARG 11 2HG ARG 11 -7.937 -4.786 5.234 52 HD2 ARG 11 1HD ARG 11 -5.310 -3.402 5.063 53 HD3 ARG 11 2HD ARG 11 -6.246 -3.233 6.547 54 HE ARG 11 HE ARG 11 -4.928 -5.614 5.577 55 HH11 ARG 11 1HH1 ARG 11 -7.330 -4.292 7.723 56 HH12 ARG 11 2HH1 ARG 11 -7.308 -5.652 8.796 57 HH21 ARG 11 1HH2 ARG 11 -4.890 -7.410 6.983 58 HH22 ARG 11 2HH2 ARG 11 -5.919 -7.424 8.375 59 HA PRO 12 HA PRO 12 -9.538 -3.439 -1.046 60 HB2 PRO 12 1HB PRO 12 -10.067 -0.793 -0.743 61 HB3 PRO 12 2HB PRO 12 -11.233 -2.058 -0.337 62 HG2 PRO 12 1HG PRO 12 -9.403 -0.520 1.464 63 HG3 PRO 12 2HG PRO 12 -11.105 -0.954 1.705 64 HD2 PRO 12 1HD PRO 12 -9.076 -2.317 2.869 65 HD3 PRO 12 2HD PRO 12 -10.594 -3.097 2.380 66 H TYR 13 H TYR 13 -7.672 -1.059 0.853 67 HA TYR 13 HA TYR 13 -6.048 -0.455 -1.490 68 HB2 TYR 13 1HB TYR 13 -5.650 0.777 1.219 69 HB3 TYR 13 2HB TYR 13 -5.331 1.467 -0.368 70 HD1 TYR 13 HD1 TYR 13 -7.192 2.326 -1.744 71 HD2 TYR 13 HD2 TYR 13 -7.820 0.924 2.224 72 HE1 TYR 13 HE1 TYR 13 -9.376 3.457 -1.696 73 HE2 TYR 13 HE2 TYR 13 -10.006 2.050 2.282 74 HH TYR 13 HH TYR 13 -11.196 3.898 -0.512 75 H ILE 14 H ILE 14 -3.922 -0.953 -1.713 76 HA ILE 14 HA ILE 14 -2.487 -2.173 0.515 77 HB ILE 14 HB ILE 14 -2.941 -3.563 -2.124 78 HG12 ILE 14 1HG1 ILE 14 -3.528 -5.430 -0.376 79 HG13 ILE 14 2HG1 ILE 14 -3.746 -4.069 0.719 80 HG21 ILE 14 1HG2 ILE 14 -0.705 -4.002 -1.787 81 HG22 ILE 14 2HG2 ILE 14 -0.850 -3.948 -0.031 82 HG23 ILE 14 3HG2 ILE 14 -1.459 -5.342 -0.923 83 HD11 ILE 14 3HD1 ILE 14 -5.588 -5.127 -1.099 84 HD12 ILE 14 1HD1 ILE 14 -5.755 -3.678 -0.108 85 HD13 ILE 14 2HD1 ILE 14 -5.107 -3.558 -1.744 86 H CYS 15 H CYS 15 -0.629 -1.120 0.643 87 HA CYS 15 HA CYS 15 0.436 0.647 -1.157 88 HB2 CYS 15 1HB CYS 15 1.164 0.266 1.233 89 HB3 CYS 15 2HB CYS 15 2.119 -1.093 0.651 90 H THR 16 H THR 16 0.861 0.280 -3.233 91 HA THR 16 HA THR 16 1.830 -2.293 -4.141 92 HB THR 16 HB THR 16 1.680 -1.345 -6.399 93 HG1 THR 16 HG1 THR 16 1.464 0.758 -6.717 94 HG21 THR 16 3HG2 THR 16 -0.365 -2.248 -5.867 95 HG22 THR 16 1HG2 THR 16 -0.832 -0.574 -6.165 96 HG23 THR 16 2HG2 THR 16 -0.620 -1.150 -4.511 97 H VAL 17 H VAL 17 3.607 -0.891 -2.404 98 HA VAL 17 HA VAL 17 5.860 -0.446 -4.250 99 HB VAL 17 HB VAL 17 5.334 1.025 -1.664 100 HG11 VAL 17 1HG1 VAL 17 7.703 0.580 -1.926 101 HG12 VAL 17 2HG1 VAL 17 7.661 1.207 -3.575 102 HG13 VAL 17 3HG1 VAL 17 7.374 2.289 -2.213 103 HG21 VAL 17 3HG2 VAL 17 4.303 1.541 -4.153 104 HG22 VAL 17 1HG2 VAL 17 4.503 2.723 -2.859 105 HG23 VAL 17 2HG2 VAL 17 5.737 2.567 -4.110 106 H CYS 18 H CYS 18 4.998 -1.234 -0.886 107 HA CYS 18 HA CYS 18 7.427 -2.888 -0.727 108 HB2 CYS 18 1HB CYS 18 7.112 -2.743 1.743 109 HB3 CYS 18 2HB CYS 18 7.387 -1.181 0.978 110 H GLY 19 H GLY 19 3.951 -2.850 -0.090 111 HA2 GLY 19 1HA GLY 19 2.773 -4.926 -0.762 112 HA3 GLY 19 2HA GLY 19 4.049 -5.800 0.073 113 H LYS 20 H LYS 20 2.548 -2.863 1.277 114 HA LYS 20 HA LYS 20 1.551 -4.402 3.571 115 HB2 LYS 20 1HB LYS 20 3.108 -2.613 4.131 116 HB3 LYS 20 2HB LYS 20 2.110 -1.445 3.274 117 HG2 LYS 20 1HG LYS 20 0.401 -1.567 4.888 118 HG3 LYS 20 2HG LYS 20 1.085 -3.022 5.615 119 HD2 LYS 20 1HD LYS 20 2.741 -0.546 5.540 120 HD3 LYS 20 2HD LYS 20 1.428 -0.652 6.716 121 HE2 LYS 20 1HE LYS 20 3.127 -1.554 7.948 122 HE3 LYS 20 2HE LYS 20 2.504 -3.015 7.183 123 HZ1 LYS 20 3HZ LYS 20 4.250 -3.012 5.629 124 HZ2 LYS 20 1HZ LYS 20 4.985 -2.696 7.120 125 HZ3 LYS 20 2HZ LYS 20 4.724 -1.436 6.022 126 H ALA 21 H ALA 21 -0.544 -4.012 4.405 127 HA ALA 21 HA ALA 21 -2.431 -3.023 2.376 128 HB1 ALA 21 3HB ALA 21 -3.659 -4.503 4.531 129 HB2 ALA 21 1HB ALA 21 -3.702 -4.798 2.793 130 HB3 ALA 21 2HB ALA 21 -2.371 -5.431 3.763 131 H PHE 22 H PHE 22 -4.295 -1.829 3.082 132 HA PHE 22 HA PHE 22 -4.202 -0.673 5.753 133 HB2 PHE 22 1HB PHE 22 -3.972 0.964 3.223 134 HB3 PHE 22 2HB PHE 22 -4.395 1.646 4.790 135 HD1 PHE 22 HD2 PHE 22 -1.733 -0.004 2.856 136 HD2 PHE 22 HD1 PHE 22 -2.747 2.036 6.451 137 HE1 PHE 22 HE2 PHE 22 0.656 0.235 3.390 138 HE2 PHE 22 HE1 PHE 22 -0.358 2.280 6.990 139 HZ PHE 22 HZ PHE 22 1.347 1.377 5.459 140 H THR 23 H THR 23 -6.181 -0.223 6.543 141 HA THR 23 HA THR 23 -8.475 -1.096 5.093 142 HB THR 23 HB THR 23 -8.416 0.448 7.691 143 HG1 THR 23 HG1 THR 23 -7.764 -1.347 8.594 144 HG21 THR 23 3HG2 THR 23 -10.485 -1.547 6.834 145 HG22 THR 23 1HG2 THR 23 -10.598 0.141 6.339 146 HG23 THR 23 2HG2 THR 23 -10.604 -0.278 8.053 147 H ASP 24 H ASP 24 -7.512 2.095 6.363 148 HA ASP 24 HA ASP 24 -9.511 3.352 4.634 149 HB2 ASP 24 1HB ASP 24 -9.256 3.928 7.114 150 HB3 ASP 24 2HB ASP 24 -7.767 4.750 6.657 151 H ARG 25 H ARG 25 -9.009 4.664 2.953 152 HA ARG 25 HA ARG 25 -6.616 4.375 1.591 153 HB2 ARG 25 1HB ARG 25 -8.534 5.137 0.402 154 HB3 ARG 25 2HB ARG 25 -8.715 6.535 1.454 155 HG2 ARG 25 1HG ARG 25 -7.817 7.442 -0.471 156 HG3 ARG 25 2HG ARG 25 -6.400 7.228 0.560 157 HD2 ARG 25 1HD ARG 25 -5.564 5.522 -0.710 158 HD3 ARG 25 2HD ARG 25 -7.159 4.994 -1.243 159 HE ARG 25 HE ARG 25 -6.903 7.372 -2.468 160 HH11 ARG 25 1HH1 ARG 25 -4.796 4.609 -2.247 161 HH12 ARG 25 2HH1 ARG 25 -4.067 4.878 -3.795 162 HH21 ARG 25 1HH2 ARG 25 -5.950 7.737 -4.508 163 HH22 ARG 25 2HH2 ARG 25 -4.723 6.658 -5.080 164 H SER 26 H SER 26 -7.672 7.147 3.565 165 HA SER 26 HA SER 26 -5.524 8.811 3.312 166 HB2 SER 26 1HB SER 26 -7.346 8.229 5.623 167 HB3 SER 26 2HB SER 26 -6.002 9.352 5.830 168 HG SER 26 HG SER 26 -8.042 9.543 3.863 169 H ASN 27 H ASN 27 -5.830 6.182 5.695 170 HA ASN 27 HA ASN 27 -3.421 6.436 6.991 171 HB2 ASN 27 1HB ASN 27 -5.074 4.019 6.301 172 HB3 ASN 27 2HB ASN 27 -3.566 3.858 7.196 173 HD21 ASN 27 1HD2 ASN 27 -5.645 2.966 8.478 174 HD22 ASN 27 2HD2 ASN 27 -6.184 4.054 9.707 175 H LEU 28 H LEU 28 -4.073 4.640 3.996 176 HA LEU 28 HA LEU 28 -1.525 3.596 3.588 177 HB2 LEU 28 1HB LEU 28 -3.354 2.823 2.273 178 HB3 LEU 28 2HB LEU 28 -3.656 4.438 1.637 179 HG LEU 28 HG LEU 28 -1.566 4.330 0.368 180 HD11 LEU 28 1HD1 LEU 28 -0.163 2.962 1.665 181 HD12 LEU 28 2HD1 LEU 28 -0.480 2.043 0.194 182 HD13 LEU 28 3HD1 LEU 28 -1.331 1.640 1.684 183 HD21 LEU 28 3HD2 LEU 28 -2.577 1.841 -0.611 184 HD22 LEU 28 1HD2 LEU 28 -2.762 3.461 -1.285 185 HD23 LEU 28 2HD2 LEU 28 -3.922 2.862 -0.100 186 H ILE 29 H ILE 29 -2.913 6.612 2.292 187 HA ILE 29 HA ILE 29 -0.722 7.538 0.893 188 HB ILE 29 HB ILE 29 -2.675 9.210 2.479 189 HG12 ILE 29 1HG1 ILE 29 -2.785 8.540 -0.460 190 HG13 ILE 29 2HG1 ILE 29 -3.603 7.567 0.757 191 HG21 ILE 29 1HG2 ILE 29 -1.301 10.145 0.005 192 HG22 ILE 29 2HG2 ILE 29 -1.951 11.076 1.354 193 HG23 ILE 29 3HG2 ILE 29 -0.436 10.194 1.541 194 HD11 ILE 29 3HD1 ILE 29 -4.114 10.443 0.061 195 HD12 ILE 29 1HD1 ILE 29 -5.193 9.065 -0.158 196 HD13 ILE 29 2HD1 ILE 29 -4.810 9.637 1.466 197 H LYS 30 H LYS 30 -1.429 7.839 4.342 198 HA LYS 30 HA LYS 30 0.717 9.552 4.987 199 HB2 LYS 30 1HB LYS 30 -1.101 9.303 6.535 200 HB3 LYS 30 2HB LYS 30 -0.837 7.567 6.650 201 HG2 LYS 30 1HG LYS 30 1.339 7.989 7.715 202 HG3 LYS 30 2HG LYS 30 1.016 9.723 7.646 203 HD2 LYS 30 1HD LYS 30 0.383 9.136 9.811 204 HD3 LYS 30 2HD LYS 30 -1.145 9.154 8.927 205 HE2 LYS 30 1HE LYS 30 -1.337 7.161 10.038 206 HE3 LYS 30 2HE LYS 30 -0.574 6.616 8.545 207 HZ1 LYS 30 3HZ LYS 30 1.412 6.252 9.582 208 HZ2 LYS 30 1HZ LYS 30 0.356 5.894 10.855 209 HZ3 LYS 30 2HZ LYS 30 1.134 7.394 10.799 210 H HIS 31 H HIS 31 0.480 6.087 4.589 211 HA HIS 31 HA HIS 31 2.950 5.427 5.826 212 HB2 HIS 31 1HB HIS 31 1.399 3.658 5.593 213 HB3 HIS 31 2HB HIS 31 1.160 3.985 3.879 214 HD1 HIS 31 HD1 HIS 31 3.673 2.487 6.257 215 HD2 HIS 31 HD2 HIS 31 2.894 2.683 2.180 216 HE1 HIS 31 HE1 HIS 31 5.256 0.850 5.190 217 H GLN 32 H GLN 32 1.999 6.107 2.487 218 HA GLN 32 HA GLN 32 4.309 5.446 1.145 219 HB2 GLN 32 1HB GLN 32 2.471 7.794 0.654 220 HB3 GLN 32 2HB GLN 32 3.680 7.221 -0.486 221 HG2 GLN 32 1HG GLN 32 2.538 5.071 -0.627 222 HG3 GLN 32 2HG GLN 32 1.329 5.637 0.525 223 HE21 GLN 32 1HE2 GLN 32 -0.467 5.712 -0.667 224 HE22 GLN 32 2HE2 GLN 32 -0.656 6.624 -2.122 225 H LYS 33 H LYS 33 3.796 8.001 3.395 226 HA LYS 33 HA LYS 33 5.691 9.878 2.668 227 HB2 LYS 33 1HB LYS 33 4.803 8.942 5.395 228 HB3 LYS 33 2HB LYS 33 5.892 10.304 5.166 229 HG2 LYS 33 1HG LYS 33 4.058 11.250 3.638 230 HG3 LYS 33 2HG LYS 33 3.009 10.053 4.402 231 HD2 LYS 33 1HD LYS 33 3.831 11.013 6.624 232 HD3 LYS 33 2HD LYS 33 4.459 12.360 5.672 233 HE2 LYS 33 1HE LYS 33 1.620 11.504 5.321 234 HE3 LYS 33 2HE LYS 33 2.065 12.475 6.724 235 HZ1 LYS 33 3HZ LYS 33 1.633 14.140 5.284 236 HZ2 LYS 33 1HZ LYS 33 1.971 13.214 3.909 237 HZ3 LYS 33 2HZ LYS 33 3.237 13.874 4.816 238 H ILE 34 H ILE 34 6.173 6.648 3.636 239 HA ILE 34 HA ILE 34 8.890 7.045 4.565 240 HB ILE 34 HB ILE 34 8.953 4.764 5.080 241 HG12 ILE 34 1HG1 ILE 34 6.612 4.385 3.200 242 HG13 ILE 34 2HG1 ILE 34 8.275 3.897 2.896 243 HG21 ILE 34 1HG2 ILE 34 7.394 4.785 6.677 244 HG22 ILE 34 2HG2 ILE 34 6.874 6.318 5.981 245 HG23 ILE 34 3HG2 ILE 34 6.074 4.819 5.508 246 HD11 ILE 34 3HD1 ILE 34 8.159 2.289 4.698 247 HD12 ILE 34 1HD1 ILE 34 6.521 2.813 5.086 248 HD13 ILE 34 2HD1 ILE 34 6.852 2.019 3.546 249 H HIS 35 H HIS 35 7.222 6.025 1.663 250 HA HIS 35 HA HIS 35 9.658 5.152 0.362 251 HB2 HIS 35 1HB HIS 35 6.920 5.556 -0.854 252 HB3 HIS 35 2HB HIS 35 8.254 4.628 -1.532 253 HD1 HIS 35 HD1 HIS 35 9.054 2.667 0.430 254 HD2 HIS 35 HD2 HIS 35 5.088 3.875 0.171 255 HE1 HIS 35 HE1 HIS 35 7.719 0.823 1.498 256 H THR 36 H THR 36 7.673 8.001 0.535 257 HA THR 36 HA THR 36 8.988 9.253 -1.736 258 HB THR 36 HB THR 36 6.512 9.567 -1.118 259 HG1 THR 36 HG1 THR 36 8.090 10.992 -2.465 260 HG21 THR 36 3HG2 THR 36 7.402 11.824 0.598 261 HG22 THR 36 1HG2 THR 36 7.362 10.215 1.318 262 HG23 THR 36 2HG2 THR 36 5.895 10.909 0.626 263 H GLY 37 H GLY 37 9.103 9.282 1.754 264 HA2 GLY 37 1HA GLY 37 11.340 11.201 1.589 265 HA3 GLY 37 2HA GLY 37 10.117 11.337 2.843 266 H GLU 38 H GLU 38 12.964 9.697 1.784 267 HA GLU 38 HA GLU 38 12.977 8.140 4.287 268 HB2 GLU 38 1HB GLU 38 14.505 6.565 3.128 269 HB3 GLU 38 2HB GLU 38 12.912 6.650 2.389 270 HG2 GLU 38 1HG GLU 38 13.731 7.975 0.590 271 HG3 GLU 38 2HG GLU 38 15.293 8.182 1.380 272 H LYS 39 H LYS 39 14.940 10.004 2.013 273 HA LYS 39 HA LYS 39 16.830 10.535 4.208 274 HB2 LYS 39 1HB LYS 39 17.488 10.045 1.298 275 HB3 LYS 39 2HB LYS 39 18.639 10.638 2.488 276 HG2 LYS 39 1HG LYS 39 17.189 8.105 3.056 277 HG3 LYS 39 2HG LYS 39 18.498 8.090 1.872 278 HD2 LYS 39 1HD LYS 39 18.844 9.290 4.605 279 HD3 LYS 39 2HD LYS 39 19.097 7.569 4.304 280 HE2 LYS 39 1HE LYS 39 20.469 9.690 2.679 281 HE3 LYS 39 2HE LYS 39 21.140 9.102 4.199 282 HZ1 LYS 39 3HZ LYS 39 20.456 7.351 1.903 283 HZ2 LYS 39 1HZ LYS 39 21.279 6.908 3.313 284 HZ3 LYS 39 2HZ LYS 39 22.007 7.955 2.203 285 HA PRO 40 HA PRO 40 16.087 14.792 3.388 286 HB2 PRO 40 1HB PRO 40 18.393 15.849 4.357 287 HB3 PRO 40 2HB PRO 40 17.117 15.210 5.399 288 HG2 PRO 40 1HG PRO 40 19.665 13.914 4.514 289 HG3 PRO 40 2HG PRO 40 18.912 13.920 6.119 290 HD2 PRO 40 1HD PRO 40 18.711 11.819 4.423 291 HD3 PRO 40 2HD PRO 40 17.422 12.251 5.564 292 H SER 41 H SER 41 17.232 16.746 2.403 293 HA SER 41 HA SER 41 18.075 16.066 -0.221 294 HB2 SER 41 1HB SER 41 18.476 18.552 -0.432 295 HB3 SER 41 2HB SER 41 16.850 18.104 0.083 296 HG SER 41 HG SER 41 18.243 19.817 1.272 297 H GLY 42 H GLY 42 19.941 14.786 0.025 298 HA2 GLY 42 1HA GLY 42 22.364 16.371 0.569 299 HA3 GLY 42 2HA GLY 42 22.171 14.787 1.305 300 HA PRO 43 HA PRO 43 24.496 14.193 -2.637 301 HB2 PRO 43 1HB PRO 43 26.252 12.406 -1.591 302 HB3 PRO 43 2HB PRO 43 26.493 14.155 -1.502 303 HG2 PRO 43 1HG PRO 43 25.427 12.281 0.575 304 HG3 PRO 43 2HG PRO 43 26.578 13.618 0.759 305 HD2 PRO 43 1HD PRO 43 23.960 13.849 1.411 306 HD3 PRO 43 2HD PRO 43 24.913 15.212 0.792 307 H SER 44 H SER 44 22.597 12.317 -0.557 308 HA SER 44 HA SER 44 22.894 9.731 -1.555 309 HB2 SER 44 1HB SER 44 21.578 10.242 0.453 310 HB3 SER 44 2HB SER 44 20.374 11.069 -0.536 311 HG SER 44 HG SER 44 19.886 8.833 0.027 312 H SER 45 H SER 45 21.938 8.586 -3.208 313 HA SER 45 HA SER 45 20.584 10.211 -5.261 314 HB2 SER 45 1HB SER 45 22.321 7.764 -5.668 315 HB3 SER 45 2HB SER 45 21.549 8.709 -6.941 316 HG SER 45 HG SER 45 23.289 9.873 -6.890 317 H GLY 46 H GLY 46 19.060 9.110 -3.252 318 HA2 GLY 46 1HA GLY 46 17.065 7.969 -3.074 319 HA3 GLY 46 2HA GLY 46 17.238 7.506 -4.760 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.925 -21.303 10.648 2 HA2 GLY 1 1HA GLY 1 7.459 -19.546 12.953 3 HA3 GLY 1 2HA GLY 1 7.196 -18.850 11.360 4 H SER 2 H SER 2 5.636 -18.262 13.639 5 HA SER 2 HA SER 2 3.024 -19.072 12.627 6 HB2 SER 2 1HB SER 2 2.181 -19.792 14.749 7 HB3 SER 2 2HB SER 2 3.688 -20.667 14.475 8 HG SER 2 HG SER 2 4.724 -19.267 15.882 9 H SER 3 H SER 3 1.715 -17.374 12.500 10 HA SER 3 HA SER 3 2.531 -14.870 13.735 11 HB2 SER 3 1HB SER 3 0.671 -15.651 11.535 12 HB3 SER 3 2HB SER 3 0.369 -14.130 12.374 13 HG SER 3 HG SER 3 2.712 -14.913 10.986 14 H GLY 4 H GLY 4 -0.488 -16.763 13.496 15 HA2 GLY 4 1HA GLY 4 -2.378 -16.714 14.826 16 HA3 GLY 4 2HA GLY 4 -1.193 -16.913 16.109 17 H SER 5 H SER 5 -2.295 -14.254 13.999 18 HA SER 5 HA SER 5 -2.994 -12.697 16.359 19 HB2 SER 5 1HB SER 5 -1.710 -10.719 15.491 20 HB3 SER 5 2HB SER 5 -0.694 -12.045 16.057 21 HG SER 5 HG SER 5 -0.052 -12.429 14.061 22 H SER 6 H SER 6 -4.400 -10.947 15.928 23 HA SER 6 HA SER 6 -6.250 -11.402 13.858 24 HB2 SER 6 1HB SER 6 -7.417 -9.498 14.671 25 HB3 SER 6 2HB SER 6 -6.654 -10.223 16.086 26 HG SER 6 HG SER 6 -4.950 -8.666 15.801 27 H GLY 7 H GLY 7 -6.420 -10.648 11.830 28 HA2 GLY 7 1HA GLY 7 -6.091 -8.705 10.327 29 HA3 GLY 7 2HA GLY 7 -4.462 -8.603 10.979 30 H THR 8 H THR 8 -6.637 -10.565 9.019 31 HA THR 8 HA THR 8 -4.440 -12.198 8.045 32 HB THR 8 HB THR 8 -6.535 -13.340 8.419 33 HG1 THR 8 HG1 THR 8 -6.255 -13.069 5.602 34 HG21 THR 8 3HG2 THR 8 -8.542 -12.801 7.092 35 HG22 THR 8 1HG2 THR 8 -7.710 -11.396 6.427 36 HG23 THR 8 2HG2 THR 8 -8.072 -11.473 8.151 37 H GLY 9 H GLY 9 -6.458 -9.541 6.975 38 HA2 GLY 9 1HA GLY 9 -5.222 -8.067 5.351 39 HA3 GLY 9 2HA GLY 9 -4.995 -9.533 4.408 40 H GLU 10 H GLU 10 -6.200 -9.368 2.636 41 HA GLU 10 HA GLU 10 -7.977 -9.039 1.253 42 HB2 GLU 10 1HB GLU 10 -9.339 -9.808 3.821 43 HB3 GLU 10 2HB GLU 10 -10.269 -9.428 2.378 44 HG2 GLU 10 1HG GLU 10 -8.085 -11.474 2.321 45 HG3 GLU 10 2HG GLU 10 -9.712 -11.879 2.864 46 H ARG 11 H ARG 11 -6.844 -6.708 2.143 47 HA ARG 11 HA ARG 11 -9.073 -4.946 2.861 48 HB2 ARG 11 1HB ARG 11 -6.096 -4.721 3.015 49 HB3 ARG 11 2HB ARG 11 -7.054 -3.250 2.907 50 HG2 ARG 11 1HG ARG 11 -8.113 -3.650 4.951 51 HG3 ARG 11 2HG ARG 11 -7.631 -5.348 4.967 52 HD2 ARG 11 1HD ARG 11 -5.260 -4.596 5.158 53 HD3 ARG 11 2HD ARG 11 -5.850 -2.943 5.325 54 HE ARG 11 HE ARG 11 -7.026 -4.744 7.215 55 HH11 ARG 11 1HH1 ARG 11 -4.250 -2.754 6.540 56 HH12 ARG 11 2HH1 ARG 11 -3.827 -2.551 8.208 57 HH21 ARG 11 1HH2 ARG 11 -6.479 -4.485 9.415 58 HH22 ARG 11 2HH2 ARG 11 -5.095 -3.537 9.842 59 HA PRO 12 HA PRO 12 -9.507 -3.271 -1.172 60 HB2 PRO 12 1HB PRO 12 -10.125 -0.687 -0.613 61 HB3 PRO 12 2HB PRO 12 -11.248 -2.024 -0.340 62 HG2 PRO 12 1HG PRO 12 -9.475 -0.611 1.614 63 HG3 PRO 12 2HG PRO 12 -11.162 -1.123 1.802 64 HD2 PRO 12 1HD PRO 12 -9.090 -2.526 2.836 65 HD3 PRO 12 2HD PRO 12 -10.580 -3.305 2.265 66 H TYR 13 H TYR 13 -7.681 -1.092 0.985 67 HA TYR 13 HA TYR 13 -6.067 -0.220 -1.292 68 HB2 TYR 13 1HB TYR 13 -5.798 0.842 1.505 69 HB3 TYR 13 2HB TYR 13 -5.440 1.645 -0.019 70 HD1 TYR 13 HD1 TYR 13 -7.341 2.397 -1.477 71 HD2 TYR 13 HD2 TYR 13 -7.941 0.995 2.495 72 HE1 TYR 13 HE1 TYR 13 -9.562 3.453 -1.446 73 HE2 TYR 13 HE2 TYR 13 -10.164 2.047 2.537 74 HH TYR 13 HH TYR 13 -11.143 4.347 0.721 75 H ILE 14 H ILE 14 -3.987 -0.771 -1.570 76 HA ILE 14 HA ILE 14 -2.471 -1.931 0.633 77 HB ILE 14 HB ILE 14 -2.918 -3.398 -1.970 78 HG12 ILE 14 1HG1 ILE 14 -3.578 -5.185 -0.117 79 HG13 ILE 14 2HG1 ILE 14 -3.918 -3.735 0.822 80 HG21 ILE 14 1HG2 ILE 14 -0.594 -3.551 -1.210 81 HG22 ILE 14 2HG2 ILE 14 -1.150 -4.124 0.362 82 HG23 ILE 14 3HG2 ILE 14 -1.425 -5.101 -1.079 83 HD11 ILE 14 3HD1 ILE 14 -5.841 -3.442 -0.226 84 HD12 ILE 14 1HD1 ILE 14 -5.058 -3.518 -1.803 85 HD13 ILE 14 2HD1 ILE 14 -5.588 -5.002 -1.010 86 H CYS 15 H CYS 15 -0.534 -1.020 0.652 87 HA CYS 15 HA CYS 15 0.413 0.697 -1.347 88 HB2 CYS 15 1HB CYS 15 1.091 0.684 1.085 89 HB3 CYS 15 2HB CYS 15 2.113 -0.703 0.721 90 H THR 16 H THR 16 1.331 0.303 -3.241 91 HA THR 16 HA THR 16 2.114 -2.401 -3.935 92 HB THR 16 HB THR 16 2.550 -1.368 -6.211 93 HG1 THR 16 HG1 THR 16 2.805 0.780 -5.752 94 HG21 THR 16 3HG2 THR 16 0.524 -2.469 -6.115 95 HG22 THR 16 1HG2 THR 16 0.001 -0.830 -6.502 96 HG23 THR 16 2HG2 THR 16 -0.107 -1.421 -4.844 97 H VAL 17 H VAL 17 3.618 0.462 -2.851 98 HA VAL 17 HA VAL 17 6.148 0.207 -4.084 99 HB VAL 17 HB VAL 17 5.432 1.484 -1.441 100 HG11 VAL 17 1HG1 VAL 17 7.671 1.469 -1.183 101 HG12 VAL 17 2HG1 VAL 17 7.974 1.199 -2.900 102 HG13 VAL 17 3HG1 VAL 17 7.608 2.822 -2.312 103 HG21 VAL 17 3HG2 VAL 17 4.253 2.749 -2.941 104 HG22 VAL 17 1HG2 VAL 17 5.816 3.562 -3.019 105 HG23 VAL 17 2HG2 VAL 17 5.359 2.405 -4.270 106 H CYS 18 H CYS 18 5.066 -0.709 -0.810 107 HA CYS 18 HA CYS 18 7.400 -2.483 -0.610 108 HB2 CYS 18 1HB CYS 18 6.979 -2.467 1.819 109 HB3 CYS 18 2HB CYS 18 7.218 -0.842 1.186 110 H GLY 19 H GLY 19 3.892 -2.378 -0.094 111 HA2 GLY 19 1HA GLY 19 2.655 -4.326 -0.992 112 HA3 GLY 19 2HA GLY 19 3.892 -5.330 -0.251 113 H LYS 20 H LYS 20 2.670 -2.516 1.387 114 HA LYS 20 HA LYS 20 1.627 -4.228 3.498 115 HB2 LYS 20 1HB LYS 20 3.139 -2.189 3.870 116 HB3 LYS 20 2HB LYS 20 1.714 -1.217 3.524 117 HG2 LYS 20 1HG LYS 20 0.592 -1.977 5.432 118 HG3 LYS 20 2HG LYS 20 1.698 -3.336 5.646 119 HD2 LYS 20 1HD LYS 20 3.515 -1.724 6.132 120 HD3 LYS 20 2HD LYS 20 2.340 -0.410 6.020 121 HE2 LYS 20 1HE LYS 20 1.162 -1.177 7.921 122 HE3 LYS 20 2HE LYS 20 2.007 -2.725 7.911 123 HZ1 LYS 20 3HZ LYS 20 3.235 -1.720 9.486 124 HZ2 LYS 20 1HZ LYS 20 2.856 -0.156 8.963 125 HZ3 LYS 20 2HZ LYS 20 4.053 -1.047 8.167 126 H ALA 21 H ALA 21 -0.469 -3.851 4.452 127 HA ALA 21 HA ALA 21 -2.434 -2.887 2.478 128 HB1 ALA 21 3HB ALA 21 -3.228 -4.749 4.658 129 HB2 ALA 21 1HB ALA 21 -3.861 -4.588 3.020 130 HB3 ALA 21 2HB ALA 21 -2.313 -5.388 3.293 131 H PHE 22 H PHE 22 -4.323 -1.816 3.271 132 HA PHE 22 HA PHE 22 -4.297 -0.895 6.030 133 HB2 PHE 22 1HB PHE 22 -4.098 0.986 3.671 134 HB3 PHE 22 2HB PHE 22 -4.513 1.493 5.305 135 HD1 PHE 22 HD2 PHE 22 -1.848 0.188 3.148 136 HD2 PHE 22 HD1 PHE 22 -2.851 1.655 7.015 137 HE1 PHE 22 HE2 PHE 22 0.544 0.415 3.678 138 HE2 PHE 22 HE1 PHE 22 -0.460 1.885 7.551 139 HZ PHE 22 HZ PHE 22 1.240 1.264 5.882 140 H THR 23 H THR 23 -6.293 -0.152 6.765 141 HA THR 23 HA THR 23 -8.560 -1.194 5.378 142 HB THR 23 HB THR 23 -9.867 -0.117 7.251 143 HG1 THR 23 HG1 THR 23 -7.434 0.325 8.578 144 HG21 THR 23 3HG2 THR 23 -9.218 -1.735 8.866 145 HG22 THR 23 1HG2 THR 23 -7.571 -1.800 8.241 146 HG23 THR 23 2HG2 THR 23 -8.902 -2.456 7.287 147 H ASP 24 H ASP 24 -7.427 2.085 6.139 148 HA ASP 24 HA ASP 24 -9.376 3.124 4.187 149 HB2 ASP 24 1HB ASP 24 -8.361 4.195 6.779 150 HB3 ASP 24 2HB ASP 24 -8.749 5.348 5.505 151 H ARG 25 H ARG 25 -8.687 4.447 2.560 152 HA ARG 25 HA ARG 25 -6.113 4.186 1.569 153 HB2 ARG 25 1HB ARG 25 -6.682 6.064 0.059 154 HB3 ARG 25 2HB ARG 25 -7.955 4.854 0.149 155 HG2 ARG 25 1HG ARG 25 -9.314 6.244 1.491 156 HG3 ARG 25 2HG ARG 25 -7.988 7.370 1.788 157 HD2 ARG 25 1HD ARG 25 -8.041 8.171 -0.432 158 HD3 ARG 25 2HD ARG 25 -9.061 6.836 -0.968 159 HE ARG 25 HE ARG 25 -10.599 8.078 0.873 160 HH11 ARG 25 1HH1 ARG 25 -8.849 9.198 -1.921 161 HH12 ARG 25 2HH1 ARG 25 -9.951 10.492 -2.255 162 HH21 ARG 25 1HH2 ARG 25 -12.057 9.779 0.444 163 HH22 ARG 25 2HH2 ARG 25 -11.775 10.823 -0.908 164 H SER 26 H SER 26 -7.487 6.719 3.606 165 HA SER 26 HA SER 26 -5.560 8.654 3.524 166 HB2 SER 26 1HB SER 26 -7.205 7.634 5.835 167 HB3 SER 26 2HB SER 26 -6.117 9.011 6.006 168 HG SER 26 HG SER 26 -8.477 8.773 4.517 169 H ASN 27 H ASN 27 -5.583 5.988 5.898 170 HA ASN 27 HA ASN 27 -3.104 6.439 7.024 171 HB2 ASN 27 1HB ASN 27 -4.440 3.769 6.523 172 HB3 ASN 27 2HB ASN 27 -3.123 4.051 7.658 173 HD21 ASN 27 1HD2 ASN 27 -5.591 2.971 8.378 174 HD22 ASN 27 2HD2 ASN 27 -6.391 4.083 9.431 175 H LEU 28 H LEU 28 -3.908 4.673 4.077 176 HA LEU 28 HA LEU 28 -1.348 3.606 3.582 177 HB2 LEU 28 1HB LEU 28 -3.266 2.733 2.443 178 HB3 LEU 28 2HB LEU 28 -3.613 4.305 1.724 179 HG LEU 28 HG LEU 28 -1.527 4.112 0.402 180 HD11 LEU 28 1HD1 LEU 28 -1.034 1.965 2.194 181 HD12 LEU 28 2HD1 LEU 28 0.012 2.612 0.931 182 HD13 LEU 28 3HD1 LEU 28 -1.122 1.314 0.557 183 HD21 LEU 28 3HD2 LEU 28 -2.573 2.981 -1.261 184 HD22 LEU 28 1HD2 LEU 28 -3.942 3.118 -0.157 185 HD23 LEU 28 2HD2 LEU 28 -3.006 1.625 -0.219 186 H ILE 29 H ILE 29 -2.931 6.525 2.290 187 HA ILE 29 HA ILE 29 -0.894 7.463 0.683 188 HB ILE 29 HB ILE 29 -2.729 9.159 2.380 189 HG12 ILE 29 1HG1 ILE 29 -3.215 8.515 -0.502 190 HG13 ILE 29 2HG1 ILE 29 -3.661 7.334 0.724 191 HG21 ILE 29 1HG2 ILE 29 -2.352 10.898 0.752 192 HG22 ILE 29 2HG2 ILE 29 -0.804 10.359 1.401 193 HG23 ILE 29 3HG2 ILE 29 -1.321 9.829 -0.199 194 HD11 ILE 29 3HD1 ILE 29 -5.470 8.482 1.308 195 HD12 ILE 29 1HD1 ILE 29 -4.591 10.010 1.358 196 HD13 ILE 29 2HD1 ILE 29 -5.219 9.403 -0.175 197 H LYS 30 H LYS 30 -1.399 8.088 4.145 198 HA LYS 30 HA LYS 30 0.890 9.729 4.458 199 HB2 LYS 30 1HB LYS 30 -0.874 9.880 6.074 200 HB3 LYS 30 2HB LYS 30 -0.764 8.164 6.440 201 HG2 LYS 30 1HG LYS 30 1.643 9.846 6.881 202 HG3 LYS 30 2HG LYS 30 0.297 9.990 8.014 203 HD2 LYS 30 1HD LYS 30 1.265 7.270 7.274 204 HD3 LYS 30 2HD LYS 30 2.223 8.234 8.400 205 HE2 LYS 30 1HE LYS 30 -0.727 7.821 8.781 206 HE3 LYS 30 2HE LYS 30 0.455 6.655 9.373 207 HZ1 LYS 30 3HZ LYS 30 1.318 8.168 10.875 208 HZ2 LYS 30 1HZ LYS 30 -0.340 8.502 10.940 209 HZ3 LYS 30 2HZ LYS 30 0.693 9.513 10.060 210 H HIS 31 H HIS 31 0.340 6.273 4.678 211 HA HIS 31 HA HIS 31 2.800 5.601 5.912 212 HB2 HIS 31 1HB HIS 31 1.269 3.878 6.060 213 HB3 HIS 31 2HB HIS 31 0.697 4.102 4.409 214 HD1 HIS 31 HD1 HIS 31 3.584 2.604 6.326 215 HD2 HIS 31 HD2 HIS 31 1.904 2.505 2.528 216 HE1 HIS 31 HE1 HIS 31 4.782 0.758 5.109 217 H GLN 32 H GLN 32 1.783 5.889 2.542 218 HA GLN 32 HA GLN 32 4.063 4.835 1.323 219 HB2 GLN 32 1HB GLN 32 2.039 6.876 0.437 220 HB3 GLN 32 2HB GLN 32 3.387 6.416 -0.595 221 HG2 GLN 32 1HG GLN 32 2.644 4.092 -0.538 222 HG3 GLN 32 2HG GLN 32 1.295 4.550 0.501 223 HE21 GLN 32 1HE2 GLN 32 -0.391 5.798 -0.365 224 HE22 GLN 32 2HE2 GLN 32 -0.666 5.884 -2.068 225 H LYS 33 H LYS 33 3.676 7.693 3.117 226 HA LYS 33 HA LYS 33 5.581 9.366 1.884 227 HB2 LYS 33 1HB LYS 33 4.724 9.239 4.782 228 HB3 LYS 33 2HB LYS 33 5.630 10.557 4.050 229 HG2 LYS 33 1HG LYS 33 2.921 9.716 3.066 230 HG3 LYS 33 2HG LYS 33 3.148 10.915 4.342 231 HD2 LYS 33 1HD LYS 33 4.092 12.456 2.908 232 HD3 LYS 33 2HD LYS 33 4.622 11.222 1.763 233 HE2 LYS 33 1HE LYS 33 2.418 10.926 0.932 234 HE3 LYS 33 2HE LYS 33 1.724 11.871 2.248 235 HZ1 LYS 33 3HZ LYS 33 1.762 13.491 0.711 236 HZ2 LYS 33 1HZ LYS 33 2.980 12.763 -0.210 237 HZ3 LYS 33 2HZ LYS 33 3.382 13.653 1.171 238 H ILE 34 H ILE 34 5.909 6.546 3.805 239 HA ILE 34 HA ILE 34 8.548 7.093 4.786 240 HB ILE 34 HB ILE 34 8.522 4.982 5.752 241 HG12 ILE 34 1HG1 ILE 34 6.511 4.143 3.652 242 HG13 ILE 34 2HG1 ILE 34 8.210 3.686 3.703 243 HG21 ILE 34 1HG2 ILE 34 6.789 5.372 7.082 244 HG22 ILE 34 2HG2 ILE 34 6.196 6.539 5.902 245 HG23 ILE 34 3HG2 ILE 34 5.657 4.862 5.830 246 HD11 ILE 34 3HD1 ILE 34 6.911 1.855 4.491 247 HD12 ILE 34 1HD1 ILE 34 7.767 2.549 5.868 248 HD13 ILE 34 2HD1 ILE 34 6.052 2.887 5.634 249 H HIS 35 H HIS 35 7.382 6.398 1.758 250 HA HIS 35 HA HIS 35 9.814 4.967 0.939 251 HB2 HIS 35 1HB HIS 35 7.270 5.408 -0.637 252 HB3 HIS 35 2HB HIS 35 8.622 4.377 -1.095 253 HD1 HIS 35 HD1 HIS 35 9.095 2.646 1.251 254 HD2 HIS 35 HD2 HIS 35 5.263 3.775 0.112 255 HE1 HIS 35 HE1 HIS 35 7.562 0.917 2.243 256 H THR 36 H THR 36 8.223 7.997 0.792 257 HA THR 36 HA THR 36 9.542 8.956 -1.575 258 HB THR 36 HB THR 36 8.556 11.087 -1.104 259 HG1 THR 36 HG1 THR 36 7.319 11.186 1.007 260 HG21 THR 36 3HG2 THR 36 6.541 10.344 -1.699 261 HG22 THR 36 1HG2 THR 36 6.245 9.721 -0.076 262 HG23 THR 36 2HG2 THR 36 7.061 8.714 -1.272 263 H GLY 37 H GLY 37 10.053 9.196 1.909 264 HA2 GLY 37 1HA GLY 37 12.463 10.812 1.441 265 HA3 GLY 37 2HA GLY 37 11.662 10.590 2.990 266 H GLU 38 H GLU 38 14.393 9.889 1.401 267 HA GLU 38 HA GLU 38 14.712 7.263 2.697 268 HB2 GLU 38 1HB GLU 38 16.062 8.460 0.281 269 HB3 GLU 38 2HB GLU 38 16.684 7.035 1.101 270 HG2 GLU 38 1HG GLU 38 14.207 6.191 0.745 271 HG3 GLU 38 2HG GLU 38 14.259 7.357 -0.575 272 H LYS 39 H LYS 39 16.753 6.805 3.711 273 HA LYS 39 HA LYS 39 18.074 9.233 4.731 274 HB2 LYS 39 1HB LYS 39 18.602 7.915 6.753 275 HB3 LYS 39 2HB LYS 39 16.871 8.066 6.486 276 HG2 LYS 39 1HG LYS 39 16.876 5.802 5.480 277 HG3 LYS 39 2HG LYS 39 18.583 5.659 5.905 278 HD2 LYS 39 1HD LYS 39 17.659 4.662 7.738 279 HD3 LYS 39 2HD LYS 39 17.662 6.336 8.297 280 HE2 LYS 39 1HE LYS 39 15.297 6.376 7.145 281 HE3 LYS 39 2HE LYS 39 15.390 4.632 7.392 282 HZ1 LYS 39 3HZ LYS 39 15.613 4.941 9.720 283 HZ2 LYS 39 1HZ LYS 39 14.304 5.892 9.225 284 HZ3 LYS 39 2HZ LYS 39 15.796 6.615 9.560 285 HA PRO 40 HA PRO 40 21.912 7.874 3.086 286 HB2 PRO 40 1HB PRO 40 23.640 8.868 4.928 287 HB3 PRO 40 2HB PRO 40 22.777 9.889 3.771 288 HG2 PRO 40 1HG PRO 40 22.147 9.331 6.644 289 HG3 PRO 40 2HG PRO 40 22.095 10.871 5.766 290 HD2 PRO 40 1HD PRO 40 19.872 9.417 6.288 291 HD3 PRO 40 2HD PRO 40 20.041 10.411 4.827 292 H SER 41 H SER 41 20.555 6.502 5.753 293 HA SER 41 HA SER 41 22.799 5.017 6.753 294 HB2 SER 41 1HB SER 41 20.713 5.618 8.076 295 HB3 SER 41 2HB SER 41 19.878 4.362 7.162 296 HG SER 41 HG SER 41 22.252 3.896 8.638 297 H GLY 42 H GLY 42 23.619 3.182 5.983 298 HA2 GLY 42 1HA GLY 42 21.931 1.395 4.394 299 HA3 GLY 42 2HA GLY 42 23.374 2.041 3.627 300 HA PRO 43 HA PRO 43 25.883 -1.104 5.358 301 HB2 PRO 43 1HB PRO 43 28.092 0.214 6.225 302 HB3 PRO 43 2HB PRO 43 27.725 -0.023 4.512 303 HG2 PRO 43 1HG PRO 43 27.266 2.384 6.233 304 HG3 PRO 43 2HG PRO 43 27.890 2.296 4.575 305 HD2 PRO 43 1HD PRO 43 25.322 2.950 5.133 306 HD3 PRO 43 2HD PRO 43 25.786 2.072 3.662 307 H SER 44 H SER 44 24.366 1.063 7.318 308 HA SER 44 HA SER 44 25.381 1.170 9.778 309 HB2 SER 44 1HB SER 44 23.172 1.100 10.696 310 HB3 SER 44 2HB SER 44 23.029 1.800 9.084 311 HG SER 44 HG SER 44 21.621 0.278 8.770 312 H SER 45 H SER 45 25.647 -0.118 11.595 313 HA SER 45 HA SER 45 26.749 -2.540 11.465 314 HB2 SER 45 1HB SER 45 24.986 -1.359 13.586 315 HB3 SER 45 2HB SER 45 25.612 -2.995 13.781 316 HG SER 45 HG SER 45 27.101 -0.605 13.448 317 H GLY 46 H GLY 46 26.192 -4.687 11.360 318 HA2 GLY 46 1HA GLY 46 23.959 -5.429 9.874 319 HA3 GLY 46 2HA GLY 46 24.933 -6.532 10.834 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.097 -11.389 4.587 2 HA2 GLY 1 1HA GLY 1 12.471 -12.952 5.097 3 HA3 GLY 1 2HA GLY 1 11.175 -12.617 6.235 4 H SER 2 H SER 2 11.178 -14.782 6.937 5 HA SER 2 HA SER 2 10.752 -16.946 5.117 6 HB2 SER 2 1HB SER 2 11.882 -17.233 7.308 7 HB3 SER 2 2HB SER 2 10.357 -16.877 8.119 8 HG SER 2 HG SER 2 10.901 -19.058 6.386 9 H SER 3 H SER 3 8.908 -16.371 3.928 10 HA SER 3 HA SER 3 6.400 -15.916 5.294 11 HB2 SER 3 1HB SER 3 7.061 -14.791 3.122 12 HB3 SER 3 2HB SER 3 6.820 -16.350 2.332 13 HG SER 3 HG SER 3 4.653 -16.108 3.597 14 H GLY 4 H GLY 4 5.218 -17.525 6.072 15 HA2 GLY 4 1HA GLY 4 4.898 -19.957 4.474 16 HA3 GLY 4 2HA GLY 4 5.499 -20.137 6.116 17 H SER 5 H SER 5 4.124 -19.624 7.874 18 HA SER 5 HA SER 5 1.313 -20.034 7.238 19 HB2 SER 5 1HB SER 5 2.859 -20.100 9.834 20 HB3 SER 5 2HB SER 5 1.106 -20.280 9.752 21 HG SER 5 HG SER 5 1.857 -21.980 8.044 22 H SER 6 H SER 6 0.220 -18.240 6.752 23 HA SER 6 HA SER 6 0.167 -16.079 8.704 24 HB2 SER 6 1HB SER 6 1.843 -15.236 7.212 25 HB3 SER 6 2HB SER 6 0.893 -15.685 5.796 26 HG SER 6 HG SER 6 0.876 -13.382 6.627 27 H GLY 7 H GLY 7 -1.854 -15.406 9.046 28 HA2 GLY 7 1HA GLY 7 -4.081 -16.619 7.923 29 HA3 GLY 7 2HA GLY 7 -4.110 -15.081 8.773 30 H THR 8 H THR 8 -5.933 -15.114 6.980 31 HA THR 8 HA THR 8 -4.806 -13.845 4.568 32 HB THR 8 HB THR 8 -6.024 -15.927 4.068 33 HG1 THR 8 HG1 THR 8 -6.256 -14.626 2.372 34 HG21 THR 8 3HG2 THR 8 -7.612 -16.011 5.862 35 HG22 THR 8 1HG2 THR 8 -8.512 -15.920 4.348 36 HG23 THR 8 2HG2 THR 8 -8.338 -14.485 5.359 37 H GLY 9 H GLY 9 -6.094 -12.112 3.614 38 HA2 GLY 9 1HA GLY 9 -8.299 -10.859 4.598 39 HA3 GLY 9 2HA GLY 9 -7.010 -10.288 5.647 40 H GLU 10 H GLU 10 -7.886 -10.598 2.217 41 HA GLU 10 HA GLU 10 -5.967 -8.697 1.325 42 HB2 GLU 10 1HB GLU 10 -7.297 -10.555 0.019 43 HB3 GLU 10 2HB GLU 10 -8.469 -9.266 -0.212 44 HG2 GLU 10 1HG GLU 10 -6.828 -9.549 -2.068 45 HG3 GLU 10 2HG GLU 10 -6.903 -7.928 -1.381 46 H ARG 11 H ARG 11 -6.103 -6.538 1.060 47 HA ARG 11 HA ARG 11 -8.641 -5.247 1.818 48 HB2 ARG 11 1HB ARG 11 -5.829 -4.219 2.242 49 HB3 ARG 11 2HB ARG 11 -7.307 -3.376 2.686 50 HG2 ARG 11 1HG ARG 11 -7.737 -5.614 4.037 51 HG3 ARG 11 2HG ARG 11 -5.974 -5.685 3.978 52 HD2 ARG 11 1HD ARG 11 -6.229 -4.469 5.888 53 HD3 ARG 11 2HD ARG 11 -6.215 -3.154 4.714 54 HE ARG 11 HE ARG 11 -8.424 -2.747 5.184 55 HH11 ARG 11 1HH1 ARG 11 -7.501 -5.826 6.520 56 HH12 ARG 11 2HH1 ARG 11 -8.972 -6.027 7.414 57 HH21 ARG 11 1HH2 ARG 11 -10.365 -2.999 6.356 58 HH22 ARG 11 2HH2 ARG 11 -10.600 -4.418 7.319 59 HA PRO 12 HA PRO 12 -8.714 -3.196 -2.063 60 HB2 PRO 12 1HB PRO 12 -9.912 -0.856 -1.387 61 HB3 PRO 12 2HB PRO 12 -10.780 -2.393 -1.460 62 HG2 PRO 12 1HG PRO 12 -9.672 -0.955 0.920 63 HG3 PRO 12 2HG PRO 12 -11.233 -1.775 0.736 64 HD2 PRO 12 1HD PRO 12 -9.129 -2.914 2.005 65 HD3 PRO 12 2HD PRO 12 -10.320 -3.862 1.091 66 H TYR 13 H TYR 13 -7.439 -1.364 0.679 67 HA TYR 13 HA TYR 13 -5.866 0.298 -1.154 68 HB2 TYR 13 1HB TYR 13 -6.033 0.643 1.834 69 HB3 TYR 13 2HB TYR 13 -5.584 1.836 0.620 70 HD1 TYR 13 HD1 TYR 13 -7.502 2.319 -1.169 71 HD2 TYR 13 HD2 TYR 13 -8.146 0.783 2.746 72 HE1 TYR 13 HE1 TYR 13 -9.824 3.126 -1.241 73 HE2 TYR 13 HE2 TYR 13 -10.471 1.584 2.685 74 HH TYR 13 HH TYR 13 -12.186 2.104 0.661 75 H ILE 14 H ILE 14 -4.105 -0.854 -1.742 76 HA ILE 14 HA ILE 14 -2.398 -1.891 0.426 77 HB ILE 14 HB ILE 14 -2.253 -2.941 -2.380 78 HG12 ILE 14 1HG1 ILE 14 -4.532 -3.348 -1.883 79 HG13 ILE 14 2HG1 ILE 14 -3.701 -4.853 -1.506 80 HG21 ILE 14 1HG2 ILE 14 -1.692 -4.370 0.200 81 HG22 ILE 14 2HG2 ILE 14 -1.128 -4.764 -1.423 82 HG23 ILE 14 3HG2 ILE 14 -0.487 -3.350 -0.586 83 HD11 ILE 14 3HD1 ILE 14 -3.651 -3.447 0.872 84 HD12 ILE 14 1HD1 ILE 14 -5.247 -3.113 0.202 85 HD13 ILE 14 2HD1 ILE 14 -4.728 -4.779 0.456 86 H CYS 15 H CYS 15 -0.149 -1.625 0.215 87 HA CYS 15 HA CYS 15 0.599 0.735 -1.301 88 HB2 CYS 15 1HB CYS 15 1.294 0.497 1.057 89 HB3 CYS 15 2HB CYS 15 2.223 -0.936 0.629 90 H THR 16 H THR 16 1.249 0.525 -3.331 91 HA THR 16 HA THR 16 2.334 -1.975 -4.308 92 HB THR 16 HB THR 16 0.731 -0.618 -5.660 93 HG1 THR 16 HG1 THR 16 2.076 -0.789 -7.618 94 HG21 THR 16 3HG2 THR 16 2.982 1.196 -6.403 95 HG22 THR 16 1HG2 THR 16 2.028 1.559 -4.966 96 HG23 THR 16 2HG2 THR 16 1.243 1.449 -6.541 97 H VAL 17 H VAL 17 3.891 -0.432 -2.359 98 HA VAL 17 HA VAL 17 6.299 0.041 -3.995 99 HB VAL 17 HB VAL 17 5.548 1.437 -1.422 100 HG11 VAL 17 1HG1 VAL 17 7.962 1.757 -3.203 101 HG12 VAL 17 2HG1 VAL 17 7.564 2.788 -1.827 102 HG13 VAL 17 3HG1 VAL 17 7.944 1.084 -1.573 103 HG21 VAL 17 3HG2 VAL 17 4.278 2.598 -2.904 104 HG22 VAL 17 1HG2 VAL 17 5.813 3.417 -3.192 105 HG23 VAL 17 2HG2 VAL 17 5.275 2.143 -4.285 106 H CYS 18 H CYS 18 5.094 -0.957 -0.808 107 HA CYS 18 HA CYS 18 7.551 -2.547 -0.466 108 HB2 CYS 18 1HB CYS 18 7.172 -2.391 1.959 109 HB3 CYS 18 2HB CYS 18 7.336 -0.796 1.230 110 H GLY 19 H GLY 19 4.041 -2.499 -0.065 111 HA2 GLY 19 1HA GLY 19 2.796 -4.476 -0.734 112 HA3 GLY 19 2HA GLY 19 4.103 -5.450 -0.076 113 H LYS 20 H LYS 20 2.013 -2.812 1.111 114 HA LYS 20 HA LYS 20 1.425 -4.488 3.462 115 HB2 LYS 20 1HB LYS 20 2.248 -1.637 3.266 116 HB3 LYS 20 2HB LYS 20 1.051 -2.048 4.487 117 HG2 LYS 20 1HG LYS 20 2.562 -3.643 5.488 118 HG3 LYS 20 2HG LYS 20 3.750 -3.354 4.215 119 HD2 LYS 20 1HD LYS 20 3.491 -0.854 5.027 120 HD3 LYS 20 2HD LYS 20 2.970 -1.638 6.520 121 HE2 LYS 20 1HE LYS 20 5.532 -2.328 5.098 122 HE3 LYS 20 2HE LYS 20 5.429 -1.100 6.359 123 HZ1 LYS 20 3HZ LYS 20 4.896 -2.685 7.959 124 HZ2 LYS 20 1HZ LYS 20 6.101 -3.440 7.043 125 HZ3 LYS 20 2HZ LYS 20 4.478 -3.860 6.816 126 H ALA 21 H ALA 21 -0.609 -3.685 4.621 127 HA ALA 21 HA ALA 21 -2.638 -2.928 2.620 128 HB1 ALA 21 3HB ALA 21 -3.550 -4.929 2.965 129 HB2 ALA 21 1HB ALA 21 -2.487 -5.256 4.334 130 HB3 ALA 21 2HB ALA 21 -3.985 -4.358 4.576 131 H PHE 22 H PHE 22 -4.512 -1.811 3.446 132 HA PHE 22 HA PHE 22 -4.407 -0.730 6.126 133 HB2 PHE 22 1HB PHE 22 -4.310 1.190 3.797 134 HB3 PHE 22 2HB PHE 22 -4.242 1.581 5.512 135 HD1 PHE 22 HD2 PHE 22 -2.393 -0.265 2.866 136 HD2 PHE 22 HD1 PHE 22 -2.194 1.856 6.550 137 HE1 PHE 22 HE2 PHE 22 0.064 -0.360 2.783 138 HE2 PHE 22 HE1 PHE 22 0.263 1.766 6.474 139 HZ PHE 22 HZ PHE 22 1.395 0.656 4.589 140 H THR 23 H THR 23 -6.383 -0.102 6.861 141 HA THR 23 HA THR 23 -8.658 -0.798 5.231 142 HB THR 23 HB THR 23 -8.711 0.408 7.999 143 HG1 THR 23 HG1 THR 23 -8.987 -2.013 8.457 144 HG21 THR 23 3HG2 THR 23 -10.885 0.430 7.118 145 HG22 THR 23 1HG2 THR 23 -10.821 -1.053 8.070 146 HG23 THR 23 2HG2 THR 23 -10.672 -1.124 6.314 147 H ASP 24 H ASP 24 -7.316 2.143 6.667 148 HA ASP 24 HA ASP 24 -9.387 3.748 5.367 149 HB2 ASP 24 1HB ASP 24 -8.540 4.044 7.821 150 HB3 ASP 24 2HB ASP 24 -7.196 4.894 7.065 151 H ARG 25 H ARG 25 -8.990 4.271 3.321 152 HA ARG 25 HA ARG 25 -6.766 4.091 1.831 153 HB2 ARG 25 1HB ARG 25 -8.706 4.764 0.701 154 HB3 ARG 25 2HB ARG 25 -8.953 6.147 1.759 155 HG2 ARG 25 1HG ARG 25 -7.158 7.341 0.743 156 HG3 ARG 25 2HG ARG 25 -6.659 5.916 -0.172 157 HD2 ARG 25 1HD ARG 25 -9.343 7.251 -0.473 158 HD3 ARG 25 2HD ARG 25 -7.947 7.622 -1.482 159 HE ARG 25 HE ARG 25 -9.671 5.371 -1.718 160 HH11 ARG 25 1HH1 ARG 25 -6.371 6.407 -2.120 161 HH12 ARG 25 2HH1 ARG 25 -6.007 5.216 -3.324 162 HH21 ARG 25 1HH2 ARG 25 -9.203 3.798 -3.302 163 HH22 ARG 25 2HH2 ARG 25 -7.618 3.733 -3.996 164 H SER 26 H SER 26 -7.499 6.722 4.058 165 HA SER 26 HA SER 26 -5.403 8.447 3.351 166 HB2 SER 26 1HB SER 26 -6.938 8.054 5.917 167 HB3 SER 26 2HB SER 26 -5.676 9.276 5.764 168 HG SER 26 HG SER 26 -7.020 9.804 3.735 169 H ASN 27 H ASN 27 -5.566 5.939 5.869 170 HA ASN 27 HA ASN 27 -3.027 6.253 6.940 171 HB2 ASN 27 1HB ASN 27 -4.897 3.922 6.710 172 HB3 ASN 27 2HB ASN 27 -3.274 3.670 7.345 173 HD21 ASN 27 1HD2 ASN 27 -3.199 3.696 9.459 174 HD22 ASN 27 2HD2 ASN 27 -4.181 4.657 10.508 175 H LEU 28 H LEU 28 -4.019 4.797 3.943 176 HA LEU 28 HA LEU 28 -1.538 3.426 3.471 177 HB2 LEU 28 1HB LEU 28 -3.455 2.498 2.451 178 HB3 LEU 28 2HB LEU 28 -3.931 4.050 1.764 179 HG LEU 28 HG LEU 28 -1.899 3.912 0.293 180 HD11 LEU 28 1HD1 LEU 28 -0.562 2.356 1.537 181 HD12 LEU 28 2HD1 LEU 28 -0.949 1.642 -0.028 182 HD13 LEU 28 3HD1 LEU 28 -1.812 1.117 1.417 183 HD21 LEU 28 3HD2 LEU 28 -4.308 3.194 -0.271 184 HD22 LEU 28 1HD2 LEU 28 -3.684 1.548 -0.154 185 HD23 LEU 28 2HD2 LEU 28 -3.002 2.668 -1.333 186 H ILE 29 H ILE 29 -3.002 6.474 2.457 187 HA ILE 29 HA ILE 29 -0.914 7.178 0.647 188 HB ILE 29 HB ILE 29 -2.854 9.048 2.006 189 HG12 ILE 29 1HG1 ILE 29 -3.254 7.836 -0.716 190 HG13 ILE 29 2HG1 ILE 29 -3.812 7.001 0.730 191 HG21 ILE 29 1HG2 ILE 29 -2.395 10.575 0.284 192 HG22 ILE 29 2HG2 ILE 29 -0.819 9.950 0.766 193 HG23 ILE 29 3HG2 ILE 29 -1.592 9.352 -0.702 194 HD11 ILE 29 3HD1 ILE 29 -5.384 8.604 -0.628 195 HD12 ILE 29 1HD1 ILE 29 -5.463 8.516 1.131 196 HD13 ILE 29 2HD1 ILE 29 -4.595 9.839 0.352 197 H LYS 30 H LYS 30 -1.501 7.683 4.059 198 HA LYS 30 HA LYS 30 0.607 9.614 4.378 199 HB2 LYS 30 1HB LYS 30 -0.067 9.786 6.570 200 HB3 LYS 30 2HB LYS 30 -1.551 9.200 5.830 201 HG2 LYS 30 1HG LYS 30 -0.924 6.901 6.503 202 HG3 LYS 30 2HG LYS 30 0.477 7.569 7.344 203 HD2 LYS 30 1HD LYS 30 -2.309 8.527 7.924 204 HD3 LYS 30 2HD LYS 30 -1.640 7.099 8.717 205 HE2 LYS 30 1HE LYS 30 -1.031 8.688 10.234 206 HE3 LYS 30 2HE LYS 30 0.378 8.748 9.174 207 HZ1 LYS 30 3HZ LYS 30 -1.644 10.742 9.654 208 HZ2 LYS 30 1HZ LYS 30 -1.307 10.504 8.013 209 HZ3 LYS 30 2HZ LYS 30 -0.062 10.920 9.080 210 H HIS 31 H HIS 31 0.353 6.182 4.358 211 HA HIS 31 HA HIS 31 2.775 5.710 5.849 212 HB2 HIS 31 1HB HIS 31 1.376 3.898 6.085 213 HB3 HIS 31 2HB HIS 31 0.766 4.018 4.437 214 HD1 HIS 31 HD1 HIS 31 3.557 2.560 6.452 215 HD2 HIS 31 HD2 HIS 31 2.237 2.619 2.513 216 HE1 HIS 31 HE1 HIS 31 4.890 0.785 5.269 217 H GLN 32 H GLN 32 1.789 5.629 2.447 218 HA GLN 32 HA GLN 32 4.125 4.668 1.312 219 HB2 GLN 32 1HB GLN 32 2.073 6.623 0.293 220 HB3 GLN 32 2HB GLN 32 3.427 6.095 -0.696 221 HG2 GLN 32 1HG GLN 32 2.685 3.835 -0.644 222 HG3 GLN 32 2HG GLN 32 1.457 4.208 0.565 223 HE21 GLN 32 1HE2 GLN 32 1.258 3.045 -2.143 224 HE22 GLN 32 2HE2 GLN 32 0.130 4.044 -2.989 225 H LYS 33 H LYS 33 3.639 7.571 2.991 226 HA LYS 33 HA LYS 33 5.432 9.306 1.715 227 HB2 LYS 33 1HB LYS 33 4.487 9.085 4.566 228 HB3 LYS 33 2HB LYS 33 5.625 10.329 4.065 229 HG2 LYS 33 1HG LYS 33 4.007 11.196 2.473 230 HG3 LYS 33 2HG LYS 33 2.868 9.925 2.921 231 HD2 LYS 33 1HD LYS 33 2.715 10.794 5.168 232 HD3 LYS 33 2HD LYS 33 3.968 11.990 4.826 233 HE2 LYS 33 1HE LYS 33 1.438 11.886 3.220 234 HE3 LYS 33 2HE LYS 33 1.501 12.733 4.764 235 HZ1 LYS 33 3HZ LYS 33 3.198 14.165 3.933 236 HZ2 LYS 33 1HZ LYS 33 1.933 14.163 2.808 237 HZ3 LYS 33 2HZ LYS 33 3.341 13.277 2.500 238 H ILE 34 H ILE 34 5.947 6.656 3.930 239 HA ILE 34 HA ILE 34 8.558 7.235 4.758 240 HB ILE 34 HB ILE 34 8.765 4.940 5.386 241 HG12 ILE 34 1HG1 ILE 34 6.384 4.401 3.596 242 HG13 ILE 34 2HG1 ILE 34 8.048 3.935 3.259 243 HG21 ILE 34 1HG2 ILE 34 6.454 6.497 5.998 244 HG22 ILE 34 2HG2 ILE 34 6.016 4.789 6.004 245 HG23 ILE 34 3HG2 ILE 34 7.333 5.364 7.026 246 HD11 ILE 34 3HD1 ILE 34 6.081 2.750 5.120 247 HD12 ILE 34 1HD1 ILE 34 7.286 1.976 4.091 248 HD13 ILE 34 2HD1 ILE 34 7.776 2.734 5.607 249 H HIS 35 H HIS 35 7.324 5.842 1.800 250 HA HIS 35 HA HIS 35 9.956 5.054 0.876 251 HB2 HIS 35 1HB HIS 35 7.401 5.117 -0.730 252 HB3 HIS 35 2HB HIS 35 8.853 4.174 -1.052 253 HD1 HIS 35 HD1 HIS 35 9.390 2.497 1.200 254 HD2 HIS 35 HD2 HIS 35 5.473 3.555 0.309 255 HE1 HIS 35 HE1 HIS 35 7.954 0.767 2.327 256 H THR 36 H THR 36 7.918 7.805 0.740 257 HA THR 36 HA THR 36 9.630 8.995 -1.344 258 HB THR 36 HB THR 36 7.272 8.793 -2.050 259 HG1 THR 36 HG1 THR 36 7.975 10.526 -3.065 260 HG21 THR 36 3HG2 THR 36 5.808 10.647 -0.803 261 HG22 THR 36 1HG2 THR 36 6.836 10.164 0.544 262 HG23 THR 36 2HG2 THR 36 5.844 8.963 -0.283 263 H GLY 37 H GLY 37 10.367 8.935 1.390 264 HA2 GLY 37 1HA GLY 37 10.601 11.799 1.851 265 HA3 GLY 37 2HA GLY 37 9.788 10.887 3.114 266 H GLU 38 H GLU 38 11.023 8.995 3.990 267 HA GLU 38 HA GLU 38 13.897 9.639 4.092 268 HB2 GLU 38 1HB GLU 38 12.740 10.141 6.201 269 HB3 GLU 38 2HB GLU 38 12.159 8.484 6.279 270 HG2 GLU 38 1HG GLU 38 15.088 8.990 6.105 271 HG3 GLU 38 2HG GLU 38 14.255 9.230 7.640 272 H LYS 39 H LYS 39 14.750 8.192 2.692 273 HA LYS 39 HA LYS 39 13.982 5.724 1.939 274 HB2 LYS 39 1HB LYS 39 16.256 5.213 1.401 275 HB3 LYS 39 2HB LYS 39 16.037 6.943 1.173 276 HG2 LYS 39 1HG LYS 39 16.983 7.209 3.521 277 HG3 LYS 39 2HG LYS 39 17.479 5.520 3.385 278 HD2 LYS 39 1HD LYS 39 18.523 6.305 1.125 279 HD3 LYS 39 2HD LYS 39 18.427 7.909 1.855 280 HE2 LYS 39 1HE LYS 39 20.574 7.116 2.389 281 HE3 LYS 39 2HE LYS 39 19.624 6.897 3.858 282 HZ1 LYS 39 3HZ LYS 39 21.003 4.959 2.348 283 HZ2 LYS 39 1HZ LYS 39 19.355 4.574 2.360 284 HZ3 LYS 39 2HZ LYS 39 20.188 4.772 3.819 285 HA PRO 40 HA PRO 40 13.940 3.072 5.452 286 HB2 PRO 40 1HB PRO 40 14.203 0.681 4.194 287 HB3 PRO 40 2HB PRO 40 12.709 1.625 4.159 288 HG2 PRO 40 1HG PRO 40 14.871 1.422 2.098 289 HG3 PRO 40 2HG PRO 40 13.111 1.418 1.878 290 HD2 PRO 40 1HD PRO 40 14.627 3.620 1.449 291 HD3 PRO 40 2HD PRO 40 12.958 3.711 2.047 292 H SER 41 H SER 41 15.600 2.965 6.824 293 HA SER 41 HA SER 41 18.143 1.827 5.861 294 HB2 SER 41 1HB SER 41 17.608 4.098 7.761 295 HB3 SER 41 2HB SER 41 19.129 3.207 7.821 296 HG SER 41 HG SER 41 18.060 4.650 5.626 297 H GLY 42 H GLY 42 18.277 -0.196 6.591 298 HA2 GLY 42 1HA GLY 42 17.950 -2.033 7.967 299 HA3 GLY 42 2HA GLY 42 18.785 -0.993 9.112 300 HA PRO 43 HA PRO 43 13.998 -0.611 9.886 301 HB2 PRO 43 1HB PRO 43 12.526 -2.678 8.922 302 HB3 PRO 43 2HB PRO 43 12.821 -1.198 8.002 303 HG2 PRO 43 1HG PRO 43 14.194 -3.851 7.812 304 HG3 PRO 43 2HG PRO 43 13.655 -2.775 6.510 305 HD2 PRO 43 1HD PRO 43 16.234 -2.898 7.324 306 HD3 PRO 43 2HD PRO 43 15.497 -1.404 6.709 307 H SER 44 H SER 44 12.876 -1.512 11.641 308 HA SER 44 HA SER 44 13.651 -4.155 12.587 309 HB2 SER 44 1HB SER 44 15.261 -2.334 13.489 310 HB3 SER 44 2HB SER 44 13.899 -1.841 14.495 311 HG SER 44 HG SER 44 13.907 -3.832 15.467 312 H SER 45 H SER 45 12.321 -4.909 14.372 313 HA SER 45 HA SER 45 10.337 -5.234 15.439 314 HB2 SER 45 1HB SER 45 9.776 -2.301 14.968 315 HB3 SER 45 2HB SER 45 9.085 -3.338 16.215 316 HG SER 45 HG SER 45 11.559 -3.570 16.683 317 H GLY 46 H GLY 46 10.436 -5.914 12.787 318 HA2 GLY 46 1HA GLY 46 7.771 -5.106 11.798 319 HA3 GLY 46 2HA GLY 46 9.116 -5.507 10.740 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -6.043 -19.757 -6.789 2 HA2 GLY 1 1HA GLY 1 -6.717 -21.249 -4.997 3 HA3 GLY 1 2HA GLY 1 -6.491 -22.216 -6.447 4 H SER 2 H SER 2 -4.674 -20.956 -3.659 5 HA SER 2 HA SER 2 -2.836 -23.214 -3.841 6 HB2 SER 2 1HB SER 2 -1.775 -21.091 -3.466 7 HB3 SER 2 2HB SER 2 -2.847 -20.732 -2.113 8 HG SER 2 HG SER 2 -1.885 -22.480 -0.993 9 H SER 3 H SER 3 -2.445 -24.635 -2.097 10 HA SER 3 HA SER 3 -4.773 -25.519 -0.760 11 HB2 SER 3 1HB SER 3 -1.870 -26.241 -0.291 12 HB3 SER 3 2HB SER 3 -3.249 -27.112 0.381 13 HG SER 3 HG SER 3 -3.915 -27.345 -1.905 14 H GLY 4 H GLY 4 -1.870 -23.818 0.381 15 HA2 GLY 4 1HA GLY 4 -3.084 -23.503 3.025 16 HA3 GLY 4 2HA GLY 4 -1.426 -23.112 2.592 17 H SER 5 H SER 5 -4.482 -21.874 3.215 18 HA SER 5 HA SER 5 -3.701 -19.264 2.091 19 HB2 SER 5 1HB SER 5 -5.977 -18.764 1.580 20 HB3 SER 5 2HB SER 5 -5.676 -20.385 0.952 21 HG SER 5 HG SER 5 -6.802 -21.248 2.637 22 H SER 6 H SER 6 -3.259 -17.842 3.625 23 HA SER 6 HA SER 6 -4.249 -18.261 6.330 24 HB2 SER 6 1HB SER 6 -1.870 -17.738 6.019 25 HB3 SER 6 2HB SER 6 -2.299 -16.214 5.243 26 HG SER 6 HG SER 6 -3.551 -16.025 7.427 27 H GLY 7 H GLY 7 -4.210 -15.644 3.911 28 HA2 GLY 7 1HA GLY 7 -5.618 -13.860 3.591 29 HA3 GLY 7 2HA GLY 7 -6.861 -14.858 4.332 30 H THR 8 H THR 8 -7.354 -14.600 6.503 31 HA THR 8 HA THR 8 -7.513 -13.562 8.529 32 HB THR 8 HB THR 8 -4.876 -12.214 7.941 33 HG1 THR 8 HG1 THR 8 -4.177 -14.146 9.314 34 HG21 THR 8 3HG2 THR 8 -5.110 -12.938 10.636 35 HG22 THR 8 1HG2 THR 8 -6.680 -12.272 10.189 36 HG23 THR 8 2HG2 THR 8 -5.217 -11.315 9.954 37 H GLY 9 H GLY 9 -8.738 -12.436 6.265 38 HA2 GLY 9 1HA GLY 9 -10.088 -10.502 6.153 39 HA3 GLY 9 2HA GLY 9 -8.925 -9.660 7.166 40 H GLU 10 H GLU 10 -10.224 -9.413 4.300 41 HA GLU 10 HA GLU 10 -7.733 -8.894 2.835 42 HB2 GLU 10 1HB GLU 10 -9.147 -8.799 0.825 43 HB3 GLU 10 2HB GLU 10 -9.323 -10.327 1.676 44 HG2 GLU 10 1HG GLU 10 -11.351 -9.115 2.801 45 HG3 GLU 10 2HG GLU 10 -11.263 -8.094 1.367 46 H ARG 11 H ARG 11 -7.076 -6.880 2.434 47 HA ARG 11 HA ARG 11 -8.814 -4.674 3.269 48 HB2 ARG 11 1HB ARG 11 -5.837 -4.851 2.805 49 HB3 ARG 11 2HB ARG 11 -6.672 -3.335 3.116 50 HG2 ARG 11 1HG ARG 11 -6.960 -5.627 5.010 51 HG3 ARG 11 2HG ARG 11 -5.536 -4.587 5.069 52 HD2 ARG 11 1HD ARG 11 -6.783 -2.707 5.644 53 HD3 ARG 11 2HD ARG 11 -8.290 -3.412 5.060 54 HE ARG 11 HE ARG 11 -8.578 -4.396 7.106 55 HH11 ARG 11 1HH1 ARG 11 -5.273 -3.345 6.803 56 HH12 ARG 11 2HH1 ARG 11 -4.875 -3.691 8.453 57 HH21 ARG 11 1HH2 ARG 11 -8.067 -4.855 9.281 58 HH22 ARG 11 2HH2 ARG 11 -6.465 -4.550 9.862 59 HA PRO 12 HA PRO 12 -9.574 -3.414 -0.879 60 HB2 PRO 12 1HB PRO 12 -10.133 -0.794 -0.438 61 HB3 PRO 12 2HB PRO 12 -11.247 -2.098 -0.013 62 HG2 PRO 12 1HG PRO 12 -9.339 -0.593 1.734 63 HG3 PRO 12 2HG PRO 12 -11.014 -1.072 2.060 64 HD2 PRO 12 1HD PRO 12 -8.891 -2.436 3.042 65 HD3 PRO 12 2HD PRO 12 -10.422 -3.229 2.616 66 H TYR 13 H TYR 13 -7.649 -1.058 0.992 67 HA TYR 13 HA TYR 13 -6.163 -0.368 -1.423 68 HB2 TYR 13 1HB TYR 13 -5.734 0.852 1.293 69 HB3 TYR 13 2HB TYR 13 -5.420 1.556 -0.290 70 HD1 TYR 13 HD1 TYR 13 -7.258 2.457 -1.638 71 HD2 TYR 13 HD2 TYR 13 -7.937 0.912 2.268 72 HE1 TYR 13 HE1 TYR 13 -9.455 3.562 -1.589 73 HE2 TYR 13 HE2 TYR 13 -10.136 2.012 2.327 74 HH TYR 13 HH TYR 13 -11.569 3.408 -0.462 75 H ILE 14 H ILE 14 -4.070 -0.874 -1.775 76 HA ILE 14 HA ILE 14 -2.533 -2.115 0.392 77 HB ILE 14 HB ILE 14 -2.944 -3.304 -2.350 78 HG12 ILE 14 1HG1 ILE 14 -3.433 -5.334 -0.772 79 HG13 ILE 14 2HG1 ILE 14 -3.678 -4.091 0.450 80 HG21 ILE 14 1HG2 ILE 14 -1.273 -4.944 -1.820 81 HG22 ILE 14 2HG2 ILE 14 -0.561 -3.340 -1.656 82 HG23 ILE 14 3HG2 ILE 14 -1.034 -4.245 -0.219 83 HD11 ILE 14 3HD1 ILE 14 -5.630 -5.046 -1.104 84 HD12 ILE 14 1HD1 ILE 14 -5.625 -3.410 -0.446 85 HD13 ILE 14 2HD1 ILE 14 -5.091 -3.696 -2.103 86 H CYS 15 H CYS 15 -0.641 -1.132 0.581 87 HA CYS 15 HA CYS 15 0.316 0.852 -1.106 88 HB2 CYS 15 1HB CYS 15 1.004 0.316 1.304 89 HB3 CYS 15 2HB CYS 15 2.115 -0.857 0.606 90 H THR 16 H THR 16 0.914 0.665 -3.154 91 HA THR 16 HA THR 16 1.982 -1.839 -4.168 92 HB THR 16 HB THR 16 1.780 -0.876 -6.369 93 HG1 THR 16 HG1 THR 16 1.492 1.532 -4.919 94 HG21 THR 16 3HG2 THR 16 -0.286 -1.719 -5.455 95 HG22 THR 16 1HG2 THR 16 -0.630 -0.258 -6.380 96 HG23 THR 16 2HG2 THR 16 -0.583 -0.196 -4.618 97 H VAL 17 H VAL 17 3.685 -0.606 -2.326 98 HA VAL 17 HA VAL 17 5.956 0.077 -4.069 99 HB VAL 17 HB VAL 17 5.275 1.400 -1.441 100 HG11 VAL 17 1HG1 VAL 17 7.309 2.684 -1.710 101 HG12 VAL 17 2HG1 VAL 17 7.691 0.961 -1.682 102 HG13 VAL 17 3HG1 VAL 17 7.677 1.838 -3.213 103 HG21 VAL 17 3HG2 VAL 17 4.085 2.111 -3.592 104 HG22 VAL 17 1HG2 VAL 17 4.884 3.369 -2.649 105 HG23 VAL 17 2HG2 VAL 17 5.653 2.735 -4.104 106 H CYS 18 H CYS 18 4.966 -1.006 -0.834 107 HA CYS 18 HA CYS 18 7.451 -2.582 -0.689 108 HB2 CYS 18 1HB CYS 18 7.152 -2.524 1.776 109 HB3 CYS 18 2HB CYS 18 7.367 -0.923 1.075 110 H GLY 19 H GLY 19 3.969 -2.597 -0.118 111 HA2 GLY 19 1HA GLY 19 2.824 -4.662 -0.865 112 HA3 GLY 19 2HA GLY 19 4.092 -5.549 -0.032 113 H LYS 20 H LYS 20 2.474 -2.668 1.184 114 HA LYS 20 HA LYS 20 1.505 -4.265 3.450 115 HB2 LYS 20 1HB LYS 20 3.016 -2.311 3.887 116 HB3 LYS 20 2HB LYS 20 1.756 -1.260 3.255 117 HG2 LYS 20 1HG LYS 20 0.419 -1.525 5.084 118 HG3 LYS 20 2HG LYS 20 1.050 -3.133 5.450 119 HD2 LYS 20 1HD LYS 20 2.847 -0.758 5.686 120 HD3 LYS 20 2HD LYS 20 1.672 -1.088 6.962 121 HE2 LYS 20 1HE LYS 20 2.602 -3.421 7.068 122 HE3 LYS 20 2HE LYS 20 3.884 -2.884 5.983 123 HZ1 LYS 20 3HZ LYS 20 3.606 -1.101 8.171 124 HZ2 LYS 20 1HZ LYS 20 4.964 -1.980 7.676 125 HZ3 LYS 20 2HZ LYS 20 3.841 -2.679 8.730 126 H ALA 21 H ALA 21 -0.601 -3.656 4.382 127 HA ALA 21 HA ALA 21 -2.490 -2.698 2.333 128 HB1 ALA 21 3HB ALA 21 -3.877 -4.468 2.594 129 HB2 ALA 21 1HB ALA 21 -2.375 -5.272 3.050 130 HB3 ALA 21 2HB ALA 21 -3.471 -4.677 4.297 131 H PHE 22 H PHE 22 -4.104 -1.347 3.000 132 HA PHE 22 HA PHE 22 -4.308 -0.760 5.869 133 HB2 PHE 22 1HB PHE 22 -4.039 1.314 3.683 134 HB3 PHE 22 2HB PHE 22 -4.374 1.660 5.376 135 HD1 PHE 22 HD2 PHE 22 -1.851 0.246 3.072 136 HD2 PHE 22 HD1 PHE 22 -2.640 1.826 6.944 137 HE1 PHE 22 HE2 PHE 22 0.566 0.327 3.527 138 HE2 PHE 22 HE1 PHE 22 -0.225 1.910 7.406 139 HZ PHE 22 HZ PHE 22 1.382 1.159 5.697 140 H THR 23 H THR 23 -6.339 -0.514 6.588 141 HA THR 23 HA THR 23 -8.522 -1.087 4.850 142 HB THR 23 HB THR 23 -8.586 -1.836 7.161 143 HG1 THR 23 HG1 THR 23 -10.698 -0.917 7.687 144 HG21 THR 23 3HG2 THR 23 -7.433 0.474 7.857 145 HG22 THR 23 1HG2 THR 23 -8.350 -0.510 8.996 146 HG23 THR 23 2HG2 THR 23 -9.109 0.882 8.223 147 H ASP 24 H ASP 24 -7.165 1.834 6.211 148 HA ASP 24 HA ASP 24 -9.316 3.405 4.957 149 HB2 ASP 24 1HB ASP 24 -8.785 3.631 7.473 150 HB3 ASP 24 2HB ASP 24 -7.341 4.493 6.950 151 H ARG 25 H ARG 25 -8.793 4.158 3.020 152 HA ARG 25 HA ARG 25 -6.443 4.136 1.706 153 HB2 ARG 25 1HB ARG 25 -8.715 4.928 0.864 154 HB3 ARG 25 2HB ARG 25 -8.286 6.512 1.496 155 HG2 ARG 25 1HG ARG 25 -6.159 6.251 0.051 156 HG3 ARG 25 2HG ARG 25 -7.084 5.002 -0.783 157 HD2 ARG 25 1HD ARG 25 -8.133 7.785 -0.337 158 HD3 ARG 25 2HD ARG 25 -7.197 7.337 -1.762 159 HE ARG 25 HE ARG 25 -9.931 6.618 -1.176 160 HH11 ARG 25 1HH1 ARG 25 -7.082 5.906 -3.044 161 HH12 ARG 25 2HH1 ARG 25 -7.950 5.086 -4.299 162 HH21 ARG 25 1HH2 ARG 25 -11.086 5.541 -2.821 163 HH22 ARG 25 2HH2 ARG 25 -10.228 4.879 -4.171 164 H SER 26 H SER 26 -7.580 6.947 3.586 165 HA SER 26 HA SER 26 -5.542 8.691 3.320 166 HB2 SER 26 1HB SER 26 -7.358 9.299 4.731 167 HB3 SER 26 2HB SER 26 -7.059 7.948 5.823 168 HG SER 26 HG SER 26 -4.992 9.777 5.455 169 H ASN 27 H ASN 27 -5.562 6.080 5.751 170 HA ASN 27 HA ASN 27 -3.084 6.455 6.864 171 HB2 ASN 27 1HB ASN 27 -4.967 4.634 7.266 172 HB3 ASN 27 2HB ASN 27 -3.914 3.652 6.252 173 HD21 ASN 27 1HD2 ASN 27 -1.482 4.027 6.938 174 HD22 ASN 27 2HD2 ASN 27 -1.194 3.798 8.626 175 H LEU 28 H LEU 28 -3.816 4.409 4.038 176 HA LEU 28 HA LEU 28 -1.267 3.545 3.445 177 HB2 LEU 28 1HB LEU 28 -3.186 2.685 2.287 178 HB3 LEU 28 2HB LEU 28 -3.523 4.265 1.583 179 HG LEU 28 HG LEU 28 -1.425 4.086 0.279 180 HD11 LEU 28 1HD1 LEU 28 -1.029 1.281 0.421 181 HD12 LEU 28 2HD1 LEU 28 -0.939 1.931 2.057 182 HD13 LEU 28 3HD1 LEU 28 0.109 2.576 0.794 183 HD21 LEU 28 3HD2 LEU 28 -2.343 2.756 -1.395 184 HD22 LEU 28 1HD2 LEU 28 -3.751 3.268 -0.465 185 HD23 LEU 28 2HD2 LEU 28 -3.090 1.648 -0.243 186 H ILE 29 H ILE 29 -2.867 6.504 2.287 187 HA ILE 29 HA ILE 29 -0.815 7.483 0.692 188 HB ILE 29 HB ILE 29 -2.772 9.073 2.355 189 HG12 ILE 29 1HG1 ILE 29 -2.994 8.502 -0.587 190 HG13 ILE 29 2HG1 ILE 29 -3.590 7.343 0.595 191 HG21 ILE 29 1HG2 ILE 29 -0.958 10.490 1.677 192 HG22 ILE 29 2HG2 ILE 29 -1.038 9.878 0.026 193 HG23 ILE 29 3HG2 ILE 29 -2.359 10.853 0.669 194 HD11 ILE 29 3HD1 ILE 29 -4.491 10.084 1.052 195 HD12 ILE 29 1HD1 ILE 29 -5.033 9.381 -0.471 196 HD13 ILE 29 2HD1 ILE 29 -5.396 8.570 1.053 197 H LYS 30 H LYS 30 -1.403 8.007 4.154 198 HA LYS 30 HA LYS 30 0.821 9.715 4.559 199 HB2 LYS 30 1HB LYS 30 -1.011 9.711 6.134 200 HB3 LYS 30 2HB LYS 30 -0.759 8.007 6.487 201 HG2 LYS 30 1HG LYS 30 1.403 8.523 7.486 202 HG3 LYS 30 2HG LYS 30 1.172 10.233 7.113 203 HD2 LYS 30 1HD LYS 30 -0.757 8.661 8.806 204 HD3 LYS 30 2HD LYS 30 0.633 9.512 9.484 205 HE2 LYS 30 1HE LYS 30 -1.223 10.986 7.677 206 HE3 LYS 30 2HE LYS 30 -1.728 10.662 9.334 207 HZ1 LYS 30 3HZ LYS 30 0.877 11.917 8.708 208 HZ2 LYS 30 1HZ LYS 30 0.052 11.893 10.186 209 HZ3 LYS 30 2HZ LYS 30 -0.532 12.832 8.906 210 H HIS 31 H HIS 31 0.383 6.231 4.719 211 HA HIS 31 HA HIS 31 2.867 5.628 5.938 212 HB2 HIS 31 1HB HIS 31 1.375 3.861 6.062 213 HB3 HIS 31 2HB HIS 31 0.826 4.071 4.402 214 HD1 HIS 31 HD1 HIS 31 3.731 2.669 6.365 215 HD2 HIS 31 HD2 HIS 31 2.117 2.519 2.540 216 HE1 HIS 31 HE1 HIS 31 5.012 0.868 5.165 217 H GLN 32 H GLN 32 1.820 5.653 2.540 218 HA GLN 32 HA GLN 32 4.093 4.761 1.298 219 HB2 GLN 32 1HB GLN 32 2.139 6.899 0.463 220 HB3 GLN 32 2HB GLN 32 3.433 6.342 -0.590 221 HG2 GLN 32 1HG GLN 32 2.456 3.990 -0.141 222 HG3 GLN 32 2HG GLN 32 1.020 4.873 0.375 223 HE21 GLN 32 1HE2 GLN 32 2.810 3.694 -2.250 224 HE22 GLN 32 2HE2 GLN 32 1.852 4.370 -3.519 225 H LYS 33 H LYS 33 3.532 7.864 2.798 226 HA LYS 33 HA LYS 33 5.530 9.419 1.715 227 HB2 LYS 33 1HB LYS 33 4.755 9.334 4.637 228 HB3 LYS 33 2HB LYS 33 5.520 10.678 3.799 229 HG2 LYS 33 1HG LYS 33 3.419 10.599 2.282 230 HG3 LYS 33 2HG LYS 33 2.707 9.694 3.620 231 HD2 LYS 33 1HD LYS 33 4.131 12.229 4.246 232 HD3 LYS 33 2HD LYS 33 2.547 12.336 3.475 233 HE2 LYS 33 1HE LYS 33 1.456 11.467 5.285 234 HE3 LYS 33 2HE LYS 33 2.843 10.508 5.798 235 HZ1 LYS 33 3HZ LYS 33 2.536 13.446 6.105 236 HZ2 LYS 33 1HZ LYS 33 3.915 12.565 6.537 237 HZ3 LYS 33 2HZ LYS 33 2.452 12.295 7.342 238 H ILE 34 H ILE 34 5.795 6.813 4.039 239 HA ILE 34 HA ILE 34 8.373 7.266 4.995 240 HB ILE 34 HB ILE 34 8.407 5.043 5.738 241 HG12 ILE 34 1HG1 ILE 34 6.356 4.369 3.616 242 HG13 ILE 34 2HG1 ILE 34 8.075 4.002 3.514 243 HG21 ILE 34 1HG2 ILE 34 5.994 6.545 5.914 244 HG22 ILE 34 2HG2 ILE 34 5.591 4.829 5.867 245 HG23 ILE 34 3HG2 ILE 34 6.699 5.442 7.095 246 HD11 ILE 34 3HD1 ILE 34 6.705 2.072 4.177 247 HD12 ILE 34 1HD1 ILE 34 7.910 2.506 5.389 248 HD13 ILE 34 2HD1 ILE 34 6.218 2.944 5.630 249 H HIS 35 H HIS 35 7.273 5.919 1.964 250 HA HIS 35 HA HIS 35 9.879 4.950 1.200 251 HB2 HIS 35 1HB HIS 35 7.439 5.340 -0.541 252 HB3 HIS 35 2HB HIS 35 8.843 4.338 -0.896 253 HD1 HIS 35 HD1 HIS 35 9.180 2.537 1.371 254 HD2 HIS 35 HD2 HIS 35 5.395 3.728 0.139 255 HE1 HIS 35 HE1 HIS 35 7.603 0.788 2.254 256 H THR 36 H THR 36 8.116 7.898 0.968 257 HA THR 36 HA THR 36 10.125 8.974 -0.902 258 HB THR 36 HB THR 36 8.017 9.211 -1.949 259 HG1 THR 36 HG1 THR 36 8.153 11.741 -0.736 260 HG21 THR 36 3HG2 THR 36 6.591 8.756 -0.023 261 HG22 THR 36 1HG2 THR 36 6.067 10.224 -0.847 262 HG23 THR 36 2HG2 THR 36 6.982 10.335 0.657 263 H GLY 37 H GLY 37 11.566 9.323 0.904 264 HA2 GLY 37 1HA GLY 37 11.690 11.915 1.817 265 HA3 GLY 37 2HA GLY 37 10.825 11.036 3.069 266 H GLU 38 H GLU 38 12.284 8.553 2.640 267 HA GLU 38 HA GLU 38 14.847 9.353 3.850 268 HB2 GLU 38 1HB GLU 38 13.229 8.092 5.304 269 HB3 GLU 38 2HB GLU 38 13.405 6.725 4.214 270 HG2 GLU 38 1HG GLU 38 14.879 6.210 5.904 271 HG3 GLU 38 2HG GLU 38 15.929 6.958 4.701 272 H LYS 39 H LYS 39 16.721 8.606 3.019 273 HA LYS 39 HA LYS 39 16.578 7.198 0.477 274 HB2 LYS 39 1HB LYS 39 18.856 7.855 0.152 275 HB3 LYS 39 2HB LYS 39 17.990 9.247 0.790 276 HG2 LYS 39 1HG LYS 39 18.885 8.774 3.020 277 HG3 LYS 39 2HG LYS 39 19.770 7.395 2.363 278 HD2 LYS 39 1HD LYS 39 21.402 9.011 2.315 279 HD3 LYS 39 2HD LYS 39 20.712 9.199 0.701 280 HE2 LYS 39 1HE LYS 39 19.707 10.799 3.032 281 HE3 LYS 39 2HE LYS 39 21.118 11.312 2.108 282 HZ1 LYS 39 3HZ LYS 39 19.597 12.329 0.841 283 HZ2 LYS 39 1HZ LYS 39 18.320 11.360 1.383 284 HZ3 LYS 39 2HZ LYS 39 19.348 10.799 0.163 285 HA PRO 40 HA PRO 40 17.703 3.257 2.071 286 HB2 PRO 40 1HB PRO 40 18.901 2.203 -0.125 287 HB3 PRO 40 2HB PRO 40 17.152 2.423 0.002 288 HG2 PRO 40 1HG PRO 40 19.181 4.139 -1.376 289 HG3 PRO 40 2HG PRO 40 17.574 3.640 -1.933 290 HD2 PRO 40 1HD PRO 40 18.055 6.085 -0.874 291 HD3 PRO 40 2HD PRO 40 16.501 5.249 -0.678 292 H SER 41 H SER 41 19.852 1.710 1.460 293 HA SER 41 HA SER 41 22.162 3.342 2.290 294 HB2 SER 41 1HB SER 41 21.052 1.726 4.015 295 HB3 SER 41 2HB SER 41 21.872 0.464 3.097 296 HG SER 41 HG SER 41 23.035 2.664 4.452 297 H GLY 42 H GLY 42 22.674 3.471 0.005 298 HA2 GLY 42 1HA GLY 42 24.689 2.454 -1.118 299 HA3 GLY 42 2HA GLY 42 23.782 0.949 -1.063 300 HA PRO 43 HA PRO 43 21.734 1.805 -4.843 301 HB2 PRO 43 1HB PRO 43 19.089 1.450 -4.343 302 HB3 PRO 43 2HB PRO 43 20.244 0.113 -4.404 303 HG2 PRO 43 1HG PRO 43 19.122 1.539 -2.023 304 HG3 PRO 43 2HG PRO 43 19.376 -0.198 -2.269 305 HD2 PRO 43 1HD PRO 43 21.079 1.332 -0.824 306 HD3 PRO 43 2HD PRO 43 21.622 -0.069 -1.769 307 H SER 44 H SER 44 21.464 3.936 -2.348 308 HA SER 44 HA SER 44 19.461 5.673 -2.653 309 HB2 SER 44 1HB SER 44 21.427 6.061 -1.194 310 HB3 SER 44 2HB SER 44 22.366 6.528 -2.612 311 HG SER 44 HG SER 44 20.371 8.048 -2.837 312 H SER 45 H SER 45 18.425 6.095 -4.507 313 HA SER 45 HA SER 45 20.011 6.963 -6.828 314 HB2 SER 45 1HB SER 45 17.833 6.496 -8.090 315 HB3 SER 45 2HB SER 45 18.698 5.094 -7.459 316 HG SER 45 HG SER 45 16.715 4.722 -6.736 317 H GLY 46 H GLY 46 20.021 9.059 -7.275 318 HA2 GLY 46 1HA GLY 46 18.987 11.119 -7.795 319 HA3 GLY 46 2HA GLY 46 17.597 10.637 -6.834 Start of MODEL 5 1 H1 GLY 1 H GLY 1 4.478 -17.104 16.374 2 HA2 GLY 1 1HA GLY 1 3.698 -15.111 18.366 3 HA3 GLY 1 2HA GLY 1 5.404 -15.206 17.955 4 H SER 2 H SER 2 2.185 -14.578 16.661 5 HA SER 2 HA SER 2 3.346 -12.661 14.803 6 HB2 SER 2 1HB SER 2 3.252 -14.746 13.502 7 HB3 SER 2 2HB SER 2 1.535 -14.904 13.874 8 HG SER 2 HG SER 2 2.370 -12.508 12.730 9 H SER 3 H SER 3 2.231 -10.841 14.956 10 HA SER 3 HA SER 3 -0.251 -10.713 16.357 11 HB2 SER 3 1HB SER 3 -0.162 -8.289 15.793 12 HB3 SER 3 2HB SER 3 1.330 -8.877 16.527 13 HG SER 3 HG SER 3 0.977 -8.730 13.724 14 H GLY 4 H GLY 4 -2.141 -11.273 15.514 15 HA2 GLY 4 1HA GLY 4 -3.507 -10.120 13.503 16 HA3 GLY 4 2HA GLY 4 -2.536 -11.305 12.643 17 H SER 5 H SER 5 -5.284 -10.772 14.637 18 HA SER 5 HA SER 5 -5.989 -13.615 14.371 19 HB2 SER 5 1HB SER 5 -6.883 -13.696 16.591 20 HB3 SER 5 2HB SER 5 -5.257 -13.026 16.720 21 HG SER 5 HG SER 5 -7.715 -11.832 17.175 22 H SER 6 H SER 6 -8.285 -14.044 14.373 23 HA SER 6 HA SER 6 -10.287 -13.683 13.306 24 HB2 SER 6 1HB SER 6 -10.253 -11.331 15.215 25 HB3 SER 6 2HB SER 6 -11.690 -12.030 14.468 26 HG SER 6 HG SER 6 -10.780 -12.720 16.731 27 H GLY 7 H GLY 7 -8.192 -12.687 11.759 28 HA2 GLY 7 1HA GLY 7 -9.508 -10.355 10.515 29 HA3 GLY 7 2HA GLY 7 -7.762 -10.412 10.713 30 H THR 8 H THR 8 -10.485 -11.551 8.898 31 HA THR 8 HA THR 8 -8.628 -12.679 6.914 32 HB THR 8 HB THR 8 -11.342 -13.857 7.528 33 HG1 THR 8 HG1 THR 8 -10.385 -15.057 8.984 34 HG21 THR 8 3HG2 THR 8 -10.297 -15.790 6.222 35 HG22 THR 8 1HG2 THR 8 -9.079 -14.626 5.702 36 HG23 THR 8 2HG2 THR 8 -10.776 -14.365 5.300 37 H GLY 9 H GLY 9 -8.705 -11.260 5.282 38 HA2 GLY 9 1HA GLY 9 -10.983 -10.986 3.665 39 HA3 GLY 9 2HA GLY 9 -10.867 -9.563 4.690 40 H GLU 10 H GLU 10 -10.755 -8.895 2.211 41 HA GLU 10 HA GLU 10 -7.895 -8.633 1.548 42 HB2 GLU 10 1HB GLU 10 -10.296 -9.023 -0.202 43 HB3 GLU 10 2HB GLU 10 -8.885 -8.182 -0.829 44 HG2 GLU 10 1HG GLU 10 -7.502 -10.092 -0.491 45 HG3 GLU 10 2HG GLU 10 -8.780 -10.928 0.390 46 H ARG 11 H ARG 11 -7.440 -6.695 2.480 47 HA ARG 11 HA ARG 11 -9.015 -4.482 2.791 48 HB2 ARG 11 1HB ARG 11 -6.081 -4.880 2.467 49 HB3 ARG 11 2HB ARG 11 -6.697 -3.235 2.384 50 HG2 ARG 11 1HG ARG 11 -6.034 -3.652 4.626 51 HG3 ARG 11 2HG ARG 11 -7.798 -3.616 4.590 52 HD2 ARG 11 1HD ARG 11 -7.635 -6.168 4.322 53 HD3 ARG 11 2HD ARG 11 -5.966 -5.976 4.857 54 HE ARG 11 HE ARG 11 -7.950 -4.759 6.571 55 HH11 ARG 11 1HH1 ARG 11 -6.050 -7.592 5.876 56 HH12 ARG 11 2HH1 ARG 11 -6.172 -8.228 7.483 57 HH21 ARG 11 1HH2 ARG 11 -8.117 -5.585 8.690 58 HH22 ARG 11 2HH2 ARG 11 -7.349 -7.086 9.083 59 HA PRO 12 HA PRO 12 -9.893 -2.910 -1.226 60 HB2 PRO 12 1HB PRO 12 -10.409 -0.326 -0.574 61 HB3 PRO 12 2HB PRO 12 -11.523 -1.649 -0.211 62 HG2 PRO 12 1HG PRO 12 -9.545 -0.294 1.580 63 HG3 PRO 12 2HG PRO 12 -11.214 -0.782 1.925 64 HD2 PRO 12 1HD PRO 12 -9.075 -2.233 2.733 65 HD3 PRO 12 2HD PRO 12 -10.627 -2.979 2.300 66 H TYR 13 H TYR 13 -7.455 -1.411 0.796 67 HA TYR 13 HA TYR 13 -6.095 -0.464 -1.640 68 HB2 TYR 13 1HB TYR 13 -5.727 0.918 0.997 69 HB3 TYR 13 2HB TYR 13 -5.458 1.538 -0.629 70 HD1 TYR 13 HD1 TYR 13 -7.433 2.125 -2.056 71 HD2 TYR 13 HD2 TYR 13 -7.823 1.168 2.072 72 HE1 TYR 13 HE1 TYR 13 -9.657 3.176 -2.028 73 HE2 TYR 13 HE2 TYR 13 -10.049 2.215 2.110 74 HH TYR 13 HH TYR 13 -11.356 3.804 0.896 75 H ILE 14 H ILE 14 -3.981 -0.973 -1.849 76 HA ILE 14 HA ILE 14 -2.512 -2.008 0.454 77 HB ILE 14 HB ILE 14 -2.835 -3.562 -2.116 78 HG12 ILE 14 1HG1 ILE 14 -3.646 -5.316 -0.391 79 HG13 ILE 14 2HG1 ILE 14 -3.854 -3.941 0.688 80 HG21 ILE 14 1HG2 ILE 14 -1.108 -4.076 0.299 81 HG22 ILE 14 2HG2 ILE 14 -1.417 -5.253 -0.976 82 HG23 ILE 14 3HG2 ILE 14 -0.568 -3.753 -1.348 83 HD11 ILE 14 3HD1 ILE 14 -5.595 -4.903 -1.332 84 HD12 ILE 14 1HD1 ILE 14 -5.834 -3.566 -0.208 85 HD13 ILE 14 2HD1 ILE 14 -5.070 -3.278 -1.772 86 H CYS 15 H CYS 15 -0.578 -1.091 0.509 87 HA CYS 15 HA CYS 15 0.430 0.672 -1.351 88 HB2 CYS 15 1HB CYS 15 1.215 0.371 1.020 89 HB3 CYS 15 2HB CYS 15 2.125 -1.036 0.478 90 H THR 16 H THR 16 1.528 0.531 -3.212 91 HA THR 16 HA THR 16 2.188 -2.158 -4.196 92 HB THR 16 HB THR 16 2.240 -1.080 -6.454 93 HG1 THR 16 HG1 THR 16 0.932 1.133 -5.276 94 HG21 THR 16 3HG2 THR 16 -0.336 -0.758 -4.910 95 HG22 THR 16 1HG2 THR 16 0.237 -2.245 -5.665 96 HG23 THR 16 2HG2 THR 16 -0.192 -0.857 -6.665 97 H VAL 17 H VAL 17 3.939 -0.821 -2.376 98 HA VAL 17 HA VAL 17 6.282 -0.465 -4.125 99 HB VAL 17 HB VAL 17 5.695 1.057 -1.582 100 HG11 VAL 17 1HG1 VAL 17 8.040 1.538 -3.382 101 HG12 VAL 17 2HG1 VAL 17 7.804 2.027 -1.702 102 HG13 VAL 17 3HG1 VAL 17 8.121 0.336 -2.094 103 HG21 VAL 17 3HG2 VAL 17 6.240 2.467 -4.111 104 HG22 VAL 17 1HG2 VAL 17 4.709 1.595 -4.033 105 HG23 VAL 17 2HG2 VAL 17 5.081 2.833 -2.833 106 H CYS 18 H CYS 18 5.213 -1.223 -0.818 107 HA CYS 18 HA CYS 18 7.578 -2.955 -0.532 108 HB2 CYS 18 1HB CYS 18 7.272 -2.727 1.898 109 HB3 CYS 18 2HB CYS 18 7.484 -1.158 1.126 110 H GLY 19 H GLY 19 4.086 -2.747 -0.017 111 HA2 GLY 19 1HA GLY 19 2.788 -4.731 -0.657 112 HA3 GLY 19 2HA GLY 19 4.036 -5.699 0.114 113 H LYS 20 H LYS 20 2.327 -2.784 1.219 114 HA LYS 20 HA LYS 20 1.498 -4.304 3.602 115 HB2 LYS 20 1HB LYS 20 3.072 -2.431 4.026 116 HB3 LYS 20 2HB LYS 20 1.899 -1.318 3.333 117 HG2 LYS 20 1HG LYS 20 0.425 -1.567 5.117 118 HG3 LYS 20 2HG LYS 20 1.182 -3.069 5.654 119 HD2 LYS 20 1HD LYS 20 2.643 -0.442 5.676 120 HD3 LYS 20 2HD LYS 20 1.647 -0.974 7.032 121 HE2 LYS 20 1HE LYS 20 3.799 -2.724 5.889 122 HE3 LYS 20 2HE LYS 20 4.167 -1.487 7.089 123 HZ1 LYS 20 3HZ LYS 20 3.189 -4.053 7.532 124 HZ2 LYS 20 1HZ LYS 20 1.947 -2.984 7.952 125 HZ3 LYS 20 2HZ LYS 20 3.469 -2.839 8.677 126 H ALA 21 H ALA 21 -0.599 -4.052 4.400 127 HA ALA 21 HA ALA 21 -2.513 -2.965 2.445 128 HB1 ALA 21 3HB ALA 21 -3.666 -4.689 4.473 129 HB2 ALA 21 1HB ALA 21 -3.762 -4.789 2.714 130 HB3 ALA 21 2HB ALA 21 -2.383 -5.489 3.565 131 H PHE 22 H PHE 22 -4.003 -1.475 3.047 132 HA PHE 22 HA PHE 22 -4.119 -0.712 5.884 133 HB2 PHE 22 1HB PHE 22 -3.804 1.132 3.511 134 HB3 PHE 22 2HB PHE 22 -4.269 1.685 5.117 135 HD1 PHE 22 HD2 PHE 22 -1.562 0.199 3.121 136 HD2 PHE 22 HD1 PHE 22 -2.671 1.890 6.866 137 HE1 PHE 22 HE2 PHE 22 0.812 0.366 3.744 138 HE2 PHE 22 HE1 PHE 22 -0.298 2.060 7.495 139 HZ PHE 22 HZ PHE 22 1.446 1.297 5.934 140 H THR 23 H THR 23 -6.117 -0.476 6.665 141 HA THR 23 HA THR 23 -8.379 -1.164 5.128 142 HB THR 23 HB THR 23 -9.692 -0.381 7.130 143 HG1 THR 23 HG1 THR 23 -8.049 -0.073 8.987 144 HG21 THR 23 3HG2 THR 23 -9.266 -2.620 7.315 145 HG22 THR 23 1HG2 THR 23 -8.356 -2.044 8.711 146 HG23 THR 23 2HG2 THR 23 -7.519 -2.410 7.202 147 H ASP 24 H ASP 24 -7.565 1.955 6.663 148 HA ASP 24 HA ASP 24 -9.495 3.302 4.949 149 HB2 ASP 24 1HB ASP 24 -7.926 4.069 7.381 150 HB3 ASP 24 2HB ASP 24 -8.569 5.334 6.337 151 H ARG 25 H ARG 25 -8.930 4.101 3.047 152 HA ARG 25 HA ARG 25 -6.549 4.022 1.795 153 HB2 ARG 25 1HB ARG 25 -8.614 4.746 0.697 154 HB3 ARG 25 2HB ARG 25 -8.556 6.272 1.569 155 HG2 ARG 25 1HG ARG 25 -6.181 6.423 0.413 156 HG3 ARG 25 2HG ARG 25 -6.957 5.344 -0.748 157 HD2 ARG 25 1HD ARG 25 -7.217 7.662 -1.429 158 HD3 ARG 25 2HD ARG 25 -8.780 6.957 -1.019 159 HE ARG 25 HE ARG 25 -8.105 8.118 1.286 160 HH11 ARG 25 1HH1 ARG 25 -8.006 9.300 -1.987 161 HH12 ARG 25 2HH1 ARG 25 -8.278 10.951 -1.537 162 HH21 ARG 25 1HH2 ARG 25 -8.463 10.288 1.891 163 HH22 ARG 25 2HH2 ARG 25 -8.537 11.512 0.669 164 H SER 26 H SER 26 -7.687 6.926 3.531 165 HA SER 26 HA SER 26 -5.663 8.644 3.322 166 HB2 SER 26 1HB SER 26 -6.963 7.877 5.946 167 HB3 SER 26 2HB SER 26 -6.062 9.366 5.658 168 HG SER 26 HG SER 26 -8.442 8.548 4.343 169 H ASN 27 H ASN 27 -5.622 6.082 5.806 170 HA ASN 27 HA ASN 27 -3.131 6.442 6.850 171 HB2 ASN 27 1HB ASN 27 -4.613 3.879 6.265 172 HB3 ASN 27 2HB ASN 27 -3.096 3.911 7.160 173 HD21 ASN 27 1HD2 ASN 27 -4.942 2.847 8.559 174 HD22 ASN 27 2HD2 ASN 27 -5.643 3.918 9.719 175 H LEU 28 H LEU 28 -3.884 4.411 4.019 176 HA LEU 28 HA LEU 28 -1.367 3.539 3.369 177 HB2 LEU 28 1HB LEU 28 -3.290 2.762 2.175 178 HB3 LEU 28 2HB LEU 28 -3.619 4.379 1.556 179 HG LEU 28 HG LEU 28 -1.514 4.239 0.238 180 HD11 LEU 28 1HD1 LEU 28 -0.074 2.720 1.089 181 HD12 LEU 28 2HD1 LEU 28 -0.902 1.650 -0.043 182 HD13 LEU 28 3HD1 LEU 28 -1.359 1.655 1.660 183 HD21 LEU 28 3HD2 LEU 28 -3.574 2.089 -0.245 184 HD22 LEU 28 1HD2 LEU 28 -2.400 2.655 -1.433 185 HD23 LEU 28 2HD2 LEU 28 -3.633 3.756 -0.820 186 H ILE 29 H ILE 29 -2.896 6.565 2.281 187 HA ILE 29 HA ILE 29 -0.793 7.546 0.751 188 HB ILE 29 HB ILE 29 -2.709 9.178 2.420 189 HG12 ILE 29 1HG1 ILE 29 -3.061 8.607 -0.500 190 HG13 ILE 29 2HG1 ILE 29 -3.578 7.410 0.683 191 HG21 ILE 29 1HG2 ILE 29 -2.212 11.008 1.023 192 HG22 ILE 29 2HG2 ILE 29 -0.653 10.312 1.461 193 HG23 ILE 29 3HG2 ILE 29 -1.345 9.994 -0.130 194 HD11 ILE 29 3HD1 ILE 29 -4.942 9.719 -0.212 195 HD12 ILE 29 1HD1 ILE 29 -5.469 8.512 0.961 196 HD13 ILE 29 2HD1 ILE 29 -4.573 9.934 1.499 197 H LYS 30 H LYS 30 -1.444 7.980 4.213 198 HA LYS 30 HA LYS 30 0.768 9.665 4.724 199 HB2 LYS 30 1HB LYS 30 -1.093 9.561 6.271 200 HB3 LYS 30 2HB LYS 30 -0.805 7.850 6.561 201 HG2 LYS 30 1HG LYS 30 1.272 8.330 7.665 202 HG3 LYS 30 2HG LYS 30 1.143 10.040 7.249 203 HD2 LYS 30 1HD LYS 30 -0.845 8.556 8.964 204 HD3 LYS 30 2HD LYS 30 0.499 9.508 9.600 205 HE2 LYS 30 1HE LYS 30 -0.462 11.428 8.191 206 HE3 LYS 30 2HE LYS 30 -1.918 10.440 8.083 207 HZ1 LYS 30 3HZ LYS 30 -1.156 10.489 10.755 208 HZ2 LYS 30 1HZ LYS 30 -2.510 11.220 10.052 209 HZ3 LYS 30 2HZ LYS 30 -1.065 12.085 10.201 210 H HIS 31 H HIS 31 0.390 6.195 4.567 211 HA HIS 31 HA HIS 31 2.826 5.512 5.854 212 HB2 HIS 31 1HB HIS 31 1.349 3.728 5.760 213 HB3 HIS 31 2HB HIS 31 0.878 4.070 4.098 214 HD1 HIS 31 HD1 HIS 31 3.611 2.444 6.106 215 HD2 HIS 31 HD2 HIS 31 2.376 2.792 2.154 216 HE1 HIS 31 HE1 HIS 31 5.000 0.789 4.820 217 H GLN 32 H GLN 32 1.927 6.078 2.484 218 HA GLN 32 HA GLN 32 4.245 5.237 1.221 219 HB2 GLN 32 1HB GLN 32 2.523 7.611 0.486 220 HB3 GLN 32 2HB GLN 32 3.649 6.787 -0.585 221 HG2 GLN 32 1HG GLN 32 1.515 5.178 0.706 222 HG3 GLN 32 2HG GLN 32 1.066 6.266 -0.607 223 HE21 GLN 32 1HE2 GLN 32 0.598 4.751 -2.119 224 HE22 GLN 32 2HE2 GLN 32 1.763 3.668 -2.792 225 H LYS 33 H LYS 33 3.660 8.088 3.122 226 HA LYS 33 HA LYS 33 5.637 9.812 2.302 227 HB2 LYS 33 1HB LYS 33 4.605 9.204 5.069 228 HB3 LYS 33 2HB LYS 33 5.753 10.499 4.755 229 HG2 LYS 33 1HG LYS 33 4.209 11.737 3.529 230 HG3 LYS 33 2HG LYS 33 3.155 10.344 3.274 231 HD2 LYS 33 1HD LYS 33 2.550 10.337 5.623 232 HD3 LYS 33 2HD LYS 33 3.670 11.664 5.939 233 HE2 LYS 33 1HE LYS 33 2.287 12.916 4.133 234 HE3 LYS 33 2HE LYS 33 1.065 11.690 4.463 235 HZ1 LYS 33 3HZ LYS 33 0.437 13.129 6.045 236 HZ2 LYS 33 1HZ LYS 33 1.932 13.919 6.092 237 HZ3 LYS 33 2HZ LYS 33 1.715 12.470 6.936 238 H ILE 34 H ILE 34 6.007 6.713 3.687 239 HA ILE 34 HA ILE 34 8.649 7.129 4.747 240 HB ILE 34 HB ILE 34 8.672 4.849 5.308 241 HG12 ILE 34 1HG1 ILE 34 6.403 4.409 3.354 242 HG13 ILE 34 2HG1 ILE 34 8.089 4.004 3.049 243 HG21 ILE 34 1HG2 ILE 34 7.164 5.708 6.794 244 HG22 ILE 34 2HG2 ILE 34 6.010 6.151 5.538 245 HG23 ILE 34 3HG2 ILE 34 6.166 4.467 6.037 246 HD11 ILE 34 3HD1 ILE 34 6.197 2.752 5.007 247 HD12 ILE 34 1HD1 ILE 34 7.053 1.997 3.662 248 HD13 ILE 34 2HD1 ILE 34 7.942 2.516 5.095 249 H HIS 35 H HIS 35 7.251 5.936 1.756 250 HA HIS 35 HA HIS 35 9.800 5.070 0.704 251 HB2 HIS 35 1HB HIS 35 7.166 5.390 -0.747 252 HB3 HIS 35 2HB HIS 35 8.569 4.478 -1.297 253 HD1 HIS 35 HD1 HIS 35 9.253 2.651 0.892 254 HD2 HIS 35 HD2 HIS 35 5.301 3.621 0.052 255 HE1 HIS 35 HE1 HIS 35 7.880 0.784 1.868 256 H THR 36 H THR 36 7.761 7.890 0.560 257 HA THR 36 HA THR 36 9.408 9.082 -1.544 258 HB THR 36 HB THR 36 6.991 9.331 -1.797 259 HG1 THR 36 HG1 THR 36 8.659 11.539 -1.405 260 HG21 THR 36 3HG2 THR 36 6.027 9.319 0.304 261 HG22 THR 36 1HG2 THR 36 5.935 11.029 -0.112 262 HG23 THR 36 2HG2 THR 36 7.205 10.451 0.967 263 H GLY 37 H GLY 37 10.975 8.769 0.566 264 HA2 GLY 37 1HA GLY 37 11.086 11.458 1.789 265 HA3 GLY 37 2HA GLY 37 11.504 10.003 2.680 266 H GLU 38 H GLU 38 12.627 12.471 0.627 267 HA GLU 38 HA GLU 38 14.820 11.343 -0.630 268 HB2 GLU 38 1HB GLU 38 14.246 14.092 0.416 269 HB3 GLU 38 2HB GLU 38 15.837 13.722 -0.233 270 HG2 GLU 38 1HG GLU 38 14.424 12.793 -2.251 271 HG3 GLU 38 2HG GLU 38 13.218 13.912 -1.617 272 H LYS 39 H LYS 39 17.061 11.299 -0.101 273 HA LYS 39 HA LYS 39 17.639 11.303 2.786 274 HB2 LYS 39 1HB LYS 39 18.098 9.165 0.761 275 HB3 LYS 39 2HB LYS 39 19.320 9.390 2.006 276 HG2 LYS 39 1HG LYS 39 17.369 9.252 3.665 277 HG3 LYS 39 2HG LYS 39 16.452 8.585 2.312 278 HD2 LYS 39 1HD LYS 39 17.915 6.735 2.112 279 HD3 LYS 39 2HD LYS 39 19.114 7.476 3.175 280 HE2 LYS 39 1HE LYS 39 16.352 6.855 4.160 281 HE3 LYS 39 2HE LYS 39 17.597 5.607 4.112 282 HZ1 LYS 39 3HZ LYS 39 17.306 7.845 5.906 283 HZ2 LYS 39 1HZ LYS 39 18.876 7.651 5.306 284 HZ3 LYS 39 2HZ LYS 39 18.121 6.380 6.127 285 HA PRO 40 HA PRO 40 21.167 13.750 1.874 286 HB2 PRO 40 1HB PRO 40 22.931 12.876 3.744 287 HB3 PRO 40 2HB PRO 40 21.527 13.873 4.140 288 HG2 PRO 40 1HG PRO 40 21.873 10.909 4.379 289 HG3 PRO 40 2HG PRO 40 21.128 12.044 5.520 290 HD2 PRO 40 1HD PRO 40 19.671 10.486 3.852 291 HD3 PRO 40 2HD PRO 40 19.140 12.104 4.355 292 H SER 41 H SER 41 21.050 10.533 1.157 293 HA SER 41 HA SER 41 23.583 10.676 -0.298 294 HB2 SER 41 1HB SER 41 22.781 8.429 1.557 295 HB3 SER 41 2HB SER 41 24.047 8.274 0.340 296 HG SER 41 HG SER 41 24.481 9.040 2.692 297 H GLY 42 H GLY 42 23.731 9.114 -2.055 298 HA2 GLY 42 1HA GLY 42 21.217 8.866 -3.421 299 HA3 GLY 42 2HA GLY 42 22.787 8.361 -4.026 300 HA PRO 43 HA PRO 43 21.865 4.146 -3.285 301 HB2 PRO 43 1HB PRO 43 24.170 3.159 -2.244 302 HB3 PRO 43 2HB PRO 43 24.006 3.631 -3.939 303 HG2 PRO 43 1HG PRO 43 25.210 5.150 -1.658 304 HG3 PRO 43 2HG PRO 43 25.805 4.967 -3.319 305 HD2 PRO 43 1HD PRO 43 24.496 7.183 -2.476 306 HD3 PRO 43 2HD PRO 43 24.378 6.580 -4.141 307 H SER 44 H SER 44 20.855 2.942 -1.778 308 HA SER 44 HA SER 44 20.459 3.930 0.831 309 HB2 SER 44 1HB SER 44 19.786 1.320 -0.513 310 HB3 SER 44 2HB SER 44 19.427 1.591 1.192 311 HG SER 44 HG SER 44 18.560 3.275 -0.922 312 H SER 45 H SER 45 20.777 2.496 2.812 313 HA SER 45 HA SER 45 23.324 2.377 3.631 314 HB2 SER 45 1HB SER 45 21.271 0.261 4.320 315 HB3 SER 45 2HB SER 45 22.688 0.688 5.279 316 HG SER 45 HG SER 45 21.760 2.550 5.859 317 H GLY 46 H GLY 46 21.669 -0.318 1.997 318 HA2 GLY 46 1HA GLY 46 23.769 -1.135 0.415 319 HA3 GLY 46 2HA GLY 46 23.994 -1.978 1.941 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.250 -32.715 -8.985 2 HA2 GLY 1 1HA GLY 1 -0.714 -30.416 -10.550 3 HA3 GLY 1 2HA GLY 1 -1.579 -31.929 -10.325 4 H SER 2 H SER 2 -0.862 -28.809 -9.006 5 HA SER 2 HA SER 2 -2.902 -29.269 -6.931 6 HB2 SER 2 1HB SER 2 -0.367 -28.985 -6.228 7 HB3 SER 2 2HB SER 2 -0.723 -27.274 -6.465 8 HG SER 2 HG SER 2 -1.512 -27.393 -4.524 9 H SER 3 H SER 3 -4.421 -27.698 -6.661 10 HA SER 3 HA SER 3 -4.358 -25.498 -8.611 11 HB2 SER 3 1HB SER 3 -6.543 -27.155 -7.447 12 HB3 SER 3 2HB SER 3 -6.915 -25.478 -7.845 13 HG SER 3 HG SER 3 -7.204 -27.159 -9.546 14 H GLY 4 H GLY 4 -4.546 -23.403 -7.980 15 HA2 GLY 4 1HA GLY 4 -5.554 -21.965 -6.127 16 HA3 GLY 4 2HA GLY 4 -4.531 -22.928 -5.069 17 H SER 5 H SER 5 -4.510 -20.052 -5.477 18 HA SER 5 HA SER 5 -1.777 -19.748 -6.539 19 HB2 SER 5 1HB SER 5 -3.984 -17.674 -6.518 20 HB3 SER 5 2HB SER 5 -2.353 -17.441 -7.146 21 HG SER 5 HG SER 5 -4.348 -19.201 -8.128 22 H SER 6 H SER 6 -0.323 -18.510 -5.377 23 HA SER 6 HA SER 6 -0.996 -18.162 -2.563 24 HB2 SER 6 1HB SER 6 1.065 -19.349 -3.029 25 HB3 SER 6 2HB SER 6 1.647 -18.021 -4.033 26 HG SER 6 HG SER 6 1.044 -17.786 -1.271 27 H GLY 7 H GLY 7 -1.972 -16.281 -2.124 28 HA2 GLY 7 1HA GLY 7 -1.413 -13.945 -1.581 29 HA3 GLY 7 2HA GLY 7 -0.717 -13.826 -3.191 30 H THR 8 H THR 8 -3.232 -12.828 -1.445 31 HA THR 8 HA THR 8 -4.845 -12.333 -3.803 32 HB THR 8 HB THR 8 -6.090 -13.690 -1.405 33 HG1 THR 8 HG1 THR 8 -5.549 -15.473 -2.393 34 HG21 THR 8 3HG2 THR 8 -7.679 -13.741 -3.779 35 HG22 THR 8 1HG2 THR 8 -7.197 -12.077 -3.449 36 HG23 THR 8 2HG2 THR 8 -8.048 -13.009 -2.218 37 H GLY 9 H GLY 9 -5.997 -10.452 -3.677 38 HA2 GLY 9 1HA GLY 9 -5.345 -8.679 -1.508 39 HA3 GLY 9 2HA GLY 9 -6.314 -8.289 -2.921 40 H GLU 10 H GLU 10 -6.466 -8.325 0.283 41 HA GLU 10 HA GLU 10 -9.280 -9.193 0.355 42 HB2 GLU 10 1HB GLU 10 -7.114 -9.256 2.431 43 HB3 GLU 10 2HB GLU 10 -8.805 -9.226 2.913 44 HG2 GLU 10 1HG GLU 10 -7.886 -11.249 0.928 45 HG3 GLU 10 2HG GLU 10 -7.541 -11.488 2.640 46 H ARG 11 H ARG 11 -7.041 -6.613 0.957 47 HA ARG 11 HA ARG 11 -9.164 -4.951 2.112 48 HB2 ARG 11 1HB ARG 11 -6.176 -4.823 2.128 49 HB3 ARG 11 2HB ARG 11 -7.094 -3.337 2.333 50 HG2 ARG 11 1HG ARG 11 -8.355 -4.741 4.156 51 HG3 ARG 11 2HG ARG 11 -6.869 -5.692 4.133 52 HD2 ARG 11 1HD ARG 11 -5.626 -3.507 4.427 53 HD3 ARG 11 2HD ARG 11 -7.192 -2.767 4.756 54 HE ARG 11 HE ARG 11 -5.646 -4.338 6.546 55 HH11 ARG 11 1HH1 ARG 11 -8.922 -3.620 5.612 56 HH12 ARG 11 2HH1 ARG 11 -9.587 -4.000 7.166 57 HH21 ARG 11 1HH2 ARG 11 -6.509 -4.841 8.596 58 HH22 ARG 11 2HH2 ARG 11 -8.213 -4.693 8.863 59 HA PRO 12 HA PRO 12 -9.753 -2.618 -1.559 60 HB2 PRO 12 1HB PRO 12 -10.296 -0.161 -0.538 61 HB3 PRO 12 2HB PRO 12 -11.431 -1.513 -0.444 62 HG2 PRO 12 1HG PRO 12 -9.544 -0.475 1.636 63 HG3 PRO 12 2HG PRO 12 -11.231 -0.994 1.814 64 HD2 PRO 12 1HD PRO 12 -9.141 -2.576 2.493 65 HD3 PRO 12 2HD PRO 12 -10.670 -3.229 1.870 66 H TYR 13 H TYR 13 -7.461 -1.402 0.814 67 HA TYR 13 HA TYR 13 -5.954 -0.135 -1.379 68 HB2 TYR 13 1HB TYR 13 -5.744 0.839 1.450 69 HB3 TYR 13 2HB TYR 13 -5.384 1.691 -0.047 70 HD1 TYR 13 HD1 TYR 13 -7.383 2.270 -1.570 71 HD2 TYR 13 HD2 TYR 13 -7.793 1.160 2.516 72 HE1 TYR 13 HE1 TYR 13 -9.609 3.315 -1.516 73 HE2 TYR 13 HE2 TYR 13 -10.020 2.200 2.582 74 HH TYR 13 HH TYR 13 -11.869 2.725 0.493 75 H ILE 14 H ILE 14 -3.908 -0.780 -1.626 76 HA ILE 14 HA ILE 14 -2.442 -1.942 0.602 77 HB ILE 14 HB ILE 14 -2.931 -3.483 -1.949 78 HG12 ILE 14 1HG1 ILE 14 -3.705 -5.183 -0.090 79 HG13 ILE 14 2HG1 ILE 14 -3.938 -3.720 0.859 80 HG21 ILE 14 1HG2 ILE 14 -0.594 -3.553 -0.888 81 HG22 ILE 14 2HG2 ILE 14 -1.366 -4.458 0.413 82 HG23 ILE 14 3HG2 ILE 14 -1.394 -5.085 -1.235 83 HD11 ILE 14 3HD1 ILE 14 -5.109 -3.312 -1.690 84 HD12 ILE 14 1HD1 ILE 14 -5.657 -4.868 -1.066 85 HD13 ILE 14 2HD1 ILE 14 -5.893 -3.403 -0.113 86 H CYS 15 H CYS 15 -0.432 -1.193 0.576 87 HA CYS 15 HA CYS 15 0.558 0.449 -1.486 88 HB2 CYS 15 1HB CYS 15 1.271 0.624 0.875 89 HB3 CYS 15 2HB CYS 15 2.098 -0.923 0.728 90 H THR 16 H THR 16 2.002 0.100 -3.121 91 HA THR 16 HA THR 16 2.465 -2.706 -3.831 92 HB THR 16 HB THR 16 3.005 -1.838 -6.092 93 HG1 THR 16 HG1 THR 16 2.702 0.346 -6.523 94 HG21 THR 16 3HG2 THR 16 0.722 -2.538 -5.572 95 HG22 THR 16 1HG2 THR 16 0.720 -1.181 -6.697 96 HG23 THR 16 2HG2 THR 16 0.346 -0.915 -4.994 97 H VAL 17 H VAL 17 4.118 0.237 -2.996 98 HA VAL 17 HA VAL 17 6.672 -0.271 -3.971 99 HB VAL 17 HB VAL 17 5.933 1.111 -1.388 100 HG11 VAL 17 1HG1 VAL 17 8.134 2.327 -1.897 101 HG12 VAL 17 2HG1 VAL 17 8.227 0.695 -1.232 102 HG13 VAL 17 3HG1 VAL 17 8.486 0.962 -2.957 103 HG21 VAL 17 3HG2 VAL 17 6.709 2.801 -3.606 104 HG22 VAL 17 1HG2 VAL 17 5.296 1.820 -3.995 105 HG23 VAL 17 2HG2 VAL 17 5.276 2.875 -2.582 106 H CYS 18 H CYS 18 5.477 -0.928 -0.671 107 HA CYS 18 HA CYS 18 7.664 -2.848 -0.320 108 HB2 CYS 18 1HB CYS 18 7.126 -2.740 2.073 109 HB3 CYS 18 2HB CYS 18 7.425 -1.134 1.416 110 H GLY 19 H GLY 19 4.140 -2.581 0.034 111 HA2 GLY 19 1HA GLY 19 2.817 -4.450 -0.861 112 HA3 GLY 19 2HA GLY 19 4.014 -5.527 -0.158 113 H LYS 20 H LYS 20 2.562 -2.675 1.340 114 HA LYS 20 HA LYS 20 1.627 -4.390 3.524 115 HB2 LYS 20 1HB LYS 20 3.105 -2.361 3.937 116 HB3 LYS 20 2HB LYS 20 1.718 -1.374 3.493 117 HG2 LYS 20 1HG LYS 20 0.470 -2.115 5.352 118 HG3 LYS 20 2HG LYS 20 1.608 -3.421 5.688 119 HD2 LYS 20 1HD LYS 20 2.561 -0.590 5.725 120 HD3 LYS 20 2HD LYS 20 1.662 -1.223 7.106 121 HE2 LYS 20 1HE LYS 20 4.071 -2.604 5.946 122 HE3 LYS 20 2HE LYS 20 4.184 -1.402 7.231 123 HZ1 LYS 20 3HZ LYS 20 3.945 -3.979 7.717 124 HZ2 LYS 20 1HZ LYS 20 2.300 -3.592 7.631 125 HZ3 LYS 20 2HZ LYS 20 3.297 -2.804 8.747 126 H ALA 21 H ALA 21 -0.464 -3.743 4.564 127 HA ALA 21 HA ALA 21 -2.425 -2.876 2.541 128 HB1 ALA 21 3HB ALA 21 -2.228 -5.420 3.590 129 HB2 ALA 21 1HB ALA 21 -3.513 -4.678 4.543 130 HB3 ALA 21 2HB ALA 21 -3.637 -4.732 2.784 131 H PHE 22 H PHE 22 -4.183 -1.666 3.264 132 HA PHE 22 HA PHE 22 -4.231 -0.893 6.086 133 HB2 PHE 22 1HB PHE 22 -4.072 1.058 3.781 134 HB3 PHE 22 2HB PHE 22 -4.431 1.505 5.445 135 HD1 PHE 22 HD2 PHE 22 -1.841 0.068 3.237 136 HD2 PHE 22 HD1 PHE 22 -2.715 1.809 7.021 137 HE1 PHE 22 HE2 PHE 22 0.568 0.270 3.696 138 HE2 PHE 22 HE1 PHE 22 -0.308 2.015 7.486 139 HZ PHE 22 HZ PHE 22 1.337 1.244 5.823 140 H THR 23 H THR 23 -6.228 -0.079 6.813 141 HA THR 23 HA THR 23 -8.495 -1.154 5.453 142 HB THR 23 HB THR 23 -8.505 0.727 7.819 143 HG1 THR 23 HG1 THR 23 -8.720 -2.060 8.092 144 HG21 THR 23 3HG2 THR 23 -10.699 0.519 6.927 145 HG22 THR 23 1HG2 THR 23 -10.627 -0.552 8.326 146 HG23 THR 23 2HG2 THR 23 -10.515 -1.220 6.697 147 H ASP 24 H ASP 24 -7.721 2.191 6.437 148 HA ASP 24 HA ASP 24 -9.529 3.154 4.333 149 HB2 ASP 24 1HB ASP 24 -8.575 4.274 6.930 150 HB3 ASP 24 2HB ASP 24 -8.998 5.400 5.643 151 H ARG 25 H ARG 25 -8.824 4.349 2.648 152 HA ARG 25 HA ARG 25 -6.294 4.181 1.657 153 HB2 ARG 25 1HB ARG 25 -8.124 4.970 0.294 154 HB3 ARG 25 2HB ARG 25 -8.286 6.419 1.277 155 HG2 ARG 25 1HG ARG 25 -5.950 7.028 0.558 156 HG3 ARG 25 2HG ARG 25 -6.057 5.705 -0.605 157 HD2 ARG 25 1HD ARG 25 -8.110 6.766 -1.526 158 HD3 ARG 25 2HD ARG 25 -7.837 8.132 -0.444 159 HE ARG 25 HE ARG 25 -5.577 7.533 -2.106 160 HH11 ARG 25 1HH1 ARG 25 -8.621 9.214 -1.934 161 HH12 ARG 25 2HH1 ARG 25 -8.196 10.376 -3.146 162 HH21 ARG 25 1HH2 ARG 25 -5.006 9.057 -3.704 163 HH22 ARG 25 2HH2 ARG 25 -6.140 10.285 -4.153 164 H SER 26 H SER 26 -7.587 6.939 3.506 165 HA SER 26 HA SER 26 -5.582 8.700 3.569 166 HB2 SER 26 1HB SER 26 -6.980 7.712 6.067 167 HB3 SER 26 2HB SER 26 -6.177 9.270 5.877 168 HG SER 26 HG SER 26 -7.786 9.300 3.930 169 H ASN 27 H ASN 27 -5.660 5.887 5.762 170 HA ASN 27 HA ASN 27 -3.189 6.238 6.955 171 HB2 ASN 27 1HB ASN 27 -5.104 4.450 7.319 172 HB3 ASN 27 2HB ASN 27 -4.076 3.465 6.282 173 HD21 ASN 27 1HD2 ASN 27 -4.803 3.979 9.360 174 HD22 ASN 27 2HD2 ASN 27 -3.291 3.624 10.117 175 H LEU 28 H LEU 28 -3.968 4.448 3.987 176 HA LEU 28 HA LEU 28 -1.421 3.477 3.420 177 HB2 LEU 28 1HB LEU 28 -3.358 2.701 2.224 178 HB3 LEU 28 2HB LEU 28 -3.643 4.310 1.563 179 HG LEU 28 HG LEU 28 -1.528 4.105 0.282 180 HD11 LEU 28 1HD1 LEU 28 -0.763 1.642 0.042 181 HD12 LEU 28 2HD1 LEU 28 -1.497 1.438 1.633 182 HD13 LEU 28 3HD1 LEU 28 -0.186 2.597 1.409 183 HD21 LEU 28 3HD2 LEU 28 -2.997 1.703 -0.554 184 HD22 LEU 28 1HD2 LEU 28 -2.632 3.182 -1.443 185 HD23 LEU 28 2HD2 LEU 28 -3.990 3.142 -0.319 186 H ILE 29 H ILE 29 -2.943 6.525 2.409 187 HA ILE 29 HA ILE 29 -0.888 7.517 0.825 188 HB ILE 29 HB ILE 29 -2.728 9.114 2.611 189 HG12 ILE 29 1HG1 ILE 29 -3.073 8.441 -0.314 190 HG13 ILE 29 2HG1 ILE 29 -3.823 7.516 0.982 191 HG21 ILE 29 1HG2 ILE 29 -2.221 11.003 1.320 192 HG22 ILE 29 2HG2 ILE 29 -0.661 10.244 1.633 193 HG23 ILE 29 3HG2 ILE 29 -1.440 10.043 0.064 194 HD11 ILE 29 3HD1 ILE 29 -4.984 9.562 1.717 195 HD12 ILE 29 1HD1 ILE 29 -4.292 10.416 0.339 196 HD13 ILE 29 2HD1 ILE 29 -5.406 9.074 0.076 197 H LYS 30 H LYS 30 -1.481 8.198 4.277 198 HA LYS 30 HA LYS 30 0.814 9.714 4.733 199 HB2 LYS 30 1HB LYS 30 -0.931 9.712 6.367 200 HB3 LYS 30 2HB LYS 30 -0.816 7.970 6.580 201 HG2 LYS 30 1HG LYS 30 1.577 9.633 7.172 202 HG3 LYS 30 2HG LYS 30 0.234 9.634 8.317 203 HD2 LYS 30 1HD LYS 30 1.215 7.014 7.307 204 HD3 LYS 30 2HD LYS 30 2.209 7.877 8.483 205 HE2 LYS 30 1HE LYS 30 -0.704 7.175 8.838 206 HE3 LYS 30 2HE LYS 30 0.648 6.289 9.541 207 HZ1 LYS 30 3HZ LYS 30 -0.556 8.768 10.379 208 HZ2 LYS 30 1HZ LYS 30 1.134 8.817 10.333 209 HZ3 LYS 30 2HZ LYS 30 0.348 7.649 11.269 210 H HIS 31 H HIS 31 0.351 6.249 4.621 211 HA HIS 31 HA HIS 31 2.783 5.489 5.840 212 HB2 HIS 31 1HB HIS 31 1.220 3.764 5.685 213 HB3 HIS 31 2HB HIS 31 0.842 4.124 4.003 214 HD1 HIS 31 HD1 HIS 31 3.425 2.419 6.139 215 HD2 HIS 31 HD2 HIS 31 2.406 2.818 2.131 216 HE1 HIS 31 HE1 HIS 31 4.836 0.734 4.915 217 H GLN 32 H GLN 32 1.882 5.985 2.442 218 HA GLN 32 HA GLN 32 4.206 5.195 1.197 219 HB2 GLN 32 1HB GLN 32 2.309 7.440 0.524 220 HB3 GLN 32 2HB GLN 32 3.629 6.961 -0.535 221 HG2 GLN 32 1HG GLN 32 1.692 4.901 0.399 222 HG3 GLN 32 2HG GLN 32 1.222 6.015 -0.883 223 HE21 GLN 32 1HE2 GLN 32 1.074 4.002 -2.119 224 HE22 GLN 32 2HE2 GLN 32 2.500 3.391 -2.879 225 H LYS 33 H LYS 33 3.666 7.959 3.194 226 HA LYS 33 HA LYS 33 5.562 9.767 2.386 227 HB2 LYS 33 1HB LYS 33 4.820 8.964 5.204 228 HB3 LYS 33 2HB LYS 33 5.769 10.390 4.803 229 HG2 LYS 33 1HG LYS 33 3.051 9.958 3.622 230 HG3 LYS 33 2HG LYS 33 3.257 10.670 5.224 231 HD2 LYS 33 1HD LYS 33 4.227 12.581 4.398 232 HD3 LYS 33 2HD LYS 33 4.841 11.774 2.954 233 HE2 LYS 33 1HE LYS 33 2.741 11.825 1.903 234 HE3 LYS 33 2HE LYS 33 1.901 12.182 3.412 235 HZ1 LYS 33 3HZ LYS 33 1.999 14.298 2.791 236 HZ2 LYS 33 1HZ LYS 33 3.082 13.974 1.532 237 HZ3 LYS 33 2HZ LYS 33 3.662 14.249 3.097 238 H ILE 34 H ILE 34 6.056 6.634 3.764 239 HA ILE 34 HA ILE 34 8.783 7.075 4.549 240 HB ILE 34 HB ILE 34 8.878 4.785 5.110 241 HG12 ILE 34 1HG1 ILE 34 6.452 4.422 3.340 242 HG13 ILE 34 2HG1 ILE 34 8.077 3.820 3.033 243 HG21 ILE 34 1HG2 ILE 34 7.586 5.581 6.789 244 HG22 ILE 34 2HG2 ILE 34 6.348 6.193 5.693 245 HG23 ILE 34 3HG2 ILE 34 6.406 4.475 6.086 246 HD11 ILE 34 3HD1 ILE 34 6.011 2.829 4.925 247 HD12 ILE 34 1HD1 ILE 34 7.045 1.937 3.809 248 HD13 ILE 34 2HD1 ILE 34 7.715 2.583 5.308 249 H HIS 35 H HIS 35 7.121 5.907 1.700 250 HA HIS 35 HA HIS 35 9.610 5.082 0.436 251 HB2 HIS 35 1HB HIS 35 6.837 5.139 -0.764 252 HB3 HIS 35 2HB HIS 35 8.240 4.261 -1.367 253 HD1 HIS 35 HD1 HIS 35 9.204 2.570 0.770 254 HD2 HIS 35 HD2 HIS 35 5.151 3.415 0.427 255 HE1 HIS 35 HE1 HIS 35 8.027 0.733 2.019 256 H THR 36 H THR 36 9.001 7.921 1.142 257 HA THR 36 HA THR 36 9.486 9.049 -1.530 258 HB THR 36 HB THR 36 8.115 10.959 -1.107 259 HG1 THR 36 HG1 THR 36 6.852 10.896 0.972 260 HG21 THR 36 3HG2 THR 36 6.198 8.993 -0.055 261 HG22 THR 36 1HG2 THR 36 7.083 8.472 -1.488 262 HG23 THR 36 2HG2 THR 36 6.137 9.960 -1.529 263 H GLY 37 H GLY 37 11.685 9.250 -1.185 264 HA2 GLY 37 1HA GLY 37 12.464 11.087 0.997 265 HA3 GLY 37 2HA GLY 37 13.489 9.780 0.423 266 H GLU 38 H GLU 38 12.328 12.995 -0.173 267 HA GLU 38 HA GLU 38 13.472 13.321 -2.755 268 HB2 GLU 38 1HB GLU 38 12.579 15.288 -0.651 269 HB3 GLU 38 2HB GLU 38 13.236 15.794 -2.201 270 HG2 GLU 38 1HG GLU 38 10.746 15.755 -2.068 271 HG3 GLU 38 2HG GLU 38 11.436 14.811 -3.387 272 H LYS 39 H LYS 39 14.556 14.217 0.507 273 HA LYS 39 HA LYS 39 16.992 15.394 -0.301 274 HB2 LYS 39 1HB LYS 39 16.467 14.065 2.357 275 HB3 LYS 39 2HB LYS 39 17.602 15.364 2.012 276 HG2 LYS 39 1HG LYS 39 14.725 15.848 1.466 277 HG3 LYS 39 2HG LYS 39 15.265 15.816 3.147 278 HD2 LYS 39 1HD LYS 39 15.594 18.028 2.696 279 HD3 LYS 39 2HD LYS 39 17.159 17.399 2.177 280 HE2 LYS 39 1HE LYS 39 16.464 18.817 0.439 281 HE3 LYS 39 2HE LYS 39 16.124 17.187 -0.139 282 HZ1 LYS 39 3HZ LYS 39 14.351 19.105 -0.293 283 HZ2 LYS 39 1HZ LYS 39 13.993 18.598 1.280 284 HZ3 LYS 39 2HZ LYS 39 13.893 17.503 -0.004 285 HA PRO 40 HA PRO 40 19.537 11.929 -1.219 286 HB2 PRO 40 1HB PRO 40 21.970 12.943 -0.569 287 HB3 PRO 40 2HB PRO 40 21.075 13.443 -2.009 288 HG2 PRO 40 1HG PRO 40 21.298 14.802 0.649 289 HG3 PRO 40 2HG PRO 40 21.367 15.506 -0.977 290 HD2 PRO 40 1HD PRO 40 19.138 15.600 0.559 291 HD3 PRO 40 2HD PRO 40 19.074 15.501 -1.213 292 H SER 41 H SER 41 20.104 10.112 -0.184 293 HA SER 41 HA SER 41 21.480 10.036 2.290 294 HB2 SER 41 1HB SER 41 19.726 9.124 3.723 295 HB3 SER 41 2HB SER 41 19.257 10.722 3.143 296 HG SER 41 HG SER 41 18.472 8.531 1.615 297 H GLY 42 H GLY 42 21.458 7.719 3.204 298 HA2 GLY 42 1HA GLY 42 21.052 5.371 2.688 299 HA3 GLY 42 2HA GLY 42 21.169 5.791 0.986 300 HA PRO 43 HA PRO 43 25.321 4.414 2.903 301 HB2 PRO 43 1HB PRO 43 25.379 1.857 1.993 302 HB3 PRO 43 2HB PRO 43 24.712 2.301 3.569 303 HG2 PRO 43 1HG PRO 43 23.287 1.758 0.992 304 HG3 PRO 43 2HG PRO 43 22.869 1.233 2.634 305 HD2 PRO 43 1HD PRO 43 21.657 3.329 1.422 306 HD3 PRO 43 2HD PRO 43 21.919 3.262 3.176 307 H SER 44 H SER 44 25.933 5.954 1.233 308 HA SER 44 HA SER 44 26.164 5.027 -1.492 309 HB2 SER 44 1HB SER 44 27.273 7.232 -1.868 310 HB3 SER 44 2HB SER 44 25.681 7.373 -1.124 311 HG SER 44 HG SER 44 27.788 8.484 -0.237 312 H SER 45 H SER 45 27.817 3.939 -2.313 313 HA SER 45 HA SER 45 29.837 2.733 -1.054 314 HB2 SER 45 1HB SER 45 29.301 2.601 -3.524 315 HB3 SER 45 2HB SER 45 30.293 4.043 -3.740 316 HG SER 45 HG SER 45 31.875 2.594 -2.444 317 H GLY 46 H GLY 46 31.721 3.193 -0.076 318 HA2 GLY 46 1HA GLY 46 33.766 4.594 -0.109 319 HA3 GLY 46 2HA GLY 46 32.695 5.978 -0.266 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -3.147 -32.553 6.450 2 HA2 GLY 1 1HA GLY 1 -2.350 -32.745 8.985 3 HA3 GLY 1 2HA GLY 1 -1.186 -33.805 8.203 4 H SER 2 H SER 2 -1.027 -31.102 9.592 5 HA SER 2 HA SER 2 0.211 -29.202 9.418 6 HB2 SER 2 1HB SER 2 1.430 -30.763 7.133 7 HB3 SER 2 2HB SER 2 2.057 -29.215 7.698 8 HG SER 2 HG SER 2 1.674 -31.395 9.452 9 H SER 3 H SER 3 -2.328 -29.103 8.310 10 HA SER 3 HA SER 3 -1.982 -26.939 6.415 11 HB2 SER 3 1HB SER 3 -3.339 -27.845 4.672 12 HB3 SER 3 2HB SER 3 -2.139 -29.079 5.056 13 HG SER 3 HG SER 3 -3.961 -30.216 5.092 14 H GLY 4 H GLY 4 -3.529 -25.407 6.625 15 HA2 GLY 4 1HA GLY 4 -6.055 -25.197 7.029 16 HA3 GLY 4 2HA GLY 4 -5.680 -25.985 8.554 17 H SER 5 H SER 5 -6.878 -23.387 8.156 18 HA SER 5 HA SER 5 -5.421 -21.908 10.058 19 HB2 SER 5 1HB SER 5 -4.447 -20.164 8.817 20 HB3 SER 5 2HB SER 5 -4.025 -21.614 7.905 21 HG SER 5 HG SER 5 -4.880 -20.508 6.320 22 H SER 6 H SER 6 -6.479 -19.948 10.669 23 HA SER 6 HA SER 6 -8.855 -19.085 9.311 24 HB2 SER 6 1HB SER 6 -10.476 -19.694 10.975 25 HB3 SER 6 2HB SER 6 -9.605 -21.161 10.530 26 HG SER 6 HG SER 6 -9.959 -20.491 12.900 27 H GLY 7 H GLY 7 -9.910 -17.269 10.432 28 HA2 GLY 7 1HA GLY 7 -9.900 -15.356 11.728 29 HA3 GLY 7 2HA GLY 7 -8.627 -16.076 12.703 30 H THR 8 H THR 8 -9.354 -14.110 9.918 31 HA THR 8 HA THR 8 -6.805 -12.794 10.126 32 HB THR 8 HB THR 8 -6.212 -14.747 8.725 33 HG1 THR 8 HG1 THR 8 -5.274 -12.582 8.417 34 HG21 THR 8 3HG2 THR 8 -8.480 -13.704 7.078 35 HG22 THR 8 1HG2 THR 8 -8.086 -15.366 7.516 36 HG23 THR 8 2HG2 THR 8 -7.134 -14.527 6.290 37 H GLY 9 H GLY 9 -6.628 -10.959 8.593 38 HA2 GLY 9 1HA GLY 9 -9.282 -10.050 7.671 39 HA3 GLY 9 2HA GLY 9 -8.211 -8.989 8.574 40 H GLU 10 H GLU 10 -9.194 -8.267 6.094 41 HA GLU 10 HA GLU 10 -6.703 -8.013 4.610 42 HB2 GLU 10 1HB GLU 10 -9.202 -9.273 3.503 43 HB3 GLU 10 2HB GLU 10 -8.025 -8.494 2.455 44 HG2 GLU 10 1HG GLU 10 -7.363 -10.732 4.351 45 HG3 GLU 10 2HG GLU 10 -7.775 -10.961 2.652 46 H ARG 11 H ARG 11 -6.487 -6.066 3.643 47 HA ARG 11 HA ARG 11 -8.783 -4.235 3.834 48 HB2 ARG 11 1HB ARG 11 -5.811 -3.766 3.950 49 HB3 ARG 11 2HB ARG 11 -6.945 -2.454 3.660 50 HG2 ARG 11 1HG ARG 11 -6.338 -2.551 5.998 51 HG3 ARG 11 2HG ARG 11 -8.046 -2.943 5.791 52 HD2 ARG 11 1HD ARG 11 -7.735 -5.169 6.303 53 HD3 ARG 11 2HD ARG 11 -6.035 -5.145 5.834 54 HE ARG 11 HE ARG 11 -7.121 -4.554 8.417 55 HH11 ARG 11 1HH1 ARG 11 -4.477 -3.926 6.242 56 HH12 ARG 11 2HH1 ARG 11 -3.362 -3.523 7.505 57 HH21 ARG 11 1HH2 ARG 11 -5.663 -4.026 10.090 58 HH22 ARG 11 2HH2 ARG 11 -4.037 -3.581 9.694 59 HA PRO 12 HA PRO 12 -8.963 -3.877 -0.544 60 HB2 PRO 12 1HB PRO 12 -9.999 -1.377 -0.764 61 HB3 PRO 12 2HB PRO 12 -10.950 -2.768 -0.230 62 HG2 PRO 12 1HG PRO 12 -9.647 -0.624 1.404 63 HG3 PRO 12 2HG PRO 12 -11.257 -1.346 1.585 64 HD2 PRO 12 1HD PRO 12 -9.154 -2.069 3.130 65 HD3 PRO 12 2HD PRO 12 -10.439 -3.206 2.672 66 H TYR 13 H TYR 13 -7.804 -0.884 1.024 67 HA TYR 13 HA TYR 13 -6.236 -0.127 -1.248 68 HB2 TYR 13 1HB TYR 13 -5.991 0.969 1.554 69 HB3 TYR 13 2HB TYR 13 -5.564 1.766 0.044 70 HD1 TYR 13 HD2 TYR 13 -8.308 0.817 2.275 71 HD2 TYR 13 HD1 TYR 13 -7.276 2.749 -1.373 72 HE1 TYR 13 HE2 TYR 13 -10.547 1.830 2.185 73 HE2 TYR 13 HE1 TYR 13 -9.512 3.768 -1.473 74 HH TYR 13 HH TYR 13 -11.436 4.211 0.856 75 H ILE 14 H ILE 14 -4.212 -0.674 -1.729 76 HA ILE 14 HA ILE 14 -2.516 -1.814 0.390 77 HB ILE 14 HB ILE 14 -2.338 -2.822 -2.426 78 HG12 ILE 14 1HG1 ILE 14 -4.672 -3.153 -1.787 79 HG13 ILE 14 2HG1 ILE 14 -3.822 -4.695 -1.805 80 HG21 ILE 14 1HG2 ILE 14 -1.639 -3.994 0.262 81 HG22 ILE 14 2HG2 ILE 14 -1.428 -4.809 -1.287 82 HG23 ILE 14 3HG2 ILE 14 -0.512 -3.346 -0.929 83 HD11 ILE 14 3HD1 ILE 14 -3.723 -3.471 0.805 84 HD12 ILE 14 1HD1 ILE 14 -5.382 -3.671 0.240 85 HD13 ILE 14 2HD1 ILE 14 -4.305 -5.065 0.324 86 H CYS 15 H CYS 15 -0.229 -1.616 0.036 87 HA CYS 15 HA CYS 15 0.431 0.816 -1.439 88 HB2 CYS 15 1HB CYS 15 1.117 0.618 0.932 89 HB3 CYS 15 2HB CYS 15 2.106 -0.777 0.513 90 H THR 16 H THR 16 1.111 0.605 -3.458 91 HA THR 16 HA THR 16 2.255 -1.879 -4.403 92 HB THR 16 HB THR 16 0.679 -0.691 -5.842 93 HG1 THR 16 HG1 THR 16 2.431 -1.909 -6.794 94 HG21 THR 16 3HG2 THR 16 2.746 1.509 -5.804 95 HG22 THR 16 1HG2 THR 16 1.093 1.595 -5.197 96 HG23 THR 16 2HG2 THR 16 1.390 1.435 -6.928 97 H VAL 17 H VAL 17 3.811 -0.474 -2.445 98 HA VAL 17 HA VAL 17 6.205 0.117 -4.059 99 HB VAL 17 HB VAL 17 5.411 1.443 -1.463 100 HG11 VAL 17 1HG1 VAL 17 7.825 1.068 -1.617 101 HG12 VAL 17 2HG1 VAL 17 7.850 1.874 -3.187 102 HG13 VAL 17 3HG1 VAL 17 7.429 2.782 -1.735 103 HG21 VAL 17 3HG2 VAL 17 4.369 2.070 -3.811 104 HG22 VAL 17 1HG2 VAL 17 4.817 3.309 -2.639 105 HG23 VAL 17 2HG2 VAL 17 5.893 2.940 -3.986 106 H CYS 18 H CYS 18 4.957 -1.057 -0.961 107 HA CYS 18 HA CYS 18 7.438 -2.617 -0.644 108 HB2 CYS 18 1HB CYS 18 7.068 -2.517 1.791 109 HB3 CYS 18 2HB CYS 18 7.260 -0.912 1.094 110 H GLY 19 H GLY 19 3.933 -2.564 -0.212 111 HA2 GLY 19 1HA GLY 19 2.693 -4.539 -0.931 112 HA3 GLY 19 2HA GLY 19 3.987 -5.517 -0.254 113 H LYS 20 H LYS 20 2.080 -2.792 1.023 114 HA LYS 20 HA LYS 20 1.307 -4.530 3.275 115 HB2 LYS 20 1HB LYS 20 2.942 -2.830 3.969 116 HB3 LYS 20 2HB LYS 20 1.893 -1.563 3.346 117 HG2 LYS 20 1HG LYS 20 0.353 -1.816 5.052 118 HG3 LYS 20 2HG LYS 20 0.886 -3.457 5.426 119 HD2 LYS 20 1HD LYS 20 3.062 -2.465 6.199 120 HD3 LYS 20 2HD LYS 20 2.318 -0.874 6.026 121 HE2 LYS 20 1HE LYS 20 2.083 -1.468 8.302 122 HE3 LYS 20 2HE LYS 20 0.496 -1.698 7.569 123 HZ1 LYS 20 3HZ LYS 20 0.528 -3.834 8.109 124 HZ2 LYS 20 1HZ LYS 20 1.930 -3.547 9.012 125 HZ3 LYS 20 2HZ LYS 20 2.049 -4.071 7.408 126 H ALA 21 H ALA 21 -0.741 -4.036 4.281 127 HA ALA 21 HA ALA 21 -2.645 -2.852 2.372 128 HB1 ALA 21 3HB ALA 21 -3.911 -4.652 2.652 129 HB2 ALA 21 1HB ALA 21 -2.644 -5.349 3.662 130 HB3 ALA 21 2HB ALA 21 -3.939 -4.406 4.399 131 H PHE 22 H PHE 22 -4.464 -1.675 3.244 132 HA PHE 22 HA PHE 22 -4.265 -0.735 5.985 133 HB2 PHE 22 1HB PHE 22 -3.938 1.089 3.599 134 HB3 PHE 22 2HB PHE 22 -4.355 1.670 5.208 135 HD1 PHE 22 HD1 PHE 22 -2.738 1.486 7.049 136 HD2 PHE 22 HD2 PHE 22 -1.722 0.412 3.058 137 HE1 PHE 22 HE1 PHE 22 -0.350 1.571 7.637 138 HE2 PHE 22 HE2 PHE 22 0.667 0.495 3.640 139 HZ PHE 22 HZ PHE 22 1.356 1.074 5.932 140 H THR 23 H THR 23 -6.217 -0.316 6.835 141 HA THR 23 HA THR 23 -8.567 -1.033 5.513 142 HB THR 23 HB THR 23 -8.463 0.842 7.876 143 HG1 THR 23 HG1 THR 23 -8.229 -0.970 9.163 144 HG21 THR 23 3HG2 THR 23 -10.446 -1.355 7.430 145 HG22 THR 23 1HG2 THR 23 -10.640 0.188 6.601 146 HG23 THR 23 2HG2 THR 23 -10.615 0.131 8.363 147 H ASP 24 H ASP 24 -7.689 2.256 6.592 148 HA ASP 24 HA ASP 24 -9.526 3.364 4.616 149 HB2 ASP 24 1HB ASP 24 -7.923 5.097 6.441 150 HB3 ASP 24 2HB ASP 24 -9.583 5.288 5.883 151 H ARG 25 H ARG 25 -8.921 4.548 2.871 152 HA ARG 25 HA ARG 25 -6.527 4.132 1.605 153 HB2 ARG 25 1HB ARG 25 -8.494 5.049 0.479 154 HB3 ARG 25 2HB ARG 25 -8.318 6.556 1.368 155 HG2 ARG 25 1HG ARG 25 -6.099 6.861 0.281 156 HG3 ARG 25 2HG ARG 25 -6.446 5.439 -0.705 157 HD2 ARG 25 1HD ARG 25 -8.591 6.650 -1.380 158 HD3 ARG 25 2HD ARG 25 -7.855 8.092 -0.680 159 HE ARG 25 HE ARG 25 -6.508 8.241 -2.519 160 HH11 ARG 25 1HH1 ARG 25 -7.832 5.026 -2.351 161 HH12 ARG 25 2HH1 ARG 25 -7.203 4.545 -3.892 162 HH21 ARG 25 1HH2 ARG 25 -5.674 7.620 -4.549 163 HH22 ARG 25 2HH2 ARG 25 -5.974 6.021 -5.141 164 H SER 26 H SER 26 -7.410 6.930 3.613 165 HA SER 26 HA SER 26 -5.255 8.547 3.377 166 HB2 SER 26 1HB SER 26 -6.774 7.784 5.872 167 HB3 SER 26 2HB SER 26 -5.551 9.054 5.859 168 HG SER 26 HG SER 26 -7.103 10.291 5.190 169 H ASN 27 H ASN 27 -5.422 5.902 5.768 170 HA ASN 27 HA ASN 27 -2.905 6.012 6.806 171 HB2 ASN 27 1HB ASN 27 -4.615 3.616 6.149 172 HB3 ASN 27 2HB ASN 27 -3.085 3.469 7.008 173 HD21 ASN 27 1HD2 ASN 27 -2.959 5.282 8.814 174 HD22 ASN 27 2HD2 ASN 27 -4.322 5.293 9.875 175 H LEU 28 H LEU 28 -3.862 4.375 3.805 176 HA LEU 28 HA LEU 28 -1.344 3.319 3.161 177 HB2 LEU 28 1HB LEU 28 -3.272 2.500 2.038 178 HB3 LEU 28 2HB LEU 28 -3.692 4.109 1.454 179 HG LEU 28 HG LEU 28 -1.730 4.070 -0.025 180 HD11 LEU 28 1HD1 LEU 28 -0.153 2.466 -0.022 181 HD12 LEU 28 2HD1 LEU 28 -1.308 1.179 0.323 182 HD13 LEU 28 3HD1 LEU 28 -0.710 2.199 1.630 183 HD21 LEU 28 3HD2 LEU 28 -3.592 1.712 -0.291 184 HD22 LEU 28 1HD2 LEU 28 -2.564 2.342 -1.579 185 HD23 LEU 28 2HD2 LEU 28 -3.855 3.343 -0.912 186 H ILE 29 H ILE 29 -2.888 6.371 2.204 187 HA ILE 29 HA ILE 29 -0.810 7.301 0.559 188 HB ILE 29 HB ILE 29 -2.757 8.953 2.172 189 HG12 ILE 29 1HG1 ILE 29 -3.054 8.246 -0.733 190 HG13 ILE 29 2HG1 ILE 29 -3.629 7.145 0.515 191 HG21 ILE 29 1HG2 ILE 29 -2.252 10.766 0.787 192 HG22 ILE 29 2HG2 ILE 29 -0.681 10.057 1.160 193 HG23 ILE 29 3HG2 ILE 29 -1.439 9.748 -0.402 194 HD11 ILE 29 3HD1 ILE 29 -5.332 8.716 -0.451 195 HD12 ILE 29 1HD1 ILE 29 -5.198 8.715 1.307 196 HD13 ILE 29 2HD1 ILE 29 -4.473 10.020 0.367 197 H LYS 30 H LYS 30 -1.579 8.199 3.926 198 HA LYS 30 HA LYS 30 0.701 9.765 4.361 199 HB2 LYS 30 1HB LYS 30 -0.855 10.117 6.004 200 HB3 LYS 30 2HB LYS 30 -1.313 8.420 6.086 201 HG2 LYS 30 1HG LYS 30 1.399 9.177 7.024 202 HG3 LYS 30 2HG LYS 30 0.015 9.603 8.033 203 HD2 LYS 30 1HD LYS 30 -0.496 7.422 8.490 204 HD3 LYS 30 2HD LYS 30 0.156 6.835 6.958 205 HE2 LYS 30 1HE LYS 30 1.543 6.090 8.802 206 HE3 LYS 30 2HE LYS 30 2.431 7.231 7.794 207 HZ1 LYS 30 3HZ LYS 30 2.610 7.542 10.276 208 HZ2 LYS 30 1HZ LYS 30 1.004 8.073 10.246 209 HZ3 LYS 30 2HZ LYS 30 2.190 8.917 9.386 210 H HIS 31 H HIS 31 0.229 6.322 4.429 211 HA HIS 31 HA HIS 31 2.567 5.663 5.908 212 HB2 HIS 31 1HB HIS 31 1.075 3.903 5.877 213 HB3 HIS 31 2HB HIS 31 0.637 4.165 4.191 214 HD1 HIS 31 HD1 HIS 31 3.262 2.547 6.335 215 HD2 HIS 31 HD2 HIS 31 2.153 2.764 2.338 216 HE1 HIS 31 HE1 HIS 31 4.626 0.789 5.163 217 H GLN 32 H GLN 32 1.872 6.106 2.484 218 HA GLN 32 HA GLN 32 4.252 5.084 1.429 219 HB2 GLN 32 1HB GLN 32 2.261 7.111 0.474 220 HB3 GLN 32 2HB GLN 32 3.741 6.839 -0.436 221 HG2 GLN 32 1HG GLN 32 3.136 4.412 -0.519 222 HG3 GLN 32 2HG GLN 32 1.576 4.847 0.178 223 HE21 GLN 32 1HE2 GLN 32 0.851 3.817 -1.857 224 HE22 GLN 32 2HE2 GLN 32 0.708 4.814 -3.261 225 H LYS 33 H LYS 33 3.624 7.980 3.171 226 HA LYS 33 HA LYS 33 5.599 9.698 2.258 227 HB2 LYS 33 1HB LYS 33 4.674 9.307 5.111 228 HB3 LYS 33 2HB LYS 33 5.536 10.713 4.499 229 HG2 LYS 33 1HG LYS 33 2.907 9.862 3.339 230 HG3 LYS 33 2HG LYS 33 3.004 10.883 4.776 231 HD2 LYS 33 1HD LYS 33 4.263 12.549 3.546 232 HD3 LYS 33 2HD LYS 33 4.291 11.510 2.119 233 HE2 LYS 33 1HE LYS 33 2.589 13.177 1.823 234 HE3 LYS 33 2HE LYS 33 1.810 11.613 2.064 235 HZ1 LYS 33 3HZ LYS 33 2.264 13.359 4.383 236 HZ2 LYS 33 1HZ LYS 33 1.054 12.205 4.128 237 HZ3 LYS 33 2HZ LYS 33 0.977 13.699 3.340 238 H ILE 34 H ILE 34 5.951 6.687 3.789 239 HA ILE 34 HA ILE 34 8.537 7.203 4.955 240 HB ILE 34 HB ILE 34 8.560 4.955 5.647 241 HG12 ILE 34 1HG1 ILE 34 6.401 4.421 3.595 242 HG13 ILE 34 2HG1 ILE 34 8.085 3.923 3.475 243 HG21 ILE 34 1HG2 ILE 34 5.853 4.711 6.092 244 HG22 ILE 34 2HG2 ILE 34 6.996 5.590 7.105 245 HG23 ILE 34 3HG2 ILE 34 6.074 6.446 5.870 246 HD11 ILE 34 3HD1 ILE 34 7.199 1.989 4.232 247 HD12 ILE 34 1HD1 ILE 34 7.496 2.764 5.788 248 HD13 ILE 34 2HD1 ILE 34 5.880 2.793 5.082 249 H HIS 35 H HIS 35 7.275 5.716 2.021 250 HA HIS 35 HA HIS 35 9.849 4.814 1.119 251 HB2 HIS 35 1HB HIS 35 7.312 5.131 -0.493 252 HB3 HIS 35 2HB HIS 35 8.709 4.140 -0.902 253 HD1 HIS 35 HD1 HIS 35 9.195 2.386 1.368 254 HD2 HIS 35 HD2 HIS 35 5.330 3.518 0.348 255 HE1 HIS 35 HE1 HIS 35 7.693 0.640 2.379 256 H THR 36 H THR 36 8.310 7.797 1.206 257 HA THR 36 HA THR 36 10.121 8.843 -0.869 258 HB THR 36 HB THR 36 7.754 8.873 -1.642 259 HG1 THR 36 HG1 THR 36 8.458 11.561 -1.238 260 HG21 THR 36 3HG2 THR 36 7.131 11.110 0.203 261 HG22 THR 36 1HG2 THR 36 7.055 9.479 0.866 262 HG23 THR 36 2HG2 THR 36 6.061 9.912 -0.526 263 H GLY 37 H GLY 37 10.902 8.685 1.766 264 HA2 GLY 37 1HA GLY 37 10.374 11.247 3.039 265 HA3 GLY 37 2HA GLY 37 11.353 9.940 3.689 266 H GLU 38 H GLU 38 13.223 9.520 1.778 267 HA GLU 38 HA GLU 38 14.573 12.132 1.567 268 HB2 GLU 38 1HB GLU 38 15.621 10.686 3.252 269 HB3 GLU 38 2HB GLU 38 15.823 9.422 2.048 270 HG2 GLU 38 1HG GLU 38 17.229 11.052 0.741 271 HG3 GLU 38 2HG GLU 38 17.186 12.094 2.162 272 H LYS 39 H LYS 39 15.688 12.604 -0.303 273 HA LYS 39 HA LYS 39 14.773 11.348 -2.681 274 HB2 LYS 39 1HB LYS 39 16.286 12.906 -3.836 275 HB3 LYS 39 2HB LYS 39 15.306 13.726 -2.627 276 HG2 LYS 39 1HG LYS 39 17.111 14.020 -1.185 277 HG3 LYS 39 2HG LYS 39 18.076 12.783 -1.993 278 HD2 LYS 39 1HD LYS 39 19.051 14.728 -2.770 279 HD3 LYS 39 2HD LYS 39 17.890 14.370 -4.051 280 HE2 LYS 39 1HE LYS 39 17.632 16.663 -3.609 281 HE3 LYS 39 2HE LYS 39 16.276 15.882 -2.797 282 HZ1 LYS 39 3HZ LYS 39 17.933 15.888 -0.797 283 HZ2 LYS 39 1HZ LYS 39 17.021 17.265 -1.162 284 HZ3 LYS 39 2HZ LYS 39 18.640 17.173 -1.640 285 HA PRO 40 HA PRO 40 17.747 8.141 -3.175 286 HB2 PRO 40 1HB PRO 40 17.612 7.836 -5.869 287 HB3 PRO 40 2HB PRO 40 16.338 7.285 -4.775 288 HG2 PRO 40 1HG PRO 40 16.474 9.783 -6.419 289 HG3 PRO 40 2HG PRO 40 15.104 8.687 -6.161 290 HD2 PRO 40 1HD PRO 40 15.363 11.033 -4.833 291 HD3 PRO 40 2HD PRO 40 14.593 9.606 -4.110 292 H SER 41 H SER 41 19.894 8.273 -3.127 293 HA SER 41 HA SER 41 21.472 9.299 -5.220 294 HB2 SER 41 1HB SER 41 22.162 11.382 -4.511 295 HB3 SER 41 2HB SER 41 20.496 11.400 -3.933 296 HG SER 41 HG SER 41 21.172 11.207 -1.912 297 H GLY 42 H GLY 42 23.535 8.565 -5.057 298 HA2 GLY 42 1HA GLY 42 24.196 7.124 -2.574 299 HA3 GLY 42 2HA GLY 42 24.832 6.741 -4.167 300 HA PRO 43 HA PRO 43 28.458 9.031 -3.270 301 HB2 PRO 43 1HB PRO 43 29.146 9.919 -5.742 302 HB3 PRO 43 2HB PRO 43 29.310 8.230 -5.248 303 HG2 PRO 43 1HG PRO 43 27.148 9.530 -6.858 304 HG3 PRO 43 2HG PRO 43 27.956 7.974 -7.121 305 HD2 PRO 43 1HD PRO 43 25.508 8.169 -5.981 306 HD3 PRO 43 2HD PRO 43 26.665 6.894 -5.547 307 H SER 44 H SER 44 25.608 10.495 -4.023 308 HA SER 44 HA SER 44 25.911 13.011 -4.870 309 HB2 SER 44 1HB SER 44 23.994 13.579 -3.711 310 HB3 SER 44 2HB SER 44 23.902 11.820 -3.629 311 HG SER 44 HG SER 44 23.583 12.925 -1.591 312 H SER 45 H SER 45 26.402 15.066 -3.949 313 HA SER 45 HA SER 45 28.242 14.948 -1.651 314 HB2 SER 45 1HB SER 45 29.408 15.234 -3.869 315 HB3 SER 45 2HB SER 45 28.570 16.776 -4.038 316 HG SER 45 HG SER 45 29.620 17.507 -2.189 317 H GLY 46 H GLY 46 27.034 15.819 -0.061 318 HA2 GLY 46 1HA GLY 46 25.460 18.228 -0.625 319 HA3 GLY 46 2HA GLY 46 25.334 17.225 0.813 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.074 -20.539 1.442 2 HA2 GLY 1 1HA GLY 1 2.704 -22.431 2.950 3 HA3 GLY 1 2HA GLY 1 3.112 -20.761 2.590 4 H SER 2 H SER 2 3.701 -20.348 4.736 5 HA SER 2 HA SER 2 2.518 -20.900 7.077 6 HB2 SER 2 1HB SER 2 3.314 -18.758 7.948 7 HB3 SER 2 2HB SER 2 4.503 -19.442 6.840 8 HG SER 2 HG SER 2 4.267 -17.318 6.284 9 H SER 3 H SER 3 1.461 -18.291 4.906 10 HA SER 3 HA SER 3 -1.265 -18.600 5.793 11 HB2 SER 3 1HB SER 3 0.396 -16.240 6.601 12 HB3 SER 3 2HB SER 3 -1.318 -16.011 6.257 13 HG SER 3 HG SER 3 -1.384 -18.031 7.769 14 H GLY 4 H GLY 4 -2.688 -18.006 4.240 15 HA2 GLY 4 1HA GLY 4 -2.900 -16.096 2.463 16 HA3 GLY 4 2HA GLY 4 -1.537 -16.952 1.758 17 H SER 5 H SER 5 -4.456 -18.212 3.339 18 HA SER 5 HA SER 5 -5.019 -19.709 0.866 19 HB2 SER 5 1HB SER 5 -4.491 -21.047 2.928 20 HB3 SER 5 2HB SER 5 -5.951 -20.386 3.664 21 HG SER 5 HG SER 5 -7.000 -21.256 1.656 22 H SER 6 H SER 6 -6.580 -18.012 3.568 23 HA SER 6 HA SER 6 -8.632 -17.034 1.764 24 HB2 SER 6 1HB SER 6 -9.306 -19.326 2.872 25 HB3 SER 6 2HB SER 6 -9.625 -18.316 4.282 26 HG SER 6 HG SER 6 -11.254 -17.371 3.263 27 H GLY 7 H GLY 7 -10.042 -15.410 2.824 28 HA2 GLY 7 1HA GLY 7 -9.829 -14.336 5.314 29 HA3 GLY 7 2HA GLY 7 -8.434 -13.677 4.472 30 H THR 8 H THR 8 -11.681 -13.249 5.168 31 HA THR 8 HA THR 8 -12.290 -11.677 2.801 32 HB THR 8 HB THR 8 -14.032 -13.103 3.879 33 HG1 THR 8 HG1 THR 8 -14.299 -10.364 3.386 34 HG21 THR 8 3HG2 THR 8 -13.132 -11.955 6.228 35 HG22 THR 8 1HG2 THR 8 -14.592 -12.925 6.039 36 HG23 THR 8 2HG2 THR 8 -14.684 -11.166 5.949 37 H GLY 9 H GLY 9 -10.145 -10.538 3.930 38 HA2 GLY 9 1HA GLY 9 -10.711 -8.595 5.922 39 HA3 GLY 9 2HA GLY 9 -9.313 -8.606 4.858 40 H GLU 10 H GLU 10 -10.999 -6.368 5.755 41 HA GLU 10 HA GLU 10 -12.233 -5.519 3.235 42 HB2 GLU 10 1HB GLU 10 -13.453 -5.356 5.471 43 HB3 GLU 10 2HB GLU 10 -12.339 -4.055 5.867 44 HG2 GLU 10 1HG GLU 10 -13.145 -3.066 3.590 45 HG3 GLU 10 2HG GLU 10 -14.527 -4.128 3.850 46 H ARG 11 H ARG 11 -9.492 -5.636 3.137 47 HA ARG 11 HA ARG 11 -8.628 -2.836 3.400 48 HB2 ARG 11 1HB ARG 11 -7.070 -5.416 3.269 49 HB3 ARG 11 2HB ARG 11 -6.310 -3.841 3.086 50 HG2 ARG 11 1HG ARG 11 -7.589 -3.381 5.364 51 HG3 ARG 11 2HG ARG 11 -7.446 -5.135 5.495 52 HD2 ARG 11 1HD ARG 11 -4.982 -4.819 4.958 53 HD3 ARG 11 2HD ARG 11 -5.250 -3.098 5.234 54 HE ARG 11 HE ARG 11 -5.421 -3.506 7.495 55 HH11 ARG 11 1HH1 ARG 11 -5.407 -6.512 5.739 56 HH12 ARG 11 2HH1 ARG 11 -5.204 -7.489 7.155 57 HH21 ARG 11 1HH2 ARG 11 -5.153 -4.782 9.367 58 HH22 ARG 11 2HH2 ARG 11 -5.061 -6.504 9.218 59 HA PRO 12 HA PRO 12 -9.278 -3.370 -1.129 60 HB2 PRO 12 1HB PRO 12 -10.130 -0.822 -1.520 61 HB3 PRO 12 2HB PRO 12 -11.207 -2.127 -1.011 62 HG2 PRO 12 1HG PRO 12 -9.894 -0.003 0.639 63 HG3 PRO 12 2HG PRO 12 -11.556 -0.615 0.721 64 HD2 PRO 12 1HD PRO 12 -9.626 -1.402 2.450 65 HD3 PRO 12 2HD PRO 12 -10.944 -2.475 1.936 66 H TYR 13 H TYR 13 -7.534 -1.065 0.821 67 HA TYR 13 HA TYR 13 -5.896 -0.278 -1.484 68 HB2 TYR 13 1HB TYR 13 -5.647 0.931 1.252 69 HB3 TYR 13 2HB TYR 13 -5.278 1.647 -0.312 70 HD1 TYR 13 HD1 TYR 13 -7.119 2.438 -1.775 71 HD2 TYR 13 HD2 TYR 13 -7.840 1.060 2.186 72 HE1 TYR 13 HE1 TYR 13 -9.329 3.517 -1.808 73 HE2 TYR 13 HE2 TYR 13 -10.052 2.135 2.163 74 HH TYR 13 HH TYR 13 -11.157 4.047 0.941 75 H ILE 14 H ILE 14 -3.896 -1.031 -1.734 76 HA ILE 14 HA ILE 14 -2.418 -2.035 0.578 77 HB ILE 14 HB ILE 14 -2.989 -3.666 -1.894 78 HG12 ILE 14 1HG1 ILE 14 -3.484 -5.321 0.132 79 HG13 ILE 14 2HG1 ILE 14 -3.756 -3.805 0.984 80 HG21 ILE 14 1HG2 ILE 14 -1.071 -4.336 0.331 81 HG22 ILE 14 2HG2 ILE 14 -1.407 -5.293 -1.110 82 HG23 ILE 14 3HG2 ILE 14 -0.590 -3.738 -1.256 83 HD11 ILE 14 3HD1 ILE 14 -5.644 -3.337 -0.174 84 HD12 ILE 14 1HD1 ILE 14 -5.084 -4.147 -1.637 85 HD13 ILE 14 2HD1 ILE 14 -5.689 -5.097 -0.280 86 H CYS 15 H CYS 15 -0.529 -1.029 0.557 87 HA CYS 15 HA CYS 15 0.516 0.480 -1.511 88 HB2 CYS 15 1HB CYS 15 1.254 0.650 0.837 89 HB3 CYS 15 2HB CYS 15 2.059 -0.909 0.691 90 H THR 16 H THR 16 1.507 0.024 -3.361 91 HA THR 16 HA THR 16 2.178 -2.750 -3.954 92 HB THR 16 HB THR 16 0.838 -1.518 -5.599 93 HG1 THR 16 HG1 THR 16 2.423 -3.146 -6.257 94 HG21 THR 16 3HG2 THR 16 3.032 0.121 -6.611 95 HG22 THR 16 1HG2 THR 16 2.471 0.617 -5.014 96 HG23 THR 16 2HG2 THR 16 1.335 0.532 -6.361 97 H VAL 17 H VAL 17 3.740 -0.000 -2.846 98 HA VAL 17 HA VAL 17 6.240 -0.288 -4.200 99 HB VAL 17 HB VAL 17 5.626 1.118 -1.597 100 HG11 VAL 17 1HG1 VAL 17 8.059 0.973 -3.324 101 HG12 VAL 17 2HG1 VAL 17 7.718 2.443 -2.409 102 HG13 VAL 17 3HG1 VAL 17 7.924 0.906 -1.567 103 HG21 VAL 17 3HG2 VAL 17 4.344 1.927 -3.576 104 HG22 VAL 17 1HG2 VAL 17 5.428 3.132 -2.882 105 HG23 VAL 17 2HG2 VAL 17 5.880 2.289 -4.364 106 H CYS 18 H CYS 18 5.215 -1.003 -0.858 107 HA CYS 18 HA CYS 18 7.527 -2.796 -0.603 108 HB2 CYS 18 1HB CYS 18 7.093 -2.671 1.837 109 HB3 CYS 18 2HB CYS 18 7.408 -1.094 1.122 110 H GLY 19 H GLY 19 4.029 -2.639 -0.010 111 HA2 GLY 19 1HA GLY 19 2.775 -4.627 -0.821 112 HA3 GLY 19 2HA GLY 19 4.006 -5.595 -0.024 113 H LYS 20 H LYS 20 2.518 -2.671 1.262 114 HA LYS 20 HA LYS 20 1.553 -4.253 3.535 115 HB2 LYS 20 1HB LYS 20 3.079 -2.174 3.763 116 HB3 LYS 20 2HB LYS 20 1.621 -1.250 3.425 117 HG2 LYS 20 1HG LYS 20 0.590 -1.917 5.398 118 HG3 LYS 20 2HG LYS 20 1.670 -3.297 5.608 119 HD2 LYS 20 1HD LYS 20 3.538 -1.727 6.005 120 HD3 LYS 20 2HD LYS 20 2.401 -0.381 5.884 121 HE2 LYS 20 1HE LYS 20 1.122 -1.385 7.772 122 HE3 LYS 20 2HE LYS 20 2.398 -2.590 7.937 123 HZ1 LYS 20 3HZ LYS 20 2.710 0.346 8.251 124 HZ2 LYS 20 1HZ LYS 20 3.973 -0.776 8.335 125 HZ3 LYS 20 2HZ LYS 20 2.739 -0.802 9.492 126 H ALA 21 H ALA 21 -0.548 -3.749 4.456 127 HA ALA 21 HA ALA 21 -2.467 -2.784 2.435 128 HB1 ALA 21 3HB ALA 21 -2.506 -5.262 2.830 129 HB2 ALA 21 1HB ALA 21 -3.038 -4.922 4.477 130 HB3 ALA 21 2HB ALA 21 -4.039 -4.437 3.108 131 H PHE 22 H PHE 22 -4.106 -1.453 3.107 132 HA PHE 22 HA PHE 22 -4.239 -0.785 5.963 133 HB2 PHE 22 1HB PHE 22 -4.018 1.197 3.690 134 HB3 PHE 22 2HB PHE 22 -4.420 1.628 5.349 135 HD1 PHE 22 HD2 PHE 22 -1.777 0.284 3.161 136 HD2 PHE 22 HD1 PHE 22 -2.748 1.816 7.012 137 HE1 PHE 22 HE2 PHE 22 0.619 0.466 3.689 138 HE2 PHE 22 HE1 PHE 22 -0.353 2.000 7.546 139 HZ PHE 22 HZ PHE 22 1.334 1.324 5.884 140 H THR 23 H THR 23 -6.248 -0.244 6.727 141 HA THR 23 HA THR 23 -8.488 -1.121 5.202 142 HB THR 23 HB THR 23 -9.835 -0.303 7.152 143 HG1 THR 23 HG1 THR 23 -8.907 0.892 8.648 144 HG21 THR 23 3HG2 THR 23 -8.851 -1.918 8.782 145 HG22 THR 23 1HG2 THR 23 -7.459 -2.080 7.712 146 HG23 THR 23 2HG2 THR 23 -9.058 -2.579 7.160 147 H ASP 24 H ASP 24 -7.605 2.072 6.527 148 HA ASP 24 HA ASP 24 -9.557 3.321 4.740 149 HB2 ASP 24 1HB ASP 24 -8.153 4.152 7.237 150 HB3 ASP 24 2HB ASP 24 -8.651 5.411 6.110 151 H ARG 25 H ARG 25 -8.972 4.265 2.904 152 HA ARG 25 HA ARG 25 -6.565 4.113 1.679 153 HB2 ARG 25 1HB ARG 25 -8.492 4.873 0.467 154 HB3 ARG 25 2HB ARG 25 -8.616 6.317 1.462 155 HG2 ARG 25 1HG ARG 25 -6.429 7.063 0.550 156 HG3 ARG 25 2HG ARG 25 -6.462 5.674 -0.537 157 HD2 ARG 25 1HD ARG 25 -7.303 7.933 -1.425 158 HD3 ARG 25 2HD ARG 25 -8.281 6.499 -1.734 159 HE ARG 25 HE ARG 25 -8.953 8.738 -0.027 160 HH11 ARG 25 1HH1 ARG 25 -9.642 5.447 -0.931 161 HH12 ARG 25 2HH1 ARG 25 -11.261 5.479 -0.313 162 HH21 ARG 25 1HH2 ARG 25 -11.082 8.792 0.790 163 HH22 ARG 25 2HH2 ARG 25 -12.079 7.382 0.666 164 H SER 26 H SER 26 -7.666 6.980 3.496 165 HA SER 26 HA SER 26 -5.589 8.664 3.321 166 HB2 SER 26 1HB SER 26 -7.527 9.117 4.743 167 HB3 SER 26 2HB SER 26 -6.977 7.911 5.906 168 HG SER 26 HG SER 26 -6.297 10.481 5.739 169 H ASN 27 H ASN 27 -5.688 6.139 5.844 170 HA ASN 27 HA ASN 27 -3.236 6.392 6.954 171 HB2 ASN 27 1HB ASN 27 -4.749 3.879 6.251 172 HB3 ASN 27 2HB ASN 27 -3.253 3.843 7.179 173 HD21 ASN 27 1HD2 ASN 27 -4.642 2.856 8.802 174 HD22 ASN 27 2HD2 ASN 27 -5.543 3.880 9.864 175 H LEU 28 H LEU 28 -3.885 4.365 4.090 176 HA LEU 28 HA LEU 28 -1.329 3.540 3.525 177 HB2 LEU 28 1HB LEU 28 -3.163 2.677 2.280 178 HB3 LEU 28 2HB LEU 28 -3.580 4.276 1.669 179 HG LEU 28 HG LEU 28 -1.406 4.251 0.407 180 HD11 LEU 28 1HD1 LEU 28 -0.448 1.978 0.001 181 HD12 LEU 28 2HD1 LEU 28 -1.411 1.394 1.358 182 HD13 LEU 28 3HD1 LEU 28 -0.168 2.617 1.622 183 HD21 LEU 28 3HD2 LEU 28 -2.299 3.045 -1.409 184 HD22 LEU 28 1HD2 LEU 28 -3.693 3.649 -0.512 185 HD23 LEU 28 2HD2 LEU 28 -3.204 1.963 -0.349 186 H ILE 29 H ILE 29 -2.905 6.497 2.314 187 HA ILE 29 HA ILE 29 -0.830 7.524 0.813 188 HB ILE 29 HB ILE 29 -2.752 9.114 2.517 189 HG12 ILE 29 1HG1 ILE 29 -3.021 8.411 -0.405 190 HG13 ILE 29 2HG1 ILE 29 -3.738 7.436 0.873 191 HG21 ILE 29 1HG2 ILE 29 -1.387 9.998 -0.010 192 HG22 ILE 29 2HG2 ILE 29 -2.276 10.978 1.154 193 HG23 ILE 29 3HG2 ILE 29 -0.709 10.296 1.590 194 HD11 ILE 29 3HD1 ILE 29 -4.444 10.175 1.259 195 HD12 ILE 29 1HD1 ILE 29 -4.816 9.691 -0.395 196 HD13 ILE 29 2HD1 ILE 29 -5.485 8.782 0.961 197 H LYS 30 H LYS 30 -1.430 7.929 4.287 198 HA LYS 30 HA LYS 30 0.773 9.632 4.775 199 HB2 LYS 30 1HB LYS 30 -0.848 9.667 6.450 200 HB3 LYS 30 2HB LYS 30 -0.979 7.913 6.498 201 HG2 LYS 30 1HG LYS 30 1.308 7.843 7.487 202 HG3 LYS 30 2HG LYS 30 1.259 9.604 7.585 203 HD2 LYS 30 1HD LYS 30 -0.732 7.743 8.880 204 HD3 LYS 30 2HD LYS 30 0.631 8.500 9.708 205 HE2 LYS 30 1HE LYS 30 -1.561 10.017 8.300 206 HE3 LYS 30 2HE LYS 30 -1.544 9.675 10.030 207 HZ1 LYS 30 3HZ LYS 30 0.895 10.773 9.581 208 HZ2 LYS 30 1HZ LYS 30 -0.449 11.591 10.203 209 HZ3 LYS 30 2HZ LYS 30 -0.104 11.666 8.549 210 H HIS 31 H HIS 31 0.413 6.148 4.668 211 HA HIS 31 HA HIS 31 2.909 5.516 5.868 212 HB2 HIS 31 1HB HIS 31 1.461 3.712 5.894 213 HB3 HIS 31 2HB HIS 31 0.883 4.018 4.259 214 HD1 HIS 31 HD1 HIS 31 3.748 2.448 6.120 215 HD2 HIS 31 HD2 HIS 31 2.269 2.717 2.247 216 HE1 HIS 31 HE1 HIS 31 5.068 0.780 4.778 217 H GLN 32 H GLN 32 1.855 6.001 2.533 218 HA GLN 32 HA GLN 32 4.138 5.141 1.201 219 HB2 GLN 32 1HB GLN 32 2.016 7.159 0.571 220 HB3 GLN 32 2HB GLN 32 3.410 7.005 -0.490 221 HG2 GLN 32 1HG GLN 32 2.893 4.620 -0.787 222 HG3 GLN 32 2HG GLN 32 1.463 4.824 0.224 223 HE21 GLN 32 1HE2 GLN 32 -0.332 5.826 -0.600 224 HE22 GLN 32 2HE2 GLN 32 -0.508 6.224 -2.272 225 H LYS 33 H LYS 33 3.707 7.841 3.242 226 HA LYS 33 HA LYS 33 5.572 9.651 2.194 227 HB2 LYS 33 1HB LYS 33 4.681 9.145 5.034 228 HB3 LYS 33 2HB LYS 33 5.725 10.482 4.573 229 HG2 LYS 33 1HG LYS 33 2.994 10.036 3.398 230 HG3 LYS 33 2HG LYS 33 3.297 11.043 4.816 231 HD2 LYS 33 1HD LYS 33 4.894 12.376 3.432 232 HD3 LYS 33 2HD LYS 33 4.377 11.441 2.027 233 HE2 LYS 33 1HE LYS 33 2.145 12.266 2.210 234 HE3 LYS 33 2HE LYS 33 2.485 13.005 3.774 235 HZ1 LYS 33 3HZ LYS 33 2.450 14.576 1.864 236 HZ2 LYS 33 1HZ LYS 33 3.831 13.811 1.257 237 HZ3 LYS 33 2HZ LYS 33 3.890 14.601 2.750 238 H ILE 34 H ILE 34 6.004 6.632 3.764 239 HA ILE 34 HA ILE 34 8.666 7.111 4.717 240 HB ILE 34 HB ILE 34 8.731 4.853 5.358 241 HG12 ILE 34 1HG1 ILE 34 6.437 4.314 3.460 242 HG13 ILE 34 2HG1 ILE 34 8.123 3.919 3.143 243 HG21 ILE 34 1HG2 ILE 34 6.363 6.385 5.838 244 HG22 ILE 34 2HG2 ILE 34 5.964 4.668 5.823 245 HG23 ILE 34 3HG2 ILE 34 7.208 5.274 6.916 246 HD11 ILE 34 3HD1 ILE 34 6.265 2.707 5.154 247 HD12 ILE 34 1HD1 ILE 34 7.147 1.920 3.846 248 HD13 ILE 34 2HD1 ILE 34 8.014 2.515 5.262 249 H HIS 35 H HIS 35 7.232 6.013 1.745 250 HA HIS 35 HA HIS 35 9.793 5.110 0.687 251 HB2 HIS 35 1HB HIS 35 7.126 5.237 -0.730 252 HB3 HIS 35 2HB HIS 35 8.554 4.334 -1.229 253 HD1 HIS 35 HD1 HIS 35 9.311 2.539 0.850 254 HD2 HIS 35 HD2 HIS 35 5.319 3.609 0.421 255 HE1 HIS 35 HE1 HIS 35 8.002 0.735 2.016 256 H THR 36 H THR 36 7.982 7.953 0.866 257 HA THR 36 HA THR 36 8.966 9.082 -1.622 258 HB THR 36 HB THR 36 7.638 10.979 -1.178 259 HG1 THR 36 HG1 THR 36 7.963 10.189 1.485 260 HG21 THR 36 3HG2 THR 36 6.530 8.420 -1.072 261 HG22 THR 36 1HG2 THR 36 5.690 9.923 -1.452 262 HG23 THR 36 2HG2 THR 36 5.715 9.321 0.206 263 H GLY 37 H GLY 37 10.683 10.400 -1.840 264 HA2 GLY 37 1HA GLY 37 12.463 11.755 -1.282 265 HA3 GLY 37 2HA GLY 37 11.768 11.923 0.324 266 H GLU 38 H GLU 38 12.629 8.880 -1.227 267 HA GLU 38 HA GLU 38 13.874 7.734 0.926 268 HB2 GLU 38 1HB GLU 38 13.274 6.677 -1.317 269 HB3 GLU 38 2HB GLU 38 14.818 7.283 -1.900 270 HG2 GLU 38 1HG GLU 38 16.039 5.860 -0.549 271 HG3 GLU 38 2HG GLU 38 14.700 5.609 0.569 272 H LYS 39 H LYS 39 15.490 9.480 -1.726 273 HA LYS 39 HA LYS 39 17.502 10.455 0.111 274 HB2 LYS 39 1HB LYS 39 19.399 9.584 -1.173 275 HB3 LYS 39 2HB LYS 39 18.426 8.278 -0.509 276 HG2 LYS 39 1HG LYS 39 17.273 8.227 -2.793 277 HG3 LYS 39 2HG LYS 39 18.634 9.203 -3.351 278 HD2 LYS 39 1HD LYS 39 20.187 7.498 -2.859 279 HD3 LYS 39 2HD LYS 39 19.018 6.606 -1.884 280 HE2 LYS 39 1HE LYS 39 18.623 7.092 -4.824 281 HE3 LYS 39 2HE LYS 39 19.524 5.704 -4.213 282 HZ1 LYS 39 3HZ LYS 39 17.420 4.852 -4.399 283 HZ2 LYS 39 1HZ LYS 39 16.657 6.303 -3.983 284 HZ3 LYS 39 2HZ LYS 39 17.397 5.365 -2.787 285 HA PRO 40 HA PRO 40 17.252 13.910 -2.604 286 HB2 PRO 40 1HB PRO 40 19.569 15.156 -1.936 287 HB3 PRO 40 2HB PRO 40 18.150 15.139 -0.882 288 HG2 PRO 40 1HG PRO 40 20.609 13.435 -0.776 289 HG3 PRO 40 2HG PRO 40 19.731 14.216 0.552 290 HD2 PRO 40 1HD PRO 40 19.446 11.588 -0.037 291 HD3 PRO 40 2HD PRO 40 18.121 12.568 0.623 292 H SER 41 H SER 41 19.386 11.390 -2.995 293 HA SER 41 HA SER 41 20.724 12.623 -5.302 294 HB2 SER 41 1HB SER 41 22.273 10.701 -5.195 295 HB3 SER 41 2HB SER 41 22.229 11.589 -3.672 296 HG SER 41 HG SER 41 21.098 9.082 -4.297 297 H GLY 42 H GLY 42 20.469 11.843 -7.347 298 HA2 GLY 42 1HA GLY 42 19.327 10.860 -9.086 299 HA3 GLY 42 2HA GLY 42 19.578 9.378 -8.175 300 HA PRO 43 HA PRO 43 15.191 11.184 -7.082 301 HB2 PRO 43 1HB PRO 43 14.159 12.828 -8.980 302 HB3 PRO 43 2HB PRO 43 15.088 13.421 -7.598 303 HG2 PRO 43 1HG PRO 43 15.980 12.947 -10.415 304 HG3 PRO 43 2HG PRO 43 16.344 14.309 -9.341 305 HD2 PRO 43 1HD PRO 43 18.089 12.282 -9.765 306 HD3 PRO 43 2HD PRO 43 17.988 13.148 -8.218 307 H SER 44 H SER 44 13.615 9.762 -7.494 308 HA SER 44 HA SER 44 13.594 8.430 -10.104 309 HB2 SER 44 1HB SER 44 13.775 7.133 -7.905 310 HB3 SER 44 2HB SER 44 12.083 7.554 -7.643 311 HG SER 44 HG SER 44 12.061 5.616 -8.674 312 H SER 45 H SER 45 11.308 9.767 -7.723 313 HA SER 45 HA SER 45 8.943 9.518 -9.050 314 HB2 SER 45 1HB SER 45 8.107 11.338 -7.761 315 HB3 SER 45 2HB SER 45 9.357 10.582 -6.774 316 HG SER 45 HG SER 45 10.224 12.486 -6.718 317 H GLY 46 H GLY 46 8.360 10.000 -11.054 318 HA2 GLY 46 1HA GLY 46 9.838 11.820 -12.687 319 HA3 GLY 46 2HA GLY 46 8.357 10.988 -13.136 Start of MODEL 9 1 H1 GLY 1 H GLY 1 8.700 -15.834 -4.363 2 HA2 GLY 1 1HA GLY 1 11.053 -15.013 -2.958 3 HA3 GLY 1 2HA GLY 1 9.716 -13.905 -2.686 4 H SER 2 H SER 2 10.429 -14.874 -0.451 5 HA SER 2 HA SER 2 8.796 -17.270 0.072 6 HB2 SER 2 1HB SER 2 11.277 -16.204 1.408 7 HB3 SER 2 2HB SER 2 10.214 -17.348 2.228 8 HG SER 2 HG SER 2 10.524 -18.488 0.002 9 H SER 3 H SER 3 6.838 -16.208 0.367 10 HA SER 3 HA SER 3 6.539 -14.934 2.959 11 HB2 SER 3 1HB SER 3 5.200 -13.051 1.955 12 HB3 SER 3 2HB SER 3 6.928 -12.983 1.609 13 HG SER 3 HG SER 3 6.111 -12.724 -0.351 14 H GLY 4 H GLY 4 5.013 -16.143 3.866 15 HA2 GLY 4 1HA GLY 4 2.949 -17.380 2.226 16 HA3 GLY 4 2HA GLY 4 3.252 -17.688 3.929 17 H SER 5 H SER 5 2.819 -15.677 5.355 18 HA SER 5 HA SER 5 0.348 -14.371 4.421 19 HB2 SER 5 1HB SER 5 0.152 -16.275 6.197 20 HB3 SER 5 2HB SER 5 0.771 -15.059 7.314 21 HG SER 5 HG SER 5 -1.407 -14.840 7.374 22 H SER 6 H SER 6 1.270 -12.418 3.920 23 HA SER 6 HA SER 6 3.011 -11.080 5.806 24 HB2 SER 6 1HB SER 6 3.218 -9.356 4.131 25 HB3 SER 6 2HB SER 6 3.323 -10.920 3.322 26 HG SER 6 HG SER 6 1.014 -10.644 2.899 27 H GLY 7 H GLY 7 -0.302 -11.404 5.400 28 HA2 GLY 7 1HA GLY 7 -1.891 -10.494 6.888 29 HA3 GLY 7 2HA GLY 7 -0.773 -9.186 7.245 30 H THR 8 H THR 8 -2.228 -10.442 4.243 31 HA THR 8 HA THR 8 -3.819 -8.098 3.854 32 HB THR 8 HB THR 8 -1.577 -7.222 3.232 33 HG1 THR 8 HG1 THR 8 -3.080 -7.433 0.853 34 HG21 THR 8 3HG2 THR 8 -1.588 -9.660 1.587 35 HG22 THR 8 1HG2 THR 8 -0.233 -8.738 2.238 36 HG23 THR 8 2HG2 THR 8 -1.032 -8.207 0.758 37 H GLY 9 H GLY 9 -5.262 -8.288 2.107 38 HA2 GLY 9 1HA GLY 9 -5.293 -9.933 -0.034 39 HA3 GLY 9 2HA GLY 9 -5.719 -11.022 1.278 40 H GLU 10 H GLU 10 -7.211 -9.123 2.814 41 HA GLU 10 HA GLU 10 -9.635 -9.060 1.172 42 HB2 GLU 10 1HB GLU 10 -9.141 -9.052 4.137 43 HB3 GLU 10 2HB GLU 10 -10.700 -8.577 3.478 44 HG2 GLU 10 1HG GLU 10 -10.908 -10.755 2.395 45 HG3 GLU 10 2HG GLU 10 -9.346 -11.232 3.057 46 H ARG 11 H ARG 11 -7.415 -6.998 2.889 47 HA ARG 11 HA ARG 11 -8.886 -4.673 3.169 48 HB2 ARG 11 1HB ARG 11 -5.963 -4.959 2.449 49 HB3 ARG 11 2HB ARG 11 -6.717 -3.479 3.027 50 HG2 ARG 11 1HG ARG 11 -6.708 -6.041 4.599 51 HG3 ARG 11 2HG ARG 11 -5.456 -4.805 4.743 52 HD2 ARG 11 1HD ARG 11 -6.931 -3.243 5.645 53 HD3 ARG 11 2HD ARG 11 -8.351 -4.103 5.050 54 HE ARG 11 HE ARG 11 -8.351 -5.318 6.978 55 HH11 ARG 11 1HH1 ARG 11 -5.179 -3.958 6.523 56 HH12 ARG 11 2HH1 ARG 11 -4.580 -4.511 8.052 57 HH21 ARG 11 1HH2 ARG 11 -7.574 -6.051 8.993 58 HH22 ARG 11 2HH2 ARG 11 -5.943 -5.702 9.456 59 HA PRO 12 HA PRO 12 -9.783 -3.318 -0.922 60 HB2 PRO 12 1HB PRO 12 -10.123 -0.669 -0.433 61 HB3 PRO 12 2HB PRO 12 -11.305 -1.894 0.045 62 HG2 PRO 12 1HG PRO 12 -9.197 -0.550 1.692 63 HG3 PRO 12 2HG PRO 12 -10.883 -0.910 2.109 64 HD2 PRO 12 1HD PRO 12 -8.813 -2.435 2.961 65 HD3 PRO 12 2HD PRO 12 -10.419 -3.110 2.617 66 H TYR 13 H TYR 13 -7.593 -1.123 0.851 67 HA TYR 13 HA TYR 13 -6.168 -0.577 -1.645 68 HB2 TYR 13 1HB TYR 13 -5.554 0.738 0.984 69 HB3 TYR 13 2HB TYR 13 -5.335 1.366 -0.646 70 HD1 TYR 13 HD1 TYR 13 -7.347 2.087 -1.958 71 HD2 TYR 13 HD2 TYR 13 -7.568 1.102 2.175 72 HE1 TYR 13 HE1 TYR 13 -9.499 3.267 -1.798 73 HE2 TYR 13 HE2 TYR 13 -9.721 2.278 2.346 74 HH TYR 13 HH TYR 13 -11.211 3.552 1.298 75 H ILE 14 H ILE 14 -3.840 -0.642 -1.704 76 HA ILE 14 HA ILE 14 -2.427 -2.067 0.372 77 HB ILE 14 HB ILE 14 -2.910 -3.336 -2.319 78 HG12 ILE 14 1HG1 ILE 14 -3.270 -5.311 -0.585 79 HG13 ILE 14 2HG1 ILE 14 -3.581 -3.976 0.519 80 HG21 ILE 14 1HG2 ILE 14 -1.250 -5.007 -0.820 81 HG22 ILE 14 2HG2 ILE 14 -0.830 -4.114 -2.281 82 HG23 ILE 14 3HG2 ILE 14 -0.534 -3.400 -0.696 83 HD11 ILE 14 3HD1 ILE 14 -5.238 -5.080 -1.591 84 HD12 ILE 14 1HD1 ILE 14 -5.679 -4.090 -0.199 85 HD13 ILE 14 2HD1 ILE 14 -5.092 -3.325 -1.676 86 H CYS 15 H CYS 15 -0.472 -1.202 0.515 87 HA CYS 15 HA CYS 15 0.510 0.737 -1.238 88 HB2 CYS 15 1HB CYS 15 1.180 0.335 1.182 89 HB3 CYS 15 2HB CYS 15 2.229 -0.947 0.585 90 H THR 16 H THR 16 0.972 0.370 -3.309 91 HA THR 16 HA THR 16 2.044 -2.166 -4.193 92 HB THR 16 HB THR 16 1.793 -1.361 -6.422 93 HG1 THR 16 HG1 THR 16 1.923 1.137 -5.176 94 HG21 THR 16 3HG2 THR 16 -0.577 -0.020 -5.934 95 HG22 THR 16 1HG2 THR 16 -0.357 -1.012 -4.493 96 HG23 THR 16 2HG2 THR 16 -0.383 -1.766 -6.087 97 H VAL 17 H VAL 17 3.738 -0.727 -2.406 98 HA VAL 17 HA VAL 17 6.034 -0.244 -4.186 99 HB VAL 17 HB VAL 17 5.388 1.265 -1.649 100 HG11 VAL 17 1HG1 VAL 17 7.430 2.390 -1.843 101 HG12 VAL 17 2HG1 VAL 17 7.839 0.698 -2.134 102 HG13 VAL 17 3HG1 VAL 17 7.692 1.817 -3.490 103 HG21 VAL 17 3HG2 VAL 17 5.297 1.989 -4.559 104 HG22 VAL 17 1HG2 VAL 17 4.049 2.185 -3.328 105 HG23 VAL 17 2HG2 VAL 17 5.477 3.219 -3.309 106 H CYS 18 H CYS 18 5.005 -1.104 -0.898 107 HA CYS 18 HA CYS 18 7.489 -2.661 -0.609 108 HB2 CYS 18 1HB CYS 18 7.232 -2.428 1.805 109 HB3 CYS 18 2HB CYS 18 7.243 -0.842 1.040 110 H GLY 19 H GLY 19 3.993 -2.674 -0.113 111 HA2 GLY 19 1HA GLY 19 2.838 -4.751 -0.750 112 HA3 GLY 19 2HA GLY 19 4.131 -5.621 0.062 113 H LYS 20 H LYS 20 2.432 -2.745 1.213 114 HA LYS 20 HA LYS 20 1.536 -4.318 3.534 115 HB2 LYS 20 1HB LYS 20 3.098 -2.399 3.949 116 HB3 LYS 20 2HB LYS 20 1.849 -1.318 3.343 117 HG2 LYS 20 1HG LYS 20 0.542 -1.559 5.196 118 HG3 LYS 20 2HG LYS 20 1.142 -3.182 5.545 119 HD2 LYS 20 1HD LYS 20 3.383 -1.998 6.042 120 HD3 LYS 20 2HD LYS 20 2.408 -0.529 6.140 121 HE2 LYS 20 1HE LYS 20 2.478 -1.269 8.342 122 HE3 LYS 20 2HE LYS 20 0.931 -1.884 7.761 123 HZ1 LYS 20 3HZ LYS 20 1.758 -3.753 8.717 124 HZ2 LYS 20 1HZ LYS 20 3.374 -3.339 8.437 125 HZ3 LYS 20 2HZ LYS 20 2.428 -3.950 7.176 126 H ALA 21 H ALA 21 -0.537 -3.658 4.509 127 HA ALA 21 HA ALA 21 -2.451 -2.735 2.464 128 HB1 ALA 21 3HB ALA 21 -3.049 -4.736 4.634 129 HB2 ALA 21 1HB ALA 21 -4.078 -4.277 3.278 130 HB3 ALA 21 2HB ALA 21 -2.588 -5.176 2.990 131 H PHE 22 H PHE 22 -4.309 -1.595 3.227 132 HA PHE 22 HA PHE 22 -4.311 -0.685 5.987 133 HB2 PHE 22 1HB PHE 22 -3.962 1.209 3.656 134 HB3 PHE 22 2HB PHE 22 -4.377 1.714 5.290 135 HD1 PHE 22 HD2 PHE 22 -1.748 0.303 3.156 136 HD2 PHE 22 HD1 PHE 22 -2.738 1.763 7.030 137 HE1 PHE 22 HE2 PHE 22 0.643 0.397 3.728 138 HE2 PHE 22 HE1 PHE 22 -0.348 1.860 7.608 139 HZ PHE 22 HZ PHE 22 1.346 1.175 5.957 140 H THR 23 H THR 23 -6.327 -0.440 6.715 141 HA THR 23 HA THR 23 -8.559 -1.137 5.182 142 HB THR 23 HB THR 23 -8.694 0.541 7.686 143 HG1 THR 23 HG1 THR 23 -7.874 -2.103 7.311 144 HG21 THR 23 3HG2 THR 23 -10.538 -1.710 7.150 145 HG22 THR 23 1HG2 THR 23 -10.710 -0.292 6.117 146 HG23 THR 23 2HG2 THR 23 -10.856 -0.131 7.867 147 H ASP 24 H ASP 24 -7.588 2.077 6.383 148 HA ASP 24 HA ASP 24 -9.506 3.318 4.558 149 HB2 ASP 24 1HB ASP 24 -9.048 3.939 7.093 150 HB3 ASP 24 2HB ASP 24 -7.768 4.919 6.384 151 H ARG 25 H ARG 25 -8.924 4.806 2.979 152 HA ARG 25 HA ARG 25 -6.500 4.309 1.628 153 HB2 ARG 25 1HB ARG 25 -8.384 5.010 0.347 154 HB3 ARG 25 2HB ARG 25 -8.588 6.461 1.319 155 HG2 ARG 25 1HG ARG 25 -7.642 7.223 -0.665 156 HG3 ARG 25 2HG ARG 25 -6.283 7.146 0.458 157 HD2 ARG 25 1HD ARG 25 -5.425 6.162 -1.459 158 HD3 ARG 25 2HD ARG 25 -5.928 4.773 -0.497 159 HE ARG 25 HE ARG 25 -7.458 4.266 -2.114 160 HH11 ARG 25 1HH1 ARG 25 -6.462 7.578 -2.510 161 HH12 ARG 25 2HH1 ARG 25 -7.318 7.794 -4.000 162 HH21 ARG 25 1HH2 ARG 25 -8.590 4.538 -4.075 163 HH22 ARG 25 2HH2 ARG 25 -8.529 6.064 -4.889 164 H SER 26 H SER 26 -7.497 6.804 3.884 165 HA SER 26 HA SER 26 -5.468 8.665 3.496 166 HB2 SER 26 1HB SER 26 -7.539 8.817 5.014 167 HB3 SER 26 2HB SER 26 -6.557 7.994 6.226 168 HG SER 26 HG SER 26 -6.433 10.587 5.318 169 H ASN 27 H ASN 27 -5.552 5.965 5.823 170 HA ASN 27 HA ASN 27 -3.070 6.269 6.967 171 HB2 ASN 27 1HB ASN 27 -4.990 4.486 7.328 172 HB3 ASN 27 2HB ASN 27 -3.971 3.503 6.280 173 HD21 ASN 27 1HD2 ASN 27 -4.331 2.503 8.662 174 HD22 ASN 27 2HD2 ASN 27 -2.953 2.719 9.682 175 H LEU 28 H LEU 28 -3.887 4.703 3.907 176 HA LEU 28 HA LEU 28 -1.339 3.656 3.338 177 HB2 LEU 28 1HB LEU 28 -3.330 2.932 2.159 178 HB3 LEU 28 2HB LEU 28 -3.537 4.544 1.476 179 HG LEU 28 HG LEU 28 -1.417 4.235 0.227 180 HD11 LEU 28 1HD1 LEU 28 -1.341 1.811 1.851 181 HD12 LEU 28 2HD1 LEU 28 -0.038 2.676 1.038 182 HD13 LEU 28 3HD1 LEU 28 -1.032 1.531 0.137 183 HD21 LEU 28 3HD2 LEU 28 -2.461 2.154 -1.115 184 HD22 LEU 28 1HD2 LEU 28 -3.088 3.799 -1.226 185 HD23 LEU 28 2HD2 LEU 28 -3.863 2.631 -0.155 186 H ILE 29 H ILE 29 -2.836 6.766 2.550 187 HA ILE 29 HA ILE 29 -0.759 7.761 0.935 188 HB ILE 29 HB ILE 29 -2.711 9.299 2.653 189 HG12 ILE 29 1HG1 ILE 29 -2.843 8.674 -0.302 190 HG13 ILE 29 2HG1 ILE 29 -3.694 7.750 0.931 191 HG21 ILE 29 1HG2 ILE 29 -1.029 10.221 0.326 192 HG22 ILE 29 2HG2 ILE 29 -2.234 11.185 1.177 193 HG23 ILE 29 3HG2 ILE 29 -0.779 10.650 2.018 194 HD11 ILE 29 3HD1 ILE 29 -4.467 10.165 -0.369 195 HD12 ILE 29 1HD1 ILE 29 -5.381 9.163 0.758 196 HD13 ILE 29 2HD1 ILE 29 -4.338 10.448 1.367 197 H LYS 30 H LYS 30 -1.332 7.948 4.419 198 HA LYS 30 HA LYS 30 0.889 9.651 4.957 199 HB2 LYS 30 1HB LYS 30 -0.758 9.711 6.608 200 HB3 LYS 30 2HB LYS 30 -0.934 7.961 6.634 201 HG2 LYS 30 1HG LYS 30 1.339 7.822 7.650 202 HG3 LYS 30 2HG LYS 30 1.331 9.583 7.769 203 HD2 LYS 30 1HD LYS 30 -0.249 9.600 9.425 204 HD3 LYS 30 2HD LYS 30 -0.989 8.092 8.883 205 HE2 LYS 30 1HE LYS 30 0.554 6.784 9.985 206 HE3 LYS 30 2HE LYS 30 1.786 8.045 9.977 207 HZ1 LYS 30 3HZ LYS 30 -0.691 8.157 11.608 208 HZ2 LYS 30 1HZ LYS 30 0.626 9.216 11.681 209 HZ3 LYS 30 2HZ LYS 30 0.801 7.613 12.190 210 H HIS 31 H HIS 31 0.450 6.206 4.670 211 HA HIS 31 HA HIS 31 2.945 5.507 5.903 212 HB2 HIS 31 1HB HIS 31 1.338 3.802 6.006 213 HB3 HIS 31 2HB HIS 31 0.883 4.000 4.316 214 HD1 HIS 31 HD1 HIS 31 3.614 2.544 6.468 215 HD2 HIS 31 HD2 HIS 31 2.300 2.455 2.528 216 HE1 HIS 31 HE1 HIS 31 4.949 0.726 5.355 217 H GLN 32 H GLN 32 1.763 5.655 2.552 218 HA GLN 32 HA GLN 32 4.030 4.800 1.230 219 HB2 GLN 32 1HB GLN 32 1.923 6.811 0.470 220 HB3 GLN 32 2HB GLN 32 3.229 6.383 -0.627 221 HG2 GLN 32 1HG GLN 32 2.442 3.943 -0.159 222 HG3 GLN 32 2HG GLN 32 0.944 4.731 0.333 223 HE21 GLN 32 1HE2 GLN 32 1.737 2.989 -1.992 224 HE22 GLN 32 2HE2 GLN 32 1.180 3.852 -3.382 225 H LYS 33 H LYS 33 3.602 7.634 3.074 226 HA LYS 33 HA LYS 33 5.404 9.387 1.818 227 HB2 LYS 33 1HB LYS 33 4.763 9.175 4.766 228 HB3 LYS 33 2HB LYS 33 5.478 10.564 3.959 229 HG2 LYS 33 1HG LYS 33 3.332 10.535 2.519 230 HG3 LYS 33 2HG LYS 33 2.676 9.535 3.817 231 HD2 LYS 33 1HD LYS 33 2.071 11.638 4.530 232 HD3 LYS 33 2HD LYS 33 3.621 11.438 5.350 233 HE2 LYS 33 1HE LYS 33 4.525 12.519 3.109 234 HE3 LYS 33 2HE LYS 33 2.889 13.171 3.047 235 HZ1 LYS 33 3HZ LYS 33 3.473 14.695 4.521 236 HZ2 LYS 33 1HZ LYS 33 5.050 14.084 4.560 237 HZ3 LYS 33 2HZ LYS 33 3.891 13.502 5.645 238 H ILE 34 H ILE 34 5.887 6.669 3.948 239 HA ILE 34 HA ILE 34 8.511 7.213 4.789 240 HB ILE 34 HB ILE 34 8.659 4.968 5.480 241 HG12 ILE 34 1HG1 ILE 34 6.430 4.307 3.543 242 HG13 ILE 34 2HG1 ILE 34 8.134 3.954 3.282 243 HG21 ILE 34 1HG2 ILE 34 6.326 6.471 5.965 244 HG22 ILE 34 2HG2 ILE 34 5.828 4.787 5.808 245 HG23 ILE 34 3HG2 ILE 34 7.057 5.236 6.991 246 HD11 ILE 34 3HD1 ILE 34 8.078 2.537 5.325 247 HD12 ILE 34 1HD1 ILE 34 6.335 2.792 5.390 248 HD13 ILE 34 2HD1 ILE 34 7.054 1.963 4.009 249 H HIS 35 H HIS 35 7.247 6.086 1.774 250 HA HIS 35 HA HIS 35 9.846 5.166 0.837 251 HB2 HIS 35 1HB HIS 35 7.253 5.358 -0.705 252 HB3 HIS 35 2HB HIS 35 8.692 4.452 -1.161 253 HD1 HIS 35 HD1 HIS 35 9.333 2.701 1.073 254 HD2 HIS 35 HD2 HIS 35 5.386 3.626 0.162 255 HE1 HIS 35 HE1 HIS 35 7.957 0.861 2.096 256 H THR 36 H THR 36 9.212 8.027 1.510 257 HA THR 36 HA THR 36 9.419 9.348 -1.077 258 HB THR 36 HB THR 36 9.339 11.450 0.209 259 HG1 THR 36 HG1 THR 36 10.304 10.200 2.149 260 HG21 THR 36 3HG2 THR 36 7.189 10.891 -0.340 261 HG22 THR 36 1HG2 THR 36 7.057 10.843 1.417 262 HG23 THR 36 2HG2 THR 36 7.257 9.346 0.507 263 H GLY 37 H GLY 37 11.595 7.669 -0.441 264 HA2 GLY 37 1HA GLY 37 13.732 9.689 -0.181 265 HA3 GLY 37 2HA GLY 37 13.844 8.138 0.637 266 H GLU 38 H GLU 38 15.800 9.040 -1.128 267 HA GLU 38 HA GLU 38 15.349 7.618 -3.636 268 HB2 GLU 38 1HB GLU 38 17.572 9.408 -2.660 269 HB3 GLU 38 2HB GLU 38 17.663 8.523 -4.177 270 HG2 GLU 38 1HG GLU 38 16.112 9.835 -5.203 271 HG3 GLU 38 2HG GLU 38 15.275 10.216 -3.699 272 H LYS 39 H LYS 39 16.688 5.935 -4.366 273 HA LYS 39 HA LYS 39 18.045 4.472 -2.202 274 HB2 LYS 39 1HB LYS 39 17.704 2.486 -3.804 275 HB3 LYS 39 2HB LYS 39 16.299 3.104 -2.946 276 HG2 LYS 39 1HG LYS 39 15.653 4.374 -4.943 277 HG3 LYS 39 2HG LYS 39 17.045 3.709 -5.801 278 HD2 LYS 39 1HD LYS 39 16.006 1.415 -5.052 279 HD3 LYS 39 2HD LYS 39 14.525 2.369 -4.932 280 HE2 LYS 39 1HE LYS 39 16.190 2.587 -7.395 281 HE3 LYS 39 2HE LYS 39 15.186 1.155 -7.171 282 HZ1 LYS 39 3HZ LYS 39 13.269 2.641 -6.864 283 HZ2 LYS 39 1HZ LYS 39 13.974 2.807 -8.393 284 HZ3 LYS 39 2HZ LYS 39 14.254 3.974 -7.201 285 HA PRO 40 HA PRO 40 21.420 5.801 -5.065 286 HB2 PRO 40 1HB PRO 40 23.200 6.313 -3.080 287 HB3 PRO 40 2HB PRO 40 22.014 7.499 -3.637 288 HG2 PRO 40 1HG PRO 40 21.915 5.700 -1.246 289 HG3 PRO 40 2HG PRO 40 21.471 7.412 -1.377 290 HD2 PRO 40 1HD PRO 40 19.632 5.424 -1.396 291 HD3 PRO 40 2HD PRO 40 19.412 6.936 -2.299 292 H SER 41 H SER 41 21.974 3.857 -5.943 293 HA SER 41 HA SER 41 23.704 2.130 -4.310 294 HB2 SER 41 1HB SER 41 22.686 0.140 -5.140 295 HB3 SER 41 2HB SER 41 21.365 1.180 -4.607 296 HG SER 41 HG SER 41 22.190 0.548 -7.223 297 H GLY 42 H GLY 42 25.298 0.951 -5.480 298 HA2 GLY 42 1HA GLY 42 25.852 0.612 -8.048 299 HA3 GLY 42 2HA GLY 42 26.130 2.342 -7.908 300 HA PRO 43 HA PRO 43 30.172 0.331 -7.067 301 HB2 PRO 43 1HB PRO 43 31.627 2.256 -8.311 302 HB3 PRO 43 2HB PRO 43 30.897 0.896 -9.172 303 HG2 PRO 43 1HG PRO 43 29.916 3.711 -8.898 304 HG3 PRO 43 2HG PRO 43 29.943 2.671 -10.334 305 HD2 PRO 43 1HD PRO 43 27.704 3.066 -8.863 306 HD3 PRO 43 2HD PRO 43 28.037 1.538 -9.704 307 H SER 44 H SER 44 28.516 2.941 -5.935 308 HA SER 44 HA SER 44 30.738 3.743 -4.172 309 HB2 SER 44 1HB SER 44 29.689 5.978 -4.020 310 HB3 SER 44 2HB SER 44 30.155 5.582 -5.675 311 HG SER 44 HG SER 44 28.099 5.447 -6.243 312 H SER 45 H SER 45 30.389 2.774 -2.281 313 HA SER 45 HA SER 45 27.671 2.377 -1.310 314 HB2 SER 45 1HB SER 45 29.702 0.686 -1.211 315 HB3 SER 45 2HB SER 45 30.080 1.568 0.268 316 HG SER 45 HG SER 45 27.623 1.145 0.589 317 H GLY 46 H GLY 46 26.873 3.215 0.615 318 HA2 GLY 46 1HA GLY 46 27.624 5.829 1.281 319 HA3 GLY 46 2HA GLY 46 26.575 4.801 2.245 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.891 -16.820 14.820 2 HA2 GLY 1 1HA GLY 1 0.123 -19.436 14.288 3 HA3 GLY 1 2HA GLY 1 0.354 -19.331 16.027 4 H SER 2 H SER 2 -0.898 -17.712 17.198 5 HA SER 2 HA SER 2 -3.440 -17.095 15.838 6 HB2 SER 2 1HB SER 2 -2.972 -17.977 18.693 7 HB3 SER 2 2HB SER 2 -4.509 -17.346 18.103 8 HG SER 2 HG SER 2 -3.156 -19.680 17.226 9 H SER 3 H SER 3 -4.085 -15.036 15.867 10 HA SER 3 HA SER 3 -3.351 -13.221 17.972 11 HB2 SER 3 1HB SER 3 -2.264 -12.729 15.189 12 HB3 SER 3 2HB SER 3 -2.137 -11.626 16.559 13 HG SER 3 HG SER 3 -0.583 -12.808 17.376 14 H GLY 4 H GLY 4 -4.691 -11.456 18.072 15 HA2 GLY 4 1HA GLY 4 -7.218 -11.527 17.071 16 HA3 GLY 4 2HA GLY 4 -6.412 -10.026 17.503 17 H SER 5 H SER 5 -7.780 -11.830 15.005 18 HA SER 5 HA SER 5 -6.324 -10.881 12.783 19 HB2 SER 5 1HB SER 5 -8.201 -11.643 11.442 20 HB3 SER 5 2HB SER 5 -7.888 -12.819 12.718 21 HG SER 5 HG SER 5 -10.087 -11.232 12.287 22 H SER 6 H SER 6 -7.627 -9.575 11.022 23 HA SER 6 HA SER 6 -8.592 -7.117 12.333 24 HB2 SER 6 1HB SER 6 -7.062 -7.430 9.740 25 HB3 SER 6 2HB SER 6 -7.722 -5.907 10.335 26 HG SER 6 HG SER 6 -5.389 -6.689 10.838 27 H GLY 7 H GLY 7 -8.919 -9.176 9.462 28 HA2 GLY 7 1HA GLY 7 -11.746 -8.913 9.420 29 HA3 GLY 7 2HA GLY 7 -11.022 -7.870 8.204 30 H THR 8 H THR 8 -12.751 -9.959 7.560 31 HA THR 8 HA THR 8 -11.247 -12.275 6.767 32 HB THR 8 HB THR 8 -14.030 -11.416 5.950 33 HG1 THR 8 HG1 THR 8 -13.005 -12.934 8.103 34 HG21 THR 8 3HG2 THR 8 -12.421 -13.894 5.470 35 HG22 THR 8 1HG2 THR 8 -13.447 -12.995 4.354 36 HG23 THR 8 2HG2 THR 8 -14.176 -13.995 5.611 37 H GLY 9 H GLY 9 -10.300 -12.702 4.853 38 HA2 GLY 9 1HA GLY 9 -9.765 -12.497 2.604 39 HA3 GLY 9 2HA GLY 9 -10.973 -11.228 2.464 40 H GLU 10 H GLU 10 -9.323 -10.199 1.109 41 HA GLU 10 HA GLU 10 -7.043 -9.089 2.557 42 HB2 GLU 10 1HB GLU 10 -7.775 -9.413 -0.308 43 HB3 GLU 10 2HB GLU 10 -6.737 -8.058 0.114 44 HG2 GLU 10 1HG GLU 10 -6.166 -10.925 0.822 45 HG3 GLU 10 2HG GLU 10 -5.507 -10.087 -0.582 46 H ARG 11 H ARG 11 -6.542 -6.709 1.808 47 HA ARG 11 HA ARG 11 -8.910 -5.145 2.532 48 HB2 ARG 11 1HB ARG 11 -5.956 -4.675 2.732 49 HB3 ARG 11 2HB ARG 11 -7.063 -3.310 2.754 50 HG2 ARG 11 1HG ARG 11 -8.259 -4.499 4.650 51 HG3 ARG 11 2HG ARG 11 -6.857 -5.569 4.717 52 HD2 ARG 11 1HD ARG 11 -5.473 -3.411 4.870 53 HD3 ARG 11 2HD ARG 11 -7.002 -2.619 5.250 54 HE ARG 11 HE ARG 11 -6.804 -3.447 7.357 55 HH11 ARG 11 1HH1 ARG 11 -5.008 -5.509 5.203 56 HH12 ARG 11 2HH1 ARG 11 -4.416 -6.535 6.468 57 HH21 ARG 11 1HH2 ARG 11 -6.031 -4.789 9.032 58 HH22 ARG 11 2HH2 ARG 11 -5.000 -6.125 8.646 59 HA PRO 12 HA PRO 12 -9.367 -3.278 -1.413 60 HB2 PRO 12 1HB PRO 12 -10.107 -0.753 -0.743 61 HB3 PRO 12 2HB PRO 12 -11.172 -2.151 -0.547 62 HG2 PRO 12 1HG PRO 12 -9.486 -0.752 1.494 63 HG3 PRO 12 2HG PRO 12 -11.151 -1.348 1.635 64 HD2 PRO 12 1HD PRO 12 -9.029 -2.704 2.631 65 HD3 PRO 12 2HD PRO 12 -10.476 -3.520 2.005 66 H TYR 13 H TYR 13 -7.542 -1.292 0.907 67 HA TYR 13 HA TYR 13 -5.990 -0.171 -1.316 68 HB2 TYR 13 1HB TYR 13 -5.773 0.720 1.547 69 HB3 TYR 13 2HB TYR 13 -5.421 1.627 0.080 70 HD1 TYR 13 HD1 TYR 13 -7.342 2.380 -1.371 71 HD2 TYR 13 HD2 TYR 13 -7.914 0.791 2.534 72 HE1 TYR 13 HE1 TYR 13 -9.592 3.372 -1.303 73 HE2 TYR 13 HE2 TYR 13 -10.165 1.779 2.613 74 HH TYR 13 HH TYR 13 -11.628 3.111 1.589 75 H ILE 14 H ILE 14 -3.867 -0.580 -1.583 76 HA ILE 14 HA ILE 14 -2.330 -1.838 0.541 77 HB ILE 14 HB ILE 14 -2.681 -3.173 -2.146 78 HG12 ILE 14 1HG1 ILE 14 -3.467 -5.076 -0.578 79 HG13 ILE 14 2HG1 ILE 14 -3.674 -3.806 0.623 80 HG21 ILE 14 1HG2 ILE 14 -1.241 -4.530 0.038 81 HG22 ILE 14 2HG2 ILE 14 -0.931 -4.523 -1.697 82 HG23 ILE 14 3HG2 ILE 14 -0.410 -3.163 -0.704 83 HD11 ILE 14 3HD1 ILE 14 -5.670 -3.381 -0.213 84 HD12 ILE 14 1HD1 ILE 14 -4.922 -2.920 -1.742 85 HD13 ILE 14 2HD1 ILE 14 -5.422 -4.589 -1.473 86 H CYS 15 H CYS 15 -0.381 -0.947 0.599 87 HA CYS 15 HA CYS 15 0.513 0.987 -1.189 88 HB2 CYS 15 1HB CYS 15 1.330 0.664 1.154 89 HB3 CYS 15 2HB CYS 15 2.254 -0.726 0.594 90 H THR 16 H THR 16 1.155 0.801 -3.220 91 HA THR 16 HA THR 16 2.016 -1.769 -4.261 92 HB THR 16 HB THR 16 0.432 -0.417 -5.571 93 HG1 THR 16 HG1 THR 16 1.673 -0.522 -7.560 94 HG21 THR 16 3HG2 THR 16 1.462 1.790 -4.846 95 HG22 THR 16 1HG2 THR 16 0.998 1.665 -6.542 96 HG23 THR 16 2HG2 THR 16 2.692 1.507 -6.077 97 H VAL 17 H VAL 17 3.744 -0.297 -2.394 98 HA VAL 17 HA VAL 17 6.086 0.064 -4.150 99 HB VAL 17 HB VAL 17 5.519 1.459 -1.531 100 HG11 VAL 17 1HG1 VAL 17 7.846 1.099 -1.599 101 HG12 VAL 17 2HG1 VAL 17 7.931 1.454 -3.325 102 HG13 VAL 17 3HG1 VAL 17 7.609 2.750 -2.173 103 HG21 VAL 17 3HG2 VAL 17 5.902 2.782 -4.193 104 HG22 VAL 17 1HG2 VAL 17 4.320 2.182 -3.697 105 HG23 VAL 17 2HG2 VAL 17 5.136 3.415 -2.736 106 H CYS 18 H CYS 18 5.058 -0.855 -0.871 107 HA CYS 18 HA CYS 18 7.443 -2.574 -0.687 108 HB2 CYS 18 1HB CYS 18 7.211 -2.443 1.734 109 HB3 CYS 18 2HB CYS 18 7.285 -0.823 1.049 110 H GLY 19 H GLY 19 3.951 -2.435 -0.177 111 HA2 GLY 19 1HA GLY 19 2.672 -4.399 -0.891 112 HA3 GLY 19 2HA GLY 19 3.937 -5.389 -0.178 113 H LYS 20 H LYS 20 2.472 -2.511 1.242 114 HA LYS 20 HA LYS 20 1.604 -4.168 3.504 115 HB2 LYS 20 1HB LYS 20 3.165 -2.135 3.773 116 HB3 LYS 20 2HB LYS 20 1.729 -1.161 3.487 117 HG2 LYS 20 1HG LYS 20 0.701 -1.891 5.455 118 HG3 LYS 20 2HG LYS 20 1.797 -3.264 5.622 119 HD2 LYS 20 1HD LYS 20 3.659 -1.647 5.981 120 HD3 LYS 20 2HD LYS 20 2.468 -0.344 5.976 121 HE2 LYS 20 1HE LYS 20 2.528 -2.675 7.890 122 HE3 LYS 20 2HE LYS 20 3.055 -1.032 8.253 123 HZ1 LYS 20 3HZ LYS 20 0.982 -0.547 8.803 124 HZ2 LYS 20 1HZ LYS 20 0.467 -2.108 8.401 125 HZ3 LYS 20 2HZ LYS 20 0.465 -0.888 7.229 126 H ALA 21 H ALA 21 -0.454 -3.699 4.518 127 HA ALA 21 HA ALA 21 -2.449 -2.718 2.581 128 HB1 ALA 21 3HB ALA 21 -2.270 -5.226 3.787 129 HB2 ALA 21 1HB ALA 21 -3.576 -4.397 4.636 130 HB3 ALA 21 2HB ALA 21 -3.636 -4.573 2.881 131 H PHE 22 H PHE 22 -4.371 -1.716 3.488 132 HA PHE 22 HA PHE 22 -4.230 -0.775 6.227 133 HB2 PHE 22 1HB PHE 22 -4.061 1.110 3.871 134 HB3 PHE 22 2HB PHE 22 -4.456 1.622 5.508 135 HD1 PHE 22 HD2 PHE 22 -1.821 0.249 3.344 136 HD2 PHE 22 HD1 PHE 22 -2.776 1.822 7.182 137 HE1 PHE 22 HE2 PHE 22 0.578 0.462 3.850 138 HE2 PHE 22 HE1 PHE 22 -0.378 2.038 7.694 139 HZ PHE 22 HZ PHE 22 1.302 1.356 6.027 140 H THR 23 H THR 23 -6.204 -0.277 7.066 141 HA THR 23 HA THR 23 -8.507 -1.252 5.816 142 HB THR 23 HB THR 23 -9.775 -0.189 7.630 143 HG1 THR 23 HG1 THR 23 -8.363 0.985 9.213 144 HG21 THR 23 3HG2 THR 23 -8.515 -2.298 8.028 145 HG22 THR 23 1HG2 THR 23 -8.739 -1.330 9.484 146 HG23 THR 23 2HG2 THR 23 -7.179 -1.336 8.661 147 H ASP 24 H ASP 24 -7.628 2.144 6.478 148 HA ASP 24 HA ASP 24 -9.617 3.002 4.509 149 HB2 ASP 24 1HB ASP 24 -8.060 4.496 6.621 150 HB3 ASP 24 2HB ASP 24 -9.060 5.305 5.417 151 H ARG 25 H ARG 25 -8.939 4.954 3.161 152 HA ARG 25 HA ARG 25 -6.609 4.194 1.651 153 HB2 ARG 25 1HB ARG 25 -8.473 4.894 0.364 154 HB3 ARG 25 2HB ARG 25 -8.686 6.351 1.326 155 HG2 ARG 25 1HG ARG 25 -7.759 7.048 -0.719 156 HG3 ARG 25 2HG ARG 25 -6.441 7.105 0.453 157 HD2 ARG 25 1HD ARG 25 -5.534 6.108 -1.480 158 HD3 ARG 25 2HD ARG 25 -5.813 4.786 -0.346 159 HE ARG 25 HE ARG 25 -8.076 4.788 -1.797 160 HH11 ARG 25 1HH1 ARG 25 -4.712 4.827 -2.696 161 HH12 ARG 25 2HH1 ARG 25 -4.964 3.970 -4.180 162 HH21 ARG 25 1HH2 ARG 25 -8.420 3.658 -3.749 163 HH22 ARG 25 2HH2 ARG 25 -7.074 3.306 -4.778 164 H SER 26 H SER 26 -7.607 7.032 3.540 165 HA SER 26 HA SER 26 -5.422 8.665 3.136 166 HB2 SER 26 1HB SER 26 -7.069 8.290 5.647 167 HB3 SER 26 2HB SER 26 -5.935 9.617 5.396 168 HG SER 26 HG SER 26 -7.892 9.147 3.453 169 H ASN 27 H ASN 27 -5.788 6.009 5.443 170 HA ASN 27 HA ASN 27 -3.363 6.373 6.813 171 HB2 ASN 27 1HB ASN 27 -5.196 4.031 6.406 172 HB3 ASN 27 2HB ASN 27 -3.653 3.812 7.227 173 HD21 ASN 27 1HD2 ASN 27 -6.628 3.851 7.998 174 HD22 ASN 27 2HD2 ASN 27 -6.649 4.817 9.431 175 H LEU 28 H LEU 28 -4.117 4.875 3.759 176 HA LEU 28 HA LEU 28 -1.631 3.483 3.489 177 HB2 LEU 28 1HB LEU 28 -3.517 2.658 2.291 178 HB3 LEU 28 2HB LEU 28 -3.792 4.223 1.529 179 HG LEU 28 HG LEU 28 -1.720 3.942 0.237 180 HD11 LEU 28 1HD1 LEU 28 -1.262 1.856 2.131 181 HD12 LEU 28 2HD1 LEU 28 -0.175 2.501 0.902 182 HD13 LEU 28 3HD1 LEU 28 -1.267 1.174 0.504 183 HD21 LEU 28 3HD2 LEU 28 -2.644 2.555 -1.365 184 HD22 LEU 28 1HD2 LEU 28 -4.059 3.031 -0.426 185 HD23 LEU 28 2HD2 LEU 28 -3.322 1.449 -0.169 186 H ILE 29 H ILE 29 -2.885 6.612 2.476 187 HA ILE 29 HA ILE 29 -0.673 7.290 0.816 188 HB ILE 29 HB ILE 29 -2.572 9.197 2.180 189 HG12 ILE 29 1HG1 ILE 29 -2.865 7.979 -0.569 190 HG13 ILE 29 2HG1 ILE 29 -3.695 7.361 0.855 191 HG21 ILE 29 1HG2 ILE 29 -2.054 10.497 0.020 192 HG22 ILE 29 2HG2 ILE 29 -0.835 10.464 1.292 193 HG23 ILE 29 3HG2 ILE 29 -0.665 9.420 -0.119 194 HD11 ILE 29 3HD1 ILE 29 -5.171 8.775 -0.410 195 HD12 ILE 29 1HD1 ILE 29 -4.787 9.549 1.128 196 HD13 ILE 29 2HD1 ILE 29 -4.004 10.097 -0.355 197 H LYS 30 H LYS 30 -1.486 7.875 4.199 198 HA LYS 30 HA LYS 30 0.725 9.599 4.714 199 HB2 LYS 30 1HB LYS 30 -0.034 9.687 6.889 200 HB3 LYS 30 2HB LYS 30 -1.509 9.236 6.044 201 HG2 LYS 30 1HG LYS 30 -1.119 6.889 6.631 202 HG3 LYS 30 2HG LYS 30 0.342 7.360 7.502 203 HD2 LYS 30 1HD LYS 30 -2.302 8.605 8.165 204 HD3 LYS 30 2HD LYS 30 -1.858 7.030 8.826 205 HE2 LYS 30 1HE LYS 30 0.049 7.940 9.920 206 HE3 LYS 30 2HE LYS 30 -0.116 9.474 9.067 207 HZ1 LYS 30 3HZ LYS 30 -2.011 10.028 10.306 208 HZ2 LYS 30 1HZ LYS 30 -0.921 9.408 11.442 209 HZ3 LYS 30 2HZ LYS 30 -2.207 8.454 10.896 210 H HIS 31 H HIS 31 0.492 6.282 4.203 211 HA HIS 31 HA HIS 31 2.803 5.625 5.863 212 HB2 HIS 31 1HB HIS 31 1.328 3.867 6.045 213 HB3 HIS 31 2HB HIS 31 0.735 4.052 4.397 214 HD1 HIS 31 HD1 HIS 31 3.501 2.478 6.377 215 HD2 HIS 31 HD2 HIS 31 2.113 2.597 2.463 216 HE1 HIS 31 HE1 HIS 31 4.757 0.669 5.164 217 H GLN 32 H GLN 32 1.892 6.050 2.512 218 HA GLN 32 HA GLN 32 4.148 4.890 1.305 219 HB2 GLN 32 1HB GLN 32 2.180 6.983 0.434 220 HB3 GLN 32 2HB GLN 32 3.558 6.573 -0.579 221 HG2 GLN 32 1HG GLN 32 2.797 4.191 -0.494 222 HG3 GLN 32 2HG GLN 32 1.333 4.758 0.308 223 HE21 GLN 32 1HE2 GLN 32 -0.204 4.468 -1.168 224 HE22 GLN 32 2HE2 GLN 32 -0.183 5.110 -2.771 225 H LYS 33 H LYS 33 3.852 7.686 3.186 226 HA LYS 33 HA LYS 33 5.786 9.366 2.026 227 HB2 LYS 33 1HB LYS 33 4.755 9.076 4.841 228 HB3 LYS 33 2HB LYS 33 5.981 10.264 4.421 229 HG2 LYS 33 1HG LYS 33 3.405 10.155 2.910 230 HG3 LYS 33 2HG LYS 33 3.498 10.967 4.474 231 HD2 LYS 33 1HD LYS 33 5.413 12.303 3.567 232 HD3 LYS 33 2HD LYS 33 5.082 11.593 1.986 233 HE2 LYS 33 1HE LYS 33 3.122 12.753 1.725 234 HE3 LYS 33 2HE LYS 33 2.839 12.878 3.461 235 HZ1 LYS 33 3HZ LYS 33 3.797 14.861 3.485 236 HZ2 LYS 33 1HZ LYS 33 3.902 14.809 1.797 237 HZ3 LYS 33 2HZ LYS 33 5.197 14.270 2.742 238 H ILE 34 H ILE 34 6.078 6.424 3.753 239 HA ILE 34 HA ILE 34 8.751 6.850 4.712 240 HB ILE 34 HB ILE 34 8.712 4.641 5.500 241 HG12 ILE 34 1HG1 ILE 34 6.448 4.100 3.564 242 HG13 ILE 34 2HG1 ILE 34 8.110 3.547 3.385 243 HG21 ILE 34 1HG2 ILE 34 7.243 5.713 6.894 244 HG22 ILE 34 2HG2 ILE 34 6.073 6.015 5.610 245 HG23 ILE 34 3HG2 ILE 34 6.223 4.401 6.304 246 HD11 ILE 34 3HD1 ILE 34 5.977 2.590 5.218 247 HD12 ILE 34 1HD1 ILE 34 7.112 1.675 4.226 248 HD13 ILE 34 2HD1 ILE 34 7.662 2.444 5.715 249 H HIS 35 H HIS 35 7.463 6.272 1.685 250 HA HIS 35 HA HIS 35 9.940 4.991 0.739 251 HB2 HIS 35 1HB HIS 35 7.294 5.116 -0.714 252 HB3 HIS 35 2HB HIS 35 8.705 4.157 -1.151 253 HD1 HIS 35 HD1 HIS 35 9.388 2.449 1.031 254 HD2 HIS 35 HD2 HIS 35 5.430 3.579 0.469 255 HE1 HIS 35 HE1 HIS 35 8.019 0.730 2.253 256 H THR 36 H THR 36 9.350 7.886 1.283 257 HA THR 36 HA THR 36 10.699 8.963 -0.963 258 HB THR 36 HB THR 36 8.283 8.699 -1.807 259 HG1 THR 36 HG1 THR 36 8.466 11.072 -2.567 260 HG21 THR 36 3HG2 THR 36 7.815 11.247 -0.290 261 HG22 THR 36 1HG2 THR 36 7.390 9.682 0.403 262 HG23 THR 36 2HG2 THR 36 6.643 10.211 -1.105 263 H GLY 37 H GLY 37 11.542 10.978 -0.536 264 HA2 GLY 37 1HA GLY 37 11.246 13.126 0.671 265 HA3 GLY 37 2HA GLY 37 10.767 12.162 2.060 266 H GLU 38 H GLU 38 12.417 13.203 3.284 267 HA GLU 38 HA GLU 38 15.077 13.443 2.743 268 HB2 GLU 38 1HB GLU 38 14.000 14.233 4.817 269 HB3 GLU 38 2HB GLU 38 13.893 12.573 5.386 270 HG2 GLU 38 1HG GLU 38 15.774 13.923 6.335 271 HG3 GLU 38 2HG GLU 38 16.236 12.390 5.598 272 H LYS 39 H LYS 39 13.448 10.555 4.012 273 HA LYS 39 HA LYS 39 15.484 8.859 4.532 274 HB2 LYS 39 1HB LYS 39 12.864 8.497 4.342 275 HB3 LYS 39 2HB LYS 39 13.307 7.784 2.797 276 HG2 LYS 39 1HG LYS 39 14.562 6.089 3.808 277 HG3 LYS 39 2HG LYS 39 14.623 6.938 5.354 278 HD2 LYS 39 1HD LYS 39 12.501 6.308 5.938 279 HD3 LYS 39 2HD LYS 39 11.957 6.194 4.263 280 HE2 LYS 39 1HE LYS 39 12.055 3.975 4.786 281 HE3 LYS 39 2HE LYS 39 13.703 4.212 4.205 282 HZ1 LYS 39 3HZ LYS 39 14.162 3.209 6.162 283 HZ2 LYS 39 1HZ LYS 39 12.738 3.730 6.913 284 HZ3 LYS 39 2HZ LYS 39 14.047 4.789 6.753 285 HA PRO 40 HA PRO 40 17.914 8.440 0.880 286 HB2 PRO 40 1HB PRO 40 19.157 6.103 1.484 287 HB3 PRO 40 2HB PRO 40 19.567 7.638 2.259 288 HG2 PRO 40 1HG PRO 40 17.833 5.414 3.262 289 HG3 PRO 40 2HG PRO 40 19.051 6.362 4.134 290 HD2 PRO 40 1HD PRO 40 16.397 6.857 4.343 291 HD3 PRO 40 2HD PRO 40 17.620 8.139 4.457 292 H SER 41 H SER 41 17.149 7.871 -1.048 293 HA SER 41 HA SER 41 15.812 5.258 -1.319 294 HB2 SER 41 1HB SER 41 14.474 6.219 -3.117 295 HB3 SER 41 2HB SER 41 14.300 7.195 -1.659 296 HG SER 41 HG SER 41 14.827 8.766 -2.958 297 H GLY 42 H GLY 42 17.770 4.186 -1.801 298 HA2 GLY 42 1HA GLY 42 19.613 4.994 -3.761 299 HA3 GLY 42 2HA GLY 42 19.388 3.346 -3.194 300 HA PRO 43 HA PRO 43 17.731 4.130 -7.625 301 HB2 PRO 43 1HB PRO 43 19.880 3.330 -9.078 302 HB3 PRO 43 2HB PRO 43 19.616 5.011 -8.601 303 HG2 PRO 43 1HG PRO 43 21.386 2.944 -7.354 304 HG3 PRO 43 2HG PRO 43 21.721 4.655 -7.680 305 HD2 PRO 43 1HD PRO 43 21.031 3.749 -5.224 306 HD3 PRO 43 2HD PRO 43 20.584 5.365 -5.806 307 H SER 44 H SER 44 19.158 1.695 -5.744 308 HA SER 44 HA SER 44 19.297 -0.572 -7.202 309 HB2 SER 44 1HB SER 44 18.109 -0.129 -4.468 310 HB3 SER 44 2HB SER 44 18.242 -1.743 -5.165 311 HG SER 44 HG SER 44 20.207 -0.067 -4.184 312 H SER 45 H SER 45 17.964 -0.659 -8.986 313 HA SER 45 HA SER 45 15.149 -1.285 -8.410 314 HB2 SER 45 1HB SER 45 15.445 1.032 -9.386 315 HB3 SER 45 2HB SER 45 16.049 0.257 -10.850 316 HG SER 45 HG SER 45 13.779 0.723 -10.907 317 H GLY 46 H GLY 46 17.462 -3.014 -8.815 318 HA2 GLY 46 1HA GLY 46 16.475 -5.099 -10.203 319 HA3 GLY 46 2HA GLY 46 17.174 -4.116 -11.480 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.157 -20.854 12.714 2 HA2 GLY 1 1HA GLY 1 6.354 -22.210 13.223 3 HA3 GLY 1 2HA GLY 1 6.650 -21.899 14.927 4 H SER 2 H SER 2 4.981 -20.977 15.890 5 HA SER 2 HA SER 2 2.707 -20.000 14.755 6 HB2 SER 2 1HB SER 2 2.871 -20.399 17.147 7 HB3 SER 2 2HB SER 2 4.009 -19.063 17.323 8 HG SER 2 HG SER 2 2.282 -17.918 17.655 9 H SER 3 H SER 3 2.491 -18.500 13.237 10 HA SER 3 HA SER 3 3.480 -15.822 13.715 11 HB2 SER 3 1HB SER 3 4.313 -17.333 11.226 12 HB3 SER 3 2HB SER 3 4.641 -15.633 11.562 13 HG SER 3 HG SER 3 6.152 -16.182 12.965 14 H GLY 4 H GLY 4 1.687 -14.670 13.451 15 HA2 GLY 4 1HA GLY 4 0.004 -15.256 11.093 16 HA3 GLY 4 2HA GLY 4 -0.687 -14.842 12.655 17 H SER 5 H SER 5 -1.213 -13.461 10.244 18 HA SER 5 HA SER 5 0.339 -11.012 10.320 19 HB2 SER 5 1HB SER 5 -1.147 -10.308 8.455 20 HB3 SER 5 2HB SER 5 -0.353 -11.851 8.143 21 HG SER 5 HG SER 5 -2.970 -11.301 8.228 22 H SER 6 H SER 6 -1.242 -8.967 9.988 23 HA SER 6 HA SER 6 -2.582 -8.710 12.538 24 HB2 SER 6 1HB SER 6 -1.862 -6.789 10.336 25 HB3 SER 6 2HB SER 6 -2.949 -6.308 11.639 26 HG SER 6 HG SER 6 -0.232 -7.037 11.768 27 H GLY 7 H GLY 7 -3.989 -10.538 11.192 28 HA2 GLY 7 1HA GLY 7 -6.486 -10.432 11.301 29 HA3 GLY 7 2HA GLY 7 -6.354 -9.064 10.205 30 H THR 8 H THR 8 -7.659 -11.778 10.006 31 HA THR 8 HA THR 8 -6.210 -13.174 7.957 32 HB THR 8 HB THR 8 -8.273 -14.547 7.746 33 HG1 THR 8 HG1 THR 8 -10.069 -13.698 8.451 34 HG21 THR 8 3HG2 THR 8 -8.275 -15.119 10.359 35 HG22 THR 8 1HG2 THR 8 -6.825 -14.119 10.297 36 HG23 THR 8 2HG2 THR 8 -6.944 -15.562 9.291 37 H GLY 9 H GLY 9 -9.219 -11.260 8.017 38 HA2 GLY 9 1HA GLY 9 -9.932 -11.381 5.368 39 HA3 GLY 9 2HA GLY 9 -10.191 -9.968 6.380 40 H GLU 10 H GLU 10 -9.783 -9.631 3.710 41 HA GLU 10 HA GLU 10 -6.984 -8.753 3.485 42 HB2 GLU 10 1HB GLU 10 -7.831 -10.328 1.749 43 HB3 GLU 10 2HB GLU 10 -9.017 -9.119 1.279 44 HG2 GLU 10 1HG GLU 10 -7.300 -7.617 0.563 45 HG3 GLU 10 2HG GLU 10 -6.044 -8.673 1.207 46 H ARG 11 H ARG 11 -6.581 -6.695 2.405 47 HA ARG 11 HA ARG 11 -8.688 -4.734 3.028 48 HB2 ARG 11 1HB ARG 11 -5.684 -4.407 2.950 49 HB3 ARG 11 2HB ARG 11 -6.820 -3.088 3.198 50 HG2 ARG 11 1HG ARG 11 -6.730 -5.490 4.996 51 HG3 ARG 11 2HG ARG 11 -5.727 -4.062 5.261 52 HD2 ARG 11 1HD ARG 11 -7.651 -3.771 6.602 53 HD3 ARG 11 2HD ARG 11 -7.860 -2.710 5.208 54 HE ARG 11 HE ARG 11 -9.672 -3.958 4.571 55 HH11 ARG 11 1HH1 ARG 11 -7.851 -5.716 6.961 56 HH12 ARG 11 2HH1 ARG 11 -9.044 -6.959 7.145 57 HH21 ARG 11 1HH2 ARG 11 -11.251 -5.588 4.805 58 HH22 ARG 11 2HH2 ARG 11 -10.977 -6.886 5.918 59 HA PRO 12 HA PRO 12 -8.978 -3.704 -1.239 60 HB2 PRO 12 1HB PRO 12 -9.915 -1.166 -1.018 61 HB3 PRO 12 2HB PRO 12 -10.909 -2.589 -0.687 62 HG2 PRO 12 1HG PRO 12 -9.477 -0.790 1.230 63 HG3 PRO 12 2HG PRO 12 -11.110 -1.472 1.343 64 HD2 PRO 12 1HD PRO 12 -9.000 -2.514 2.683 65 HD3 PRO 12 2HD PRO 12 -10.342 -3.513 2.088 66 H TYR 13 H TYR 13 -7.602 -1.112 0.793 67 HA TYR 13 HA TYR 13 -5.992 -0.158 -1.423 68 HB2 TYR 13 1HB TYR 13 -5.869 0.817 1.427 69 HB3 TYR 13 2HB TYR 13 -5.426 1.684 -0.039 70 HD1 TYR 13 HD1 TYR 13 -7.156 2.627 -1.497 71 HD2 TYR 13 HD2 TYR 13 -8.166 0.671 2.144 72 HE1 TYR 13 HE1 TYR 13 -9.406 3.614 -1.598 73 HE2 TYR 13 HE2 TYR 13 -10.420 1.651 2.052 74 HH TYR 13 HH TYR 13 -11.846 2.753 -0.459 75 H ILE 14 H ILE 14 -3.970 -0.757 -1.822 76 HA ILE 14 HA ILE 14 -2.348 -1.865 0.362 77 HB ILE 14 HB ILE 14 -2.153 -3.079 -2.366 78 HG12 ILE 14 1HG1 ILE 14 -4.516 -3.275 -1.814 79 HG13 ILE 14 2HG1 ILE 14 -3.736 -4.845 -1.655 80 HG21 ILE 14 1HG2 ILE 14 -1.541 -3.999 0.435 81 HG22 ILE 14 2HG2 ILE 14 -1.448 -5.045 -0.980 82 HG23 ILE 14 3HG2 ILE 14 -0.396 -3.635 -0.856 83 HD11 ILE 14 3HD1 ILE 14 -3.600 -3.574 0.862 84 HD12 ILE 14 1HD1 ILE 14 -5.249 -3.402 0.261 85 HD13 ILE 14 2HD1 ILE 14 -4.523 -5.004 0.400 86 H CYS 15 H CYS 15 -0.061 -1.737 0.027 87 HA CYS 15 HA CYS 15 0.676 0.563 -1.610 88 HB2 CYS 15 1HB CYS 15 1.373 0.542 0.744 89 HB3 CYS 15 2HB CYS 15 2.256 -0.957 0.476 90 H THR 16 H THR 16 1.445 0.261 -3.582 91 HA THR 16 HA THR 16 2.476 -2.330 -4.385 92 HB THR 16 HB THR 16 2.630 -1.268 -6.658 93 HG1 THR 16 HG1 THR 16 2.637 0.946 -5.501 94 HG21 THR 16 3HG2 THR 16 0.326 -1.450 -7.099 95 HG22 THR 16 1HG2 THR 16 -0.114 -0.893 -5.485 96 HG23 THR 16 2HG2 THR 16 0.597 -2.492 -5.703 97 H VAL 17 H VAL 17 4.065 -0.870 -2.498 98 HA VAL 17 HA VAL 17 6.493 -0.475 -4.119 99 HB VAL 17 HB VAL 17 5.712 1.090 -1.655 100 HG11 VAL 17 1HG1 VAL 17 8.110 1.666 -3.344 101 HG12 VAL 17 2HG1 VAL 17 7.785 2.112 -1.668 102 HG13 VAL 17 3HG1 VAL 17 8.196 0.445 -2.074 103 HG21 VAL 17 3HG2 VAL 17 4.943 1.501 -4.269 104 HG22 VAL 17 1HG2 VAL 17 4.960 2.715 -2.990 105 HG23 VAL 17 2HG2 VAL 17 6.335 2.567 -4.085 106 H CYS 18 H CYS 18 5.240 -1.215 -0.877 107 HA CYS 18 HA CYS 18 7.636 -2.869 -0.418 108 HB2 CYS 18 1HB CYS 18 7.370 -2.492 1.949 109 HB3 CYS 18 2HB CYS 18 7.362 -0.932 1.132 110 H GLY 19 H GLY 19 4.133 -2.701 -0.207 111 HA2 GLY 19 1HA GLY 19 2.830 -4.669 -0.703 112 HA3 GLY 19 2HA GLY 19 4.095 -5.638 0.038 113 H LYS 20 H LYS 20 2.177 -2.815 1.073 114 HA LYS 20 HA LYS 20 1.435 -4.344 3.482 115 HB2 LYS 20 1HB LYS 20 3.038 -2.550 4.003 116 HB3 LYS 20 2HB LYS 20 1.956 -1.372 3.273 117 HG2 LYS 20 1HG LYS 20 0.353 -1.637 4.982 118 HG3 LYS 20 2HG LYS 20 1.142 -3.092 5.597 119 HD2 LYS 20 1HD LYS 20 2.695 -0.551 5.523 120 HD3 LYS 20 2HD LYS 20 1.465 -0.752 6.774 121 HE2 LYS 20 1HE LYS 20 3.500 -2.891 6.271 122 HE3 LYS 20 2HE LYS 20 3.900 -1.488 7.261 123 HZ1 LYS 20 3HZ LYS 20 2.976 -3.581 8.395 124 HZ2 LYS 20 1HZ LYS 20 1.472 -3.063 7.819 125 HZ3 LYS 20 2HZ LYS 20 2.364 -2.076 8.864 126 H ALA 21 H ALA 21 -0.638 -3.918 4.378 127 HA ALA 21 HA ALA 21 -2.546 -2.853 2.404 128 HB1 ALA 21 3HB ALA 21 -3.635 -4.768 2.668 129 HB2 ALA 21 1HB ALA 21 -2.505 -5.277 3.923 130 HB3 ALA 21 2HB ALA 21 -3.934 -4.336 4.352 131 H PHE 22 H PHE 22 -4.572 -1.934 3.379 132 HA PHE 22 HA PHE 22 -4.413 -0.851 6.035 133 HB2 PHE 22 1HB PHE 22 -4.101 0.975 3.647 134 HB3 PHE 22 2HB PHE 22 -4.522 1.537 5.262 135 HD1 PHE 22 HD2 PHE 22 -1.878 0.165 3.146 136 HD2 PHE 22 HD1 PHE 22 -2.890 1.558 7.038 137 HE1 PHE 22 HE2 PHE 22 0.512 0.294 3.717 138 HE2 PHE 22 HE1 PHE 22 -0.501 1.691 7.615 139 HZ PHE 22 HZ PHE 22 1.203 1.057 5.954 140 H THR 23 H THR 23 -6.366 0.056 6.740 141 HA THR 23 HA THR 23 -8.682 -0.890 5.338 142 HB THR 23 HB THR 23 -9.970 -0.057 7.215 143 HG1 THR 23 HG1 THR 23 -7.528 1.179 8.021 144 HG21 THR 23 3HG2 THR 23 -7.835 -0.990 8.895 145 HG22 THR 23 1HG2 THR 23 -7.880 -1.928 7.403 146 HG23 THR 23 2HG2 THR 23 -9.318 -1.815 8.419 147 H ASP 24 H ASP 24 -7.867 2.362 6.566 148 HA ASP 24 HA ASP 24 -9.627 3.530 4.553 149 HB2 ASP 24 1HB ASP 24 -8.772 5.677 5.896 150 HB3 ASP 24 2HB ASP 24 -10.086 4.662 6.485 151 H ARG 25 H ARG 25 -8.922 4.501 2.762 152 HA ARG 25 HA ARG 25 -6.400 4.246 1.736 153 HB2 ARG 25 1HB ARG 25 -8.235 4.890 0.323 154 HB3 ARG 25 2HB ARG 25 -8.448 6.398 1.202 155 HG2 ARG 25 1HG ARG 25 -7.361 6.737 -0.960 156 HG3 ARG 25 2HG ARG 25 -6.318 7.211 0.382 157 HD2 ARG 25 1HD ARG 25 -4.958 5.319 0.139 158 HD3 ARG 25 2HD ARG 25 -6.157 4.476 -0.840 159 HE ARG 25 HE ARG 25 -4.137 6.229 -1.777 160 HH11 ARG 25 1HH1 ARG 25 -7.440 5.281 -2.338 161 HH12 ARG 25 2HH1 ARG 25 -7.411 5.698 -4.020 162 HH21 ARG 25 1HH2 ARG 25 -4.086 6.781 -3.990 163 HH22 ARG 25 2HH2 ARG 25 -5.502 6.550 -4.958 164 H SER 26 H SER 26 -7.638 6.826 3.784 165 HA SER 26 HA SER 26 -5.597 8.687 3.531 166 HB2 SER 26 1HB SER 26 -7.465 7.984 5.774 167 HB3 SER 26 2HB SER 26 -6.207 9.194 6.020 168 HG SER 26 HG SER 26 -7.207 9.965 3.836 169 H ASN 27 H ASN 27 -5.825 5.924 5.751 170 HA ASN 27 HA ASN 27 -3.386 6.380 7.082 171 HB2 ASN 27 1HB ASN 27 -5.108 3.940 6.703 172 HB3 ASN 27 2HB ASN 27 -3.579 3.851 7.573 173 HD21 ASN 27 1HD2 ASN 27 -6.391 6.019 7.451 174 HD22 ASN 27 2HD2 ASN 27 -6.591 6.130 9.164 175 H LEU 28 H LEU 28 -4.084 5.174 3.957 176 HA LEU 28 HA LEU 28 -1.607 3.717 3.654 177 HB2 LEU 28 1HB LEU 28 -3.602 2.982 2.476 178 HB3 LEU 28 2HB LEU 28 -3.701 4.531 1.643 179 HG LEU 28 HG LEU 28 -1.536 4.000 0.531 180 HD11 LEU 28 1HD1 LEU 28 -1.813 1.138 1.167 181 HD12 LEU 28 2HD1 LEU 28 -1.184 2.158 2.461 182 HD13 LEU 28 3HD1 LEU 28 -0.367 2.111 0.899 183 HD21 LEU 28 3HD2 LEU 28 -3.248 1.709 -0.170 184 HD22 LEU 28 1HD2 LEU 28 -2.620 3.012 -1.179 185 HD23 LEU 28 2HD2 LEU 28 -4.041 3.285 -0.169 186 H ILE 29 H ILE 29 -2.941 6.830 2.655 187 HA ILE 29 HA ILE 29 -0.797 7.613 0.997 188 HB ILE 29 HB ILE 29 -2.663 9.395 2.567 189 HG12 ILE 29 1HG1 ILE 29 -2.957 8.578 -0.318 190 HG13 ILE 29 2HG1 ILE 29 -3.687 7.648 0.986 191 HG21 ILE 29 1HG2 ILE 29 -2.131 11.088 0.916 192 HG22 ILE 29 2HG2 ILE 29 -0.658 10.527 1.706 193 HG23 ILE 29 3HG2 ILE 29 -1.055 9.967 0.081 194 HD11 ILE 29 3HD1 ILE 29 -5.144 9.355 -0.192 195 HD12 ILE 29 1HD1 ILE 29 -5.125 9.396 1.571 196 HD13 ILE 29 2HD1 ILE 29 -4.197 10.581 0.651 197 H LYS 30 H LYS 30 -1.276 7.707 4.447 198 HA LYS 30 HA LYS 30 0.869 9.530 4.986 199 HB2 LYS 30 1HB LYS 30 0.522 8.926 7.328 200 HB3 LYS 30 2HB LYS 30 -1.012 9.272 6.540 201 HG2 LYS 30 1HG LYS 30 -1.590 6.983 6.447 202 HG3 LYS 30 2HG LYS 30 0.045 6.481 6.884 203 HD2 LYS 30 1HD LYS 30 -1.682 6.355 8.726 204 HD3 LYS 30 2HD LYS 30 -0.212 7.256 9.107 205 HE2 LYS 30 1HE LYS 30 -2.071 8.515 9.918 206 HE3 LYS 30 2HE LYS 30 -1.433 9.349 8.502 207 HZ1 LYS 30 3HZ LYS 30 -3.197 8.285 7.181 208 HZ2 LYS 30 1HZ LYS 30 -3.813 9.292 8.393 209 HZ3 LYS 30 2HZ LYS 30 -3.840 7.613 8.594 210 H HIS 31 H HIS 31 0.536 6.072 4.659 211 HA HIS 31 HA HIS 31 3.097 5.456 5.805 212 HB2 HIS 31 1HB HIS 31 1.641 3.662 5.991 213 HB3 HIS 31 2HB HIS 31 0.971 3.904 4.381 214 HD1 HIS 31 HD1 HIS 31 3.873 2.340 6.163 215 HD2 HIS 31 HD2 HIS 31 2.315 2.598 2.321 216 HE1 HIS 31 HE1 HIS 31 5.138 0.640 4.809 217 H GLN 32 H GLN 32 1.785 5.781 2.536 218 HA GLN 32 HA GLN 32 3.961 4.903 1.064 219 HB2 GLN 32 1HB GLN 32 1.991 7.106 0.441 220 HB3 GLN 32 2HB GLN 32 3.123 6.439 -0.728 221 HG2 GLN 32 1HG GLN 32 1.301 4.587 0.718 222 HG3 GLN 32 2HG GLN 32 0.651 5.584 -0.582 223 HE21 GLN 32 1HE2 GLN 32 0.245 3.486 -1.578 224 HE22 GLN 32 2HE2 GLN 32 1.511 2.733 -2.481 225 H LYS 33 H LYS 33 3.683 7.672 3.041 226 HA LYS 33 HA LYS 33 5.514 9.401 1.775 227 HB2 LYS 33 1HB LYS 33 4.408 9.138 4.536 228 HB3 LYS 33 2HB LYS 33 5.805 10.177 4.290 229 HG2 LYS 33 1HG LYS 33 4.632 11.642 2.918 230 HG3 LYS 33 2HG LYS 33 3.358 10.465 2.591 231 HD2 LYS 33 1HD LYS 33 2.831 10.607 5.088 232 HD3 LYS 33 2HD LYS 33 3.848 12.049 5.098 233 HE2 LYS 33 1HE LYS 33 1.510 11.677 3.236 234 HE3 LYS 33 2HE LYS 33 1.381 12.459 4.811 235 HZ1 LYS 33 3HZ LYS 33 2.852 13.372 2.420 236 HZ2 LYS 33 1HZ LYS 33 3.245 13.955 3.959 237 HZ3 LYS 33 2HZ LYS 33 1.694 14.203 3.332 238 H ILE 34 H ILE 34 5.931 6.628 3.844 239 HA ILE 34 HA ILE 34 8.582 7.070 4.663 240 HB ILE 34 HB ILE 34 8.650 4.832 5.349 241 HG12 ILE 34 1HG1 ILE 34 6.485 4.248 3.317 242 HG13 ILE 34 2HG1 ILE 34 8.182 3.803 3.173 243 HG21 ILE 34 1HG2 ILE 34 5.781 4.747 5.576 244 HG22 ILE 34 2HG2 ILE 34 6.997 5.034 6.820 245 HG23 ILE 34 3HG2 ILE 34 6.384 6.380 5.859 246 HD11 ILE 34 3HD1 ILE 34 6.463 2.842 5.433 247 HD12 ILE 34 1HD1 ILE 34 6.572 1.991 3.893 248 HD13 ILE 34 2HD1 ILE 34 8.015 2.209 4.884 249 H HIS 35 H HIS 35 7.254 6.133 1.631 250 HA HIS 35 HA HIS 35 9.818 5.131 0.651 251 HB2 HIS 35 1HB HIS 35 7.210 5.361 -0.857 252 HB3 HIS 35 2HB HIS 35 8.627 4.422 -1.317 253 HD1 HIS 35 HD1 HIS 35 9.242 2.697 0.965 254 HD2 HIS 35 HD2 HIS 35 5.317 3.646 -0.010 255 HE1 HIS 35 HE1 HIS 35 7.837 0.886 1.998 256 H THR 36 H THR 36 8.071 8.017 0.819 257 HA THR 36 HA THR 36 9.244 9.160 -1.591 258 HB THR 36 HB THR 36 7.931 11.131 -1.140 259 HG1 THR 36 HG1 THR 36 8.205 11.050 1.191 260 HG21 THR 36 3HG2 THR 36 6.200 8.753 -0.473 261 HG22 THR 36 1HG2 THR 36 6.805 9.094 -2.093 262 HG23 THR 36 2HG2 THR 36 5.722 10.236 -1.298 263 H GLY 37 H GLY 37 11.140 8.354 0.304 264 HA2 GLY 37 1HA GLY 37 12.154 10.971 1.234 265 HA3 GLY 37 2HA GLY 37 12.377 9.490 2.154 266 H GLU 38 H GLU 38 13.988 8.066 1.592 267 HA GLU 38 HA GLU 38 16.159 9.155 0.091 268 HB2 GLU 38 1HB GLU 38 17.400 7.270 0.786 269 HB3 GLU 38 2HB GLU 38 16.326 7.641 2.128 270 HG2 GLU 38 1HG GLU 38 14.769 5.886 1.221 271 HG3 GLU 38 2HG GLU 38 16.064 5.426 0.117 272 H LYS 39 H LYS 39 16.925 8.608 -1.902 273 HA LYS 39 HA LYS 39 15.077 7.558 -3.788 274 HB2 LYS 39 1HB LYS 39 17.962 8.392 -3.929 275 HB3 LYS 39 2HB LYS 39 17.172 7.638 -5.308 276 HG2 LYS 39 1HG LYS 39 16.907 9.879 -5.756 277 HG3 LYS 39 2HG LYS 39 15.378 9.478 -4.969 278 HD2 LYS 39 1HD LYS 39 15.906 10.627 -3.055 279 HD3 LYS 39 2HD LYS 39 17.644 10.412 -3.277 280 HE2 LYS 39 1HE LYS 39 15.939 12.178 -5.024 281 HE3 LYS 39 2HE LYS 39 16.802 12.756 -3.600 282 HZ1 LYS 39 3HZ LYS 39 17.826 12.017 -6.213 283 HZ2 LYS 39 1HZ LYS 39 18.762 11.513 -4.897 284 HZ3 LYS 39 2HZ LYS 39 18.407 13.153 -5.102 285 HA PRO 40 HA PRO 40 15.951 3.250 -3.553 286 HB2 PRO 40 1HB PRO 40 15.174 2.513 -6.047 287 HB3 PRO 40 2HB PRO 40 14.028 2.946 -4.773 288 HG2 PRO 40 1HG PRO 40 15.050 4.606 -7.044 289 HG3 PRO 40 2HG PRO 40 13.397 4.464 -6.417 290 HD2 PRO 40 1HD PRO 40 15.016 6.546 -5.801 291 HD3 PRO 40 2HD PRO 40 13.801 5.914 -4.671 292 H SER 41 H SER 41 17.579 5.388 -5.630 293 HA SER 41 HA SER 41 19.071 3.992 -7.374 294 HB2 SER 41 1HB SER 41 19.847 6.215 -5.510 295 HB3 SER 41 2HB SER 41 21.050 5.505 -6.588 296 HG SER 41 HG SER 41 20.237 6.740 -8.067 297 H GLY 42 H GLY 42 20.144 4.433 -3.993 298 HA2 GLY 42 1HA GLY 42 20.875 2.613 -2.621 299 HA3 GLY 42 2HA GLY 42 21.257 1.712 -4.081 300 HA PRO 43 HA PRO 43 25.249 3.288 -2.414 301 HB2 PRO 43 1HB PRO 43 26.631 1.023 -2.987 302 HB3 PRO 43 2HB PRO 43 25.705 1.232 -1.496 303 HG2 PRO 43 1HG PRO 43 24.947 -0.204 -4.011 304 HG3 PRO 43 2HG PRO 43 24.709 -0.699 -2.325 305 HD2 PRO 43 1HD PRO 43 22.726 0.380 -3.820 306 HD3 PRO 43 2HD PRO 43 22.844 0.630 -2.066 307 H SER 44 H SER 44 26.892 4.183 -3.576 308 HA SER 44 HA SER 44 26.700 3.964 -6.486 309 HB2 SER 44 1HB SER 44 28.007 5.978 -4.656 310 HB3 SER 44 2HB SER 44 28.279 5.971 -6.399 311 HG SER 44 HG SER 44 26.517 7.346 -5.563 312 H SER 45 H SER 45 27.780 1.724 -5.331 313 HA SER 45 HA SER 45 30.673 1.979 -5.817 314 HB2 SER 45 1HB SER 45 29.062 0.062 -4.146 315 HB3 SER 45 2HB SER 45 30.703 -0.333 -4.658 316 HG SER 45 HG SER 45 31.484 1.333 -3.479 317 H GLY 46 H GLY 46 30.222 1.947 -8.131 318 HA2 GLY 46 1HA GLY 46 28.978 -0.248 -9.410 319 HA3 GLY 46 2HA GLY 46 30.070 0.900 -10.170 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.014 -22.557 15.443 2 HA2 GLY 1 1HA GLY 1 5.096 -25.237 14.205 3 HA3 GLY 1 2HA GLY 1 3.655 -24.645 15.017 4 H SER 2 H SER 2 2.233 -24.514 13.369 5 HA SER 2 HA SER 2 2.989 -22.803 11.091 6 HB2 SER 2 1HB SER 2 1.063 -25.141 11.107 7 HB3 SER 2 2HB SER 2 1.389 -24.098 9.722 8 HG SER 2 HG SER 2 3.578 -25.288 10.964 9 H SER 3 H SER 3 2.013 -20.903 11.208 10 HA SER 3 HA SER 3 -0.809 -20.812 12.025 11 HB2 SER 3 1HB SER 3 -0.472 -18.910 13.414 12 HB3 SER 3 2HB SER 3 0.780 -20.064 13.872 13 HG SER 3 HG SER 3 2.275 -18.878 12.750 14 H GLY 4 H GLY 4 -2.085 -19.333 10.952 15 HA2 GLY 4 1HA GLY 4 -1.029 -18.391 8.428 16 HA3 GLY 4 2HA GLY 4 -2.702 -18.307 8.959 17 H SER 5 H SER 5 0.097 -16.556 8.384 18 HA SER 5 HA SER 5 -1.034 -14.225 9.783 19 HB2 SER 5 1HB SER 5 1.254 -13.436 10.248 20 HB3 SER 5 2HB SER 5 0.948 -14.997 11.008 21 HG SER 5 HG SER 5 2.396 -15.894 9.759 22 H SER 6 H SER 6 -0.812 -12.230 8.751 23 HA SER 6 HA SER 6 -0.932 -10.876 6.917 24 HB2 SER 6 1HB SER 6 1.519 -10.955 7.307 25 HB3 SER 6 2HB SER 6 1.633 -12.311 6.185 26 HG SER 6 HG SER 6 1.802 -9.817 5.558 27 H GLY 7 H GLY 7 -2.495 -13.168 6.654 28 HA2 GLY 7 1HA GLY 7 -2.437 -13.484 3.733 29 HA3 GLY 7 2HA GLY 7 -2.512 -14.922 4.739 30 H THR 8 H THR 8 -4.359 -15.041 6.273 31 HA THR 8 HA THR 8 -6.794 -14.724 4.907 32 HB THR 8 HB THR 8 -7.889 -15.442 6.953 33 HG1 THR 8 HG1 THR 8 -5.383 -14.798 8.124 34 HG21 THR 8 3HG2 THR 8 -5.274 -16.926 6.786 35 HG22 THR 8 1HG2 THR 8 -6.527 -17.062 5.553 36 HG23 THR 8 2HG2 THR 8 -6.862 -17.562 7.211 37 H GLY 9 H GLY 9 -8.039 -12.994 4.637 38 HA2 GLY 9 1HA GLY 9 -9.238 -11.091 5.259 39 HA3 GLY 9 2HA GLY 9 -8.326 -11.036 6.760 40 H GLU 10 H GLU 10 -8.531 -9.947 3.492 41 HA GLU 10 HA GLU 10 -6.039 -8.417 3.813 42 HB2 GLU 10 1HB GLU 10 -7.478 -9.529 1.459 43 HB3 GLU 10 2HB GLU 10 -6.621 -8.010 1.237 44 HG2 GLU 10 1HG GLU 10 -5.475 -10.650 2.101 45 HG3 GLU 10 2HG GLU 10 -5.167 -9.778 0.600 46 H ARG 11 H ARG 11 -6.214 -6.279 2.404 47 HA ARG 11 HA ARG 11 -8.678 -4.907 3.262 48 HB2 ARG 11 1HB ARG 11 -5.811 -4.131 3.434 49 HB3 ARG 11 2HB ARG 11 -6.974 -2.858 3.090 50 HG2 ARG 11 1HG ARG 11 -6.724 -2.842 5.413 51 HG3 ARG 11 2HG ARG 11 -8.248 -3.685 5.128 52 HD2 ARG 11 1HD ARG 11 -6.936 -5.839 5.252 53 HD3 ARG 11 2HD ARG 11 -5.575 -4.877 5.829 54 HE ARG 11 HE ARG 11 -7.974 -5.563 7.291 55 HH11 ARG 11 1HH1 ARG 11 -5.194 -3.478 7.075 56 HH12 ARG 11 2HH1 ARG 11 -5.216 -3.057 8.755 57 HH21 ARG 11 1HH2 ARG 11 -8.014 -5.016 9.505 58 HH22 ARG 11 2HH2 ARG 11 -6.821 -3.933 10.137 59 HA PRO 12 HA PRO 12 -9.422 -3.568 -0.848 60 HB2 PRO 12 1HB PRO 12 -10.289 -1.020 -0.493 61 HB3 PRO 12 2HB PRO 12 -11.254 -2.433 -0.050 62 HG2 PRO 12 1HG PRO 12 -9.568 -0.670 1.686 63 HG3 PRO 12 2HG PRO 12 -11.183 -1.332 1.997 64 HD2 PRO 12 1HD PRO 12 -8.937 -2.413 3.054 65 HD3 PRO 12 2HD PRO 12 -10.357 -3.389 2.626 66 H TYR 13 H TYR 13 -7.561 -1.250 1.093 67 HA TYR 13 HA TYR 13 -6.238 -0.294 -1.344 68 HB2 TYR 13 1HB TYR 13 -5.900 0.862 1.417 69 HB3 TYR 13 2HB TYR 13 -5.592 1.634 -0.134 70 HD1 TYR 13 HD1 TYR 13 -7.540 2.267 -1.589 71 HD2 TYR 13 HD2 TYR 13 -8.034 0.966 2.432 72 HE1 TYR 13 HE1 TYR 13 -9.799 3.239 -1.559 73 HE2 TYR 13 HE2 TYR 13 -10.295 1.934 2.473 74 HH TYR 13 HH TYR 13 -11.414 4.062 0.877 75 H ILE 14 H ILE 14 -4.194 -0.807 -1.805 76 HA ILE 14 HA ILE 14 -2.522 -1.972 0.318 77 HB ILE 14 HB ILE 14 -2.786 -2.992 -2.512 78 HG12 ILE 14 1HG1 ILE 14 -3.362 -5.131 -1.231 79 HG13 ILE 14 2HG1 ILE 14 -3.546 -4.104 0.187 80 HG21 ILE 14 1HG2 ILE 14 -1.057 -4.553 -2.040 81 HG22 ILE 14 2HG2 ILE 14 -0.445 -2.959 -1.603 82 HG23 ILE 14 3HG2 ILE 14 -0.994 -4.068 -0.346 83 HD11 ILE 14 3HD1 ILE 14 -5.506 -4.738 -1.621 84 HD12 ILE 14 1HD1 ILE 14 -5.555 -3.413 -0.459 85 HD13 ILE 14 2HD1 ILE 14 -5.017 -3.117 -2.112 86 H CYS 15 H CYS 15 -0.384 -1.418 0.304 87 HA CYS 15 HA CYS 15 0.337 0.905 -1.229 88 HB2 CYS 15 1HB CYS 15 0.992 0.478 1.182 89 HB3 CYS 15 2HB CYS 15 2.134 -0.718 0.576 90 H THR 16 H THR 16 0.990 0.749 -3.265 91 HA THR 16 HA THR 16 2.178 -1.683 -4.283 92 HB THR 16 HB THR 16 0.575 -0.466 -5.676 93 HG1 THR 16 HG1 THR 16 3.013 -0.102 -7.021 94 HG21 THR 16 3HG2 THR 16 2.634 1.718 -5.932 95 HG22 THR 16 1HG2 THR 16 1.272 1.812 -4.816 96 HG23 THR 16 2HG2 THR 16 0.983 1.702 -6.552 97 H VAL 17 H VAL 17 3.743 -0.402 -2.297 98 HA VAL 17 HA VAL 17 6.110 0.318 -3.897 99 HB VAL 17 HB VAL 17 5.264 1.542 -1.268 100 HG11 VAL 17 1HG1 VAL 17 7.352 2.989 -1.776 101 HG12 VAL 17 2HG1 VAL 17 7.567 1.399 -1.042 102 HG13 VAL 17 3HG1 VAL 17 7.852 1.620 -2.769 103 HG21 VAL 17 3HG2 VAL 17 5.870 3.099 -3.735 104 HG22 VAL 17 1HG2 VAL 17 4.316 2.274 -3.610 105 HG23 VAL 17 2HG2 VAL 17 4.776 3.475 -2.404 106 H CYS 18 H CYS 18 4.949 -0.911 -0.774 107 HA CYS 18 HA CYS 18 7.435 -2.480 -0.562 108 HB2 CYS 18 1HB CYS 18 7.012 -2.498 1.897 109 HB3 CYS 18 2HB CYS 18 7.314 -0.889 1.247 110 H GLY 19 H GLY 19 3.933 -2.494 -0.152 111 HA2 GLY 19 1HA GLY 19 2.761 -4.494 -0.950 112 HA3 GLY 19 2HA GLY 19 4.037 -5.446 -0.207 113 H LYS 20 H LYS 20 2.415 -2.654 1.211 114 HA LYS 20 HA LYS 20 1.510 -4.394 3.397 115 HB2 LYS 20 1HB LYS 20 3.001 -2.467 3.946 116 HB3 LYS 20 2HB LYS 20 1.747 -1.381 3.364 117 HG2 LYS 20 1HG LYS 20 0.264 -2.033 5.108 118 HG3 LYS 20 2HG LYS 20 1.335 -3.345 5.604 119 HD2 LYS 20 1HD LYS 20 2.359 -0.541 5.598 120 HD3 LYS 20 2HD LYS 20 1.315 -1.078 6.916 121 HE2 LYS 20 1HE LYS 20 3.366 -1.613 7.779 122 HE3 LYS 20 2HE LYS 20 2.974 -3.120 6.952 123 HZ1 LYS 20 3HZ LYS 20 4.775 -2.886 5.712 124 HZ2 LYS 20 1HZ LYS 20 5.183 -1.474 6.550 125 HZ3 LYS 20 2HZ LYS 20 4.245 -1.383 5.145 126 H ALA 21 H ALA 21 -0.572 -3.713 4.454 127 HA ALA 21 HA ALA 21 -2.518 -2.790 2.443 128 HB1 ALA 21 3HB ALA 21 -2.360 -5.356 3.425 129 HB2 ALA 21 1HB ALA 21 -3.621 -4.622 4.416 130 HB3 ALA 21 2HB ALA 21 -3.770 -4.624 2.658 131 H PHE 22 H PHE 22 -4.244 -1.552 3.181 132 HA PHE 22 HA PHE 22 -4.290 -0.840 6.020 133 HB2 PHE 22 1HB PHE 22 -4.046 1.132 3.741 134 HB3 PHE 22 2HB PHE 22 -4.485 1.582 5.386 135 HD1 PHE 22 HD2 PHE 22 -1.801 0.053 3.346 136 HD2 PHE 22 HD1 PHE 22 -2.847 1.942 7.013 137 HE1 PHE 22 HE2 PHE 22 0.583 0.236 3.927 138 HE2 PHE 22 HE1 PHE 22 -0.464 2.129 7.600 139 HZ PHE 22 HZ PHE 22 1.254 1.274 6.057 140 H THR 23 H THR 23 -6.291 -0.440 6.817 141 HA THR 23 HA THR 23 -8.549 -1.296 5.384 142 HB THR 23 HB THR 23 -9.877 -0.388 7.271 143 HG1 THR 23 HG1 THR 23 -8.667 1.450 7.781 144 HG21 THR 23 3HG2 THR 23 -9.367 -2.283 8.322 145 HG22 THR 23 1HG2 THR 23 -7.860 -1.582 8.908 146 HG23 THR 23 2HG2 THR 23 -7.901 -2.408 7.351 147 H ASP 24 H ASP 24 -7.440 1.969 6.236 148 HA ASP 24 HA ASP 24 -9.380 3.045 4.296 149 HB2 ASP 24 1HB ASP 24 -8.186 4.319 6.764 150 HB3 ASP 24 2HB ASP 24 -9.138 5.199 5.572 151 H ARG 25 H ARG 25 -8.640 4.151 2.588 152 HA ARG 25 HA ARG 25 -6.036 4.028 1.718 153 HB2 ARG 25 1HB ARG 25 -7.982 4.604 0.297 154 HB3 ARG 25 2HB ARG 25 -8.032 6.196 1.043 155 HG2 ARG 25 1HG ARG 25 -5.749 6.621 0.184 156 HG3 ARG 25 2HG ARG 25 -5.817 5.069 -0.653 157 HD2 ARG 25 1HD ARG 25 -7.844 5.869 -1.848 158 HD3 ARG 25 2HD ARG 25 -7.622 7.444 -1.087 159 HE ARG 25 HE ARG 25 -5.245 7.032 -2.279 160 HH11 ARG 25 1HH1 ARG 25 -8.524 6.802 -3.424 161 HH12 ARG 25 2HH1 ARG 25 -8.124 7.235 -5.054 162 HH21 ARG 25 1HH2 ARG 25 -4.705 7.603 -4.420 163 HH22 ARG 25 2HH2 ARG 25 -5.951 7.690 -5.619 164 H SER 26 H SER 26 -7.618 6.726 3.404 165 HA SER 26 HA SER 26 -5.831 8.706 3.399 166 HB2 SER 26 1HB SER 26 -6.381 9.102 5.848 167 HB3 SER 26 2HB SER 26 -7.768 8.938 4.771 168 HG SER 26 HG SER 26 -7.521 7.648 6.914 169 H ASN 27 H ASN 27 -5.587 6.095 5.822 170 HA ASN 27 HA ASN 27 -3.099 6.775 6.835 171 HB2 ASN 27 1HB ASN 27 -4.711 4.275 6.736 172 HB3 ASN 27 2HB ASN 27 -3.013 4.122 7.177 173 HD21 ASN 27 1HD2 ASN 27 -2.384 6.050 8.751 174 HD22 ASN 27 2HD2 ASN 27 -3.420 6.175 10.129 175 H LEU 28 H LEU 28 -3.867 4.522 4.193 176 HA LEU 28 HA LEU 28 -1.337 3.614 3.592 177 HB2 LEU 28 1HB LEU 28 -3.296 2.719 2.520 178 HB3 LEU 28 2HB LEU 28 -3.617 4.262 1.731 179 HG LEU 28 HG LEU 28 -1.600 3.982 0.369 180 HD11 LEU 28 1HD1 LEU 28 -0.254 2.046 0.432 181 HD12 LEU 28 2HD1 LEU 28 -1.366 1.214 1.518 182 HD13 LEU 28 3HD1 LEU 28 -0.416 2.578 2.105 183 HD21 LEU 28 3HD2 LEU 28 -3.512 1.651 0.311 184 HD22 LEU 28 1HD2 LEU 28 -2.398 2.076 -0.989 185 HD23 LEU 28 2HD2 LEU 28 -3.689 3.188 -0.535 186 H ILE 29 H ILE 29 -2.908 6.594 2.493 187 HA ILE 29 HA ILE 29 -0.915 7.467 0.736 188 HB ILE 29 HB ILE 29 -2.709 9.200 2.439 189 HG12 ILE 29 1HG1 ILE 29 -3.245 8.388 -0.405 190 HG13 ILE 29 2HG1 ILE 29 -3.757 7.364 0.932 191 HG21 ILE 29 1HG2 ILE 29 -0.942 10.495 1.467 192 HG22 ILE 29 2HG2 ILE 29 -1.197 9.746 -0.108 193 HG23 ILE 29 3HG2 ILE 29 -2.424 10.816 0.568 194 HD11 ILE 29 3HD1 ILE 29 -4.754 9.715 1.748 195 HD12 ILE 29 1HD1 ILE 29 -4.821 9.943 0.001 196 HD13 ILE 29 2HD1 ILE 29 -5.642 8.570 0.743 197 H LYS 30 H LYS 30 -1.366 8.152 4.195 198 HA LYS 30 HA LYS 30 0.920 9.801 4.451 199 HB2 LYS 30 1HB LYS 30 -0.743 10.005 6.125 200 HB3 LYS 30 2HB LYS 30 -0.753 8.274 6.437 201 HG2 LYS 30 1HG LYS 30 1.563 8.485 7.321 202 HG3 LYS 30 2HG LYS 30 1.417 10.235 7.144 203 HD2 LYS 30 1HD LYS 30 -0.451 8.531 8.787 204 HD3 LYS 30 2HD LYS 30 0.938 9.400 9.444 205 HE2 LYS 30 1HE LYS 30 -1.360 10.680 7.967 206 HE3 LYS 30 2HE LYS 30 -1.206 10.613 9.722 207 HZ1 LYS 30 3HZ LYS 30 1.101 11.681 8.349 208 HZ2 LYS 30 1HZ LYS 30 0.302 12.248 9.728 209 HZ3 LYS 30 2HZ LYS 30 -0.298 12.619 8.191 210 H HIS 31 H HIS 31 0.399 6.342 4.733 211 HA HIS 31 HA HIS 31 2.890 5.700 5.913 212 HB2 HIS 31 1HB HIS 31 1.405 3.952 6.111 213 HB3 HIS 31 2HB HIS 31 0.753 4.181 4.491 214 HD1 HIS 31 HD1 HIS 31 3.634 2.590 6.306 215 HD2 HIS 31 HD2 HIS 31 1.984 2.705 2.495 216 HE1 HIS 31 HE1 HIS 31 4.810 0.785 5.009 217 H GLN 32 H GLN 32 1.791 5.842 2.548 218 HA GLN 32 HA GLN 32 4.007 4.811 1.267 219 HB2 GLN 32 1HB GLN 32 2.049 6.952 0.478 220 HB3 GLN 32 2HB GLN 32 3.361 6.481 -0.595 221 HG2 GLN 32 1HG GLN 32 2.435 4.071 -0.171 222 HG3 GLN 32 2HG GLN 32 0.964 4.941 0.261 223 HE21 GLN 32 1HE2 GLN 32 -0.289 4.404 -1.439 224 HE22 GLN 32 2HE2 GLN 32 0.059 4.824 -3.078 225 H LYS 33 H LYS 33 3.706 7.757 3.008 226 HA LYS 33 HA LYS 33 5.704 9.306 1.797 227 HB2 LYS 33 1HB LYS 33 4.850 9.230 4.698 228 HB3 LYS 33 2HB LYS 33 5.814 10.502 3.959 229 HG2 LYS 33 1HG LYS 33 3.089 9.793 2.930 230 HG3 LYS 33 2HG LYS 33 3.321 10.926 4.264 231 HD2 LYS 33 1HD LYS 33 5.039 12.017 2.584 232 HD3 LYS 33 2HD LYS 33 4.035 11.199 1.384 233 HE2 LYS 33 1HE LYS 33 2.047 12.289 2.536 234 HE3 LYS 33 2HE LYS 33 3.221 13.291 3.386 235 HZ1 LYS 33 3HZ LYS 33 3.537 13.164 0.506 236 HZ2 LYS 33 1HZ LYS 33 3.657 14.488 1.553 237 HZ3 LYS 33 2HZ LYS 33 2.137 13.946 1.045 238 H ILE 34 H ILE 34 5.881 6.621 4.008 239 HA ILE 34 HA ILE 34 8.523 7.001 4.924 240 HB ILE 34 HB ILE 34 8.434 4.833 5.794 241 HG12 ILE 34 1HG1 ILE 34 6.303 4.168 3.752 242 HG13 ILE 34 2HG1 ILE 34 7.992 3.683 3.651 243 HG21 ILE 34 1HG2 ILE 34 6.138 6.489 5.969 244 HG22 ILE 34 2HG2 ILE 34 5.602 4.810 5.978 245 HG23 ILE 34 3HG2 ILE 34 6.778 5.367 7.169 246 HD11 ILE 34 3HD1 ILE 34 6.654 1.847 4.433 247 HD12 ILE 34 1HD1 ILE 34 7.713 2.398 5.731 248 HD13 ILE 34 2HD1 ILE 34 6.003 2.833 5.741 249 H HIS 35 H HIS 35 7.422 6.394 1.848 250 HA HIS 35 HA HIS 35 9.882 4.982 1.069 251 HB2 HIS 35 1HB HIS 35 7.333 5.331 -0.522 252 HB3 HIS 35 2HB HIS 35 8.724 4.353 -0.979 253 HD1 HIS 35 HD1 HIS 35 9.267 2.608 1.318 254 HD2 HIS 35 HD2 HIS 35 5.384 3.653 0.274 255 HE1 HIS 35 HE1 HIS 35 7.800 0.829 2.320 256 H THR 36 H THR 36 8.135 7.940 0.797 257 HA THR 36 HA THR 36 9.250 8.974 -1.565 258 HB THR 36 HB THR 36 8.630 11.190 -0.710 259 HG1 THR 36 HG1 THR 36 9.035 11.177 1.433 260 HG21 THR 36 3HG2 THR 36 6.187 10.336 0.096 261 HG22 THR 36 1HG2 THR 36 6.795 8.887 -0.704 262 HG23 THR 36 2HG2 THR 36 6.701 10.410 -1.589 263 H GLY 37 H GLY 37 10.571 8.540 1.594 264 HA2 GLY 37 1HA GLY 37 13.090 9.717 0.663 265 HA3 GLY 37 2HA GLY 37 12.410 10.312 2.170 266 H GLU 38 H GLU 38 12.593 7.018 0.845 267 HA GLU 38 HA GLU 38 13.564 6.051 3.395 268 HB2 GLU 38 1HB GLU 38 13.396 3.817 2.335 269 HB3 GLU 38 2HB GLU 38 11.894 4.728 2.256 270 HG2 GLU 38 1HG GLU 38 12.355 3.553 0.172 271 HG3 GLU 38 2HG GLU 38 12.327 5.300 -0.056 272 H LYS 39 H LYS 39 15.474 4.741 3.614 273 HA LYS 39 HA LYS 39 17.722 5.877 2.232 274 HB2 LYS 39 1HB LYS 39 17.901 5.379 4.601 275 HB3 LYS 39 2HB LYS 39 17.541 3.683 4.304 276 HG2 LYS 39 1HG LYS 39 19.794 3.541 4.467 277 HG3 LYS 39 2HG LYS 39 19.673 3.894 2.741 278 HD2 LYS 39 1HD LYS 39 21.317 5.367 3.523 279 HD3 LYS 39 2HD LYS 39 19.859 6.356 3.421 280 HE2 LYS 39 1HE LYS 39 19.566 6.373 5.735 281 HE3 LYS 39 2HE LYS 39 20.606 4.969 5.971 282 HZ1 LYS 39 3HZ LYS 39 22.058 6.565 6.582 283 HZ2 LYS 39 1HZ LYS 39 21.316 7.775 5.661 284 HZ3 LYS 39 2HZ LYS 39 22.346 6.657 4.917 285 HA PRO 40 HA PRO 40 18.037 2.896 -1.002 286 HB2 PRO 40 1HB PRO 40 20.635 3.312 -1.671 287 HB3 PRO 40 2HB PRO 40 19.342 4.444 -2.088 288 HG2 PRO 40 1HG PRO 40 21.308 4.561 0.167 289 HG3 PRO 40 2HG PRO 40 20.756 5.861 -0.905 290 HD2 PRO 40 1HD PRO 40 19.789 5.531 1.603 291 HD3 PRO 40 2HD PRO 40 18.801 6.175 0.276 292 H SER 41 H SER 41 18.687 0.804 -1.284 293 HA SER 41 HA SER 41 20.401 -0.328 0.827 294 HB2 SER 41 1HB SER 41 18.147 -1.201 0.964 295 HB3 SER 41 2HB SER 41 18.158 -1.606 -0.753 296 HG SER 41 HG SER 41 18.861 -3.467 -0.077 297 H GLY 42 H GLY 42 22.262 0.249 -0.493 298 HA2 GLY 42 1HA GLY 42 23.987 -1.073 -1.567 299 HA3 GLY 42 2HA GLY 42 22.738 -1.782 -2.579 300 HA PRO 43 HA PRO 43 24.896 1.861 -4.690 301 HB2 PRO 43 1HB PRO 43 26.154 0.437 -6.629 302 HB3 PRO 43 2HB PRO 43 26.893 0.788 -5.062 303 HG2 PRO 43 1HG PRO 43 25.528 -1.707 -5.996 304 HG3 PRO 43 2HG PRO 43 27.025 -1.534 -5.062 305 HD2 PRO 43 1HD PRO 43 24.654 -2.155 -3.912 306 HD3 PRO 43 2HD PRO 43 25.898 -1.200 -3.080 307 H SER 44 H SER 44 23.750 -1.109 -6.308 308 HA SER 44 HA SER 44 22.556 -1.345 -8.267 309 HB2 SER 44 1HB SER 44 20.258 -0.334 -8.023 310 HB3 SER 44 2HB SER 44 20.789 -1.293 -6.642 311 HG SER 44 HG SER 44 21.265 0.609 -5.548 312 H SER 45 H SER 45 24.550 0.527 -8.690 313 HA SER 45 HA SER 45 23.205 2.626 -10.256 314 HB2 SER 45 1HB SER 45 26.019 2.534 -9.143 315 HB3 SER 45 2HB SER 45 25.391 3.822 -10.171 316 HG SER 45 HG SER 45 24.245 3.062 -7.689 317 H GLY 46 H GLY 46 23.176 2.359 -12.382 318 HA2 GLY 46 1HA GLY 46 25.306 0.715 -13.607 319 HA3 GLY 46 2HA GLY 46 23.637 0.698 -14.160 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -7.051 -22.214 -2.855 2 HA2 GLY 1 1HA GLY 1 -6.021 -23.010 -0.668 3 HA3 GLY 1 2HA GLY 1 -5.652 -21.347 -1.098 4 H SER 2 H SER 2 -6.087 -22.913 1.510 5 HA SER 2 HA SER 2 -8.248 -21.334 2.685 6 HB2 SER 2 1HB SER 2 -6.696 -23.747 3.586 7 HB3 SER 2 2HB SER 2 -7.621 -22.791 4.745 8 HG SER 2 HG SER 2 -9.039 -24.280 4.040 9 H SER 3 H SER 3 -7.740 -20.619 5.042 10 HA SER 3 HA SER 3 -5.110 -19.876 5.742 11 HB2 SER 3 1HB SER 3 -5.041 -17.562 5.227 12 HB3 SER 3 2HB SER 3 -5.576 -18.350 3.743 13 HG SER 3 HG SER 3 -6.804 -16.447 5.110 14 H GLY 4 H GLY 4 -5.045 -18.483 7.661 15 HA2 GLY 4 1HA GLY 4 -7.133 -17.403 9.051 16 HA3 GLY 4 2HA GLY 4 -7.220 -19.117 9.430 17 H SER 5 H SER 5 -5.237 -16.226 9.663 18 HA SER 5 HA SER 5 -4.101 -17.219 12.140 19 HB2 SER 5 1HB SER 5 -2.556 -18.039 10.350 20 HB3 SER 5 2HB SER 5 -2.274 -16.363 9.883 21 HG SER 5 HG SER 5 -1.926 -17.019 12.567 22 H SER 6 H SER 6 -3.269 -15.588 13.472 23 HA SER 6 HA SER 6 -4.408 -12.998 13.018 24 HB2 SER 6 1HB SER 6 -2.959 -14.346 15.241 25 HB3 SER 6 2HB SER 6 -2.938 -12.583 15.215 26 HG SER 6 HG SER 6 -5.389 -13.843 14.804 27 H GLY 7 H GLY 7 -3.498 -11.584 11.678 28 HA2 GLY 7 1HA GLY 7 -1.009 -10.420 12.097 29 HA3 GLY 7 2HA GLY 7 -0.777 -11.671 10.885 30 H THR 8 H THR 8 -1.658 -11.419 8.835 31 HA THR 8 HA THR 8 -1.998 -8.711 7.988 32 HB THR 8 HB THR 8 -0.896 -10.417 6.569 33 HG1 THR 8 HG1 THR 8 -2.181 -8.483 5.765 34 HG21 THR 8 3HG2 THR 8 -3.100 -11.978 7.190 35 HG22 THR 8 1HG2 THR 8 -1.860 -12.352 5.995 36 HG23 THR 8 2HG2 THR 8 -3.349 -11.547 5.499 37 H GLY 9 H GLY 9 -3.816 -7.583 7.647 38 HA2 GLY 9 1HA GLY 9 -6.369 -8.959 8.137 39 HA3 GLY 9 2HA GLY 9 -6.089 -7.232 8.310 40 H GLU 10 H GLU 10 -8.237 -8.412 6.872 41 HA GLU 10 HA GLU 10 -7.631 -8.298 4.063 42 HB2 GLU 10 1HB GLU 10 -10.312 -8.340 5.459 43 HB3 GLU 10 2HB GLU 10 -10.038 -8.611 3.744 44 HG2 GLU 10 1HG GLU 10 -8.644 -10.588 4.360 45 HG3 GLU 10 2HG GLU 10 -9.160 -10.355 6.029 46 H ARG 11 H ARG 11 -6.844 -6.268 3.594 47 HA ARG 11 HA ARG 11 -8.687 -4.015 4.047 48 HB2 ARG 11 1HB ARG 11 -5.691 -4.151 3.839 49 HB3 ARG 11 2HB ARG 11 -6.550 -2.644 3.551 50 HG2 ARG 11 1HG ARG 11 -5.778 -2.705 5.824 51 HG3 ARG 11 2HG ARG 11 -7.540 -2.814 5.804 52 HD2 ARG 11 1HD ARG 11 -7.436 -5.200 6.158 53 HD3 ARG 11 2HD ARG 11 -5.678 -5.173 6.040 54 HE ARG 11 HE ARG 11 -7.256 -4.537 8.335 55 HH11 ARG 11 1HH1 ARG 11 -4.259 -3.852 6.700 56 HH12 ARG 11 2HH1 ARG 11 -3.430 -3.373 8.144 57 HH21 ARG 11 1HH2 ARG 11 -6.175 -3.909 10.243 58 HH22 ARG 11 2HH2 ARG 11 -4.520 -3.407 10.158 59 HA PRO 12 HA PRO 12 -9.347 -3.740 -0.295 60 HB2 PRO 12 1HB PRO 12 -10.057 -1.125 -0.464 61 HB3 PRO 12 2HB PRO 12 -11.117 -2.366 0.213 62 HG2 PRO 12 1HG PRO 12 -9.357 -0.402 1.628 63 HG3 PRO 12 2HG PRO 12 -11.017 -0.895 2.010 64 HD2 PRO 12 1HD PRO 12 -8.865 -1.880 3.326 65 HD3 PRO 12 2HD PRO 12 -10.335 -2.836 3.049 66 H TYR 13 H TYR 13 -7.534 -1.013 1.119 67 HA TYR 13 HA TYR 13 -6.125 -0.574 -1.376 68 HB2 TYR 13 1HB TYR 13 -5.589 0.782 1.264 69 HB3 TYR 13 2HB TYR 13 -5.209 1.370 -0.351 70 HD1 TYR 13 HD1 TYR 13 -6.964 2.297 -1.783 71 HD2 TYR 13 HD2 TYR 13 -7.811 1.002 2.181 72 HE1 TYR 13 HE1 TYR 13 -9.099 3.516 -1.847 73 HE2 TYR 13 HE2 TYR 13 -9.949 2.217 2.127 74 HH TYR 13 HH TYR 13 -10.963 4.025 -0.759 75 H ILE 14 H ILE 14 -3.913 -0.827 -1.694 76 HA ILE 14 HA ILE 14 -2.303 -2.044 0.395 77 HB ILE 14 HB ILE 14 -2.885 -3.467 -2.203 78 HG12 ILE 14 1HG1 ILE 14 -3.280 -5.321 -0.337 79 HG13 ILE 14 2HG1 ILE 14 -3.593 -3.906 0.662 80 HG21 ILE 14 1HG2 ILE 14 -0.917 -4.484 -2.086 81 HG22 ILE 14 2HG2 ILE 14 -0.470 -3.394 -0.774 82 HG23 ILE 14 3HG2 ILE 14 -1.214 -4.951 -0.412 83 HD11 ILE 14 3HD1 ILE 14 -5.158 -5.047 -1.563 84 HD12 ILE 14 1HD1 ILE 14 -5.693 -4.269 -0.073 85 HD13 ILE 14 2HD1 ILE 14 -5.126 -3.289 -1.426 86 H CYS 15 H CYS 15 -0.329 -1.204 0.332 87 HA CYS 15 HA CYS 15 0.485 0.630 -1.636 88 HB2 CYS 15 1HB CYS 15 1.341 0.718 0.648 89 HB3 CYS 15 2HB CYS 15 2.133 -0.840 0.432 90 H THR 16 H THR 16 2.339 0.493 -3.059 91 HA THR 16 HA THR 16 2.689 -2.220 -4.155 92 HB THR 16 HB THR 16 3.243 -1.074 -6.315 93 HG1 THR 16 HG1 THR 16 3.060 1.072 -6.478 94 HG21 THR 16 3HG2 THR 16 0.500 -0.479 -5.198 95 HG22 THR 16 1HG2 THR 16 1.012 -2.017 -5.890 96 HG23 THR 16 2HG2 THR 16 0.927 -0.578 -6.906 97 H VAL 17 H VAL 17 4.272 0.614 -2.957 98 HA VAL 17 HA VAL 17 6.844 0.244 -4.015 99 HB VAL 17 HB VAL 17 6.094 1.439 -1.343 100 HG11 VAL 17 1HG1 VAL 17 8.288 2.768 -2.021 101 HG12 VAL 17 2HG1 VAL 17 8.354 1.251 -1.122 102 HG13 VAL 17 3HG1 VAL 17 8.637 1.258 -2.863 103 HG21 VAL 17 3HG2 VAL 17 6.786 3.344 -3.372 104 HG22 VAL 17 1HG2 VAL 17 5.477 2.308 -3.942 105 HG23 VAL 17 2HG2 VAL 17 5.299 3.205 -2.434 106 H CYS 18 H CYS 18 5.471 -0.828 -0.909 107 HA CYS 18 HA CYS 18 7.689 -2.757 -0.696 108 HB2 CYS 18 1HB CYS 18 7.309 -2.716 1.742 109 HB3 CYS 18 2HB CYS 18 7.728 -1.126 1.115 110 H GLY 19 H GLY 19 4.218 -2.268 -0.214 111 HA2 GLY 19 1HA GLY 19 2.674 -3.969 -0.957 112 HA3 GLY 19 2HA GLY 19 3.870 -5.180 -0.518 113 H LYS 20 H LYS 20 1.761 -2.685 0.866 114 HA LYS 20 HA LYS 20 1.477 -4.393 3.250 115 HB2 LYS 20 1HB LYS 20 2.019 -1.483 3.017 116 HB3 LYS 20 2HB LYS 20 0.887 -1.978 4.269 117 HG2 LYS 20 1HG LYS 20 2.703 -3.652 4.968 118 HG3 LYS 20 2HG LYS 20 3.785 -2.671 3.975 119 HD2 LYS 20 1HD LYS 20 3.984 -1.822 6.168 120 HD3 LYS 20 2HD LYS 20 2.959 -0.673 5.305 121 HE2 LYS 20 1HE LYS 20 0.972 -1.797 6.262 122 HE3 LYS 20 2HE LYS 20 2.044 -2.846 7.187 123 HZ1 LYS 20 3HZ LYS 20 2.996 -0.525 7.944 124 HZ2 LYS 20 1HZ LYS 20 1.670 -1.234 8.719 125 HZ3 LYS 20 2HZ LYS 20 1.427 -0.016 7.571 126 H ALA 21 H ALA 21 -0.552 -3.271 4.549 127 HA ALA 21 HA ALA 21 -2.741 -2.908 2.628 128 HB1 ALA 21 3HB ALA 21 -3.613 -4.509 4.861 129 HB2 ALA 21 1HB ALA 21 -3.762 -4.815 3.130 130 HB3 ALA 21 2HB ALA 21 -2.299 -5.299 3.989 131 H PHE 22 H PHE 22 -4.318 -1.516 3.269 132 HA PHE 22 HA PHE 22 -4.374 -0.609 6.046 133 HB2 PHE 22 1HB PHE 22 -4.181 1.332 3.736 134 HB3 PHE 22 2HB PHE 22 -4.244 1.731 5.449 135 HD1 PHE 22 HD2 PHE 22 -2.169 0.197 2.812 136 HD2 PHE 22 HD1 PHE 22 -2.297 1.735 6.779 137 HE1 PHE 22 HE2 PHE 22 0.288 0.134 2.912 138 HE2 PHE 22 HE1 PHE 22 0.161 1.675 6.885 139 HZ PHE 22 HZ PHE 22 1.457 0.872 4.950 140 H THR 23 H THR 23 -6.398 -0.480 6.748 141 HA THR 23 HA THR 23 -8.630 -1.163 5.290 142 HB THR 23 HB THR 23 -9.985 -0.144 7.090 143 HG1 THR 23 HG1 THR 23 -8.875 0.948 8.775 144 HG21 THR 23 3HG2 THR 23 -7.548 -1.675 8.001 145 HG22 THR 23 1HG2 THR 23 -9.085 -2.354 7.467 146 HG23 THR 23 2HG2 THR 23 -9.002 -1.436 8.970 147 H ASP 24 H ASP 24 -7.868 2.158 6.359 148 HA ASP 24 HA ASP 24 -9.626 3.199 4.273 149 HB2 ASP 24 1HB ASP 24 -9.477 3.975 6.796 150 HB3 ASP 24 2HB ASP 24 -8.161 4.971 6.182 151 H ARG 25 H ARG 25 -8.936 4.849 2.815 152 HA ARG 25 HA ARG 25 -6.425 4.330 1.624 153 HB2 ARG 25 1HB ARG 25 -8.366 5.099 0.336 154 HB3 ARG 25 2HB ARG 25 -8.325 6.640 1.182 155 HG2 ARG 25 1HG ARG 25 -5.978 6.917 0.254 156 HG3 ARG 25 2HG ARG 25 -6.355 5.553 -0.801 157 HD2 ARG 25 1HD ARG 25 -8.509 6.991 -1.307 158 HD3 ARG 25 2HD ARG 25 -7.467 8.314 -0.782 159 HE ARG 25 HE ARG 25 -5.988 6.893 -2.610 160 HH11 ARG 25 1HH1 ARG 25 -9.040 8.567 -2.600 161 HH12 ARG 25 2HH1 ARG 25 -8.959 8.995 -4.277 162 HH21 ARG 25 1HH2 ARG 25 -5.870 7.450 -4.819 163 HH22 ARG 25 2HH2 ARG 25 -7.156 8.358 -5.539 164 H SER 26 H SER 26 -7.628 6.998 3.619 165 HA SER 26 HA SER 26 -5.604 8.808 3.483 166 HB2 SER 26 1HB SER 26 -6.993 7.920 6.024 167 HB3 SER 26 2HB SER 26 -6.139 9.447 5.797 168 HG SER 26 HG SER 26 -8.173 8.782 3.998 169 H ASN 27 H ASN 27 -5.689 6.133 5.846 170 HA ASN 27 HA ASN 27 -3.217 6.456 6.985 171 HB2 ASN 27 1HB ASN 27 -4.728 3.920 6.346 172 HB3 ASN 27 2HB ASN 27 -3.253 3.936 7.308 173 HD21 ASN 27 1HD2 ASN 27 -6.544 4.015 7.433 174 HD22 ASN 27 2HD2 ASN 27 -6.752 4.669 9.019 175 H LEU 28 H LEU 28 -3.968 4.540 4.080 176 HA LEU 28 HA LEU 28 -1.423 3.608 3.513 177 HB2 LEU 28 1HB LEU 28 -3.281 2.766 2.298 178 HB3 LEU 28 2HB LEU 28 -3.695 4.370 1.696 179 HG LEU 28 HG LEU 28 -1.507 4.309 0.420 180 HD11 LEU 28 1HD1 LEU 28 -0.664 2.010 -0.057 181 HD12 LEU 28 2HD1 LEU 28 -1.651 1.427 1.283 182 HD13 LEU 28 3HD1 LEU 28 -0.348 2.577 1.583 183 HD21 LEU 28 3HD2 LEU 28 -2.685 2.251 -1.008 184 HD22 LEU 28 1HD2 LEU 28 -3.031 3.973 -1.168 185 HD23 LEU 28 2HD2 LEU 28 -4.022 2.969 -0.109 186 H ILE 29 H ILE 29 -2.968 6.572 2.274 187 HA ILE 29 HA ILE 29 -0.902 7.560 0.748 188 HB ILE 29 HB ILE 29 -2.754 9.199 2.482 189 HG12 ILE 29 1HG1 ILE 29 -3.072 8.290 -0.387 190 HG13 ILE 29 2HG1 ILE 29 -3.939 7.619 0.989 191 HG21 ILE 29 1HG2 ILE 29 -1.046 10.632 1.741 192 HG22 ILE 29 2HG2 ILE 29 -1.000 9.886 0.144 193 HG23 ILE 29 3HG2 ILE 29 -2.377 10.883 0.612 194 HD11 ILE 29 3HD1 ILE 29 -4.353 10.142 -0.468 195 HD12 ILE 29 1HD1 ILE 29 -5.516 9.073 0.316 196 HD13 ILE 29 2HD1 ILE 29 -4.568 10.205 1.281 197 H LYS 30 H LYS 30 -1.390 7.887 4.238 198 HA LYS 30 HA LYS 30 0.842 9.587 4.679 199 HB2 LYS 30 1HB LYS 30 -0.904 9.539 6.317 200 HB3 LYS 30 2HB LYS 30 -0.746 7.800 6.522 201 HG2 LYS 30 1HG LYS 30 1.477 8.118 7.494 202 HG3 LYS 30 2HG LYS 30 1.305 9.865 7.300 203 HD2 LYS 30 1HD LYS 30 -0.642 8.201 8.881 204 HD3 LYS 30 2HD LYS 30 0.794 8.931 9.601 205 HE2 LYS 30 1HE LYS 30 -1.010 10.664 7.994 206 HE3 LYS 30 2HE LYS 30 -1.550 10.162 9.595 207 HZ1 LYS 30 3HZ LYS 30 1.134 11.030 9.713 208 HZ2 LYS 30 1HZ LYS 30 -0.219 11.654 10.513 209 HZ3 LYS 30 2HZ LYS 30 0.190 12.225 8.975 210 H HIS 31 H HIS 31 0.394 6.099 4.674 211 HA HIS 31 HA HIS 31 2.885 5.403 5.801 212 HB2 HIS 31 1HB HIS 31 1.443 3.609 5.794 213 HB3 HIS 31 2HB HIS 31 0.809 3.987 4.195 214 HD1 HIS 31 HD1 HIS 31 3.623 2.208 5.909 215 HD2 HIS 31 HD2 HIS 31 2.183 2.828 2.061 216 HE1 HIS 31 HE1 HIS 31 4.882 0.592 4.451 217 H GLN 32 H GLN 32 1.834 5.720 2.421 218 HA GLN 32 HA GLN 32 4.089 4.916 1.095 219 HB2 GLN 32 1HB GLN 32 2.127 7.113 0.483 220 HB3 GLN 32 2HB GLN 32 3.449 6.732 -0.613 221 HG2 GLN 32 1HG GLN 32 2.485 4.287 -0.352 222 HG3 GLN 32 2HG GLN 32 1.013 5.174 0.040 223 HE21 GLN 32 1HE2 GLN 32 1.473 3.491 -2.229 224 HE22 GLN 32 2HE2 GLN 32 1.298 4.476 -3.637 225 H LYS 33 H LYS 33 3.709 7.680 3.104 226 HA LYS 33 HA LYS 33 5.651 9.407 2.113 227 HB2 LYS 33 1HB LYS 33 4.831 8.879 4.974 228 HB3 LYS 33 2HB LYS 33 5.828 10.235 4.464 229 HG2 LYS 33 1HG LYS 33 3.061 9.736 3.400 230 HG3 LYS 33 2HG LYS 33 3.396 10.740 4.813 231 HD2 LYS 33 1HD LYS 33 4.841 12.172 3.431 232 HD3 LYS 33 2HD LYS 33 4.459 11.180 2.021 233 HE2 LYS 33 1HE LYS 33 2.079 11.755 2.295 234 HE3 LYS 33 2HE LYS 33 2.502 12.789 3.660 235 HZ1 LYS 33 3HZ LYS 33 2.516 14.330 2.022 236 HZ2 LYS 33 1HZ LYS 33 2.907 13.223 0.804 237 HZ3 LYS 33 2HZ LYS 33 4.112 13.799 1.841 238 H ILE 34 H ILE 34 5.974 6.596 4.224 239 HA ILE 34 HA ILE 34 8.594 6.856 5.044 240 HB ILE 34 HB ILE 34 8.641 4.528 5.446 241 HG12 ILE 34 1HG1 ILE 34 6.403 4.248 3.428 242 HG13 ILE 34 2HG1 ILE 34 8.082 3.795 3.161 243 HG21 ILE 34 1HG2 ILE 34 5.825 4.421 5.789 244 HG22 ILE 34 2HG2 ILE 34 7.069 4.751 6.994 245 HG23 ILE 34 3HG2 ILE 34 6.353 6.078 6.080 246 HD11 ILE 34 3HD1 ILE 34 6.033 2.497 4.903 247 HD12 ILE 34 1HD1 ILE 34 7.050 1.786 3.651 248 HD13 ILE 34 2HD1 ILE 34 7.755 2.257 5.198 249 H HIS 35 H HIS 35 7.356 6.011 1.903 250 HA HIS 35 HA HIS 35 9.965 5.171 0.931 251 HB2 HIS 35 1HB HIS 35 7.425 5.544 -0.663 252 HB3 HIS 35 2HB HIS 35 8.852 4.620 -1.125 253 HD1 HIS 35 HD1 HIS 35 9.344 2.681 0.973 254 HD2 HIS 35 HD2 HIS 35 5.465 3.842 0.041 255 HE1 HIS 35 HE1 HIS 35 7.867 0.831 1.820 256 H THR 36 H THR 36 8.012 8.000 1.059 257 HA THR 36 HA THR 36 9.219 9.356 -1.159 258 HB THR 36 HB THR 36 8.060 11.342 -0.372 259 HG1 THR 36 HG1 THR 36 8.432 10.494 1.977 260 HG21 THR 36 3HG2 THR 36 6.205 9.012 0.072 261 HG22 THR 36 1HG2 THR 36 6.812 9.451 -1.524 262 HG23 THR 36 2HG2 THR 36 5.826 10.593 -0.610 263 H GLY 37 H GLY 37 11.076 10.453 -1.217 264 HA2 GLY 37 1HA GLY 37 12.303 11.248 1.349 265 HA3 GLY 37 2HA GLY 37 13.244 10.449 0.098 266 H GLU 38 H GLU 38 11.100 13.269 0.500 267 HA GLU 38 HA GLU 38 12.700 14.704 -1.490 268 HB2 GLU 38 1HB GLU 38 10.253 14.696 -1.777 269 HB3 GLU 38 2HB GLU 38 10.070 15.456 -0.202 270 HG2 GLU 38 1HG GLU 38 11.173 17.445 -0.975 271 HG3 GLU 38 2HG GLU 38 11.541 16.684 -2.521 272 H LYS 39 H LYS 39 11.304 15.264 1.742 273 HA LYS 39 HA LYS 39 12.420 17.656 2.398 274 HB2 LYS 39 1HB LYS 39 10.933 16.069 3.799 275 HB3 LYS 39 2HB LYS 39 12.450 15.397 4.383 276 HG2 LYS 39 1HG LYS 39 13.109 17.562 5.249 277 HG3 LYS 39 2HG LYS 39 11.635 18.289 4.603 278 HD2 LYS 39 1HD LYS 39 11.498 15.976 6.504 279 HD3 LYS 39 2HD LYS 39 11.713 17.623 7.102 280 HE2 LYS 39 1HE LYS 39 9.676 18.274 5.816 281 HE3 LYS 39 2HE LYS 39 9.435 16.570 5.430 282 HZ1 LYS 39 3HZ LYS 39 8.266 17.654 7.479 283 HZ2 LYS 39 1HZ LYS 39 9.744 17.343 8.242 284 HZ3 LYS 39 2HZ LYS 39 8.857 16.072 7.567 285 HA PRO 40 HA PRO 40 16.797 17.134 2.293 286 HB2 PRO 40 1HB PRO 40 17.490 19.277 3.809 287 HB3 PRO 40 2HB PRO 40 16.909 19.424 2.146 288 HG2 PRO 40 1HG PRO 40 15.415 19.793 4.714 289 HG3 PRO 40 2HG PRO 40 15.361 20.773 3.237 290 HD2 PRO 40 1HD PRO 40 13.460 18.942 3.841 291 HD3 PRO 40 2HD PRO 40 13.932 19.313 2.170 292 H SER 41 H SER 41 14.881 16.727 5.027 293 HA SER 41 HA SER 41 15.199 15.781 7.072 294 HB2 SER 41 1HB SER 41 16.372 14.122 5.406 295 HB3 SER 41 2HB SER 41 17.848 14.697 6.181 296 HG SER 41 HG SER 41 16.956 12.838 7.210 297 H GLY 42 H GLY 42 16.052 18.446 6.811 298 HA2 GLY 42 1HA GLY 42 18.637 18.711 8.086 299 HA3 GLY 42 2HA GLY 42 17.538 20.017 7.667 300 HA PRO 43 HA PRO 43 16.260 20.423 11.835 301 HB2 PRO 43 1HB PRO 43 13.593 20.879 11.620 302 HB3 PRO 43 2HB PRO 43 14.812 22.069 11.148 303 HG2 PRO 43 1HG PRO 43 13.257 20.168 9.435 304 HG3 PRO 43 2HG PRO 43 13.638 21.876 9.150 305 HD2 PRO 43 1HD PRO 43 15.010 19.861 7.972 306 HD3 PRO 43 2HD PRO 43 15.768 21.406 8.405 307 H SER 44 H SER 44 14.094 18.315 9.959 308 HA SER 44 HA SER 44 12.764 16.559 10.640 309 HB2 SER 44 1HB SER 44 14.162 14.718 11.632 310 HB3 SER 44 2HB SER 44 14.840 15.435 10.171 311 HG SER 44 HG SER 44 16.523 15.955 11.296 312 H SER 45 H SER 45 12.360 18.704 12.359 313 HA SER 45 HA SER 45 11.615 17.282 14.787 314 HB2 SER 45 1HB SER 45 12.652 18.771 16.307 315 HB3 SER 45 2HB SER 45 13.900 18.395 15.120 316 HG SER 45 HG SER 45 12.838 20.428 14.077 317 H GLY 46 H GLY 46 10.288 18.821 16.244 318 HA2 GLY 46 1HA GLY 46 9.076 21.137 15.488 319 HA3 GLY 46 2HA GLY 46 8.194 19.908 14.593 Start of MODEL 14 1 H1 GLY 1 H GLY 1 11.896 -17.100 16.207 2 HA2 GLY 1 1HA GLY 1 11.101 -17.064 13.882 3 HA3 GLY 1 2HA GLY 1 9.915 -16.302 14.931 4 H SER 2 H SER 2 9.476 -14.158 14.712 5 HA SER 2 HA SER 2 9.414 -12.082 13.780 6 HB2 SER 2 1HB SER 2 11.818 -12.037 14.528 7 HB3 SER 2 2HB SER 2 12.269 -12.578 12.911 8 HG SER 2 HG SER 2 10.896 -10.629 12.279 9 H SER 3 H SER 3 8.372 -14.167 12.304 10 HA SER 3 HA SER 3 9.328 -14.086 9.598 11 HB2 SER 3 1HB SER 3 6.834 -15.256 10.843 12 HB3 SER 3 2HB SER 3 7.221 -15.395 9.129 13 HG SER 3 HG SER 3 9.194 -16.423 9.783 14 H GLY 4 H GLY 4 9.054 -12.361 8.349 15 HA2 GLY 4 1HA GLY 4 6.931 -10.464 8.848 16 HA3 GLY 4 2HA GLY 4 8.177 -10.339 7.615 17 H SER 5 H SER 5 5.204 -12.100 8.427 18 HA SER 5 HA SER 5 4.203 -11.734 5.756 19 HB2 SER 5 1HB SER 5 5.567 -13.674 5.308 20 HB3 SER 5 2HB SER 5 4.933 -14.505 6.728 21 HG SER 5 HG SER 5 3.087 -13.631 4.837 22 H SER 6 H SER 6 1.984 -12.122 5.585 23 HA SER 6 HA SER 6 0.597 -13.037 7.999 24 HB2 SER 6 1HB SER 6 0.836 -10.439 7.783 25 HB3 SER 6 2HB SER 6 -0.428 -10.608 6.565 26 HG SER 6 HG SER 6 -1.556 -11.851 8.299 27 H GLY 7 H GLY 7 -0.817 -14.559 7.473 28 HA2 GLY 7 1HA GLY 7 -1.504 -15.088 4.745 29 HA3 GLY 7 2HA GLY 7 -2.104 -15.948 6.155 30 H THR 8 H THR 8 -4.234 -15.875 6.290 31 HA THR 8 HA THR 8 -6.046 -14.540 4.856 32 HB THR 8 HB THR 8 -6.393 -14.857 7.841 33 HG1 THR 8 HG1 THR 8 -5.802 -16.858 7.140 34 HG21 THR 8 3HG2 THR 8 -8.752 -15.519 6.620 35 HG22 THR 8 1HG2 THR 8 -8.164 -14.207 5.599 36 HG23 THR 8 2HG2 THR 8 -8.385 -13.947 7.330 37 H GLY 9 H GLY 9 -6.825 -12.526 4.585 38 HA2 GLY 9 1HA GLY 9 -7.312 -10.456 6.120 39 HA3 GLY 9 2HA GLY 9 -5.556 -10.387 6.134 40 H GLU 10 H GLU 10 -8.331 -9.354 4.577 41 HA GLU 10 HA GLU 10 -6.777 -8.555 2.203 42 HB2 GLU 10 1HB GLU 10 -9.757 -9.040 2.373 43 HB3 GLU 10 2HB GLU 10 -8.875 -8.536 0.938 44 HG2 GLU 10 1HG GLU 10 -7.828 -10.610 0.708 45 HG3 GLU 10 2HG GLU 10 -8.219 -11.089 2.359 46 H ARG 11 H ARG 11 -7.369 -6.488 1.252 47 HA ARG 11 HA ARG 11 -8.916 -4.645 2.858 48 HB2 ARG 11 1HB ARG 11 -5.950 -4.224 2.443 49 HB3 ARG 11 2HB ARG 11 -7.059 -3.031 3.107 50 HG2 ARG 11 1HG ARG 11 -6.551 -5.726 4.344 51 HG3 ARG 11 2HG ARG 11 -5.706 -4.246 4.803 52 HD2 ARG 11 1HD ARG 11 -7.734 -3.233 5.546 53 HD3 ARG 11 2HD ARG 11 -8.702 -4.542 4.869 54 HE ARG 11 HE ARG 11 -8.264 -5.789 6.740 55 HH11 ARG 11 1HH1 ARG 11 -6.061 -3.097 6.614 56 HH12 ARG 11 2HH1 ARG 11 -5.423 -3.376 8.200 57 HH21 ARG 11 1HH2 ARG 11 -7.432 -6.168 8.830 58 HH22 ARG 11 2HH2 ARG 11 -6.203 -5.124 9.460 59 HA PRO 12 HA PRO 12 -9.696 -2.841 -1.069 60 HB2 PRO 12 1HB PRO 12 -10.268 -0.287 -0.346 61 HB3 PRO 12 2HB PRO 12 -11.364 -1.639 -0.042 62 HG2 PRO 12 1HG PRO 12 -9.438 -0.307 1.822 63 HG3 PRO 12 2HG PRO 12 -11.104 -0.834 2.124 64 HD2 PRO 12 1HD PRO 12 -8.953 -2.273 2.922 65 HD3 PRO 12 2HD PRO 12 -10.485 -3.031 2.440 66 H TYR 13 H TYR 13 -7.468 -1.103 1.063 67 HA TYR 13 HA TYR 13 -6.083 -0.065 -1.320 68 HB2 TYR 13 1HB TYR 13 -5.724 1.019 1.463 69 HB3 TYR 13 2HB TYR 13 -5.367 1.800 -0.073 70 HD1 TYR 13 HD1 TYR 13 -7.261 2.591 -1.512 71 HD2 TYR 13 HD2 TYR 13 -7.862 1.208 2.467 72 HE1 TYR 13 HE1 TYR 13 -9.460 3.692 -1.468 73 HE2 TYR 13 HE2 TYR 13 -10.063 2.304 2.521 74 HH TYR 13 HH TYR 13 -11.064 4.493 1.065 75 H ILE 14 H ILE 14 -3.930 -0.437 -1.593 76 HA ILE 14 HA ILE 14 -2.422 -1.755 0.528 77 HB ILE 14 HB ILE 14 -2.872 -2.973 -2.194 78 HG12 ILE 14 1HG1 ILE 14 -3.316 -4.987 -0.576 79 HG13 ILE 14 2HG1 ILE 14 -3.553 -3.726 0.628 80 HG21 ILE 14 1HG2 ILE 14 -1.224 -4.614 -0.572 81 HG22 ILE 14 2HG2 ILE 14 -0.844 -3.866 -2.123 82 HG23 ILE 14 3HG2 ILE 14 -0.507 -3.004 -0.623 83 HD11 ILE 14 3HD1 ILE 14 -5.384 -4.709 -1.283 84 HD12 ILE 14 1HD1 ILE 14 -5.624 -3.446 -0.076 85 HD13 ILE 14 2HD1 ILE 14 -5.035 -3.028 -1.686 86 H CYS 15 H CYS 15 -0.314 -1.202 0.546 87 HA CYS 15 HA CYS 15 0.581 0.908 -1.131 88 HB2 CYS 15 1HB CYS 15 1.328 0.623 1.211 89 HB3 CYS 15 2HB CYS 15 2.184 -0.843 0.746 90 H THR 16 H THR 16 1.240 0.709 -3.156 91 HA THR 16 HA THR 16 2.141 -1.851 -4.179 92 HB THR 16 HB THR 16 0.596 -0.453 -5.513 93 HG1 THR 16 HG1 THR 16 2.336 -0.380 -7.397 94 HG21 THR 16 3HG2 THR 16 2.948 1.433 -5.577 95 HG22 THR 16 1HG2 THR 16 1.318 1.761 -4.991 96 HG23 THR 16 2HG2 THR 16 1.603 1.517 -6.714 97 H VAL 17 H VAL 17 3.851 -0.572 -2.253 98 HA VAL 17 HA VAL 17 6.243 -0.201 -3.930 99 HB VAL 17 HB VAL 17 5.581 1.314 -1.401 100 HG11 VAL 17 1HG1 VAL 17 8.068 1.352 -3.107 101 HG12 VAL 17 2HG1 VAL 17 7.717 2.485 -1.800 102 HG13 VAL 17 3HG1 VAL 17 7.937 0.771 -1.448 103 HG21 VAL 17 3HG2 VAL 17 5.966 3.256 -3.100 104 HG22 VAL 17 1HG2 VAL 17 5.595 2.021 -4.303 105 HG23 VAL 17 2HG2 VAL 17 4.413 2.421 -3.056 106 H CYS 18 H CYS 18 5.112 -0.922 -0.631 107 HA CYS 18 HA CYS 18 7.473 -2.633 -0.260 108 HB2 CYS 18 1HB CYS 18 7.016 -2.480 2.139 109 HB3 CYS 18 2HB CYS 18 7.157 -0.875 1.430 110 H GLY 19 H GLY 19 3.953 -2.583 -0.094 111 HA2 GLY 19 1HA GLY 19 2.746 -4.558 -0.819 112 HA3 GLY 19 2HA GLY 19 4.008 -5.532 -0.080 113 H LYS 20 H LYS 20 2.521 -2.715 1.405 114 HA LYS 20 HA LYS 20 1.549 -4.455 3.558 115 HB2 LYS 20 1HB LYS 20 3.116 -2.399 3.904 116 HB3 LYS 20 2HB LYS 20 1.640 -1.460 3.718 117 HG2 LYS 20 1HG LYS 20 0.712 -2.286 5.668 118 HG3 LYS 20 2HG LYS 20 1.750 -3.713 5.677 119 HD2 LYS 20 1HD LYS 20 2.782 -2.493 7.306 120 HD3 LYS 20 2HD LYS 20 3.647 -1.875 5.897 121 HE2 LYS 20 1HE LYS 20 2.586 0.150 5.965 122 HE3 LYS 20 2HE LYS 20 1.130 -0.515 6.704 123 HZ1 LYS 20 3HZ LYS 20 3.712 -0.221 8.135 124 HZ2 LYS 20 1HZ LYS 20 2.211 -0.626 8.802 125 HZ3 LYS 20 2HZ LYS 20 2.472 0.929 8.190 126 H ALA 21 H ALA 21 -0.552 -4.178 4.427 127 HA ALA 21 HA ALA 21 -2.474 -3.112 2.473 128 HB1 ALA 21 3HB ALA 21 -3.972 -4.742 3.087 129 HB2 ALA 21 1HB ALA 21 -2.442 -5.589 3.319 130 HB3 ALA 21 2HB ALA 21 -3.293 -4.910 4.707 131 H PHE 22 H PHE 22 -4.217 -1.834 3.150 132 HA PHE 22 HA PHE 22 -4.185 -0.862 5.909 133 HB2 PHE 22 1HB PHE 22 -4.210 1.015 3.540 134 HB3 PHE 22 2HB PHE 22 -4.186 1.459 5.243 135 HD1 PHE 22 HD2 PHE 22 -2.201 -0.386 2.693 136 HD2 PHE 22 HD1 PHE 22 -2.172 1.908 6.278 137 HE1 PHE 22 HE2 PHE 22 0.258 -0.345 2.643 138 HE2 PHE 22 HE1 PHE 22 0.287 1.954 6.233 139 HZ PHE 22 HZ PHE 22 1.506 0.826 4.414 140 H THR 23 H THR 23 -6.164 -0.355 6.709 141 HA THR 23 HA THR 23 -8.459 -1.292 5.344 142 HB THR 23 HB THR 23 -9.744 -0.399 7.242 143 HG1 THR 23 HG1 THR 23 -8.919 1.336 8.131 144 HG21 THR 23 3HG2 THR 23 -8.853 -1.820 8.910 145 HG22 THR 23 1HG2 THR 23 -7.210 -1.638 8.297 146 HG23 THR 23 2HG2 THR 23 -8.400 -2.553 7.371 147 H ASP 24 H ASP 24 -7.496 2.006 6.300 148 HA ASP 24 HA ASP 24 -9.492 3.084 4.445 149 HB2 ASP 24 1HB ASP 24 -9.484 3.958 6.754 150 HB3 ASP 24 2HB ASP 24 -7.824 4.504 6.533 151 H ARG 25 H ARG 25 -8.914 4.803 2.984 152 HA ARG 25 HA ARG 25 -6.574 4.242 1.501 153 HB2 ARG 25 1HB ARG 25 -8.713 5.189 0.583 154 HB3 ARG 25 2HB ARG 25 -8.284 6.725 1.323 155 HG2 ARG 25 1HG ARG 25 -6.179 6.692 -0.028 156 HG3 ARG 25 2HG ARG 25 -6.821 5.280 -0.870 157 HD2 ARG 25 1HD ARG 25 -8.023 8.042 -0.772 158 HD3 ARG 25 2HD ARG 25 -7.285 7.256 -2.166 159 HE ARG 25 HE ARG 25 -9.482 5.766 -1.109 160 HH11 ARG 25 1HH1 ARG 25 -8.618 8.449 -3.152 161 HH12 ARG 25 2HH1 ARG 25 -10.064 8.361 -4.102 162 HH21 ARG 25 1HH2 ARG 25 -11.391 5.640 -2.352 163 HH22 ARG 25 2HH2 ARG 25 -11.641 6.763 -3.645 164 H SER 26 H SER 26 -7.450 6.931 3.647 165 HA SER 26 HA SER 26 -5.238 8.545 3.325 166 HB2 SER 26 1HB SER 26 -7.251 9.087 4.706 167 HB3 SER 26 2HB SER 26 -6.634 8.008 5.957 168 HG SER 26 HG SER 26 -5.873 10.556 5.310 169 H ASN 27 H ASN 27 -5.638 5.970 5.760 170 HA ASN 27 HA ASN 27 -3.206 6.068 6.995 171 HB2 ASN 27 1HB ASN 27 -4.760 3.591 6.219 172 HB3 ASN 27 2HB ASN 27 -3.456 3.627 7.401 173 HD21 ASN 27 1HD2 ASN 27 -4.532 3.151 9.219 174 HD22 ASN 27 2HD2 ASN 27 -5.827 4.092 9.869 175 H LEU 28 H LEU 28 -3.929 4.840 3.804 176 HA LEU 28 HA LEU 28 -1.375 3.588 3.424 177 HB2 LEU 28 1HB LEU 28 -3.344 2.802 2.234 178 HB3 LEU 28 2HB LEU 28 -3.516 4.372 1.450 179 HG LEU 28 HG LEU 28 -1.435 4.000 0.229 180 HD11 LEU 28 1HD1 LEU 28 -1.054 1.220 0.634 181 HD12 LEU 28 2HD1 LEU 28 -1.025 2.010 2.210 182 HD13 LEU 28 3HD1 LEU 28 0.074 2.542 0.937 183 HD21 LEU 28 3HD2 LEU 28 -2.972 1.488 -0.203 184 HD22 LEU 28 1HD2 LEU 28 -2.360 2.656 -1.375 185 HD23 LEU 28 2HD2 LEU 28 -3.796 3.033 -0.421 186 H ILE 29 H ILE 29 -2.880 6.628 2.394 187 HA ILE 29 HA ILE 29 -0.726 7.550 0.828 188 HB ILE 29 HB ILE 29 -2.786 9.188 2.311 189 HG12 ILE 29 1HG1 ILE 29 -2.850 8.420 -0.601 190 HG13 ILE 29 2HG1 ILE 29 -3.571 7.395 0.636 191 HG21 ILE 29 1HG2 ILE 29 -2.206 11.011 0.974 192 HG22 ILE 29 2HG2 ILE 29 -0.655 10.315 1.439 193 HG23 ILE 29 3HG2 ILE 29 -1.312 10.008 -0.168 194 HD11 ILE 29 3HD1 ILE 29 -4.996 9.164 -0.656 195 HD12 ILE 29 1HD1 ILE 29 -5.263 8.867 1.061 196 HD13 ILE 29 2HD1 ILE 29 -4.323 10.268 0.544 197 H LYS 30 H LYS 30 -1.450 7.808 4.258 198 HA LYS 30 HA LYS 30 0.647 9.671 4.825 199 HB2 LYS 30 1HB LYS 30 0.059 9.414 7.104 200 HB3 LYS 30 2HB LYS 30 -1.450 9.304 6.207 201 HG2 LYS 30 1HG LYS 30 -1.482 6.917 6.438 202 HG3 LYS 30 2HG LYS 30 0.123 6.926 7.172 203 HD2 LYS 30 1HD LYS 30 -1.532 6.683 8.905 204 HD3 LYS 30 2HD LYS 30 -0.790 8.279 9.040 205 HE2 LYS 30 1HE LYS 30 -3.249 8.028 7.394 206 HE3 LYS 30 2HE LYS 30 -3.421 7.922 9.145 207 HZ1 LYS 30 3HZ LYS 30 -2.502 10.188 7.509 208 HZ2 LYS 30 1HZ LYS 30 -1.992 10.056 9.117 209 HZ3 LYS 30 2HZ LYS 30 -3.642 10.164 8.760 210 H HIS 31 H HIS 31 0.441 6.248 4.466 211 HA HIS 31 HA HIS 31 2.904 5.719 5.896 212 HB2 HIS 31 1HB HIS 31 1.454 3.920 6.109 213 HB3 HIS 31 2HB HIS 31 0.885 4.048 4.447 214 HD1 HIS 31 HD1 HIS 31 3.579 2.542 6.535 215 HD2 HIS 31 HD2 HIS 31 2.479 2.740 2.534 216 HE1 HIS 31 HE1 HIS 31 4.975 0.806 5.368 217 H GLN 32 H GLN 32 1.774 5.629 2.528 218 HA GLN 32 HA GLN 32 4.027 4.753 1.245 219 HB2 GLN 32 1HB GLN 32 2.036 6.859 0.414 220 HB3 GLN 32 2HB GLN 32 3.296 6.268 -0.661 221 HG2 GLN 32 1HG GLN 32 1.521 4.285 0.656 222 HG3 GLN 32 2HG GLN 32 0.875 5.245 -0.674 223 HE21 GLN 32 1HE2 GLN 32 0.718 2.998 -1.557 224 HE22 GLN 32 2HE2 GLN 32 2.074 2.404 -2.447 225 H LYS 33 H LYS 33 3.630 7.666 2.997 226 HA LYS 33 HA LYS 33 5.456 9.371 1.772 227 HB2 LYS 33 1HB LYS 33 4.608 9.043 4.641 228 HB3 LYS 33 2HB LYS 33 5.774 10.269 4.162 229 HG2 LYS 33 1HG LYS 33 4.006 11.038 2.486 230 HG3 LYS 33 2HG LYS 33 2.881 10.042 3.413 231 HD2 LYS 33 1HD LYS 33 3.343 11.307 5.415 232 HD3 LYS 33 2HD LYS 33 4.598 12.230 4.585 233 HE2 LYS 33 1HE LYS 33 2.825 13.692 4.487 234 HE3 LYS 33 2HE LYS 33 2.656 12.845 2.950 235 HZ1 LYS 33 3HZ LYS 33 0.531 12.996 4.024 236 HZ2 LYS 33 1HZ LYS 33 1.136 12.298 5.442 237 HZ3 LYS 33 2HZ LYS 33 1.023 11.378 4.028 238 H ILE 34 H ILE 34 5.984 6.736 4.053 239 HA ILE 34 HA ILE 34 8.637 7.170 4.717 240 HB ILE 34 HB ILE 34 8.800 4.859 5.280 241 HG12 ILE 34 1HG1 ILE 34 6.344 4.411 3.570 242 HG13 ILE 34 2HG1 ILE 34 7.986 3.946 3.136 243 HG21 ILE 34 1HG2 ILE 34 5.938 5.729 5.663 244 HG22 ILE 34 2HG2 ILE 34 6.800 4.526 6.621 245 HG23 ILE 34 3HG2 ILE 34 7.302 6.216 6.670 246 HD11 ILE 34 3HD1 ILE 34 6.392 2.876 5.452 247 HD12 ILE 34 1HD1 ILE 34 6.728 2.041 3.936 248 HD13 ILE 34 2HD1 ILE 34 8.046 2.421 5.046 249 H HIS 35 H HIS 35 7.261 6.067 1.732 250 HA HIS 35 HA HIS 35 9.842 5.195 0.697 251 HB2 HIS 35 1HB HIS 35 7.204 5.315 -0.769 252 HB3 HIS 35 2HB HIS 35 8.641 4.404 -1.226 253 HD1 HIS 35 HD1 HIS 35 9.336 2.674 0.972 254 HD2 HIS 35 HD2 HIS 35 5.361 3.642 0.251 255 HE1 HIS 35 HE1 HIS 35 7.991 0.867 2.089 256 H THR 36 H THR 36 7.770 7.944 0.662 257 HA THR 36 HA THR 36 9.473 9.201 -1.391 258 HB THR 36 HB THR 36 7.256 9.056 -2.284 259 HG1 THR 36 HG1 THR 36 6.782 11.314 -2.467 260 HG21 THR 36 3HG2 THR 36 6.172 8.754 -0.010 261 HG22 THR 36 1HG2 THR 36 5.281 9.741 -1.168 262 HG23 THR 36 2HG2 THR 36 6.194 10.512 0.129 263 H GLY 37 H GLY 37 10.872 9.657 0.513 264 HA2 GLY 37 1HA GLY 37 10.540 12.341 1.354 265 HA3 GLY 37 2HA GLY 37 10.130 11.253 2.671 266 H GLU 38 H GLU 38 11.774 9.734 3.389 267 HA GLU 38 HA GLU 38 14.249 10.960 3.832 268 HB2 GLU 38 1HB GLU 38 13.465 8.052 4.077 269 HB3 GLU 38 2HB GLU 38 14.962 8.733 4.698 270 HG2 GLU 38 1HG GLU 38 13.550 10.295 6.073 271 HG3 GLU 38 2HG GLU 38 12.157 9.328 5.592 272 H LYS 39 H LYS 39 13.549 8.093 1.826 273 HA LYS 39 HA LYS 39 16.141 8.125 0.617 274 HB2 LYS 39 1HB LYS 39 15.379 6.267 -0.686 275 HB3 LYS 39 2HB LYS 39 14.744 6.069 0.943 276 HG2 LYS 39 1HG LYS 39 12.639 7.252 -0.020 277 HG3 LYS 39 2HG LYS 39 13.306 6.758 -1.579 278 HD2 LYS 39 1HD LYS 39 13.019 4.783 0.656 279 HD3 LYS 39 2HD LYS 39 11.640 5.188 -0.368 280 HE2 LYS 39 1HE LYS 39 12.515 3.374 -1.482 281 HE3 LYS 39 2HE LYS 39 13.311 4.708 -2.315 282 HZ1 LYS 39 3HZ LYS 39 15.021 4.209 -0.309 283 HZ2 LYS 39 1HZ LYS 39 15.159 3.555 -1.863 284 HZ3 LYS 39 2HZ LYS 39 14.439 2.653 -0.627 285 HA PRO 40 HA PRO 40 15.467 10.972 -2.665 286 HB2 PRO 40 1HB PRO 40 17.232 10.004 -4.487 287 HB3 PRO 40 2HB PRO 40 17.733 10.871 -3.030 288 HG2 PRO 40 1HG PRO 40 17.651 7.923 -3.546 289 HG3 PRO 40 2HG PRO 40 18.906 8.884 -2.743 290 HD2 PRO 40 1HD PRO 40 17.079 7.434 -1.368 291 HD3 PRO 40 2HD PRO 40 17.753 8.955 -0.749 292 H SER 41 H SER 41 13.644 10.950 -3.821 293 HA SER 41 HA SER 41 12.307 8.772 -4.841 294 HB2 SER 41 1HB SER 41 11.040 10.335 -6.211 295 HB3 SER 41 2HB SER 41 11.352 11.056 -4.632 296 HG SER 41 HG SER 41 12.388 12.595 -5.600 297 H GLY 42 H GLY 42 14.470 10.962 -6.645 298 HA2 GLY 42 1HA GLY 42 15.776 10.585 -8.498 299 HA3 GLY 42 2HA GLY 42 15.607 8.866 -8.175 300 HA PRO 43 HA PRO 43 13.491 9.680 -12.184 301 HB2 PRO 43 1HB PRO 43 14.372 7.397 -13.360 302 HB3 PRO 43 2HB PRO 43 15.316 8.891 -13.336 303 HG2 PRO 43 1HG PRO 43 15.546 6.477 -11.581 304 HG3 PRO 43 2HG PRO 43 16.831 7.438 -12.334 305 HD2 PRO 43 1HD PRO 43 16.132 7.725 -9.734 306 HD3 PRO 43 2HD PRO 43 16.725 9.078 -10.718 307 H SER 44 H SER 44 13.094 7.671 -9.607 308 HA SER 44 HA SER 44 11.726 5.458 -10.178 309 HB2 SER 44 1HB SER 44 11.064 7.623 -8.201 310 HB3 SER 44 2HB SER 44 10.055 6.182 -8.323 311 HG SER 44 HG SER 44 11.903 6.168 -6.780 312 H SER 45 H SER 45 10.441 5.070 -11.861 313 HA SER 45 HA SER 45 9.004 6.686 -13.442 314 HB2 SER 45 1HB SER 45 8.070 3.985 -12.440 315 HB3 SER 45 2HB SER 45 7.447 4.806 -13.871 316 HG SER 45 HG SER 45 10.199 4.258 -13.562 317 H GLY 46 H GLY 46 7.047 7.729 -13.491 318 HA2 GLY 46 1HA GLY 46 4.811 7.496 -12.018 319 HA3 GLY 46 2HA GLY 46 5.883 8.332 -10.905 Start of MODEL 15 1 H1 GLY 1 H GLY 1 15.615 -22.781 6.857 2 HA2 GLY 1 1HA GLY 1 14.075 -23.903 9.068 3 HA3 GLY 1 2HA GLY 1 13.982 -22.255 8.465 4 H SER 2 H SER 2 11.629 -23.168 8.931 5 HA SER 2 HA SER 2 10.592 -24.191 6.368 6 HB2 SER 2 1HB SER 2 10.294 -25.708 8.361 7 HB3 SER 2 2HB SER 2 9.255 -24.470 9.067 8 HG SER 2 HG SER 2 8.796 -26.169 6.906 9 H SER 3 H SER 3 11.092 -21.482 6.687 10 HA SER 3 HA SER 3 8.474 -20.275 7.226 11 HB2 SER 3 1HB SER 3 11.275 -19.221 7.120 12 HB3 SER 3 2HB SER 3 9.932 -18.117 6.822 13 HG SER 3 HG SER 3 9.094 -18.675 8.851 14 H GLY 4 H GLY 4 8.074 -18.280 5.708 15 HA2 GLY 4 1HA GLY 4 8.964 -18.404 3.024 16 HA3 GLY 4 2HA GLY 4 7.434 -19.255 3.177 17 H SER 5 H SER 5 6.228 -17.830 1.971 18 HA SER 5 HA SER 5 5.340 -15.468 3.347 19 HB2 SER 5 1HB SER 5 7.453 -14.815 2.012 20 HB3 SER 5 2HB SER 5 6.440 -15.006 0.582 21 HG SER 5 HG SER 5 5.234 -13.316 1.184 22 H SER 6 H SER 6 3.233 -15.224 2.989 23 HA SER 6 HA SER 6 1.994 -15.590 0.460 24 HB2 SER 6 1HB SER 6 2.438 -17.990 1.405 25 HB3 SER 6 2HB SER 6 1.068 -17.632 2.456 26 HG SER 6 HG SER 6 1.128 -18.181 -0.234 27 H GLY 7 H GLY 7 -0.314 -15.167 0.521 28 HA2 GLY 7 1HA GLY 7 -2.223 -14.708 2.095 29 HA3 GLY 7 2HA GLY 7 -1.079 -13.701 2.970 30 H THR 8 H THR 8 -3.493 -13.721 0.672 31 HA THR 8 HA THR 8 -2.599 -11.611 -1.023 32 HB THR 8 HB THR 8 -5.444 -12.483 -0.490 33 HG1 THR 8 HG1 THR 8 -3.575 -13.371 -2.454 34 HG21 THR 8 3HG2 THR 8 -4.549 -10.292 -1.882 35 HG22 THR 8 1HG2 THR 8 -6.096 -11.099 -2.132 36 HG23 THR 8 2HG2 THR 8 -4.714 -11.509 -3.147 37 H GLY 9 H GLY 9 -4.705 -11.756 1.831 38 HA2 GLY 9 1HA GLY 9 -4.531 -9.924 3.439 39 HA3 GLY 9 2HA GLY 9 -4.390 -8.829 2.072 40 H GLU 10 H GLU 10 -6.251 -8.504 4.156 41 HA GLU 10 HA GLU 10 -8.782 -9.008 2.731 42 HB2 GLU 10 1HB GLU 10 -8.075 -9.215 5.618 43 HB3 GLU 10 2HB GLU 10 -9.687 -8.648 5.206 44 HG2 GLU 10 1HG GLU 10 -10.108 -10.868 5.341 45 HG3 GLU 10 2HG GLU 10 -9.645 -10.778 3.643 46 H ARG 11 H ARG 11 -7.085 -6.754 2.306 47 HA ARG 11 HA ARG 11 -8.888 -4.624 3.233 48 HB2 ARG 11 1HB ARG 11 -5.892 -4.709 3.348 49 HB3 ARG 11 2HB ARG 11 -6.722 -3.169 3.173 50 HG2 ARG 11 1HG ARG 11 -7.624 -3.255 5.277 51 HG3 ARG 11 2HG ARG 11 -7.572 -5.018 5.344 52 HD2 ARG 11 1HD ARG 11 -5.222 -5.016 5.713 53 HD3 ARG 11 2HD ARG 11 -5.104 -3.295 5.347 54 HE ARG 11 HE ARG 11 -6.824 -3.532 7.503 55 HH11 ARG 11 1HH1 ARG 11 -3.496 -4.249 6.775 56 HH12 ARG 11 2HH1 ARG 11 -2.955 -4.020 8.405 57 HH21 ARG 11 1HH2 ARG 11 -6.124 -3.228 9.652 58 HH22 ARG 11 2HH2 ARG 11 -4.450 -3.440 10.041 59 HA PRO 12 HA PRO 12 -9.141 -3.564 -1.030 60 HB2 PRO 12 1HB PRO 12 -9.939 -0.981 -0.788 61 HB3 PRO 12 2HB PRO 12 -11.008 -2.350 -0.463 62 HG2 PRO 12 1HG PRO 12 -9.474 -0.646 1.462 63 HG3 PRO 12 2HG PRO 12 -11.141 -1.239 1.575 64 HD2 PRO 12 1HD PRO 12 -9.087 -2.404 2.900 65 HD3 PRO 12 2HD PRO 12 -10.483 -3.324 2.303 66 H TYR 13 H TYR 13 -7.643 -1.038 0.999 67 HA TYR 13 HA TYR 13 -5.976 -0.178 -1.212 68 HB2 TYR 13 1HB TYR 13 -5.816 0.803 1.634 69 HB3 TYR 13 2HB TYR 13 -5.326 1.641 0.166 70 HD1 TYR 13 HD1 TYR 13 -6.999 2.667 -1.299 71 HD2 TYR 13 HD2 TYR 13 -8.124 0.768 2.338 72 HE1 TYR 13 HE1 TYR 13 -9.198 3.763 -1.414 73 HE2 TYR 13 HE2 TYR 13 -10.326 1.858 2.233 74 HH TYR 13 HH TYR 13 -11.487 3.568 1.229 75 H ILE 14 H ILE 14 -3.947 -0.800 -1.571 76 HA ILE 14 HA ILE 14 -2.338 -1.883 0.609 77 HB ILE 14 HB ILE 14 -2.817 -3.400 -1.959 78 HG12 ILE 14 1HG1 ILE 14 -3.547 -5.170 -0.202 79 HG13 ILE 14 2HG1 ILE 14 -3.715 -3.794 0.883 80 HG21 ILE 14 1HG2 ILE 14 -1.081 -4.766 -1.475 81 HG22 ILE 14 2HG2 ILE 14 -0.481 -3.330 -0.648 82 HG23 ILE 14 3HG2 ILE 14 -1.293 -4.599 0.268 83 HD11 ILE 14 3HD1 ILE 14 -5.570 -4.771 -0.980 84 HD12 ILE 14 1HD1 ILE 14 -5.701 -3.336 0.036 85 HD13 ILE 14 2HD1 ILE 14 -5.019 -3.209 -1.585 86 H CYS 15 H CYS 15 -0.402 -0.971 0.548 87 HA CYS 15 HA CYS 15 0.459 0.735 -1.500 88 HB2 CYS 15 1HB CYS 15 1.359 1.089 0.664 89 HB3 CYS 15 2HB CYS 15 1.907 -0.579 0.793 90 H THR 16 H THR 16 2.235 0.535 -2.959 91 HA THR 16 HA THR 16 2.603 -2.223 -3.916 92 HB THR 16 HB THR 16 1.540 -0.677 -5.525 93 HG1 THR 16 HG1 THR 16 3.400 -0.979 -7.159 94 HG21 THR 16 3HG2 THR 16 2.553 1.252 -6.335 95 HG22 THR 16 1HG2 THR 16 4.154 0.767 -5.779 96 HG23 THR 16 2HG2 THR 16 2.944 1.310 -4.617 97 H VAL 17 H VAL 17 4.269 0.711 -2.978 98 HA VAL 17 HA VAL 17 6.837 0.204 -3.870 99 HB VAL 17 HB VAL 17 6.050 1.475 -1.244 100 HG11 VAL 17 1HG1 VAL 17 8.295 2.716 -1.802 101 HG12 VAL 17 2HG1 VAL 17 8.307 1.158 -0.974 102 HG13 VAL 17 3HG1 VAL 17 8.637 1.241 -2.705 103 HG21 VAL 17 3HG2 VAL 17 5.094 2.416 -3.425 104 HG22 VAL 17 1HG2 VAL 17 5.938 3.534 -2.353 105 HG23 VAL 17 2HG2 VAL 17 6.749 2.907 -3.788 106 H CYS 18 H CYS 18 5.290 -0.886 -0.866 107 HA CYS 18 HA CYS 18 7.505 -2.800 -0.519 108 HB2 CYS 18 1HB CYS 18 7.000 -2.758 1.897 109 HB3 CYS 18 2HB CYS 18 7.457 -1.169 1.292 110 H GLY 19 H GLY 19 4.015 -2.298 -0.191 111 HA2 GLY 19 1HA GLY 19 2.504 -3.992 -1.022 112 HA3 GLY 19 2HA GLY 19 3.671 -5.207 -0.521 113 H LYS 20 H LYS 20 2.249 -2.427 1.186 114 HA LYS 20 HA LYS 20 1.519 -4.259 3.364 115 HB2 LYS 20 1HB LYS 20 2.997 -2.412 3.994 116 HB3 LYS 20 2HB LYS 20 1.835 -1.252 3.365 117 HG2 LYS 20 1HG LYS 20 0.330 -1.634 5.098 118 HG3 LYS 20 2HG LYS 20 1.081 -3.170 5.537 119 HD2 LYS 20 1HD LYS 20 2.716 -0.689 5.723 120 HD3 LYS 20 2HD LYS 20 1.486 -0.977 6.956 121 HE2 LYS 20 1HE LYS 20 3.533 -1.894 7.758 122 HE3 LYS 20 2HE LYS 20 2.492 -3.243 7.305 123 HZ1 LYS 20 3HZ LYS 20 4.868 -3.405 6.568 124 HZ2 LYS 20 1HZ LYS 20 4.560 -2.132 5.496 125 HZ3 LYS 20 2HZ LYS 20 3.721 -3.592 5.339 126 H ALA 21 H ALA 21 -0.543 -4.208 4.288 127 HA ALA 21 HA ALA 21 -2.622 -3.175 2.496 128 HB1 ALA 21 3HB ALA 21 -3.849 -4.983 2.993 129 HB2 ALA 21 1HB ALA 21 -2.329 -5.650 3.590 130 HB3 ALA 21 2HB ALA 21 -3.462 -4.896 4.712 131 H PHE 22 H PHE 22 -4.281 -1.867 3.213 132 HA PHE 22 HA PHE 22 -4.217 -0.965 5.998 133 HB2 PHE 22 1HB PHE 22 -4.048 0.836 3.578 134 HB3 PHE 22 2HB PHE 22 -4.463 1.410 5.190 135 HD1 PHE 22 HD1 PHE 22 -2.797 1.433 6.969 136 HD2 PHE 22 HD2 PHE 22 -1.804 0.216 3.013 137 HE1 PHE 22 HE1 PHE 22 -0.406 1.678 7.497 138 HE2 PHE 22 HE2 PHE 22 0.588 0.458 3.535 139 HZ PHE 22 HZ PHE 22 1.290 1.189 5.779 140 H THR 23 H THR 23 -6.173 -0.033 6.739 141 HA THR 23 HA THR 23 -8.505 -1.076 5.389 142 HB THR 23 HB THR 23 -9.752 -0.241 7.362 143 HG1 THR 23 HG1 THR 23 -8.819 1.341 8.408 144 HG21 THR 23 3HG2 THR 23 -8.544 -2.476 7.288 145 HG22 THR 23 1HG2 THR 23 -8.936 -1.852 8.889 146 HG23 THR 23 2HG2 THR 23 -7.291 -1.718 8.270 147 H ASP 24 H ASP 24 -7.516 2.138 6.581 148 HA ASP 24 HA ASP 24 -9.528 3.377 4.864 149 HB2 ASP 24 1HB ASP 24 -9.122 4.021 7.322 150 HB3 ASP 24 2HB ASP 24 -7.674 4.835 6.736 151 H ARG 25 H ARG 25 -9.055 4.808 3.222 152 HA ARG 25 HA ARG 25 -6.778 4.356 1.691 153 HB2 ARG 25 1HB ARG 25 -8.765 5.259 0.680 154 HB3 ARG 25 2HB ARG 25 -8.693 6.690 1.699 155 HG2 ARG 25 1HG ARG 25 -7.950 7.280 -0.490 156 HG3 ARG 25 2HG ARG 25 -6.556 7.301 0.592 157 HD2 ARG 25 1HD ARG 25 -5.862 5.123 -0.211 158 HD3 ARG 25 2HD ARG 25 -7.299 5.014 -1.227 159 HE ARG 25 HE ARG 25 -5.596 7.294 -1.742 160 HH11 ARG 25 1HH1 ARG 25 -6.372 3.997 -2.548 161 HH12 ARG 25 2HH1 ARG 25 -5.644 4.073 -4.118 162 HH21 ARG 25 1HH2 ARG 25 -4.636 7.406 -3.808 163 HH22 ARG 25 2HH2 ARG 25 -4.656 6.012 -4.834 164 H SER 26 H SER 26 -7.547 7.252 3.630 165 HA SER 26 HA SER 26 -5.301 8.735 3.286 166 HB2 SER 26 1HB SER 26 -7.315 9.240 4.772 167 HB3 SER 26 2HB SER 26 -6.486 8.328 6.033 168 HG SER 26 HG SER 26 -5.107 9.914 6.285 169 H ASN 27 H ASN 27 -5.663 6.030 5.556 170 HA ASN 27 HA ASN 27 -3.181 6.158 6.788 171 HB2 ASN 27 1HB ASN 27 -4.995 3.834 6.163 172 HB3 ASN 27 2HB ASN 27 -3.486 3.621 7.047 173 HD21 ASN 27 1HD2 ASN 27 -4.967 2.826 8.709 174 HD22 ASN 27 2HD2 ASN 27 -5.687 3.966 9.789 175 H LEU 28 H LEU 28 -4.085 4.814 3.674 176 HA LEU 28 HA LEU 28 -1.587 3.518 3.192 177 HB2 LEU 28 1HB LEU 28 -3.499 2.710 2.038 178 HB3 LEU 28 2HB LEU 28 -3.873 4.312 1.405 179 HG LEU 28 HG LEU 28 -1.787 4.173 0.035 180 HD11 LEU 28 1HD1 LEU 28 -0.323 2.637 0.768 181 HD12 LEU 28 2HD1 LEU 28 -1.267 1.530 -0.228 182 HD13 LEU 28 3HD1 LEU 28 -1.577 1.639 1.504 183 HD21 LEU 28 3HD2 LEU 28 -2.901 3.193 -1.686 184 HD22 LEU 28 1HD2 LEU 28 -4.246 3.351 -0.556 185 HD23 LEU 28 2HD2 LEU 28 -3.407 1.808 -0.718 186 H ILE 29 H ILE 29 -2.950 6.671 2.420 187 HA ILE 29 HA ILE 29 -0.829 7.485 0.700 188 HB ILE 29 HB ILE 29 -2.714 9.269 2.240 189 HG12 ILE 29 1HG1 ILE 29 -3.056 8.015 -0.493 190 HG13 ILE 29 2HG1 ILE 29 -3.969 7.597 0.953 191 HG21 ILE 29 1HG2 ILE 29 -2.278 10.877 0.474 192 HG22 ILE 29 2HG2 ILE 29 -0.769 10.386 1.241 193 HG23 ILE 29 3HG2 ILE 29 -1.211 9.728 -0.334 194 HD11 ILE 29 3HD1 ILE 29 -4.956 9.802 1.001 195 HD12 ILE 29 1HD1 ILE 29 -3.989 10.288 -0.391 196 HD13 ILE 29 2HD1 ILE 29 -5.226 9.043 -0.568 197 H LYS 30 H LYS 30 -1.540 7.956 4.133 198 HA LYS 30 HA LYS 30 0.667 9.674 4.641 199 HB2 LYS 30 1HB LYS 30 -0.001 9.644 6.849 200 HB3 LYS 30 2HB LYS 30 -1.502 9.215 6.040 201 HG2 LYS 30 1HG LYS 30 -1.064 6.848 6.496 202 HG3 LYS 30 2HG LYS 30 0.426 7.294 7.330 203 HD2 LYS 30 1HD LYS 30 -1.622 6.867 8.781 204 HD3 LYS 30 2HD LYS 30 -0.744 8.371 9.066 205 HE2 LYS 30 1HE LYS 30 -3.050 8.314 7.163 206 HE3 LYS 30 2HE LYS 30 -3.342 8.395 8.899 207 HZ1 LYS 30 3HZ LYS 30 -2.478 10.446 7.115 208 HZ2 LYS 30 1HZ LYS 30 -1.424 10.288 8.430 209 HZ3 LYS 30 2HZ LYS 30 -3.070 10.575 8.695 210 H HIS 31 H HIS 31 0.415 6.327 4.117 211 HA HIS 31 HA HIS 31 2.767 5.617 5.652 212 HB2 HIS 31 1HB HIS 31 1.322 3.821 5.630 213 HB3 HIS 31 2HB HIS 31 0.778 4.140 3.986 214 HD1 HIS 31 HD1 HIS 31 3.335 2.286 5.935 215 HD2 HIS 31 HD2 HIS 31 2.440 3.071 1.955 216 HE1 HIS 31 HE1 HIS 31 4.723 0.667 4.602 217 H GLN 32 H GLN 32 1.862 5.858 2.225 218 HA GLN 32 HA GLN 32 4.123 5.009 0.975 219 HB2 GLN 32 1HB GLN 32 2.326 7.336 0.318 220 HB3 GLN 32 2HB GLN 32 3.635 6.837 -0.745 221 HG2 GLN 32 1HG GLN 32 1.653 4.807 0.150 222 HG3 GLN 32 2HG GLN 32 1.198 5.962 -1.101 223 HE21 GLN 32 1HE2 GLN 32 1.102 3.520 -1.936 224 HE22 GLN 32 2HE2 GLN 32 2.468 3.077 -2.895 225 H LYS 33 H LYS 33 3.760 7.848 2.922 226 HA LYS 33 HA LYS 33 5.844 9.446 2.046 227 HB2 LYS 33 1HB LYS 33 4.516 9.019 4.683 228 HB3 LYS 33 2HB LYS 33 6.001 9.961 4.644 229 HG2 LYS 33 1HG LYS 33 4.124 11.444 4.519 230 HG3 LYS 33 2HG LYS 33 4.965 11.452 2.967 231 HD2 LYS 33 1HD LYS 33 3.284 9.741 2.184 232 HD3 LYS 33 2HD LYS 33 2.384 10.064 3.668 233 HE2 LYS 33 1HE LYS 33 1.366 11.477 2.141 234 HE3 LYS 33 2HE LYS 33 2.532 12.540 2.928 235 HZ1 LYS 33 3HZ LYS 33 2.302 12.336 0.298 236 HZ2 LYS 33 1HZ LYS 33 3.464 11.134 0.559 237 HZ3 LYS 33 2HZ LYS 33 3.760 12.721 1.063 238 H ILE 34 H ILE 34 5.931 6.672 4.239 239 HA ILE 34 HA ILE 34 8.526 6.800 5.146 240 HB ILE 34 HB ILE 34 8.430 4.486 5.598 241 HG12 ILE 34 1HG1 ILE 34 6.237 4.237 3.528 242 HG13 ILE 34 2HG1 ILE 34 7.918 3.785 3.264 243 HG21 ILE 34 1HG2 ILE 34 6.174 6.154 6.067 244 HG22 ILE 34 2HG2 ILE 34 5.609 4.503 5.820 245 HG23 ILE 34 3HG2 ILE 34 6.808 4.848 7.067 246 HD11 ILE 34 3HD1 ILE 34 7.680 2.177 5.168 247 HD12 ILE 34 1HD1 ILE 34 5.952 2.528 5.153 248 HD13 ILE 34 2HD1 ILE 34 6.718 1.804 3.738 249 H HIS 35 H HIS 35 7.388 6.070 1.959 250 HA HIS 35 HA HIS 35 10.000 5.071 1.116 251 HB2 HIS 35 1HB HIS 35 7.499 5.426 -0.545 252 HB3 HIS 35 2HB HIS 35 8.938 4.508 -0.979 253 HD1 HIS 35 HD1 HIS 35 9.408 2.638 1.222 254 HD2 HIS 35 HD2 HIS 35 5.553 3.674 0.073 255 HE1 HIS 35 HE1 HIS 35 7.937 0.774 2.049 256 H THR 36 H THR 36 8.081 7.933 1.055 257 HA THR 36 HA THR 36 9.365 9.196 -1.159 258 HB THR 36 HB THR 36 8.256 11.231 -0.451 259 HG1 THR 36 HG1 THR 36 7.505 11.507 1.551 260 HG21 THR 36 3HG2 THR 36 6.331 8.987 0.115 261 HG22 THR 36 1HG2 THR 36 6.949 9.315 -1.504 262 HG23 THR 36 2HG2 THR 36 6.006 10.540 -0.655 263 H GLY 37 H GLY 37 11.119 10.509 -1.225 264 HA2 GLY 37 1HA GLY 37 13.186 11.285 -0.564 265 HA3 GLY 37 2HA GLY 37 12.273 12.006 0.753 266 H GLU 38 H GLU 38 13.666 8.869 -0.206 267 HA GLU 38 HA GLU 38 14.070 8.201 2.604 268 HB2 GLU 38 1HB GLU 38 13.204 6.605 0.726 269 HB3 GLU 38 2HB GLU 38 14.907 6.449 0.321 270 HG2 GLU 38 1HG GLU 38 13.740 5.885 3.036 271 HG3 GLU 38 2HG GLU 38 14.065 4.664 1.807 272 H LYS 39 H LYS 39 15.729 9.595 3.201 273 HA LYS 39 HA LYS 39 18.027 10.266 1.905 274 HB2 LYS 39 1HB LYS 39 17.238 10.967 4.231 275 HB3 LYS 39 2HB LYS 39 18.032 9.514 4.824 276 HG2 LYS 39 1HG LYS 39 19.549 11.295 5.135 277 HG3 LYS 39 2HG LYS 39 20.146 10.360 3.761 278 HD2 LYS 39 1HD LYS 39 20.332 12.470 2.901 279 HD3 LYS 39 2HD LYS 39 18.681 12.095 2.404 280 HE2 LYS 39 1HE LYS 39 19.102 13.348 5.068 281 HE3 LYS 39 2HE LYS 39 19.289 14.357 3.635 282 HZ1 LYS 39 3HZ LYS 39 16.881 12.892 4.532 283 HZ2 LYS 39 1HZ LYS 39 17.037 13.477 2.953 284 HZ3 LYS 39 2HZ LYS 39 17.056 14.552 4.258 285 HA PRO 40 HA PRO 40 20.234 6.501 1.233 286 HB2 PRO 40 1HB PRO 40 22.659 7.586 0.673 287 HB3 PRO 40 2HB PRO 40 21.306 7.620 -0.464 288 HG2 PRO 40 1HG PRO 40 22.280 9.762 1.388 289 HG3 PRO 40 2HG PRO 40 21.758 9.896 -0.302 290 HD2 PRO 40 1HD PRO 40 20.154 10.563 1.776 291 HD3 PRO 40 2HD PRO 40 19.522 9.894 0.258 292 H SER 41 H SER 41 20.528 5.334 3.057 293 HA SER 41 HA SER 41 22.043 6.333 5.290 294 HB2 SER 41 1HB SER 41 20.643 3.740 4.684 295 HB3 SER 41 2HB SER 41 21.699 3.889 6.089 296 HG SER 41 HG SER 41 19.202 4.563 5.974 297 H GLY 42 H GLY 42 22.445 3.493 3.159 298 HA2 GLY 42 1HA GLY 42 25.273 3.976 2.919 299 HA3 GLY 42 2HA GLY 42 24.894 2.606 3.951 300 HA PRO 43 HA PRO 43 23.431 1.623 -0.588 301 HB2 PRO 43 1HB PRO 43 24.721 3.048 -2.505 302 HB3 PRO 43 2HB PRO 43 23.187 3.563 -1.795 303 HG2 PRO 43 1HG PRO 43 25.969 4.466 -1.155 304 HG3 PRO 43 2HG PRO 43 24.494 5.432 -1.339 305 HD2 PRO 43 1HD PRO 43 25.495 4.746 1.082 306 HD3 PRO 43 2HD PRO 43 23.754 4.936 0.788 307 H SER 44 H SER 44 26.399 1.909 0.865 308 HA SER 44 HA SER 44 28.362 1.072 -0.786 309 HB2 SER 44 1HB SER 44 28.735 1.383 1.601 310 HB3 SER 44 2HB SER 44 27.764 -0.043 1.966 311 HG SER 44 HG SER 44 30.197 -0.211 1.836 312 H SER 45 H SER 45 28.227 -0.333 -2.408 313 HA SER 45 HA SER 45 26.707 -2.811 -2.051 314 HB2 SER 45 1HB SER 45 26.682 -3.002 -4.435 315 HB3 SER 45 2HB SER 45 26.331 -1.314 -4.062 316 HG SER 45 HG SER 45 28.703 -2.452 -5.073 317 H GLY 46 H GLY 46 27.603 -4.852 -2.611 318 HA2 GLY 46 1HA GLY 46 30.370 -5.104 -1.829 319 HA3 GLY 46 2HA GLY 46 29.260 -6.419 -2.186 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.930 -12.476 9.366 2 HA2 GLY 1 1HA GLY 1 6.315 -10.720 10.732 3 HA3 GLY 1 2HA GLY 1 6.182 -9.865 9.203 4 H SER 2 H SER 2 4.040 -10.393 8.007 5 HA SER 2 HA SER 2 1.869 -10.200 9.990 6 HB2 SER 2 1HB SER 2 2.316 -8.831 7.357 7 HB3 SER 2 2HB SER 2 0.675 -9.049 7.965 8 HG SER 2 HG SER 2 1.836 -8.127 10.007 9 H SER 3 H SER 3 0.050 -11.427 9.748 10 HA SER 3 HA SER 3 0.284 -13.724 7.999 11 HB2 SER 3 1HB SER 3 -0.513 -13.734 10.460 12 HB3 SER 3 2HB SER 3 -2.052 -13.166 9.814 13 HG SER 3 HG SER 3 -0.723 -15.609 9.326 14 H GLY 4 H GLY 4 -1.806 -14.496 6.913 15 HA2 GLY 4 1HA GLY 4 -3.600 -14.129 5.494 16 HA3 GLY 4 2HA GLY 4 -3.612 -12.445 5.999 17 H SER 5 H SER 5 -0.977 -14.321 4.549 18 HA SER 5 HA SER 5 -0.152 -12.294 2.822 19 HB2 SER 5 1HB SER 5 1.249 -13.932 1.776 20 HB3 SER 5 2HB SER 5 1.161 -14.349 3.487 21 HG SER 5 HG SER 5 -0.360 -15.939 2.971 22 H SER 6 H SER 6 -2.302 -15.050 2.233 23 HA SER 6 HA SER 6 -3.482 -13.603 -0.007 24 HB2 SER 6 1HB SER 6 -2.378 -16.411 -0.261 25 HB3 SER 6 2HB SER 6 -3.366 -15.599 -1.475 26 HG SER 6 HG SER 6 -0.755 -14.949 -0.606 27 H GLY 7 H GLY 7 -5.594 -14.296 -0.554 28 HA2 GLY 7 1HA GLY 7 -6.975 -16.487 0.371 29 HA3 GLY 7 2HA GLY 7 -7.077 -15.310 1.672 30 H THR 8 H THR 8 -8.260 -13.408 1.372 31 HA THR 8 HA THR 8 -9.873 -13.283 -1.087 32 HB THR 8 HB THR 8 -11.266 -14.269 0.664 33 HG1 THR 8 HG1 THR 8 -12.874 -13.087 -0.043 34 HG21 THR 8 3HG2 THR 8 -10.040 -13.250 2.584 35 HG22 THR 8 1HG2 THR 8 -11.794 -13.107 2.704 36 HG23 THR 8 2HG2 THR 8 -10.827 -11.716 2.213 37 H GLY 9 H GLY 9 -8.693 -11.556 1.775 38 HA2 GLY 9 1HA GLY 9 -7.518 -9.429 1.252 39 HA3 GLY 9 2HA GLY 9 -8.886 -9.053 0.215 40 H GLU 10 H GLU 10 -7.567 -8.760 3.311 41 HA GLU 10 HA GLU 10 -10.085 -8.293 4.664 42 HB2 GLU 10 1HB GLU 10 -7.243 -7.879 5.610 43 HB3 GLU 10 2HB GLU 10 -8.679 -7.765 6.617 44 HG2 GLU 10 1HG GLU 10 -9.143 -10.098 6.324 45 HG3 GLU 10 2HG GLU 10 -7.835 -10.253 5.152 46 H ARG 11 H ARG 11 -7.612 -6.458 3.065 47 HA ARG 11 HA ARG 11 -9.099 -3.995 3.682 48 HB2 ARG 11 1HB ARG 11 -6.117 -4.423 3.664 49 HB3 ARG 11 2HB ARG 11 -6.833 -2.825 3.499 50 HG2 ARG 11 1HG ARG 11 -7.600 -2.794 5.666 51 HG3 ARG 11 2HG ARG 11 -7.628 -4.554 5.793 52 HD2 ARG 11 1HD ARG 11 -5.004 -3.224 5.376 53 HD3 ARG 11 2HD ARG 11 -5.757 -3.086 6.964 54 HE ARG 11 HE ARG 11 -4.541 -5.414 5.832 55 HH11 ARG 11 1HH1 ARG 11 -6.983 -4.293 8.045 56 HH12 ARG 11 2HH1 ARG 11 -6.962 -5.736 9.004 57 HH21 ARG 11 1HH2 ARG 11 -4.503 -7.318 7.086 58 HH22 ARG 11 2HH2 ARG 11 -5.550 -7.455 8.458 59 HA PRO 12 HA PRO 12 -9.343 -3.629 -0.711 60 HB2 PRO 12 1HB PRO 12 -10.106 -1.027 -0.827 61 HB3 PRO 12 2HB PRO 12 -11.199 -2.327 -0.338 62 HG2 PRO 12 1HG PRO 12 -9.666 -0.400 1.365 63 HG3 PRO 12 2HG PRO 12 -11.343 -0.952 1.532 64 HD2 PRO 12 1HD PRO 12 -9.323 -1.956 3.030 65 HD3 PRO 12 2HD PRO 12 -10.724 -2.930 2.541 66 H TYR 13 H TYR 13 -7.691 -1.054 1.104 67 HA TYR 13 HA TYR 13 -6.106 -0.310 -1.200 68 HB2 TYR 13 1HB TYR 13 -5.759 0.641 1.645 69 HB3 TYR 13 2HB TYR 13 -5.214 1.435 0.172 70 HD1 TYR 13 HD1 TYR 13 -6.782 2.653 -1.241 71 HD2 TYR 13 HD2 TYR 13 -8.074 0.774 2.351 72 HE1 TYR 13 HE1 TYR 13 -8.873 3.945 -1.325 73 HE2 TYR 13 HE2 TYR 13 -10.169 2.060 2.277 74 HH TYR 13 HH TYR 13 -10.949 4.147 -0.458 75 H ILE 14 H ILE 14 -3.922 -0.639 -1.474 76 HA ILE 14 HA ILE 14 -2.420 -2.107 0.535 77 HB ILE 14 HB ILE 14 -2.956 -3.237 -2.211 78 HG12 ILE 14 1HG1 ILE 14 -3.455 -5.272 -0.614 79 HG13 ILE 14 2HG1 ILE 14 -3.680 -4.007 0.590 80 HG21 ILE 14 1HG2 ILE 14 -1.383 -5.012 -0.700 81 HG22 ILE 14 2HG2 ILE 14 -0.935 -4.151 -2.171 82 HG23 ILE 14 3HG2 ILE 14 -0.605 -3.434 -0.594 83 HD11 ILE 14 3HD1 ILE 14 -5.400 -4.834 -1.604 84 HD12 ILE 14 1HD1 ILE 14 -5.787 -3.964 -0.120 85 HD13 ILE 14 2HD1 ILE 14 -5.161 -3.089 -1.518 86 H CYS 15 H CYS 15 -0.587 -1.012 0.702 87 HA CYS 15 HA CYS 15 0.385 0.890 -1.046 88 HB2 CYS 15 1HB CYS 15 1.098 0.431 1.360 89 HB3 CYS 15 2HB CYS 15 2.172 -0.799 0.701 90 H THR 16 H THR 16 0.905 0.621 -3.111 91 HA THR 16 HA THR 16 1.956 -1.903 -4.074 92 HB THR 16 HB THR 16 0.277 -0.705 -5.413 93 HG1 THR 16 HG1 THR 16 1.548 -1.971 -6.672 94 HG21 THR 16 3HG2 THR 16 0.416 1.521 -5.530 95 HG22 THR 16 1HG2 THR 16 1.725 1.297 -6.691 96 HG23 THR 16 2HG2 THR 16 2.091 1.512 -4.979 97 H VAL 17 H VAL 17 3.651 -0.482 -2.264 98 HA VAL 17 HA VAL 17 5.924 0.084 -4.052 99 HB VAL 17 HB VAL 17 5.295 1.454 -1.433 100 HG11 VAL 17 1HG1 VAL 17 7.318 2.847 -2.075 101 HG12 VAL 17 2HG1 VAL 17 7.640 1.212 -1.495 102 HG13 VAL 17 3HG1 VAL 17 7.709 1.566 -3.222 103 HG21 VAL 17 3HG2 VAL 17 5.321 3.494 -2.946 104 HG22 VAL 17 1HG2 VAL 17 5.241 2.365 -4.298 105 HG23 VAL 17 2HG2 VAL 17 3.939 2.411 -3.110 106 H CYS 18 H CYS 18 4.956 -0.950 -0.795 107 HA CYS 18 HA CYS 18 7.450 -2.511 -0.633 108 HB2 CYS 18 1HB CYS 18 7.208 -2.410 1.809 109 HB3 CYS 18 2HB CYS 18 7.281 -0.796 1.109 110 H GLY 19 H GLY 19 3.965 -2.553 -0.075 111 HA2 GLY 19 1HA GLY 19 2.831 -4.625 -0.804 112 HA3 GLY 19 2HA GLY 19 4.114 -5.504 0.016 113 H LYS 20 H LYS 20 2.459 -2.643 1.238 114 HA LYS 20 HA LYS 20 1.534 -4.251 3.515 115 HB2 LYS 20 1HB LYS 20 3.032 -2.258 3.908 116 HB3 LYS 20 2HB LYS 20 1.714 -1.241 3.340 117 HG2 LYS 20 1HG LYS 20 0.414 -1.655 5.197 118 HG3 LYS 20 2HG LYS 20 1.240 -3.170 5.567 119 HD2 LYS 20 1HD LYS 20 3.148 -2.028 6.396 120 HD3 LYS 20 2HD LYS 20 2.585 -0.483 5.755 121 HE2 LYS 20 1HE LYS 20 2.203 -0.504 8.120 122 HE3 LYS 20 2HE LYS 20 0.644 -0.621 7.306 123 HZ1 LYS 20 3HZ LYS 20 1.071 -2.165 9.262 124 HZ2 LYS 20 1HZ LYS 20 2.087 -3.031 8.222 125 HZ3 LYS 20 2HZ LYS 20 0.445 -2.862 7.854 126 H ALA 21 H ALA 21 -0.586 -3.926 4.361 127 HA ALA 21 HA ALA 21 -2.501 -2.958 2.340 128 HB1 ALA 21 3HB ALA 21 -2.308 -5.477 3.567 129 HB2 ALA 21 1HB ALA 21 -3.727 -4.693 4.263 130 HB3 ALA 21 2HB ALA 21 -3.592 -4.882 2.514 131 H PHE 22 H PHE 22 -4.124 -1.591 2.946 132 HA PHE 22 HA PHE 22 -4.317 -0.851 5.779 133 HB2 PHE 22 1HB PHE 22 -3.984 1.060 3.461 134 HB3 PHE 22 2HB PHE 22 -4.484 1.554 5.075 135 HD1 PHE 22 HD2 PHE 22 -1.715 0.308 3.031 136 HD2 PHE 22 HD1 PHE 22 -2.919 1.615 6.899 137 HE1 PHE 22 HE2 PHE 22 0.645 0.504 3.696 138 HE2 PHE 22 HE1 PHE 22 -0.560 1.814 7.570 139 HZ PHE 22 HZ PHE 22 1.226 1.257 5.968 140 H THR 23 H THR 23 -6.342 -0.371 6.490 141 HA THR 23 HA THR 23 -8.545 -1.208 4.895 142 HB THR 23 HB THR 23 -8.535 -1.517 7.330 143 HG1 THR 23 HG1 THR 23 -10.606 -1.519 6.845 144 HG21 THR 23 3HG2 THR 23 -8.850 1.483 7.483 145 HG22 THR 23 1HG2 THR 23 -7.390 0.595 7.914 146 HG23 THR 23 2HG2 THR 23 -8.872 0.356 8.839 147 H ASP 24 H ASP 24 -7.412 1.948 6.044 148 HA ASP 24 HA ASP 24 -9.441 3.254 4.370 149 HB2 ASP 24 1HB ASP 24 -9.109 3.833 6.860 150 HB3 ASP 24 2HB ASP 24 -7.644 4.658 6.334 151 H ARG 25 H ARG 25 -8.814 5.069 3.043 152 HA ARG 25 HA ARG 25 -6.461 4.527 1.527 153 HB2 ARG 25 1HB ARG 25 -8.527 5.399 0.506 154 HB3 ARG 25 2HB ARG 25 -8.331 6.899 1.404 155 HG2 ARG 25 1HG ARG 25 -6.074 7.100 0.223 156 HG3 ARG 25 2HG ARG 25 -6.675 5.840 -0.857 157 HD2 ARG 25 1HD ARG 25 -8.620 7.246 -1.385 158 HD3 ARG 25 2HD ARG 25 -7.981 8.508 -0.332 159 HE ARG 25 HE ARG 25 -5.953 8.159 -2.032 160 HH11 ARG 25 1HH1 ARG 25 -9.371 8.522 -2.583 161 HH12 ARG 25 2HH1 ARG 25 -9.174 9.277 -4.130 162 HH21 ARG 25 1HH2 ARG 25 -5.680 9.153 -4.067 163 HH22 ARG 25 2HH2 ARG 25 -7.074 9.635 -4.973 164 H SER 26 H SER 26 -7.426 7.129 3.736 165 HA SER 26 HA SER 26 -5.225 8.790 3.466 166 HB2 SER 26 1HB SER 26 -6.719 8.235 6.039 167 HB3 SER 26 2HB SER 26 -5.792 9.684 5.651 168 HG SER 26 HG SER 26 -7.489 10.435 4.687 169 H ASN 27 H ASN 27 -5.654 5.986 5.591 170 HA ASN 27 HA ASN 27 -3.209 6.191 6.954 171 HB2 ASN 27 1HB ASN 27 -5.059 3.884 6.388 172 HB3 ASN 27 2HB ASN 27 -3.555 3.653 7.274 173 HD21 ASN 27 1HD2 ASN 27 -5.215 2.925 8.877 174 HD22 ASN 27 2HD2 ASN 27 -5.839 4.118 9.960 175 H LEU 28 H LEU 28 -4.004 5.005 3.793 176 HA LEU 28 HA LEU 28 -1.514 3.588 3.438 177 HB2 LEU 28 1HB LEU 28 -3.478 2.772 2.311 178 HB3 LEU 28 2HB LEU 28 -3.716 4.329 1.520 179 HG LEU 28 HG LEU 28 -1.590 3.954 0.279 180 HD11 LEU 28 1HD1 LEU 28 -1.643 1.069 0.833 181 HD12 LEU 28 2HD1 LEU 28 -1.045 2.079 2.149 182 HD13 LEU 28 3HD1 LEU 28 -0.278 2.153 0.563 183 HD21 LEU 28 3HD2 LEU 28 -2.720 2.955 -1.389 184 HD22 LEU 28 1HD2 LEU 28 -4.088 3.079 -0.284 185 HD23 LEU 28 2HD2 LEU 28 -3.178 1.572 -0.394 186 H ILE 29 H ILE 29 -2.871 6.713 2.589 187 HA ILE 29 HA ILE 29 -0.745 7.481 0.845 188 HB ILE 29 HB ILE 29 -2.709 9.250 2.307 189 HG12 ILE 29 1HG1 ILE 29 -2.875 8.211 -0.526 190 HG13 ILE 29 2HG1 ILE 29 -3.717 7.468 0.830 191 HG21 ILE 29 1HG2 ILE 29 -0.647 10.340 1.390 192 HG22 ILE 29 2HG2 ILE 29 -1.167 9.826 -0.214 193 HG23 ILE 29 3HG2 ILE 29 -2.164 10.941 0.720 194 HD11 ILE 29 3HD1 ILE 29 -5.241 8.879 -0.338 195 HD12 ILE 29 1HD1 ILE 29 -4.872 9.631 1.214 196 HD13 ILE 29 2HD1 ILE 29 -4.121 10.239 -0.262 197 H LYS 30 H LYS 30 -1.382 7.805 4.278 198 HA LYS 30 HA LYS 30 0.759 9.646 4.766 199 HB2 LYS 30 1HB LYS 30 0.094 9.618 6.973 200 HB3 LYS 30 2HB LYS 30 -1.399 9.141 6.175 201 HG2 LYS 30 1HG LYS 30 -0.706 6.747 6.591 202 HG3 LYS 30 2HG LYS 30 0.558 7.396 7.638 203 HD2 LYS 30 1HD LYS 30 -2.312 8.190 8.000 204 HD3 LYS 30 2HD LYS 30 -1.686 6.695 8.700 205 HE2 LYS 30 1HE LYS 30 -0.325 7.799 10.180 206 HE3 LYS 30 2HE LYS 30 -0.172 9.219 9.146 207 HZ1 LYS 30 3HZ LYS 30 -1.604 10.104 10.605 208 HZ2 LYS 30 1HZ LYS 30 -2.157 8.604 11.159 209 HZ3 LYS 30 2HZ LYS 30 -2.782 9.261 9.732 210 H HIS 31 H HIS 31 0.419 6.189 4.632 211 HA HIS 31 HA HIS 31 2.854 5.593 6.019 212 HB2 HIS 31 1HB HIS 31 1.411 3.794 6.103 213 HB3 HIS 31 2HB HIS 31 0.849 4.030 4.451 214 HD1 HIS 31 HD1 HIS 31 3.659 2.499 6.416 215 HD2 HIS 31 HD2 HIS 31 2.273 2.661 2.503 216 HE1 HIS 31 HE1 HIS 31 4.987 0.771 5.160 217 H GLN 32 H GLN 32 1.882 5.706 2.607 218 HA GLN 32 HA GLN 32 4.193 4.828 1.402 219 HB2 GLN 32 1HB GLN 32 2.132 6.849 0.588 220 HB3 GLN 32 2HB GLN 32 3.537 6.564 -0.430 221 HG2 GLN 32 1HG GLN 32 2.831 4.061 -0.195 222 HG3 GLN 32 2HG GLN 32 1.263 4.754 0.214 223 HE21 GLN 32 1HE2 GLN 32 2.305 3.207 -2.140 224 HE22 GLN 32 2HE2 GLN 32 1.842 4.146 -3.513 225 H LYS 33 H LYS 33 3.641 7.789 3.098 226 HA LYS 33 HA LYS 33 5.490 9.528 2.081 227 HB2 LYS 33 1HB LYS 33 4.785 8.984 4.966 228 HB3 LYS 33 2HB LYS 33 5.773 10.346 4.454 229 HG2 LYS 33 1HG LYS 33 3.017 9.879 3.364 230 HG3 LYS 33 2HG LYS 33 3.305 10.783 4.852 231 HD2 LYS 33 1HD LYS 33 4.846 12.267 3.547 232 HD3 LYS 33 2HD LYS 33 4.309 11.437 2.085 233 HE2 LYS 33 1HE LYS 33 3.057 13.482 2.360 234 HE3 LYS 33 2HE LYS 33 1.988 12.100 2.600 235 HZ1 LYS 33 3HZ LYS 33 2.297 12.395 5.015 236 HZ2 LYS 33 1HZ LYS 33 1.558 13.728 4.280 237 HZ3 LYS 33 2HZ LYS 33 3.190 13.800 4.716 238 H ILE 34 H ILE 34 6.072 6.646 3.975 239 HA ILE 34 HA ILE 34 8.757 7.130 4.665 240 HB ILE 34 HB ILE 34 8.943 4.792 5.138 241 HG12 ILE 34 1HG1 ILE 34 6.446 4.480 3.461 242 HG13 ILE 34 2HG1 ILE 34 8.051 3.857 3.091 243 HG21 ILE 34 1HG2 ILE 34 6.782 4.409 6.421 244 HG22 ILE 34 2HG2 ILE 34 7.673 5.885 6.786 245 HG23 ILE 34 3HG2 ILE 34 6.243 5.952 5.757 246 HD11 ILE 34 3HD1 ILE 34 6.047 2.884 5.065 247 HD12 ILE 34 1HD1 ILE 34 6.991 1.986 3.876 248 HD13 ILE 34 2HD1 ILE 34 7.763 2.586 5.345 249 H HIS 35 H HIS 35 7.260 5.841 1.766 250 HA HIS 35 HA HIS 35 9.823 5.142 0.593 251 HB2 HIS 35 1HB HIS 35 7.137 5.126 -0.781 252 HB3 HIS 35 2HB HIS 35 8.584 4.224 -1.223 253 HD1 HIS 35 HD1 HIS 35 9.351 2.561 0.971 254 HD2 HIS 35 HD2 HIS 35 5.346 3.510 0.409 255 HE1 HIS 35 HE1 HIS 35 8.061 0.790 2.206 256 H THR 36 H THR 36 7.527 7.740 0.539 257 HA THR 36 HA THR 36 8.220 8.954 -1.895 258 HB THR 36 HB THR 36 7.257 11.007 -0.988 259 HG1 THR 36 HG1 THR 36 7.787 11.217 1.086 260 HG21 THR 36 3HG2 THR 36 5.558 8.797 0.113 261 HG22 THR 36 1HG2 THR 36 5.857 8.916 -1.621 262 HG23 THR 36 2HG2 THR 36 5.070 10.244 -0.769 263 H GLY 37 H GLY 37 10.255 9.439 -2.439 264 HA2 GLY 37 1HA GLY 37 11.754 11.487 -1.806 265 HA3 GLY 37 2HA GLY 37 12.074 10.491 -0.394 266 H GLU 38 H GLU 38 14.312 10.568 -1.067 267 HA GLU 38 HA GLU 38 14.888 8.507 -3.081 268 HB2 GLU 38 1HB GLU 38 15.997 11.276 -2.891 269 HB3 GLU 38 2HB GLU 38 17.039 9.984 -3.470 270 HG2 GLU 38 1HG GLU 38 15.439 9.476 -5.238 271 HG3 GLU 38 2HG GLU 38 14.385 10.763 -4.656 272 H LYS 39 H LYS 39 15.996 6.894 -2.218 273 HA LYS 39 HA LYS 39 17.471 7.351 0.273 274 HB2 LYS 39 1HB LYS 39 16.393 4.867 -1.051 275 HB3 LYS 39 2HB LYS 39 17.519 4.792 0.298 276 HG2 LYS 39 1HG LYS 39 14.966 6.345 0.492 277 HG3 LYS 39 2HG LYS 39 15.015 4.606 0.793 278 HD2 LYS 39 1HD LYS 39 17.001 5.240 2.375 279 HD3 LYS 39 2HD LYS 39 16.258 6.840 2.338 280 HE2 LYS 39 1HE LYS 39 14.298 6.087 3.341 281 HE3 LYS 39 2HE LYS 39 14.613 4.405 2.916 282 HZ1 LYS 39 3HZ LYS 39 15.083 4.489 5.164 283 HZ2 LYS 39 1HZ LYS 39 15.803 6.018 5.078 284 HZ3 LYS 39 2HZ LYS 39 16.618 4.664 4.475 285 HA PRO 40 HA PRO 40 21.379 7.045 -1.730 286 HB2 PRO 40 1HB PRO 40 22.885 6.233 0.379 287 HB3 PRO 40 2HB PRO 40 22.273 7.883 0.214 288 HG2 PRO 40 1HG PRO 40 21.192 5.616 1.843 289 HG3 PRO 40 2HG PRO 40 21.376 7.323 2.286 290 HD2 PRO 40 1HD PRO 40 19.005 6.265 1.519 291 HD3 PRO 40 2HD PRO 40 19.455 7.948 1.177 292 H SER 41 H SER 41 21.106 5.340 -3.178 293 HA SER 41 HA SER 41 22.583 2.991 -2.654 294 HB2 SER 41 1HB SER 41 20.538 2.403 -1.375 295 HB3 SER 41 2HB SER 41 19.588 2.588 -2.849 296 HG SER 41 HG SER 41 20.892 0.913 -3.766 297 H GLY 42 H GLY 42 23.346 2.257 -4.539 298 HA2 GLY 42 1HA GLY 42 21.848 2.045 -6.923 299 HA3 GLY 42 2HA GLY 42 22.796 3.525 -6.966 300 HA PRO 43 HA PRO 43 26.136 1.175 -8.585 301 HB2 PRO 43 1HB PRO 43 28.189 2.832 -7.944 302 HB3 PRO 43 2HB PRO 43 27.039 3.184 -9.239 303 HG2 PRO 43 1HG PRO 43 27.105 4.218 -6.431 304 HG3 PRO 43 2HG PRO 43 26.783 5.095 -7.938 305 HD2 PRO 43 1HD PRO 43 24.807 4.287 -6.272 306 HD3 PRO 43 2HD PRO 43 24.593 4.382 -8.032 307 H SER 44 H SER 44 28.069 0.034 -7.961 308 HA SER 44 HA SER 44 27.904 -1.088 -5.362 309 HB2 SER 44 1HB SER 44 28.822 -2.106 -7.594 310 HB3 SER 44 2HB SER 44 30.346 -1.383 -7.080 311 HG SER 44 HG SER 44 30.471 -2.758 -5.446 312 H SER 45 H SER 45 28.090 0.855 -4.068 313 HA SER 45 HA SER 45 30.849 1.348 -3.311 314 HB2 SER 45 1HB SER 45 30.328 3.079 -5.037 315 HB3 SER 45 2HB SER 45 29.023 3.661 -4.004 316 HG SER 45 HG SER 45 31.566 3.417 -2.881 317 H GLY 46 H GLY 46 30.842 0.952 -1.203 318 HA2 GLY 46 1HA GLY 46 30.336 1.251 1.035 319 HA3 GLY 46 2HA GLY 46 29.104 2.412 0.561 Start of MODEL 17 1 H1 GLY 1 H GLY 1 8.478 -20.010 13.536 2 HA2 GLY 1 1HA GLY 1 9.082 -20.641 10.811 3 HA3 GLY 1 2HA GLY 1 8.349 -22.002 11.648 4 H SER 2 H SER 2 7.826 -18.484 11.365 5 HA SER 2 HA SER 2 5.110 -18.484 11.933 6 HB2 SER 2 1HB SER 2 6.633 -16.470 11.699 7 HB3 SER 2 2HB SER 2 6.429 -16.618 9.954 8 HG SER 2 HG SER 2 4.878 -15.213 10.625 9 H SER 3 H SER 3 3.261 -18.238 10.540 10 HA SER 3 HA SER 3 3.444 -19.985 8.208 11 HB2 SER 3 1HB SER 3 0.924 -19.891 8.309 12 HB3 SER 3 2HB SER 3 1.694 -20.572 9.742 13 HG SER 3 HG SER 3 0.578 -19.120 10.767 14 H GLY 4 H GLY 4 2.074 -16.806 9.058 15 HA2 GLY 4 1HA GLY 4 2.887 -15.124 7.248 16 HA3 GLY 4 2HA GLY 4 1.933 -16.158 6.196 17 H SER 5 H SER 5 -0.260 -15.951 6.148 18 HA SER 5 HA SER 5 -1.388 -13.817 7.838 19 HB2 SER 5 1HB SER 5 -2.918 -13.296 6.032 20 HB3 SER 5 2HB SER 5 -1.273 -13.299 5.397 21 HG SER 5 HG SER 5 -2.585 -15.725 5.278 22 H SER 6 H SER 6 -3.831 -14.017 8.075 23 HA SER 6 HA SER 6 -4.493 -16.831 8.644 24 HB2 SER 6 1HB SER 6 -4.254 -15.171 10.591 25 HB3 SER 6 2HB SER 6 -5.758 -14.458 10.009 26 HG SER 6 HG SER 6 -6.841 -16.243 10.555 27 H GLY 7 H GLY 7 -7.001 -17.089 8.840 28 HA2 GLY 7 1HA GLY 7 -8.107 -16.878 6.308 29 HA3 GLY 7 2HA GLY 7 -9.037 -17.113 7.780 30 H THR 8 H THR 8 -9.875 -15.283 8.877 31 HA THR 8 HA THR 8 -10.740 -13.211 7.119 32 HB THR 8 HB THR 8 -11.026 -13.277 10.126 33 HG1 THR 8 HG1 THR 8 -12.606 -14.690 9.867 34 HG21 THR 8 3HG2 THR 8 -12.283 -11.448 9.908 35 HG22 THR 8 1HG2 THR 8 -13.233 -12.188 8.620 36 HG23 THR 8 2HG2 THR 8 -11.733 -11.343 8.235 37 H GLY 9 H GLY 9 -9.534 -11.533 6.532 38 HA2 GLY 9 1HA GLY 9 -8.565 -9.548 8.111 39 HA3 GLY 9 2HA GLY 9 -7.246 -10.709 8.080 40 H GLU 10 H GLU 10 -9.392 -8.852 5.947 41 HA GLU 10 HA GLU 10 -7.141 -8.623 4.060 42 HB2 GLU 10 1HB GLU 10 -8.657 -8.718 2.200 43 HB3 GLU 10 2HB GLU 10 -8.952 -10.120 3.219 44 HG2 GLU 10 1HG GLU 10 -11.074 -9.365 2.635 45 HG3 GLU 10 2HG GLU 10 -10.827 -8.757 4.271 46 H ARG 11 H ARG 11 -7.640 -6.740 2.449 47 HA ARG 11 HA ARG 11 -9.067 -4.519 3.634 48 HB2 ARG 11 1HB ARG 11 -6.100 -4.726 3.642 49 HB3 ARG 11 2HB ARG 11 -6.798 -3.163 3.238 50 HG2 ARG 11 1HG ARG 11 -7.904 -3.023 5.337 51 HG3 ARG 11 2HG ARG 11 -7.506 -4.698 5.724 52 HD2 ARG 11 1HD ARG 11 -5.273 -2.826 5.138 53 HD3 ARG 11 2HD ARG 11 -6.105 -2.664 6.684 54 HE ARG 11 HE ARG 11 -4.355 -4.801 5.865 55 HH11 ARG 11 1HH1 ARG 11 -6.902 -3.831 8.030 56 HH12 ARG 11 2HH1 ARG 11 -6.521 -5.028 9.224 57 HH21 ARG 11 1HH2 ARG 11 -3.843 -6.381 7.429 58 HH22 ARG 11 2HH2 ARG 11 -4.781 -6.477 8.881 59 HA PRO 12 HA PRO 12 -9.648 -3.481 -0.596 60 HB2 PRO 12 1HB PRO 12 -10.156 -0.824 -0.372 61 HB3 PRO 12 2HB PRO 12 -11.311 -2.068 0.121 62 HG2 PRO 12 1HG PRO 12 -9.413 -0.473 1.799 63 HG3 PRO 12 2HG PRO 12 -11.107 -0.890 2.116 64 HD2 PRO 12 1HD PRO 12 -9.042 -2.219 3.256 65 HD3 PRO 12 2HD PRO 12 -10.579 -3.010 2.851 66 H TYR 13 H TYR 13 -7.714 -1.032 1.142 67 HA TYR 13 HA TYR 13 -6.195 -0.478 -1.272 68 HB2 TYR 13 1HB TYR 13 -5.664 0.721 1.436 69 HB3 TYR 13 2HB TYR 13 -5.334 1.405 -0.152 70 HD1 TYR 13 HD1 TYR 13 -7.153 2.381 -1.487 71 HD2 TYR 13 HD2 TYR 13 -7.836 0.914 2.449 72 HE1 TYR 13 HE1 TYR 13 -9.289 3.598 -1.411 73 HE2 TYR 13 HE2 TYR 13 -9.975 2.126 2.535 74 HH TYR 13 HH TYR 13 -11.267 3.777 -0.281 75 H ILE 14 H ILE 14 -3.998 -0.824 -1.523 76 HA ILE 14 HA ILE 14 -2.487 -2.137 0.573 77 HB ILE 14 HB ILE 14 -3.071 -3.531 -2.040 78 HG12 ILE 14 1HG1 ILE 14 -3.656 -5.371 -0.250 79 HG13 ILE 14 2HG1 ILE 14 -3.845 -3.983 0.817 80 HG21 ILE 14 1HG2 ILE 14 -0.692 -3.564 -0.583 81 HG22 ILE 14 2HG2 ILE 14 -1.520 -5.060 -0.154 82 HG23 ILE 14 3HG2 ILE 14 -1.185 -4.692 -1.846 83 HD11 ILE 14 3HD1 ILE 14 -5.937 -3.904 0.081 84 HD12 ILE 14 1HD1 ILE 14 -5.269 -3.254 -1.416 85 HD13 ILE 14 2HD1 ILE 14 -5.590 -4.982 -1.270 86 H CYS 15 H CYS 15 -0.607 -1.116 0.583 87 HA CYS 15 HA CYS 15 0.340 0.561 -1.433 88 HB2 CYS 15 1HB CYS 15 1.104 0.763 0.867 89 HB3 CYS 15 2HB CYS 15 1.864 -0.823 0.783 90 H THR 16 H THR 16 1.925 0.350 -3.005 91 HA THR 16 HA THR 16 2.401 -2.407 -3.889 92 HB THR 16 HB THR 16 2.937 -1.446 -6.084 93 HG1 THR 16 HG1 THR 16 2.380 1.023 -4.773 94 HG21 THR 16 3HG2 THR 16 0.563 -0.149 -6.240 95 HG22 THR 16 1HG2 THR 16 0.346 -1.047 -4.739 96 HG23 THR 16 2HG2 THR 16 0.729 -1.904 -6.232 97 H VAL 17 H VAL 17 4.026 0.553 -2.969 98 HA VAL 17 HA VAL 17 6.596 0.107 -3.870 99 HB VAL 17 HB VAL 17 5.837 1.293 -1.197 100 HG11 VAL 17 1HG1 VAL 17 8.120 1.036 -1.047 101 HG12 VAL 17 2HG1 VAL 17 8.364 1.230 -2.784 102 HG13 VAL 17 3HG1 VAL 17 8.001 2.635 -1.780 103 HG21 VAL 17 3HG2 VAL 17 5.017 2.168 -3.651 104 HG22 VAL 17 1HG2 VAL 17 5.200 3.183 -2.221 105 HG23 VAL 17 2HG2 VAL 17 6.500 3.091 -3.409 106 H CYS 18 H CYS 18 5.324 -0.802 -0.660 107 HA CYS 18 HA CYS 18 7.509 -2.753 -0.428 108 HB2 CYS 18 1HB CYS 18 7.034 -2.743 1.983 109 HB3 CYS 18 2HB CYS 18 7.376 -1.120 1.391 110 H GLY 19 H GLY 19 4.004 -2.391 -0.141 111 HA2 GLY 19 1HA GLY 19 2.642 -4.209 -1.057 112 HA3 GLY 19 2HA GLY 19 3.789 -5.330 -0.342 113 H LYS 20 H LYS 20 2.637 -2.474 1.317 114 HA LYS 20 HA LYS 20 1.620 -4.128 3.463 115 HB2 LYS 20 1HB LYS 20 2.960 -1.924 3.683 116 HB3 LYS 20 2HB LYS 20 1.426 -1.130 3.348 117 HG2 LYS 20 1HG LYS 20 0.489 -1.797 5.339 118 HG3 LYS 20 2HG LYS 20 1.576 -3.177 5.511 119 HD2 LYS 20 1HD LYS 20 3.434 -1.406 5.741 120 HD3 LYS 20 2HD LYS 20 2.114 -0.273 6.039 121 HE2 LYS 20 1HE LYS 20 2.785 -0.993 8.169 122 HE3 LYS 20 2HE LYS 20 1.326 -1.918 7.818 123 HZ1 LYS 20 3HZ LYS 20 3.720 -3.229 6.940 124 HZ2 LYS 20 1HZ LYS 20 2.449 -3.823 7.887 125 HZ3 LYS 20 2HZ LYS 20 3.707 -2.953 8.609 126 H ALA 21 H ALA 21 -0.513 -3.657 4.443 127 HA ALA 21 HA ALA 21 -2.517 -2.962 2.396 128 HB1 ALA 21 3HB ALA 21 -2.265 -5.359 4.070 129 HB2 ALA 21 1HB ALA 21 -3.880 -4.650 4.028 130 HB3 ALA 21 2HB ALA 21 -3.087 -5.130 2.527 131 H PHE 22 H PHE 22 -4.044 -1.526 2.963 132 HA PHE 22 HA PHE 22 -4.300 -0.818 5.808 133 HB2 PHE 22 1HB PHE 22 -4.130 1.089 3.467 134 HB3 PHE 22 2HB PHE 22 -4.562 1.562 5.106 135 HD1 PHE 22 HD2 PHE 22 -1.856 0.367 2.936 136 HD2 PHE 22 HD1 PHE 22 -2.908 1.745 6.823 137 HE1 PHE 22 HE2 PHE 22 0.527 0.657 3.474 138 HE2 PHE 22 HE1 PHE 22 -0.527 2.038 7.368 139 HZ PHE 22 HZ PHE 22 1.194 1.493 5.693 140 H THR 23 H THR 23 -6.338 -0.208 6.508 141 HA THR 23 HA THR 23 -8.524 -1.176 4.885 142 HB THR 23 HB THR 23 -8.384 -1.631 7.338 143 HG1 THR 23 HG1 THR 23 -10.442 -1.903 6.926 144 HG21 THR 23 3HG2 THR 23 -9.374 0.370 8.710 145 HG22 THR 23 1HG2 THR 23 -8.663 1.343 7.423 146 HG23 THR 23 2HG2 THR 23 -7.642 0.283 8.395 147 H ASP 24 H ASP 24 -7.138 1.872 5.747 148 HA ASP 24 HA ASP 24 -9.314 3.234 4.304 149 HB2 ASP 24 1HB ASP 24 -8.074 3.882 6.930 150 HB3 ASP 24 2HB ASP 24 -8.476 5.231 5.872 151 H ARG 25 H ARG 25 -8.671 4.360 2.589 152 HA ARG 25 HA ARG 25 -6.180 4.323 1.491 153 HB2 ARG 25 1HB ARG 25 -8.150 5.087 0.271 154 HB3 ARG 25 2HB ARG 25 -8.223 6.539 1.261 155 HG2 ARG 25 1HG ARG 25 -7.271 7.125 -0.838 156 HG3 ARG 25 2HG ARG 25 -5.986 7.175 0.370 157 HD2 ARG 25 1HD ARG 25 -4.943 6.039 -1.333 158 HD3 ARG 25 2HD ARG 25 -5.591 4.702 -0.384 159 HE ARG 25 HE ARG 25 -7.064 4.227 -2.093 160 HH11 ARG 25 1HH1 ARG 25 -5.470 7.263 -2.695 161 HH12 ARG 25 2HH1 ARG 25 -6.032 7.383 -4.330 162 HH21 ARG 25 1HH2 ARG 25 -7.810 4.374 -4.244 163 HH22 ARG 25 2HH2 ARG 25 -7.363 5.740 -5.210 164 H SER 26 H SER 26 -7.501 6.975 3.471 165 HA SER 26 HA SER 26 -5.498 8.775 3.491 166 HB2 SER 26 1HB SER 26 -7.588 8.929 4.848 167 HB3 SER 26 2HB SER 26 -6.869 7.820 6.017 168 HG SER 26 HG SER 26 -6.675 10.304 6.212 169 H ASN 27 H ASN 27 -5.592 5.950 5.666 170 HA ASN 27 HA ASN 27 -3.114 6.332 6.872 171 HB2 ASN 27 1HB ASN 27 -4.816 3.910 6.378 172 HB3 ASN 27 2HB ASN 27 -3.217 3.730 7.093 173 HD21 ASN 27 1HD2 ASN 27 -2.867 4.369 9.172 174 HD22 ASN 27 2HD2 ASN 27 -4.128 4.888 10.233 175 H LEU 28 H LEU 28 -3.948 4.652 3.877 176 HA LEU 28 HA LEU 28 -1.419 3.554 3.344 177 HB2 LEU 28 1HB LEU 28 -3.359 2.786 2.164 178 HB3 LEU 28 2HB LEU 28 -3.647 4.393 1.499 179 HG LEU 28 HG LEU 28 -1.639 4.198 0.128 180 HD11 LEU 28 1HD1 LEU 28 -1.402 1.393 1.202 181 HD12 LEU 28 2HD1 LEU 28 -0.381 2.743 1.695 182 HD13 LEU 28 3HD1 LEU 28 -0.348 2.178 0.025 183 HD21 LEU 28 3HD2 LEU 28 -4.036 2.922 -0.263 184 HD22 LEU 28 1HD2 LEU 28 -2.861 1.640 -0.558 185 HD23 LEU 28 2HD2 LEU 28 -2.777 3.142 -1.479 186 H ILE 29 H ILE 29 -2.855 6.667 2.467 187 HA ILE 29 HA ILE 29 -0.716 7.559 0.848 188 HB ILE 29 HB ILE 29 -2.622 9.293 2.419 189 HG12 ILE 29 1HG1 ILE 29 -3.019 8.394 -0.426 190 HG13 ILE 29 2HG1 ILE 29 -3.646 7.456 0.925 191 HG21 ILE 29 1HG2 ILE 29 -0.834 10.583 1.525 192 HG22 ILE 29 2HG2 ILE 29 -0.944 9.767 -0.034 193 HG23 ILE 29 3HG2 ILE 29 -2.236 10.847 0.488 194 HD11 ILE 29 3HD1 ILE 29 -5.171 9.091 1.514 195 HD12 ILE 29 1HD1 ILE 29 -4.288 10.362 0.668 196 HD13 ILE 29 2HD1 ILE 29 -5.184 9.149 -0.248 197 H LYS 30 H LYS 30 -1.485 8.061 4.275 198 HA LYS 30 HA LYS 30 0.698 9.762 4.836 199 HB2 LYS 30 1HB LYS 30 -1.008 9.822 6.429 200 HB3 LYS 30 2HB LYS 30 -1.126 8.069 6.510 201 HG2 LYS 30 1HG LYS 30 1.151 8.073 7.577 202 HG3 LYS 30 2HG LYS 30 1.006 9.829 7.689 203 HD2 LYS 30 1HD LYS 30 -0.612 9.729 9.300 204 HD3 LYS 30 2HD LYS 30 -1.241 8.183 8.725 205 HE2 LYS 30 1HE LYS 30 -0.232 7.621 10.739 206 HE3 LYS 30 2HE LYS 30 1.009 7.223 9.551 207 HZ1 LYS 30 3HZ LYS 30 2.386 8.657 10.497 208 HZ2 LYS 30 1HZ LYS 30 1.254 8.905 11.730 209 HZ3 LYS 30 2HZ LYS 30 1.265 9.918 10.375 210 H HIS 31 H HIS 31 0.416 6.328 4.513 211 HA HIS 31 HA HIS 31 2.869 5.727 5.899 212 HB2 HIS 31 1HB HIS 31 1.473 3.903 6.013 213 HB3 HIS 31 2HB HIS 31 0.817 4.168 4.400 214 HD1 HIS 31 HD1 HIS 31 3.703 2.577 6.185 215 HD2 HIS 31 HD2 HIS 31 2.178 2.890 2.333 216 HE1 HIS 31 HE1 HIS 31 4.979 0.895 4.817 217 H GLN 32 H GLN 32 1.844 6.233 2.581 218 HA GLN 32 HA GLN 32 4.039 5.234 1.211 219 HB2 GLN 32 1HB GLN 32 2.209 7.552 0.613 220 HB3 GLN 32 2HB GLN 32 3.466 7.038 -0.503 221 HG2 GLN 32 1HG GLN 32 2.427 5.008 -0.939 222 HG3 GLN 32 2HG GLN 32 1.443 5.090 0.521 223 HE21 GLN 32 1HE2 GLN 32 -0.213 4.521 -1.138 224 HE22 GLN 32 2HE2 GLN 32 -1.013 5.824 -1.942 225 H LYS 33 H LYS 33 3.835 7.937 3.294 226 HA LYS 33 HA LYS 33 5.813 9.625 2.291 227 HB2 LYS 33 1HB LYS 33 4.783 9.065 5.053 228 HB3 LYS 33 2HB LYS 33 6.151 10.147 4.826 229 HG2 LYS 33 1HG LYS 33 4.471 11.668 4.775 230 HG3 LYS 33 2HG LYS 33 4.518 11.250 3.060 231 HD2 LYS 33 1HD LYS 33 2.770 9.468 3.643 232 HD3 LYS 33 2HD LYS 33 2.575 10.341 5.164 233 HE2 LYS 33 1HE LYS 33 2.431 11.795 2.552 234 HE3 LYS 33 2HE LYS 33 1.032 10.906 3.153 235 HZ1 LYS 33 3HZ LYS 33 0.674 12.395 4.782 236 HZ2 LYS 33 1HZ LYS 33 1.533 13.441 3.766 237 HZ3 LYS 33 2HZ LYS 33 2.319 12.681 5.056 238 H ILE 34 H ILE 34 6.066 6.633 4.088 239 HA ILE 34 HA ILE 34 8.800 6.856 4.793 240 HB ILE 34 HB ILE 34 8.696 4.651 5.510 241 HG12 ILE 34 1HG1 ILE 34 6.477 4.178 3.507 242 HG13 ILE 34 2HG1 ILE 34 8.147 3.648 3.338 243 HG21 ILE 34 1HG2 ILE 34 7.085 4.973 7.003 244 HG22 ILE 34 2HG2 ILE 34 6.505 6.316 6.020 245 HG23 ILE 34 3HG2 ILE 34 5.839 4.700 5.785 246 HD11 ILE 34 3HD1 ILE 34 6.736 1.814 4.022 247 HD12 ILE 34 1HD1 ILE 34 7.875 2.217 5.307 248 HD13 ILE 34 2HD1 ILE 34 6.190 2.727 5.428 249 H HIS 35 H HIS 35 7.258 6.304 1.820 250 HA HIS 35 HA HIS 35 9.596 4.973 0.663 251 HB2 HIS 35 1HB HIS 35 6.916 5.594 -0.596 252 HB3 HIS 35 2HB HIS 35 8.199 4.624 -1.314 253 HD1 HIS 35 HD1 HIS 35 8.916 2.684 0.832 254 HD2 HIS 35 HD2 HIS 35 4.991 3.842 0.114 255 HE1 HIS 35 HE1 HIS 35 7.488 0.840 1.773 256 H THR 36 H THR 36 7.792 7.973 0.570 257 HA THR 36 HA THR 36 9.276 9.052 -1.650 258 HB THR 36 HB THR 36 6.879 9.682 -0.984 259 HG1 THR 36 HG1 THR 36 7.491 12.029 -1.484 260 HG21 THR 36 3HG2 THR 36 8.287 11.629 0.831 261 HG22 THR 36 1HG2 THR 36 7.559 10.136 1.421 262 HG23 THR 36 2HG2 THR 36 6.553 11.363 0.652 263 H GLY 37 H GLY 37 9.586 8.977 1.800 264 HA2 GLY 37 1HA GLY 37 11.470 11.190 1.870 265 HA3 GLY 37 2HA GLY 37 10.945 10.221 3.239 266 H GLU 38 H GLU 38 13.617 11.045 1.776 267 HA GLU 38 HA GLU 38 14.815 8.425 1.411 268 HB2 GLU 38 1HB GLU 38 16.033 11.187 1.237 269 HB3 GLU 38 2HB GLU 38 16.845 9.689 0.807 270 HG2 GLU 38 1HG GLU 38 16.173 10.351 -1.253 271 HG3 GLU 38 2HG GLU 38 14.755 9.418 -0.778 272 H LYS 39 H LYS 39 16.065 7.386 2.843 273 HA LYS 39 HA LYS 39 16.911 8.832 5.264 274 HB2 LYS 39 1HB LYS 39 15.702 6.066 5.110 275 HB3 LYS 39 2HB LYS 39 16.462 6.734 6.549 276 HG2 LYS 39 1HG LYS 39 14.792 8.551 6.546 277 HG3 LYS 39 2HG LYS 39 14.003 7.786 5.165 278 HD2 LYS 39 1HD LYS 39 13.833 5.703 6.623 279 HD3 LYS 39 2HD LYS 39 14.271 6.749 7.976 280 HE2 LYS 39 1HE LYS 39 12.342 8.186 7.458 281 HE3 LYS 39 2HE LYS 39 11.898 7.097 6.144 282 HZ1 LYS 39 3HZ LYS 39 10.657 6.100 7.691 283 HZ2 LYS 39 1HZ LYS 39 11.483 6.819 8.981 284 HZ3 LYS 39 2HZ LYS 39 12.105 5.426 8.250 285 HA PRO 40 HA PRO 40 20.486 6.672 3.205 286 HB2 PRO 40 1HB PRO 40 22.146 8.818 3.290 287 HB3 PRO 40 2HB PRO 40 21.017 8.530 1.961 288 HG2 PRO 40 1HG PRO 40 20.740 10.351 4.322 289 HG3 PRO 40 2HG PRO 40 20.332 10.652 2.623 290 HD2 PRO 40 1HD PRO 40 18.467 10.005 4.476 291 HD3 PRO 40 2HD PRO 40 18.328 9.523 2.773 292 H SER 41 H SER 41 20.748 5.386 5.061 293 HA SER 41 HA SER 41 22.861 6.261 6.819 294 HB2 SER 41 1HB SER 41 20.179 5.498 7.999 295 HB3 SER 41 2HB SER 41 21.648 5.859 8.906 296 HG SER 41 HG SER 41 20.620 7.756 8.899 297 H GLY 42 H GLY 42 24.212 4.598 6.674 298 HA2 GLY 42 1HA GLY 42 25.028 2.455 6.837 299 HA3 GLY 42 2HA GLY 42 23.508 2.008 7.598 300 HA PRO 43 HA PRO 43 23.923 0.621 3.000 301 HB2 PRO 43 1HB PRO 43 25.175 -1.772 3.274 302 HB3 PRO 43 2HB PRO 43 26.044 -0.262 2.978 303 HG2 PRO 43 1HG PRO 43 25.606 -1.720 5.555 304 HG3 PRO 43 2HG PRO 43 27.080 -0.946 4.944 305 HD2 PRO 43 1HD PRO 43 25.468 0.229 6.776 306 HD3 PRO 43 2HD PRO 43 26.385 1.160 5.574 307 H SER 44 H SER 44 21.651 0.441 3.406 308 HA SER 44 HA SER 44 20.824 -2.293 4.124 309 HB2 SER 44 1HB SER 44 19.315 0.261 4.731 310 HB3 SER 44 2HB SER 44 18.769 -1.374 5.104 311 HG SER 44 HG SER 44 21.038 -1.344 6.212 312 H SER 45 H SER 45 19.944 0.652 2.350 313 HA SER 45 HA SER 45 17.786 -0.097 0.912 314 HB2 SER 45 1HB SER 45 20.211 1.475 0.072 315 HB3 SER 45 2HB SER 45 18.868 1.214 -1.041 316 HG SER 45 HG SER 45 18.986 2.735 1.294 317 H GLY 46 H GLY 46 17.508 -2.172 0.267 318 HA2 GLY 46 1HA GLY 46 19.581 -3.359 -1.461 319 HA3 GLY 46 2HA GLY 46 18.379 -4.268 -0.556 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.107 -24.416 13.183 2 HA2 GLY 1 1HA GLY 1 1.040 -26.090 14.454 3 HA3 GLY 1 2HA GLY 1 1.593 -24.536 15.060 4 H SER 2 H SER 2 0.490 -22.751 14.520 5 HA SER 2 HA SER 2 -1.295 -22.816 12.203 6 HB2 SER 2 1HB SER 2 -3.234 -22.212 13.400 7 HB3 SER 2 2HB SER 2 -2.511 -23.495 14.370 8 HG SER 2 HG SER 2 -1.583 -21.841 15.680 9 H SER 3 H SER 3 -0.897 -21.077 11.026 10 HA SER 3 HA SER 3 -0.673 -18.469 12.253 11 HB2 SER 3 1HB SER 3 1.657 -19.808 10.897 12 HB3 SER 3 2HB SER 3 1.502 -18.051 10.907 13 HG SER 3 HG SER 3 2.112 -18.040 12.913 14 H GLY 4 H GLY 4 -1.305 -16.844 10.903 15 HA2 GLY 4 1HA GLY 4 -1.264 -17.027 8.066 16 HA3 GLY 4 2HA GLY 4 -2.866 -17.403 8.682 17 H SER 5 H SER 5 -0.320 -14.936 8.785 18 HA SER 5 HA SER 5 -2.440 -12.907 9.058 19 HB2 SER 5 1HB SER 5 0.339 -12.868 10.258 20 HB3 SER 5 2HB SER 5 -0.785 -11.510 10.291 21 HG SER 5 HG SER 5 -0.860 -12.778 12.210 22 H SER 6 H SER 6 -1.978 -10.835 8.085 23 HA SER 6 HA SER 6 -1.570 -9.697 6.132 24 HB2 SER 6 1HB SER 6 0.857 -9.244 5.794 25 HB3 SER 6 2HB SER 6 0.348 -9.049 7.471 26 HG SER 6 HG SER 6 2.158 -10.256 7.591 27 H GLY 7 H GLY 7 -2.388 -12.276 5.540 28 HA2 GLY 7 1HA GLY 7 -0.561 -13.178 3.418 29 HA3 GLY 7 2HA GLY 7 -1.866 -14.127 4.113 30 H THR 8 H THR 8 -4.081 -13.447 3.618 31 HA THR 8 HA THR 8 -4.498 -13.141 0.874 32 HB THR 8 HB THR 8 -6.871 -12.783 1.415 33 HG1 THR 8 HG1 THR 8 -6.921 -11.563 3.225 34 HG21 THR 8 3HG2 THR 8 -6.322 -14.824 3.416 35 HG22 THR 8 1HG2 THR 8 -5.356 -15.032 1.956 36 HG23 THR 8 2HG2 THR 8 -7.115 -14.966 1.847 37 H GLY 9 H GLY 9 -5.944 -11.368 -0.069 38 HA2 GLY 9 1HA GLY 9 -5.009 -8.737 0.903 39 HA3 GLY 9 2HA GLY 9 -5.063 -9.145 -0.806 40 H GLU 10 H GLU 10 -7.293 -9.313 1.976 41 HA GLU 10 HA GLU 10 -9.558 -8.750 0.301 42 HB2 GLU 10 1HB GLU 10 -9.224 -9.036 3.285 43 HB3 GLU 10 2HB GLU 10 -10.765 -8.643 2.536 44 HG2 GLU 10 1HG GLU 10 -9.185 -11.082 1.790 45 HG3 GLU 10 2HG GLU 10 -10.358 -11.070 3.105 46 H ARG 11 H ARG 11 -7.395 -6.922 2.315 47 HA ARG 11 HA ARG 11 -8.869 -4.664 2.896 48 HB2 ARG 11 1HB ARG 11 -5.951 -4.862 2.132 49 HB3 ARG 11 2HB ARG 11 -6.695 -3.442 2.854 50 HG2 ARG 11 1HG ARG 11 -6.810 -6.118 4.196 51 HG3 ARG 11 2HG ARG 11 -5.421 -5.044 4.382 52 HD2 ARG 11 1HD ARG 11 -7.038 -3.258 5.105 53 HD3 ARG 11 2HD ARG 11 -8.286 -4.503 5.137 54 HE ARG 11 HE ARG 11 -6.289 -4.045 7.106 55 HH11 ARG 11 1HH1 ARG 11 -8.125 -6.558 5.548 56 HH12 ARG 11 2HH1 ARG 11 -8.031 -7.643 6.895 57 HH21 ARG 11 1HH2 ARG 11 -6.157 -5.464 8.887 58 HH22 ARG 11 2HH2 ARG 11 -6.911 -7.019 8.794 59 HA PRO 12 HA PRO 12 -9.822 -2.787 -0.969 60 HB2 PRO 12 1HB PRO 12 -10.165 -0.227 -0.133 61 HB3 PRO 12 2HB PRO 12 -11.336 -1.510 0.195 62 HG2 PRO 12 1HG PRO 12 -9.212 -0.382 1.978 63 HG3 PRO 12 2HG PRO 12 -10.891 -0.802 2.365 64 HD2 PRO 12 1HD PRO 12 -8.805 -2.415 2.984 65 HD3 PRO 12 2HD PRO 12 -10.412 -3.048 2.574 66 H TYR 13 H TYR 13 -7.486 -1.043 1.077 67 HA TYR 13 HA TYR 13 -6.054 -0.251 -1.373 68 HB2 TYR 13 1HB TYR 13 -5.661 1.120 1.266 69 HB3 TYR 13 2HB TYR 13 -5.397 1.744 -0.358 70 HD1 TYR 13 HD1 TYR 13 -7.261 2.584 -1.688 71 HD2 TYR 13 HD2 TYR 13 -7.864 1.145 2.270 72 HE1 TYR 13 HE1 TYR 13 -9.478 3.649 -1.645 73 HE2 TYR 13 HE2 TYR 13 -10.083 2.204 2.323 74 HH TYR 13 HH TYR 13 -11.330 4.000 -0.479 75 H ILE 14 H ILE 14 -3.915 -0.706 -1.574 76 HA ILE 14 HA ILE 14 -2.396 -1.693 0.693 77 HB ILE 14 HB ILE 14 -2.980 -3.435 -1.701 78 HG12 ILE 14 1HG1 ILE 14 -3.426 -5.014 0.397 79 HG13 ILE 14 2HG1 ILE 14 -3.717 -3.469 1.189 80 HG21 ILE 14 1HG2 ILE 14 -1.430 -5.053 -0.503 81 HG22 ILE 14 2HG2 ILE 14 -0.672 -3.697 -1.335 82 HG23 ILE 14 3HG2 ILE 14 -0.863 -3.661 0.418 83 HD11 ILE 14 3HD1 ILE 14 -5.738 -3.349 0.307 84 HD12 ILE 14 1HD1 ILE 14 -5.091 -3.551 -1.321 85 HD13 ILE 14 2HD1 ILE 14 -5.500 -4.967 -0.353 86 H CYS 15 H CYS 15 -0.441 -0.826 0.574 87 HA CYS 15 HA CYS 15 0.489 0.709 -1.549 88 HB2 CYS 15 1HB CYS 15 1.402 1.017 0.654 89 HB3 CYS 15 2HB CYS 15 1.998 -0.639 0.695 90 H THR 16 H THR 16 1.850 0.355 -3.256 91 HA THR 16 HA THR 16 2.208 -2.446 -4.028 92 HB THR 16 HB THR 16 1.124 -1.135 -5.716 93 HG1 THR 16 HG1 THR 16 2.477 -2.502 -6.742 94 HG21 THR 16 3HG2 THR 16 2.725 0.749 -6.736 95 HG22 THR 16 1HG2 THR 16 3.238 0.835 -5.051 96 HG23 THR 16 2HG2 THR 16 1.544 1.090 -5.472 97 H VAL 17 H VAL 17 4.000 0.391 -3.139 98 HA VAL 17 HA VAL 17 6.505 -0.185 -4.213 99 HB VAL 17 HB VAL 17 5.921 1.136 -1.558 100 HG11 VAL 17 1HG1 VAL 17 8.110 1.413 -1.316 101 HG12 VAL 17 2HG1 VAL 17 8.370 0.394 -2.734 102 HG13 VAL 17 3HG1 VAL 17 8.227 2.143 -2.917 103 HG21 VAL 17 3HG2 VAL 17 5.479 3.083 -2.631 104 HG22 VAL 17 1HG2 VAL 17 6.573 2.722 -3.967 105 HG23 VAL 17 2HG2 VAL 17 4.971 1.986 -3.915 106 H CYS 18 H CYS 18 5.459 -0.819 -0.857 107 HA CYS 18 HA CYS 18 7.506 -2.912 -0.684 108 HB2 CYS 18 1HB CYS 18 7.170 -2.770 1.752 109 HB3 CYS 18 2HB CYS 18 7.590 -1.206 1.061 110 H GLY 19 H GLY 19 4.061 -2.337 -0.054 111 HA2 GLY 19 1HA GLY 19 2.551 -4.130 -0.859 112 HA3 GLY 19 2HA GLY 19 3.673 -5.267 -0.127 113 H LYS 20 H LYS 20 2.756 -2.247 1.384 114 HA LYS 20 HA LYS 20 1.803 -3.682 3.703 115 HB2 LYS 20 1HB LYS 20 3.177 -1.446 3.576 116 HB3 LYS 20 2HB LYS 20 1.589 -0.710 3.405 117 HG2 LYS 20 1HG LYS 20 1.797 -0.602 5.659 118 HG3 LYS 20 2HG LYS 20 1.073 -2.207 5.527 119 HD2 LYS 20 1HD LYS 20 4.051 -1.789 5.556 120 HD3 LYS 20 2HD LYS 20 3.112 -1.973 7.040 121 HE2 LYS 20 1HE LYS 20 3.672 -4.152 6.690 122 HE3 LYS 20 2HE LYS 20 2.183 -4.091 5.748 123 HZ1 LYS 20 3HZ LYS 20 3.730 -5.113 4.359 124 HZ2 LYS 20 1HZ LYS 20 4.973 -4.044 4.774 125 HZ3 LYS 20 2HZ LYS 20 3.693 -3.516 3.804 126 H ALA 21 H ALA 21 -0.267 -3.818 4.442 127 HA ALA 21 HA ALA 21 -2.363 -2.959 2.571 128 HB1 ALA 21 3HB ALA 21 -1.898 -5.403 3.837 129 HB2 ALA 21 1HB ALA 21 -3.299 -4.711 4.656 130 HB3 ALA 21 2HB ALA 21 -3.321 -4.935 2.906 131 H PHE 22 H PHE 22 -3.962 -1.597 3.173 132 HA PHE 22 HA PHE 22 -4.132 -0.808 5.997 133 HB2 PHE 22 1HB PHE 22 -3.920 1.038 3.615 134 HB3 PHE 22 2HB PHE 22 -4.465 1.569 5.203 135 HD1 PHE 22 HD1 PHE 22 -2.909 1.511 7.124 136 HD2 PHE 22 HD2 PHE 22 -1.626 0.683 3.150 137 HE1 PHE 22 HE1 PHE 22 -0.572 1.872 7.806 138 HE2 PHE 22 HE2 PHE 22 0.712 1.041 3.827 139 HZ PHE 22 HZ PHE 22 1.242 1.636 6.157 140 H THR 23 H THR 23 -6.161 -0.334 6.742 141 HA THR 23 HA THR 23 -8.363 -1.324 5.203 142 HB THR 23 HB THR 23 -9.744 -0.732 7.157 143 HG1 THR 23 HG1 THR 23 -9.021 0.611 8.639 144 HG21 THR 23 3HG2 THR 23 -7.584 -1.907 8.660 145 HG22 THR 23 1HG2 THR 23 -7.675 -2.618 7.049 146 HG23 THR 23 2HG2 THR 23 -9.088 -2.641 8.104 147 H ASP 24 H ASP 24 -7.315 1.869 6.315 148 HA ASP 24 HA ASP 24 -9.454 3.091 4.712 149 HB2 ASP 24 1HB ASP 24 -9.248 3.701 7.149 150 HB3 ASP 24 2HB ASP 24 -7.698 4.445 6.765 151 H ARG 25 H ARG 25 -9.011 4.509 3.078 152 HA ARG 25 HA ARG 25 -6.675 4.234 1.615 153 HB2 ARG 25 1HB ARG 25 -8.741 5.078 0.637 154 HB3 ARG 25 2HB ARG 25 -8.635 6.535 1.617 155 HG2 ARG 25 1HG ARG 25 -6.412 6.959 0.447 156 HG3 ARG 25 2HG ARG 25 -6.914 5.710 -0.694 157 HD2 ARG 25 1HD ARG 25 -9.126 7.157 -0.747 158 HD3 ARG 25 2HD ARG 25 -8.020 8.433 -0.238 159 HE ARG 25 HE ARG 25 -7.206 8.488 -2.364 160 HH11 ARG 25 1HH1 ARG 25 -8.751 5.411 -1.852 161 HH12 ARG 25 2HH1 ARG 25 -8.551 4.890 -3.492 162 HH21 ARG 25 1HH2 ARG 25 -6.936 7.814 -4.526 163 HH22 ARG 25 2HH2 ARG 25 -7.518 6.258 -5.012 164 H SER 26 H SER 26 -7.637 7.117 3.488 165 HA SER 26 HA SER 26 -5.474 8.696 3.275 166 HB2 SER 26 1HB SER 26 -7.566 8.938 4.797 167 HB3 SER 26 2HB SER 26 -6.560 8.181 6.032 168 HG SER 26 HG SER 26 -6.175 10.306 6.274 169 H ASN 27 H ASN 27 -5.715 6.058 5.660 170 HA ASN 27 HA ASN 27 -3.271 6.241 6.866 171 HB2 ASN 27 1HB ASN 27 -5.082 3.964 6.234 172 HB3 ASN 27 2HB ASN 27 -3.455 3.577 6.784 173 HD21 ASN 27 1HD2 ASN 27 -6.323 3.526 7.927 174 HD22 ASN 27 2HD2 ASN 27 -6.118 4.181 9.512 175 H LEU 28 H LEU 28 -3.977 4.388 3.905 176 HA LEU 28 HA LEU 28 -1.411 3.468 3.389 177 HB2 LEU 28 1HB LEU 28 -3.210 2.588 2.135 178 HB3 LEU 28 2HB LEU 28 -3.682 4.184 1.557 179 HG LEU 28 HG LEU 28 -1.628 4.265 0.191 180 HD11 LEU 28 1HD1 LEU 28 -0.190 2.408 -0.047 181 HD12 LEU 28 2HD1 LEU 28 -1.254 1.366 0.897 182 HD13 LEU 28 3HD1 LEU 28 -0.367 2.669 1.688 183 HD21 LEU 28 3HD2 LEU 28 -2.516 3.044 -1.545 184 HD22 LEU 28 1HD2 LEU 28 -3.920 3.207 -0.489 185 HD23 LEU 28 2HD2 LEU 28 -2.996 1.704 -0.502 186 H ILE 29 H ILE 29 -2.968 6.388 2.058 187 HA ILE 29 HA ILE 29 -0.858 7.390 0.600 188 HB ILE 29 HB ILE 29 -2.823 9.018 2.216 189 HG12 ILE 29 1HG1 ILE 29 -3.057 8.335 -0.704 190 HG13 ILE 29 2HG1 ILE 29 -3.694 7.256 0.532 191 HG21 ILE 29 1HG2 ILE 29 -0.818 9.696 0.130 192 HG22 ILE 29 2HG2 ILE 29 -2.352 10.564 0.131 193 HG23 ILE 29 3HG2 ILE 29 -1.316 10.604 1.557 194 HD11 ILE 29 3HD1 ILE 29 -5.283 8.814 1.231 195 HD12 ILE 29 1HD1 ILE 29 -4.462 10.148 0.423 196 HD13 ILE 29 2HD1 ILE 29 -5.296 8.920 -0.529 197 H LYS 30 H LYS 30 -1.518 7.810 4.055 198 HA LYS 30 HA LYS 30 0.674 9.547 4.546 199 HB2 LYS 30 1HB LYS 30 -1.051 9.618 6.144 200 HB3 LYS 30 2HB LYS 30 -1.094 7.867 6.305 201 HG2 LYS 30 1HG LYS 30 1.047 7.895 7.447 202 HG3 LYS 30 2HG LYS 30 1.153 9.644 7.237 203 HD2 LYS 30 1HD LYS 30 0.322 9.546 9.368 204 HD3 LYS 30 2HD LYS 30 -1.187 9.589 8.453 205 HE2 LYS 30 1HE LYS 30 -1.155 7.067 8.514 206 HE3 LYS 30 2HE LYS 30 0.175 7.192 9.666 207 HZ1 LYS 30 3HZ LYS 30 -1.221 7.697 11.305 208 HZ2 LYS 30 1HZ LYS 30 -2.472 7.191 10.284 209 HZ3 LYS 30 2HZ LYS 30 -2.066 8.830 10.376 210 H HIS 31 H HIS 31 0.330 6.098 4.342 211 HA HIS 31 HA HIS 31 2.770 5.463 5.699 212 HB2 HIS 31 1HB HIS 31 1.337 3.658 5.739 213 HB3 HIS 31 2HB HIS 31 0.752 3.949 4.104 214 HD1 HIS 31 HD1 HIS 31 3.356 2.130 6.018 215 HD2 HIS 31 HD2 HIS 31 2.379 2.867 2.048 216 HE1 HIS 31 HE1 HIS 31 4.723 0.501 4.676 217 H GLN 32 H GLN 32 1.797 5.850 2.324 218 HA GLN 32 HA GLN 32 4.046 4.932 1.026 219 HB2 GLN 32 1HB GLN 32 1.991 6.993 0.415 220 HB3 GLN 32 2HB GLN 32 3.443 6.981 -0.578 221 HG2 GLN 32 1HG GLN 32 3.038 4.668 -1.184 222 HG3 GLN 32 2HG GLN 32 1.616 4.629 -0.143 223 HE21 GLN 32 1HE2 GLN 32 -0.146 4.624 -1.327 224 HE22 GLN 32 2HE2 GLN 32 -0.433 5.579 -2.737 225 H LYS 33 H LYS 33 3.691 7.740 2.993 226 HA LYS 33 HA LYS 33 5.752 9.356 2.018 227 HB2 LYS 33 1HB LYS 33 4.401 9.041 4.662 228 HB3 LYS 33 2HB LYS 33 5.870 10.005 4.583 229 HG2 LYS 33 1HG LYS 33 3.801 11.336 4.379 230 HG3 LYS 33 2HG LYS 33 4.876 11.495 2.988 231 HD2 LYS 33 1HD LYS 33 3.510 9.872 1.757 232 HD3 LYS 33 2HD LYS 33 2.431 9.731 3.147 233 HE2 LYS 33 1HE LYS 33 1.327 11.243 1.773 234 HE3 LYS 33 2HE LYS 33 2.168 12.286 2.918 235 HZ1 LYS 33 3HZ LYS 33 2.340 12.975 0.544 236 HZ2 LYS 33 1HZ LYS 33 3.255 11.583 0.250 237 HZ3 LYS 33 2HZ LYS 33 3.830 12.763 1.316 238 H ILE 34 H ILE 34 5.830 6.486 3.999 239 HA ILE 34 HA ILE 34 8.408 6.718 5.069 240 HB ILE 34 HB ILE 34 8.308 4.432 5.588 241 HG12 ILE 34 1HG1 ILE 34 6.267 4.103 3.377 242 HG13 ILE 34 2HG1 ILE 34 7.956 3.617 3.284 243 HG21 ILE 34 1HG2 ILE 34 6.023 6.063 5.935 244 HG22 ILE 34 2HG2 ILE 34 5.463 4.419 5.637 245 HG23 ILE 34 3HG2 ILE 34 6.589 4.741 6.955 246 HD11 ILE 34 3HD1 ILE 34 6.405 1.751 3.732 247 HD12 ILE 34 1HD1 ILE 34 7.626 1.963 4.987 248 HD13 ILE 34 2HD1 ILE 34 5.975 2.518 5.261 249 H HIS 35 H HIS 35 7.381 6.186 1.859 250 HA HIS 35 HA HIS 35 9.946 5.033 1.055 251 HB2 HIS 35 1HB HIS 35 7.546 5.627 -0.683 252 HB3 HIS 35 2HB HIS 35 8.929 4.613 -1.087 253 HD1 HIS 35 HD1 HIS 35 9.160 2.612 1.007 254 HD2 HIS 35 HD2 HIS 35 5.437 4.045 -0.154 255 HE1 HIS 35 HE1 HIS 35 7.511 0.852 1.718 256 H THR 36 H THR 36 9.403 7.891 1.944 257 HA THR 36 HA THR 36 11.197 9.152 0.153 258 HB THR 36 HB THR 36 9.354 9.354 -1.364 259 HG1 THR 36 HG1 THR 36 9.316 11.890 -0.141 260 HG21 THR 36 3HG2 THR 36 7.568 8.979 0.334 261 HG22 THR 36 1HG2 THR 36 7.219 10.300 -0.780 262 HG23 THR 36 2HG2 THR 36 7.774 10.650 0.857 263 H GLY 37 H GLY 37 12.353 10.265 1.582 264 HA2 GLY 37 1HA GLY 37 10.952 12.101 3.390 265 HA3 GLY 37 2HA GLY 37 12.063 10.935 4.093 266 H GLU 38 H GLU 38 13.407 12.568 4.902 267 HA GLU 38 HA GLU 38 14.813 14.179 2.883 268 HB2 GLU 38 1HB GLU 38 13.762 15.500 4.635 269 HB3 GLU 38 2HB GLU 38 14.580 14.557 5.872 270 HG2 GLU 38 1HG GLU 38 16.752 15.361 4.820 271 HG3 GLU 38 2HG GLU 38 15.760 16.527 3.947 272 H LYS 39 H LYS 39 15.403 12.284 5.836 273 HA LYS 39 HA LYS 39 18.240 12.191 5.370 274 HB2 LYS 39 1HB LYS 39 17.093 12.148 7.643 275 HB3 LYS 39 2HB LYS 39 16.669 10.478 7.293 276 HG2 LYS 39 1HG LYS 39 19.031 9.906 7.108 277 HG3 LYS 39 2HG LYS 39 19.467 11.585 7.434 278 HD2 LYS 39 1HD LYS 39 19.704 10.454 9.491 279 HD3 LYS 39 2HD LYS 39 18.185 11.344 9.612 280 HE2 LYS 39 1HE LYS 39 17.011 9.243 8.907 281 HE3 LYS 39 2HE LYS 39 18.555 8.405 9.057 282 HZ1 LYS 39 3HZ LYS 39 18.622 8.873 11.368 283 HZ2 LYS 39 1HZ LYS 39 17.082 8.252 11.041 284 HZ3 LYS 39 2HZ LYS 39 17.292 9.914 11.276 285 HA PRO 40 HA PRO 40 18.289 8.677 2.705 286 HB2 PRO 40 1HB PRO 40 20.880 7.948 3.063 287 HB3 PRO 40 2HB PRO 40 20.401 9.357 2.108 288 HG2 PRO 40 1HG PRO 40 21.383 9.228 4.933 289 HG3 PRO 40 2HG PRO 40 21.815 10.373 3.650 290 HD2 PRO 40 1HD PRO 40 20.045 10.978 5.607 291 HD3 PRO 40 2HD PRO 40 19.912 11.636 3.964 292 H SER 41 H SER 41 18.333 6.412 2.768 293 HA SER 41 HA SER 41 17.794 5.275 5.353 294 HB2 SER 41 1HB SER 41 16.726 4.713 3.015 295 HB3 SER 41 2HB SER 41 18.092 3.605 2.884 296 HG SER 41 HG SER 41 17.290 2.399 4.453 297 H GLY 42 H GLY 42 20.250 4.757 2.829 298 HA2 GLY 42 1HA GLY 42 22.576 4.566 3.699 299 HA3 GLY 42 2HA GLY 42 21.921 3.447 4.886 300 HA PRO 43 HA PRO 43 23.118 0.214 2.146 301 HB2 PRO 43 1HB PRO 43 21.677 -1.796 3.266 302 HB3 PRO 43 2HB PRO 43 23.142 -1.138 4.004 303 HG2 PRO 43 1HG PRO 43 20.275 -0.548 4.631 304 HG3 PRO 43 2HG PRO 43 21.631 -0.814 5.742 305 HD2 PRO 43 1HD PRO 43 20.711 1.658 5.132 306 HD3 PRO 43 2HD PRO 43 22.419 1.338 5.496 307 H SER 44 H SER 44 22.417 -0.347 0.183 308 HA SER 44 HA SER 44 19.973 0.411 -0.877 309 HB2 SER 44 1HB SER 44 22.151 -0.345 -2.068 310 HB3 SER 44 2HB SER 44 21.467 -1.967 -1.955 311 HG SER 44 HG SER 44 20.842 0.044 -3.653 312 H SER 45 H SER 45 18.007 -0.260 -0.365 313 HA SER 45 HA SER 45 17.599 -2.889 0.797 314 HB2 SER 45 1HB SER 45 16.481 -0.580 1.460 315 HB3 SER 45 2HB SER 45 15.330 -1.035 0.204 316 HG SER 45 HG SER 45 15.813 -2.193 2.688 317 H GLY 46 H GLY 46 16.717 -4.605 -0.200 318 HA2 GLY 46 1HA GLY 46 15.071 -5.456 -1.805 319 HA3 GLY 46 2HA GLY 46 15.594 -4.185 -2.900 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.175 -26.768 -2.162 2 HA2 GLY 1 1HA GLY 1 0.375 -24.609 -1.116 3 HA3 GLY 1 2HA GLY 1 -0.540 -24.364 -2.597 4 H SER 2 H SER 2 -0.686 -24.548 0.877 5 HA SER 2 HA SER 2 -3.535 -23.885 0.867 6 HB2 SER 2 1HB SER 2 -3.433 -24.254 3.292 7 HB3 SER 2 2HB SER 2 -2.772 -25.638 2.421 8 HG SER 2 HG SER 2 -1.516 -24.828 4.268 9 H SER 3 H SER 3 -4.237 -22.176 2.451 10 HA SER 3 HA SER 3 -2.335 -19.925 2.469 11 HB2 SER 3 1HB SER 3 -3.888 -19.357 0.773 12 HB3 SER 3 2HB SER 3 -5.256 -19.945 1.717 13 HG SER 3 HG SER 3 -5.238 -17.729 1.866 14 H GLY 4 H GLY 4 -2.161 -18.792 4.330 15 HA2 GLY 4 1HA GLY 4 -3.389 -19.900 6.689 16 HA3 GLY 4 2HA GLY 4 -2.239 -18.572 6.635 17 H SER 5 H SER 5 -5.354 -19.378 7.358 18 HA SER 5 HA SER 5 -6.881 -17.247 6.389 19 HB2 SER 5 1HB SER 5 -7.628 -19.385 7.647 20 HB3 SER 5 2HB SER 5 -7.343 -18.445 9.111 21 HG SER 5 HG SER 5 -9.539 -18.433 8.002 22 H SER 6 H SER 6 -6.853 -15.144 6.802 23 HA SER 6 HA SER 6 -5.652 -14.220 9.329 24 HB2 SER 6 1HB SER 6 -4.201 -13.822 7.308 25 HB3 SER 6 2HB SER 6 -5.468 -12.767 6.682 26 HG SER 6 HG SER 6 -4.597 -12.294 9.281 27 H GLY 7 H GLY 7 -7.301 -13.525 10.536 28 HA2 GLY 7 1HA GLY 7 -9.146 -12.332 11.198 29 HA3 GLY 7 2HA GLY 7 -8.749 -11.215 9.901 30 H THR 8 H THR 8 -10.671 -10.811 8.979 31 HA THR 8 HA THR 8 -12.174 -13.127 7.949 32 HB THR 8 HB THR 8 -13.427 -10.540 8.884 33 HG1 THR 8 HG1 THR 8 -13.435 -11.405 10.807 34 HG21 THR 8 3HG2 THR 8 -14.382 -12.861 7.408 35 HG22 THR 8 1HG2 THR 8 -15.131 -11.282 7.634 36 HG23 THR 8 2HG2 THR 8 -15.334 -12.537 8.856 37 H GLY 9 H GLY 9 -11.853 -9.587 7.580 38 HA2 GLY 9 1HA GLY 9 -12.309 -9.936 4.691 39 HA3 GLY 9 2HA GLY 9 -12.536 -8.438 5.581 40 H GLU 10 H GLU 10 -11.016 -8.785 3.174 41 HA GLU 10 HA GLU 10 -8.260 -8.408 4.118 42 HB2 GLU 10 1HB GLU 10 -9.338 -8.957 1.348 43 HB3 GLU 10 2HB GLU 10 -7.642 -8.674 1.717 44 HG2 GLU 10 1HG GLU 10 -7.919 -11.008 1.546 45 HG3 GLU 10 2HG GLU 10 -7.750 -10.645 3.263 46 H ARG 11 H ARG 11 -7.446 -6.428 4.223 47 HA ARG 11 HA ARG 11 -8.749 -4.083 3.902 48 HB2 ARG 11 1HB ARG 11 -5.873 -4.828 3.726 49 HB3 ARG 11 2HB ARG 11 -6.324 -3.205 3.220 50 HG2 ARG 11 1HG ARG 11 -5.701 -3.066 5.493 51 HG3 ARG 11 2HG ARG 11 -7.460 -2.939 5.444 52 HD2 ARG 11 1HD ARG 11 -6.795 -4.408 7.246 53 HD3 ARG 11 2HD ARG 11 -7.622 -5.335 5.994 54 HE ARG 11 HE ARG 11 -4.916 -5.483 5.432 55 HH11 ARG 11 1HH1 ARG 11 -7.060 -6.415 8.012 56 HH12 ARG 11 2HH1 ARG 11 -6.099 -7.773 8.496 57 HH21 ARG 11 1HH2 ARG 11 -3.642 -7.268 6.060 58 HH22 ARG 11 2HH2 ARG 11 -4.154 -8.256 7.385 59 HA PRO 12 HA PRO 12 -9.555 -3.582 -0.408 60 HB2 PRO 12 1HB PRO 12 -10.103 -0.924 -0.386 61 HB3 PRO 12 2HB PRO 12 -11.224 -2.141 0.236 62 HG2 PRO 12 1HG PRO 12 -9.313 -0.386 1.729 63 HG3 PRO 12 2HG PRO 12 -10.991 -0.802 2.123 64 HD2 PRO 12 1HD PRO 12 -8.876 -2.003 3.312 65 HD3 PRO 12 2HD PRO 12 -10.409 -2.847 3.013 66 H TYR 13 H TYR 13 -7.633 -0.958 1.067 67 HA TYR 13 HA TYR 13 -6.169 -0.604 -1.421 68 HB2 TYR 13 1HB TYR 13 -5.707 0.868 1.171 69 HB3 TYR 13 2HB TYR 13 -5.280 1.381 -0.458 70 HD1 TYR 13 HD1 TYR 13 -6.959 2.310 -1.951 71 HD2 TYR 13 HD2 TYR 13 -7.985 1.073 1.988 72 HE1 TYR 13 HE1 TYR 13 -9.086 3.531 -2.128 73 HE2 TYR 13 HE2 TYR 13 -10.116 2.289 1.821 74 HH TYR 13 HH TYR 13 -11.427 3.540 0.547 75 H ILE 14 H ILE 14 -3.969 -0.924 -1.675 76 HA ILE 14 HA ILE 14 -2.426 -2.036 0.525 77 HB ILE 14 HB ILE 14 -2.879 -3.574 -2.035 78 HG12 ILE 14 1HG1 ILE 14 -3.499 -5.323 -0.135 79 HG13 ILE 14 2HG1 ILE 14 -3.844 -3.858 0.776 80 HG21 ILE 14 1HG2 ILE 14 -0.717 -3.621 -0.081 81 HG22 ILE 14 2HG2 ILE 14 -1.466 -5.197 -0.332 82 HG23 ILE 14 3HG2 ILE 14 -0.796 -4.312 -1.702 83 HD11 ILE 14 3HD1 ILE 14 -5.158 -3.304 -1.494 84 HD12 ILE 14 1HD1 ILE 14 -5.277 -5.063 -1.491 85 HD13 ILE 14 2HD1 ILE 14 -5.885 -4.136 -0.119 86 H CYS 15 H CYS 15 -0.590 -0.935 0.509 87 HA CYS 15 HA CYS 15 0.340 0.728 -1.479 88 HB2 CYS 15 1HB CYS 15 1.265 0.967 0.689 89 HB3 CYS 15 2HB CYS 15 1.794 -0.712 0.733 90 H THR 16 H THR 16 1.968 0.578 -3.053 91 HA THR 16 HA THR 16 2.316 -2.131 -4.126 92 HB THR 16 HB THR 16 1.320 -0.649 -5.724 93 HG1 THR 16 HG1 THR 16 3.103 -0.604 -7.320 94 HG21 THR 16 3HG2 THR 16 3.325 1.261 -6.266 95 HG22 THR 16 1HG2 THR 16 3.048 1.294 -4.526 96 HG23 THR 16 2HG2 THR 16 1.702 1.543 -5.638 97 H VAL 17 H VAL 17 4.062 0.640 -2.934 98 HA VAL 17 HA VAL 17 6.614 0.166 -3.901 99 HB VAL 17 HB VAL 17 5.984 1.133 -1.111 100 HG11 VAL 17 1HG1 VAL 17 8.403 1.020 -2.779 101 HG12 VAL 17 2HG1 VAL 17 8.119 2.558 -1.962 102 HG13 VAL 17 3HG1 VAL 17 8.233 1.067 -1.025 103 HG21 VAL 17 3HG2 VAL 17 4.957 2.879 -2.027 104 HG22 VAL 17 1HG2 VAL 17 6.474 3.308 -2.818 105 HG23 VAL 17 2HG2 VAL 17 5.305 2.283 -3.650 106 H CYS 18 H CYS 18 5.484 -0.789 -0.652 107 HA CYS 18 HA CYS 18 7.477 -2.943 -0.673 108 HB2 CYS 18 1HB CYS 18 7.156 -3.011 1.766 109 HB3 CYS 18 2HB CYS 18 7.610 -1.400 1.219 110 H GLY 19 H GLY 19 4.052 -2.324 0.026 111 HA2 GLY 19 1HA GLY 19 2.507 -4.012 -0.957 112 HA3 GLY 19 2HA GLY 19 3.578 -5.226 -0.272 113 H LYS 20 H LYS 20 2.661 -2.265 1.371 114 HA LYS 20 HA LYS 20 1.685 -3.783 3.617 115 HB2 LYS 20 1HB LYS 20 3.005 -1.544 3.630 116 HB3 LYS 20 2HB LYS 20 1.436 -0.802 3.343 117 HG2 LYS 20 1HG LYS 20 1.455 -0.705 5.603 118 HG3 LYS 20 2HG LYS 20 0.771 -2.322 5.417 119 HD2 LYS 20 1HD LYS 20 3.734 -2.019 5.541 120 HD3 LYS 20 2HD LYS 20 2.801 -1.883 7.034 121 HE2 LYS 20 1HE LYS 20 1.735 -4.081 6.442 122 HE3 LYS 20 2HE LYS 20 2.907 -4.218 5.132 123 HZ1 LYS 20 3HZ LYS 20 4.383 -4.995 6.565 124 HZ2 LYS 20 1HZ LYS 20 3.241 -4.912 7.810 125 HZ3 LYS 20 2HZ LYS 20 4.264 -3.599 7.512 126 H ALA 21 H ALA 21 -0.410 -3.706 4.490 127 HA ALA 21 HA ALA 21 -2.495 -2.988 2.536 128 HB1 ALA 21 3HB ALA 21 -3.544 -4.919 2.951 129 HB2 ALA 21 1HB ALA 21 -2.019 -5.433 3.673 130 HB3 ALA 21 2HB ALA 21 -3.303 -4.781 4.692 131 H PHE 22 H PHE 22 -4.107 -1.633 3.109 132 HA PHE 22 HA PHE 22 -4.290 -0.811 5.926 133 HB2 PHE 22 1HB PHE 22 -4.198 0.997 3.506 134 HB3 PHE 22 2HB PHE 22 -4.690 1.535 5.108 135 HD1 PHE 22 HD1 PHE 22 -3.076 1.744 6.903 136 HD2 PHE 22 HD2 PHE 22 -1.895 0.493 3.010 137 HE1 PHE 22 HE1 PHE 22 -0.724 2.174 7.482 138 HE2 PHE 22 HE2 PHE 22 0.459 0.920 3.583 139 HZ PHE 22 HZ PHE 22 1.047 1.761 5.822 140 H THR 23 H THR 23 -6.336 -0.097 6.617 141 HA THR 23 HA THR 23 -8.530 -1.272 5.137 142 HB THR 23 HB THR 23 -8.459 -1.630 7.540 143 HG1 THR 23 HG1 THR 23 -10.542 -1.621 6.952 144 HG21 THR 23 3HG2 THR 23 -7.420 0.154 8.555 145 HG22 THR 23 1HG2 THR 23 -9.105 0.511 8.928 146 HG23 THR 23 2HG2 THR 23 -8.298 1.348 7.601 147 H ASP 24 H ASP 24 -7.071 1.764 5.352 148 HA ASP 24 HA ASP 24 -9.292 2.968 3.892 149 HB2 ASP 24 1HB ASP 24 -8.331 3.834 6.569 150 HB3 ASP 24 2HB ASP 24 -8.688 5.100 5.399 151 H ARG 25 H ARG 25 -8.682 4.563 2.450 152 HA ARG 25 HA ARG 25 -6.091 4.444 1.409 153 HB2 ARG 25 1HB ARG 25 -7.961 5.122 0.032 154 HB3 ARG 25 2HB ARG 25 -8.242 6.533 1.043 155 HG2 ARG 25 1HG ARG 25 -7.162 7.289 -0.919 156 HG3 ARG 25 2HG ARG 25 -5.964 7.344 0.376 157 HD2 ARG 25 1HD ARG 25 -4.798 6.390 -1.396 158 HD3 ARG 25 2HD ARG 25 -5.293 4.996 -0.436 159 HE ARG 25 HE ARG 25 -7.284 5.374 -2.302 160 HH11 ARG 25 1HH1 ARG 25 -3.864 4.728 -2.339 161 HH12 ARG 25 2HH1 ARG 25 -3.913 3.856 -3.836 162 HH21 ARG 25 1HH2 ARG 25 -7.362 4.229 -4.273 163 HH22 ARG 25 2HH2 ARG 25 -5.903 3.574 -4.935 164 H SER 26 H SER 26 -7.584 6.732 3.638 165 HA SER 26 HA SER 26 -5.657 8.719 3.682 166 HB2 SER 26 1HB SER 26 -6.399 8.916 6.183 167 HB3 SER 26 2HB SER 26 -7.572 9.230 4.904 168 HG SER 26 HG SER 26 -8.177 7.744 6.711 169 H ASN 27 H ASN 27 -5.839 5.828 5.757 170 HA ASN 27 HA ASN 27 -3.432 6.287 7.133 171 HB2 ASN 27 1HB ASN 27 -5.231 3.952 6.717 172 HB3 ASN 27 2HB ASN 27 -3.606 3.626 7.313 173 HD21 ASN 27 1HD2 ASN 27 -4.857 2.840 9.175 174 HD22 ASN 27 2HD2 ASN 27 -5.293 3.973 10.404 175 H LEU 28 H LEU 28 -4.047 5.177 3.950 176 HA LEU 28 HA LEU 28 -1.509 3.831 3.633 177 HB2 LEU 28 1HB LEU 28 -3.369 2.986 2.388 178 HB3 LEU 28 2HB LEU 28 -3.690 4.574 1.694 179 HG LEU 28 HG LEU 28 -1.569 4.422 0.441 180 HD11 LEU 28 1HD1 LEU 28 -0.084 2.741 0.643 181 HD12 LEU 28 2HD1 LEU 28 -1.331 1.527 0.927 182 HD13 LEU 28 3HD1 LEU 28 -0.806 2.576 2.244 183 HD21 LEU 28 3HD2 LEU 28 -3.888 3.507 -0.316 184 HD22 LEU 28 1HD2 LEU 28 -3.106 1.934 -0.165 185 HD23 LEU 28 2HD2 LEU 28 -2.446 3.143 -1.266 186 H ILE 29 H ILE 29 -3.012 6.813 2.407 187 HA ILE 29 HA ILE 29 -0.960 7.785 0.855 188 HB ILE 29 HB ILE 29 -2.742 9.427 2.659 189 HG12 ILE 29 1HG1 ILE 29 -3.186 8.865 -0.265 190 HG13 ILE 29 2HG1 ILE 29 -3.804 7.780 0.976 191 HG21 ILE 29 1HG2 ILE 29 -2.312 10.992 0.533 192 HG22 ILE 29 2HG2 ILE 29 -1.292 11.023 1.971 193 HG23 ILE 29 3HG2 ILE 29 -0.787 10.108 0.550 194 HD11 ILE 29 3HD1 ILE 29 -5.460 9.421 0.166 195 HD12 ILE 29 1HD1 ILE 29 -5.160 9.524 1.901 196 HD13 ILE 29 2HD1 ILE 29 -4.447 10.712 0.810 197 H LYS 30 H LYS 30 -1.291 7.885 4.357 198 HA LYS 30 HA LYS 30 0.979 9.579 4.772 199 HB2 LYS 30 1HB LYS 30 0.478 9.460 7.009 200 HB3 LYS 30 2HB LYS 30 -1.088 9.042 6.326 201 HG2 LYS 30 1HG LYS 30 -0.525 6.649 6.610 202 HG3 LYS 30 2HG LYS 30 0.974 7.133 7.407 203 HD2 LYS 30 1HD LYS 30 -0.239 8.194 9.182 204 HD3 LYS 30 2HD LYS 30 -1.772 7.959 8.340 205 HE2 LYS 30 1HE LYS 30 -1.328 5.479 8.481 206 HE3 LYS 30 2HE LYS 30 0.007 5.863 9.566 207 HZ1 LYS 30 3HZ LYS 30 -1.439 6.670 11.180 208 HZ2 LYS 30 1HZ LYS 30 -2.238 5.298 10.594 209 HZ3 LYS 30 2HZ LYS 30 -2.730 6.838 10.099 210 H HIS 31 H HIS 31 0.491 6.199 4.295 211 HA HIS 31 HA HIS 31 2.913 5.309 5.522 212 HB2 HIS 31 1HB HIS 31 1.196 3.687 5.299 213 HB3 HIS 31 2HB HIS 31 0.984 4.036 3.586 214 HD1 HIS 31 HD1 HIS 31 3.055 2.063 5.957 215 HD2 HIS 31 HD2 HIS 31 2.912 2.861 1.883 216 HE1 HIS 31 HE1 HIS 31 4.572 0.367 4.886 217 H GLN 32 H GLN 32 1.934 6.017 2.187 218 HA GLN 32 HA GLN 32 4.162 5.218 0.803 219 HB2 GLN 32 1HB GLN 32 2.150 7.370 0.416 220 HB3 GLN 32 2HB GLN 32 3.604 7.446 -0.571 221 HG2 GLN 32 1HG GLN 32 1.618 6.258 -1.572 222 HG3 GLN 32 2HG GLN 32 3.150 5.386 -1.594 223 HE21 GLN 32 1HE2 GLN 32 2.933 3.327 -1.146 224 HE22 GLN 32 2HE2 GLN 32 1.789 2.629 -0.056 225 H LYS 33 H LYS 33 3.804 7.972 2.908 226 HA LYS 33 HA LYS 33 5.945 9.551 2.128 227 HB2 LYS 33 1HB LYS 33 4.878 9.028 4.907 228 HB3 LYS 33 2HB LYS 33 5.999 10.321 4.502 229 HG2 LYS 33 1HG LYS 33 4.301 11.225 2.932 230 HG3 LYS 33 2HG LYS 33 3.175 9.995 3.512 231 HD2 LYS 33 1HD LYS 33 3.027 10.950 5.626 232 HD3 LYS 33 2HD LYS 33 4.546 11.830 5.442 233 HE2 LYS 33 1HE LYS 33 3.565 13.416 3.999 234 HE3 LYS 33 2HE LYS 33 2.133 12.419 3.749 235 HZ1 LYS 33 3HZ LYS 33 2.854 13.549 6.391 236 HZ2 LYS 33 1HZ LYS 33 1.379 12.867 5.920 237 HZ3 LYS 33 2HZ LYS 33 1.859 14.361 5.290 238 H ILE 34 H ILE 34 5.906 6.591 4.004 239 HA ILE 34 HA ILE 34 8.528 6.705 5.015 240 HB ILE 34 HB ILE 34 8.284 4.488 5.647 241 HG12 ILE 34 1HG1 ILE 34 6.370 4.106 3.334 242 HG13 ILE 34 2HG1 ILE 34 8.042 3.560 3.385 243 HG21 ILE 34 1HG2 ILE 34 6.044 6.171 5.862 244 HG22 ILE 34 2HG2 ILE 34 5.425 4.555 5.522 245 HG23 ILE 34 3HG2 ILE 34 6.486 4.820 6.905 246 HD11 ILE 34 3HD1 ILE 34 5.870 2.625 5.245 247 HD12 ILE 34 1HD1 ILE 34 6.419 1.763 3.808 248 HD13 ILE 34 2HD1 ILE 34 7.524 2.018 5.159 249 H HIS 35 H HIS 35 7.363 6.210 1.849 250 HA HIS 35 HA HIS 35 9.863 4.947 0.981 251 HB2 HIS 35 1HB HIS 35 7.340 5.460 -0.607 252 HB3 HIS 35 2HB HIS 35 8.728 4.510 -1.129 253 HD1 HIS 35 HD1 HIS 35 9.217 2.588 1.054 254 HD2 HIS 35 HD2 HIS 35 5.369 3.720 -0.025 255 HE1 HIS 35 HE1 HIS 35 7.720 0.739 1.868 256 H THR 36 H THR 36 8.434 7.974 1.250 257 HA THR 36 HA THR 36 9.872 9.109 -1.029 258 HB THR 36 HB THR 36 8.618 11.085 -0.747 259 HG1 THR 36 HG1 THR 36 7.923 10.086 1.832 260 HG21 THR 36 3HG2 THR 36 7.176 9.493 -1.695 261 HG22 THR 36 1HG2 THR 36 6.230 10.222 -0.398 262 HG23 THR 36 2HG2 THR 36 6.971 8.638 -0.166 263 H GLY 37 H GLY 37 11.588 8.114 0.863 264 HA2 GLY 37 1HA GLY 37 12.412 10.326 2.578 265 HA3 GLY 37 2HA GLY 37 13.101 8.709 2.560 266 H GLU 38 H GLU 38 15.229 9.289 2.383 267 HA GLU 38 HA GLU 38 16.127 11.201 0.442 268 HB2 GLU 38 1HB GLU 38 17.663 9.222 2.133 269 HB3 GLU 38 2HB GLU 38 18.397 10.476 1.144 270 HG2 GLU 38 1HG GLU 38 17.111 12.155 2.487 271 HG3 GLU 38 2HG GLU 38 16.649 10.836 3.561 272 H LYS 39 H LYS 39 15.164 10.233 -1.458 273 HA LYS 39 HA LYS 39 16.910 8.172 -2.611 274 HB2 LYS 39 1HB LYS 39 13.898 8.213 -2.599 275 HB3 LYS 39 2HB LYS 39 14.808 7.315 -3.806 276 HG2 LYS 39 1HG LYS 39 15.303 6.895 -0.885 277 HG3 LYS 39 2HG LYS 39 13.974 6.080 -1.714 278 HD2 LYS 39 1HD LYS 39 15.884 5.476 -3.436 279 HD3 LYS 39 2HD LYS 39 16.915 5.733 -2.026 280 HE2 LYS 39 1HE LYS 39 14.495 3.955 -1.937 281 HE3 LYS 39 2HE LYS 39 16.074 3.361 -2.450 282 HZ1 LYS 39 3HZ LYS 39 15.162 3.508 0.119 283 HZ2 LYS 39 1HZ LYS 39 16.216 4.826 -0.002 284 HZ3 LYS 39 2HZ LYS 39 16.768 3.267 -0.355 285 HA PRO 40 HA PRO 40 17.217 10.946 -6.011 286 HB2 PRO 40 1HB PRO 40 17.880 9.189 -7.972 287 HB3 PRO 40 2HB PRO 40 19.005 9.678 -6.699 288 HG2 PRO 40 1HG PRO 40 17.336 7.201 -6.905 289 HG3 PRO 40 2HG PRO 40 19.027 7.372 -6.397 290 HD2 PRO 40 1HD PRO 40 16.995 7.094 -4.629 291 HD3 PRO 40 2HD PRO 40 18.450 8.045 -4.269 292 H SER 41 H SER 41 16.438 11.191 -8.321 293 HA SER 41 HA SER 41 13.611 10.839 -8.381 294 HB2 SER 41 1HB SER 41 15.553 11.840 -10.475 295 HB3 SER 41 2HB SER 41 13.799 11.866 -10.663 296 HG SER 41 HG SER 41 15.222 13.723 -9.590 297 H GLY 42 H GLY 42 16.104 9.740 -10.694 298 HA2 GLY 42 1HA GLY 42 16.280 7.776 -11.881 299 HA3 GLY 42 2HA GLY 42 15.092 7.079 -10.789 300 HA PRO 43 HA PRO 43 13.100 7.285 -14.931 301 HB2 PRO 43 1HB PRO 43 11.823 4.903 -14.672 302 HB3 PRO 43 2HB PRO 43 13.488 5.042 -15.248 303 HG2 PRO 43 1HG PRO 43 12.482 4.347 -12.516 304 HG3 PRO 43 2HG PRO 43 13.803 3.612 -13.442 305 HD2 PRO 43 1HD PRO 43 14.235 5.413 -11.466 306 HD3 PRO 43 2HD PRO 43 15.290 5.284 -12.888 307 H SER 44 H SER 44 11.838 6.502 -11.736 308 HA SER 44 HA SER 44 9.111 6.691 -12.219 309 HB2 SER 44 1HB SER 44 10.793 7.283 -9.796 310 HB3 SER 44 2HB SER 44 9.046 7.526 -9.766 311 HG SER 44 HG SER 44 9.110 5.475 -9.221 312 H SER 45 H SER 45 8.022 8.286 -13.141 313 HA SER 45 HA SER 45 9.029 10.943 -13.342 314 HB2 SER 45 1HB SER 45 7.521 9.777 -15.020 315 HB3 SER 45 2HB SER 45 6.192 10.061 -13.896 316 HG SER 45 HG SER 45 7.860 12.155 -14.804 317 H GLY 46 H GLY 46 7.537 12.845 -12.772 318 HA2 GLY 46 1HA GLY 46 6.289 12.417 -10.136 319 HA3 GLY 46 2HA GLY 46 7.476 13.694 -10.357 Start of MODEL 20 1 H1 GLY 1 H GLY 1 8.390 -23.584 11.987 2 HA2 GLY 1 1HA GLY 1 9.150 -21.415 11.930 3 HA3 GLY 1 2HA GLY 1 10.172 -21.992 10.622 4 H SER 2 H SER 2 7.385 -20.159 11.476 5 HA SER 2 HA SER 2 7.327 -18.960 8.851 6 HB2 SER 2 1HB SER 2 5.134 -20.751 9.828 7 HB3 SER 2 2HB SER 2 4.724 -19.349 8.841 8 HG SER 2 HG SER 2 5.823 -20.187 7.163 9 H SER 3 H SER 3 6.450 -16.916 8.852 10 HA SER 3 HA SER 3 5.634 -15.896 11.491 11 HB2 SER 3 1HB SER 3 6.904 -14.398 9.186 12 HB3 SER 3 2HB SER 3 6.470 -13.705 10.749 13 HG SER 3 HG SER 3 8.345 -14.349 11.408 14 H GLY 4 H GLY 4 5.172 -15.133 8.031 15 HA2 GLY 4 1HA GLY 4 3.318 -14.430 6.876 16 HA3 GLY 4 2HA GLY 4 2.381 -15.330 8.060 17 H SER 5 H SER 5 4.056 -12.235 7.583 18 HA SER 5 HA SER 5 3.246 -10.755 9.684 19 HB2 SER 5 1HB SER 5 3.495 -10.053 6.778 20 HB3 SER 5 2HB SER 5 2.927 -8.841 7.926 21 HG SER 5 HG SER 5 4.846 -8.886 8.950 22 H SER 6 H SER 6 1.251 -11.512 6.853 23 HA SER 6 HA SER 6 -1.111 -10.670 8.402 24 HB2 SER 6 1HB SER 6 -0.538 -10.348 5.455 25 HB3 SER 6 2HB SER 6 -2.162 -10.205 6.128 26 HG SER 6 HG SER 6 0.055 -8.528 6.436 27 H GLY 7 H GLY 7 -3.077 -11.842 7.983 28 HA2 GLY 7 1HA GLY 7 -2.863 -14.341 6.505 29 HA3 GLY 7 2HA GLY 7 -3.075 -14.494 8.243 30 H THR 8 H THR 8 -5.048 -13.978 9.178 31 HA THR 8 HA THR 8 -7.306 -14.161 7.394 32 HB THR 8 HB THR 8 -8.667 -14.227 9.455 33 HG1 THR 8 HG1 THR 8 -6.226 -13.444 10.570 34 HG21 THR 8 3HG2 THR 8 -8.129 -16.397 9.965 35 HG22 THR 8 1HG2 THR 8 -6.397 -16.073 10.014 36 HG23 THR 8 2HG2 THR 8 -7.225 -16.208 8.463 37 H GLY 9 H GLY 9 -5.898 -11.774 6.993 38 HA2 GLY 9 1HA GLY 9 -7.983 -9.843 7.744 39 HA3 GLY 9 2HA GLY 9 -6.302 -9.446 8.066 40 H GLU 10 H GLU 10 -8.799 -9.206 5.857 41 HA GLU 10 HA GLU 10 -6.932 -8.665 3.645 42 HB2 GLU 10 1HB GLU 10 -8.931 -10.399 3.511 43 HB3 GLU 10 2HB GLU 10 -9.866 -8.947 3.185 44 HG2 GLU 10 1HG GLU 10 -9.291 -9.754 1.081 45 HG3 GLU 10 2HG GLU 10 -8.145 -8.446 1.376 46 H ARG 11 H ARG 11 -6.724 -6.641 2.936 47 HA ARG 11 HA ARG 11 -8.660 -4.639 3.896 48 HB2 ARG 11 1HB ARG 11 -5.732 -4.309 3.218 49 HB3 ARG 11 2HB ARG 11 -6.811 -2.998 3.676 50 HG2 ARG 11 1HG ARG 11 -6.335 -5.369 5.453 51 HG3 ARG 11 2HG ARG 11 -5.299 -3.941 5.480 52 HD2 ARG 11 1HD ARG 11 -6.863 -3.544 7.169 53 HD3 ARG 11 2HD ARG 11 -7.461 -2.609 5.799 54 HE ARG 11 HE ARG 11 -9.303 -3.972 5.712 55 HH11 ARG 11 1HH1 ARG 11 -6.874 -5.442 7.727 56 HH12 ARG 11 2HH1 ARG 11 -7.921 -6.700 8.296 57 HH21 ARG 11 1HH2 ARG 11 -10.691 -5.622 6.454 58 HH22 ARG 11 2HH2 ARG 11 -10.092 -6.802 7.571 59 HA PRO 12 HA PRO 12 -9.730 -3.615 -0.237 60 HB2 PRO 12 1HB PRO 12 -10.243 -0.960 0.005 61 HB3 PRO 12 2HB PRO 12 -11.313 -2.208 0.653 62 HG2 PRO 12 1HG PRO 12 -9.249 -0.564 2.065 63 HG3 PRO 12 2HG PRO 12 -10.887 -0.994 2.590 64 HD2 PRO 12 1HD PRO 12 -8.682 -2.280 3.494 65 HD3 PRO 12 2HD PRO 12 -10.247 -3.095 3.289 66 H TYR 13 H TYR 13 -7.592 -1.168 1.241 67 HA TYR 13 HA TYR 13 -6.356 -0.692 -1.364 68 HB2 TYR 13 1HB TYR 13 -5.727 0.738 1.216 69 HB3 TYR 13 2HB TYR 13 -5.424 1.286 -0.429 70 HD1 TYR 13 HD1 TYR 13 -7.276 2.113 -1.823 71 HD2 TYR 13 HD2 TYR 13 -7.882 1.011 2.242 72 HE1 TYR 13 HE1 TYR 13 -9.423 3.313 -1.823 73 HE2 TYR 13 HE2 TYR 13 -10.031 2.206 2.252 74 HH TYR 13 HH TYR 13 -11.737 2.944 -0.171 75 H ILE 14 H ILE 14 -4.114 -0.849 -1.704 76 HA ILE 14 HA ILE 14 -2.499 -2.142 0.350 77 HB ILE 14 HB ILE 14 -2.888 -3.358 -2.388 78 HG12 ILE 14 1HG1 ILE 14 -3.588 -5.349 -0.892 79 HG13 ILE 14 2HG1 ILE 14 -3.785 -4.143 0.375 80 HG21 ILE 14 1HG2 ILE 14 -1.119 -4.730 -2.029 81 HG22 ILE 14 2HG2 ILE 14 -0.569 -3.359 -1.066 82 HG23 ILE 14 3HG2 ILE 14 -1.338 -4.737 -0.279 83 HD11 ILE 14 3HD1 ILE 14 -5.808 -3.704 -0.384 84 HD12 ILE 14 1HD1 ILE 14 -5.118 -3.183 -1.921 85 HD13 ILE 14 2HD1 ILE 14 -5.586 -4.868 -1.690 86 H CYS 15 H CYS 15 -0.414 -1.522 0.295 87 HA CYS 15 HA CYS 15 0.355 0.534 -1.556 88 HB2 CYS 15 1HB CYS 15 1.069 0.714 0.747 89 HB3 CYS 15 2HB CYS 15 1.869 -0.852 0.664 90 H THR 16 H THR 16 1.872 0.454 -3.168 91 HA THR 16 HA THR 16 2.629 -2.240 -4.059 92 HB THR 16 HB THR 16 3.066 -1.142 -6.269 93 HG1 THR 16 HG1 THR 16 1.809 1.006 -6.307 94 HG21 THR 16 3HG2 THR 16 0.289 -0.377 -5.837 95 HG22 THR 16 1HG2 THR 16 0.676 -1.953 -5.148 96 HG23 THR 16 2HG2 THR 16 0.964 -1.644 -6.860 97 H VAL 17 H VAL 17 3.904 0.696 -2.836 98 HA VAL 17 HA VAL 17 6.494 0.646 -3.929 99 HB VAL 17 HB VAL 17 5.644 1.695 -1.226 100 HG11 VAL 17 1HG1 VAL 17 7.640 3.276 -1.798 101 HG12 VAL 17 2HG1 VAL 17 7.947 1.682 -1.105 102 HG13 VAL 17 3HG1 VAL 17 8.145 1.945 -2.838 103 HG21 VAL 17 3HG2 VAL 17 4.547 2.523 -3.480 104 HG22 VAL 17 1HG2 VAL 17 4.990 3.656 -2.203 105 HG23 VAL 17 2HG2 VAL 17 6.046 3.444 -3.599 106 H CYS 18 H CYS 18 5.218 -0.704 -0.898 107 HA CYS 18 HA CYS 18 7.649 -2.363 -0.720 108 HB2 CYS 18 1HB CYS 18 7.321 -2.400 1.717 109 HB3 CYS 18 2HB CYS 18 7.525 -0.756 1.121 110 H GLY 19 H GLY 19 4.164 -2.249 -0.045 111 HA2 GLY 19 1HA GLY 19 2.840 -4.131 -0.922 112 HA3 GLY 19 2HA GLY 19 4.124 -5.188 -0.356 113 H LYS 20 H LYS 20 1.847 -2.742 0.873 114 HA LYS 20 HA LYS 20 1.447 -4.460 3.233 115 HB2 LYS 20 1HB LYS 20 2.028 -1.551 3.058 116 HB3 LYS 20 2HB LYS 20 0.854 -2.059 4.265 117 HG2 LYS 20 1HG LYS 20 2.588 -3.709 5.071 118 HG3 LYS 20 2HG LYS 20 3.738 -2.863 4.033 119 HD2 LYS 20 1HD LYS 20 3.714 -0.966 5.323 120 HD3 LYS 20 2HD LYS 20 2.082 -1.266 5.925 121 HE2 LYS 20 1HE LYS 20 4.230 -3.179 6.676 122 HE3 LYS 20 2HE LYS 20 4.223 -1.595 7.450 123 HZ1 LYS 20 3HZ LYS 20 2.155 -3.701 7.557 124 HZ2 LYS 20 1HZ LYS 20 1.786 -2.093 7.931 125 HZ3 LYS 20 2HZ LYS 20 2.943 -2.928 8.839 126 H ALA 21 H ALA 21 -0.623 -3.342 4.453 127 HA ALA 21 HA ALA 21 -2.714 -2.853 2.461 128 HB1 ALA 21 3HB ALA 21 -3.661 -4.627 4.550 129 HB2 ALA 21 1HB ALA 21 -3.820 -4.756 2.798 130 HB3 ALA 21 2HB ALA 21 -2.365 -5.351 3.598 131 H PHE 22 H PHE 22 -4.302 -1.488 3.127 132 HA PHE 22 HA PHE 22 -4.451 -0.772 5.961 133 HB2 PHE 22 1HB PHE 22 -4.233 1.297 3.767 134 HB3 PHE 22 2HB PHE 22 -4.353 1.603 5.496 135 HD1 PHE 22 HD2 PHE 22 -2.175 0.286 2.832 136 HD2 PHE 22 HD1 PHE 22 -2.447 1.524 6.896 137 HE1 PHE 22 HE2 PHE 22 0.279 0.255 3.003 138 HE2 PHE 22 HE1 PHE 22 0.007 1.495 7.072 139 HZ PHE 22 HZ PHE 22 1.373 0.859 5.125 140 H THR 23 H THR 23 -6.467 -0.255 6.662 141 HA THR 23 HA THR 23 -8.680 -0.973 5.035 142 HB THR 23 HB THR 23 -8.754 -1.323 7.444 143 HG1 THR 23 HG1 THR 23 -10.800 -1.130 6.802 144 HG21 THR 23 3HG2 THR 23 -7.435 0.671 8.087 145 HG22 THR 23 1HG2 THR 23 -8.929 0.517 9.011 146 HG23 THR 23 2HG2 THR 23 -8.822 1.686 7.695 147 H ASP 24 H ASP 24 -7.536 2.141 6.311 148 HA ASP 24 HA ASP 24 -9.454 3.523 4.576 149 HB2 ASP 24 1HB ASP 24 -9.253 4.080 7.053 150 HB3 ASP 24 2HB ASP 24 -7.684 4.784 6.669 151 H ARG 25 H ARG 25 -8.836 4.623 2.819 152 HA ARG 25 HA ARG 25 -6.412 4.266 1.577 153 HB2 ARG 25 1HB ARG 25 -8.253 5.070 0.300 154 HB3 ARG 25 2HB ARG 25 -8.425 6.494 1.316 155 HG2 ARG 25 1HG ARG 25 -7.442 7.243 -0.680 156 HG3 ARG 25 2HG ARG 25 -6.134 7.189 0.503 157 HD2 ARG 25 1HD ARG 25 -5.296 5.151 -0.406 158 HD3 ARG 25 2HD ARG 25 -6.718 4.954 -1.428 159 HE ARG 25 HE ARG 25 -5.170 7.350 -1.910 160 HH11 ARG 25 1HH1 ARG 25 -5.734 4.022 -2.762 161 HH12 ARG 25 2HH1 ARG 25 -5.013 4.165 -4.331 162 HH21 ARG 25 1HH2 ARG 25 -4.219 7.551 -3.974 163 HH22 ARG 25 2HH2 ARG 25 -4.151 6.173 -5.019 164 H SER 26 H SER 26 -7.388 6.902 3.724 165 HA SER 26 HA SER 26 -5.242 8.610 3.440 166 HB2 SER 26 1HB SER 26 -6.679 7.943 6.021 167 HB3 SER 26 2HB SER 26 -5.736 9.399 5.707 168 HG SER 26 HG SER 26 -7.711 8.884 3.858 169 H ASN 27 H ASN 27 -5.533 5.880 5.708 170 HA ASN 27 HA ASN 27 -3.059 6.092 6.937 171 HB2 ASN 27 1HB ASN 27 -4.975 3.865 6.454 172 HB3 ASN 27 2HB ASN 27 -3.351 3.434 6.982 173 HD21 ASN 27 1HD2 ASN 27 -5.993 5.658 7.770 174 HD22 ASN 27 2HD2 ASN 27 -5.794 5.560 9.483 175 H LEU 28 H LEU 28 -3.883 4.856 3.784 176 HA LEU 28 HA LEU 28 -1.342 3.588 3.336 177 HB2 LEU 28 1HB LEU 28 -3.233 2.698 2.195 178 HB3 LEU 28 2HB LEU 28 -3.646 4.276 1.527 179 HG LEU 28 HG LEU 28 -1.553 4.173 0.173 180 HD11 LEU 28 1HD1 LEU 28 -0.086 2.481 0.283 181 HD12 LEU 28 2HD1 LEU 28 -1.346 1.265 0.488 182 HD13 LEU 28 3HD1 LEU 28 -0.792 2.202 1.875 183 HD21 LEU 28 3HD2 LEU 28 -3.541 1.939 -0.219 184 HD22 LEU 28 1HD2 LEU 28 -2.428 2.546 -1.445 185 HD23 LEU 28 2HD2 LEU 28 -3.695 3.595 -0.809 186 H ILE 29 H ILE 29 -2.887 6.622 2.370 187 HA ILE 29 HA ILE 29 -0.817 7.532 0.684 188 HB ILE 29 HB ILE 29 -2.756 9.215 2.273 189 HG12 ILE 29 1HG1 ILE 29 -3.106 8.399 -0.598 190 HG13 ILE 29 2HG1 ILE 29 -3.665 7.353 0.703 191 HG21 ILE 29 1HG2 ILE 29 -1.065 9.788 -0.150 192 HG22 ILE 29 2HG2 ILE 29 -2.402 10.813 0.371 193 HG23 ILE 29 3HG2 ILE 29 -1.006 10.583 1.423 194 HD11 ILE 29 3HD1 ILE 29 -4.498 10.226 0.438 195 HD12 ILE 29 1HD1 ILE 29 -5.383 8.886 -0.291 196 HD13 ILE 29 2HD1 ILE 29 -5.205 8.976 1.462 197 H LYS 30 H LYS 30 -1.380 7.846 4.145 198 HA LYS 30 HA LYS 30 0.799 9.664 4.566 199 HB2 LYS 30 1HB LYS 30 0.181 9.672 6.795 200 HB3 LYS 30 2HB LYS 30 -1.340 9.264 6.014 201 HG2 LYS 30 1HG LYS 30 -0.954 6.899 6.500 202 HG3 LYS 30 2HG LYS 30 0.567 7.315 7.294 203 HD2 LYS 30 1HD LYS 30 -0.820 8.826 8.803 204 HD3 LYS 30 2HD LYS 30 -2.236 8.002 8.146 205 HE2 LYS 30 1HE LYS 30 -1.845 6.707 9.987 206 HE3 LYS 30 2HE LYS 30 -0.862 5.850 8.801 207 HZ1 LYS 30 3HZ LYS 30 1.073 6.609 9.720 208 HZ2 LYS 30 1HZ LYS 30 0.116 6.499 11.110 209 HZ3 LYS 30 2HZ LYS 30 0.369 8.000 10.374 210 H HIS 31 H HIS 31 0.414 6.227 4.423 211 HA HIS 31 HA HIS 31 2.828 5.586 5.832 212 HB2 HIS 31 1HB HIS 31 1.382 3.798 5.909 213 HB3 HIS 31 2HB HIS 31 0.789 4.069 4.274 214 HD1 HIS 31 HD1 HIS 31 3.624 2.470 6.150 215 HD2 HIS 31 HD2 HIS 31 2.138 2.697 2.277 216 HE1 HIS 31 HE1 HIS 31 4.893 0.738 4.841 217 H GLN 32 H GLN 32 1.879 5.807 2.426 218 HA GLN 32 HA GLN 32 4.217 4.883 1.250 219 HB2 GLN 32 1HB GLN 32 2.093 6.808 0.386 220 HB3 GLN 32 2HB GLN 32 3.528 6.601 -0.609 221 HG2 GLN 32 1HG GLN 32 3.039 4.134 -0.604 222 HG3 GLN 32 2HG GLN 32 1.489 4.527 0.138 223 HE21 GLN 32 1HE2 GLN 32 1.773 3.230 -2.327 224 HE22 GLN 32 2HE2 GLN 32 1.139 4.260 -3.561 225 H LYS 33 H LYS 33 3.701 7.717 3.067 226 HA LYS 33 HA LYS 33 5.616 9.438 1.922 227 HB2 LYS 33 1HB LYS 33 4.554 9.246 4.744 228 HB3 LYS 33 2HB LYS 33 5.600 10.543 4.181 229 HG2 LYS 33 1HG LYS 33 3.807 10.905 2.367 230 HG3 LYS 33 2HG LYS 33 2.770 9.942 3.422 231 HD2 LYS 33 1HD LYS 33 3.076 11.505 5.229 232 HD3 LYS 33 2HD LYS 33 4.262 12.416 4.292 233 HE2 LYS 33 1HE LYS 33 2.388 13.694 3.957 234 HE3 LYS 33 2HE LYS 33 2.288 12.606 2.574 235 HZ1 LYS 33 3HZ LYS 33 0.493 11.554 3.415 236 HZ2 LYS 33 1HZ LYS 33 0.264 13.027 4.216 237 HZ3 LYS 33 2HZ LYS 33 0.983 11.727 5.025 238 H ILE 34 H ILE 34 5.901 6.676 3.986 239 HA ILE 34 HA ILE 34 8.449 7.218 5.087 240 HB ILE 34 HB ILE 34 8.488 5.006 5.842 241 HG12 ILE 34 1HG1 ILE 34 6.527 4.294 3.649 242 HG13 ILE 34 2HG1 ILE 34 8.251 3.938 3.628 243 HG21 ILE 34 1HG2 ILE 34 6.108 6.493 6.026 244 HG22 ILE 34 2HG2 ILE 34 5.634 4.807 5.818 245 HG23 ILE 34 3HG2 ILE 34 6.707 5.264 7.141 246 HD11 ILE 34 3HD1 ILE 34 7.109 1.956 4.246 247 HD12 ILE 34 1HD1 ILE 34 7.905 2.576 5.692 248 HD13 ILE 34 2HD1 ILE 34 6.169 2.805 5.473 249 H HIS 35 H HIS 35 7.405 6.020 2.002 250 HA HIS 35 HA HIS 35 10.026 5.023 1.274 251 HB2 HIS 35 1HB HIS 35 7.634 5.420 -0.527 252 HB3 HIS 35 2HB HIS 35 9.029 4.385 -0.814 253 HD1 HIS 35 HD1 HIS 35 9.244 2.607 1.483 254 HD2 HIS 35 HD2 HIS 35 5.532 3.863 0.104 255 HE1 HIS 35 HE1 HIS 35 7.600 0.905 2.333 256 H THR 36 H THR 36 8.469 8.007 1.328 257 HA THR 36 HA THR 36 9.951 9.105 -0.932 258 HB THR 36 HB THR 36 8.630 11.022 -0.780 259 HG1 THR 36 HG1 THR 36 8.028 10.251 1.900 260 HG21 THR 36 3HG2 THR 36 6.287 10.221 -0.397 261 HG22 THR 36 1HG2 THR 36 6.963 8.699 0.183 262 HG23 THR 36 2HG2 THR 36 7.235 9.206 -1.484 263 H GLY 37 H GLY 37 11.617 8.174 1.080 264 HA2 GLY 37 1HA GLY 37 12.359 10.096 2.998 265 HA3 GLY 37 2HA GLY 37 13.391 8.810 2.390 266 H GLU 38 H GLU 38 13.688 11.823 2.976 267 HA GLU 38 HA GLU 38 14.707 12.664 0.355 268 HB2 GLU 38 1HB GLU 38 13.922 14.157 2.839 269 HB3 GLU 38 2HB GLU 38 14.971 14.904 1.642 270 HG2 GLU 38 1HG GLU 38 13.301 14.801 -0.025 271 HG3 GLU 38 2HG GLU 38 12.294 13.733 0.951 272 H LYS 39 H LYS 39 16.809 12.567 -0.044 273 HA LYS 39 HA LYS 39 18.656 12.045 2.154 274 HB2 LYS 39 1HB LYS 39 18.565 10.719 -0.055 275 HB3 LYS 39 2HB LYS 39 19.374 12.109 -0.768 276 HG2 LYS 39 1HG LYS 39 21.050 10.532 -0.223 277 HG3 LYS 39 2HG LYS 39 21.166 11.833 0.964 278 HD2 LYS 39 1HD LYS 39 19.779 10.435 2.508 279 HD3 LYS 39 2HD LYS 39 19.912 9.117 1.341 280 HE2 LYS 39 1HE LYS 39 22.292 10.507 2.553 281 HE3 LYS 39 2HE LYS 39 21.561 9.060 3.244 282 HZ1 LYS 39 3HZ LYS 39 23.533 9.044 1.428 283 HZ2 LYS 39 1HZ LYS 39 22.179 8.872 0.428 284 HZ3 LYS 39 2HZ LYS 39 22.456 7.763 1.674 285 HA PRO 40 HA PRO 40 20.090 16.223 2.241 286 HB2 PRO 40 1HB PRO 40 22.382 15.793 3.630 287 HB3 PRO 40 2HB PRO 40 20.784 15.770 4.384 288 HG2 PRO 40 1HG PRO 40 22.488 13.478 3.487 289 HG3 PRO 40 2HG PRO 40 21.542 13.653 4.977 290 HD2 PRO 40 1HD PRO 40 20.668 12.213 2.857 291 HD3 PRO 40 2HD PRO 40 19.564 13.089 3.936 292 H SER 41 H SER 41 21.385 13.764 0.422 293 HA SER 41 HA SER 41 23.921 14.694 -0.304 294 HB2 SER 41 1HB SER 41 21.880 13.086 -1.848 295 HB3 SER 41 2HB SER 41 23.513 13.397 -2.439 296 HG SER 41 HG SER 41 22.910 12.158 0.043 297 H GLY 42 H GLY 42 24.276 15.287 -2.792 298 HA2 GLY 42 1HA GLY 42 23.512 16.649 -4.622 299 HA3 GLY 42 2HA GLY 42 22.409 17.449 -3.511 300 HA PRO 43 HA PRO 43 26.888 19.151 -2.692 301 HB2 PRO 43 1HB PRO 43 28.652 18.751 -4.717 302 HB3 PRO 43 2HB PRO 43 28.473 17.629 -3.362 303 HG2 PRO 43 1HG PRO 43 27.332 17.460 -6.125 304 HG3 PRO 43 2HG PRO 43 28.073 16.185 -5.140 305 HD2 PRO 43 1HD PRO 43 25.391 16.457 -5.393 306 HD3 PRO 43 2HD PRO 43 26.153 15.844 -3.912 307 H SER 44 H SER 44 25.463 20.959 -3.124 308 HA SER 44 HA SER 44 26.281 22.425 -5.524 309 HB2 SER 44 1HB SER 44 24.074 21.404 -6.003 310 HB3 SER 44 2HB SER 44 23.408 22.222 -4.589 311 HG SER 44 HG SER 44 24.629 23.557 -6.774 312 H SER 45 H SER 45 27.079 24.325 -4.951 313 HA SER 45 HA SER 45 26.383 25.433 -2.332 314 HB2 SER 45 1HB SER 45 28.362 26.921 -2.729 315 HB3 SER 45 2HB SER 45 28.756 25.203 -2.715 316 HG SER 45 HG SER 45 28.776 25.250 -4.984 317 H GLY 46 H GLY 46 24.873 26.948 -2.226 318 HA2 GLY 46 1HA GLY 46 23.872 28.272 -4.554 319 HA3 GLY 46 2HA GLY 46 23.379 28.571 -2.894
Contact the webmaster for help, if required. Friday, April 26, 2024 2:22:39 PM GMT (wattos1)