NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585608 | 2mpi | 19979 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -7.003 8.971 5.304 2 H2 GLY 1 HT2 GLY 1 -8.590 8.364 5.345 3 H3 GLY 1 HT3 GLY 1 -7.646 8.185 3.943 4 HA2 GLY 1 HA1 GLY 1 -6.660 6.973 6.369 5 HA3 GLY 1 HA2 GLY 1 -8.014 6.137 5.549 6 H ILE 2 HN ILE 2 -6.568 5.229 3.655 7 HA ILE 2 HA ILE 2 -3.704 5.025 4.387 8 HB ILE 2 HB ILE 2 -5.367 3.521 2.343 9 HG12 ILE 2 HG12 ILE 2 -4.374 2.875 5.132 10 HG13 ILE 2 HG11 ILE 2 -6.043 2.896 4.560 11 HG21 ILE 2 HG21 ILE 2 -3.483 2.306 1.773 12 HG22 ILE 2 HG22 ILE 2 -2.698 2.598 3.325 13 HG23 ILE 2 HG23 ILE 2 -2.735 3.869 2.102 14 HD11 ILE 2 HD11 ILE 2 -3.898 0.993 3.569 15 HD12 ILE 2 HD12 ILE 2 -5.595 0.990 3.091 16 HD13 ILE 2 HD13 ILE 2 -5.146 0.582 4.746 17 H VAL 3 HN VAL 3 -5.778 6.188 1.777 18 HA VAL 3 HA VAL 3 -3.689 6.678 -0.128 19 HB VAL 3 HB VAL 3 -5.308 7.985 -1.318 20 HG11 VAL 3 HG11 VAL 3 -7.330 6.294 -0.045 21 HG12 VAL 3 HG12 VAL 3 -5.838 5.422 -0.397 22 HG13 VAL 3 HG13 VAL 3 -6.704 6.247 -1.693 23 HG21 VAL 3 HG21 VAL 3 -7.546 8.376 0.137 24 HG22 VAL 3 HG22 VAL 3 -6.245 9.565 0.070 25 HG23 VAL 3 HG23 VAL 3 -6.353 8.451 1.433 26 H GLU 4 HN GLU 4 -4.854 8.422 2.645 27 HA GLU 4 HA GLU 4 -3.491 10.910 1.938 28 HB2 GLU 4 HB2 GLU 4 -4.310 10.314 4.750 29 HB3 GLU 4 HB1 GLU 4 -4.485 11.804 3.823 30 HG2 GLU 4 HG2 GLU 4 -6.177 10.508 2.378 31 HG3 GLU 4 HG1 GLU 4 -6.167 9.299 3.663 32 H GLN 5 HN GLN 5 -2.312 7.978 2.815 33 HA GLN 5 HA GLN 5 -0.170 9.117 4.552 34 HB2 GLN 5 HB2 GLN 5 -1.285 6.360 4.150 35 HB3 GLN 5 HB1 GLN 5 0.380 6.539 4.703 36 HG2 GLN 5 HG2 GLN 5 -1.243 8.358 6.194 37 HG3 GLN 5 HG1 GLN 5 -2.016 6.773 6.238 38 HE21 GLN 5 HE21 GLN 5 -0.655 4.925 7.030 39 HE22 GLN 5 HE22 GLN 5 0.647 5.235 8.073 40 H CYS 6 HN CYS 6 -0.650 7.072 1.659 41 HA CYS 6 HA CYS 6 2.219 7.435 0.978 42 HB2 CYS 6 HB2 CYS 6 0.040 5.624 -0.074 43 HB3 CYS 6 HB1 CYS 6 1.581 5.811 -0.910 44 H CYS 7 HN CYS 7 -1.022 8.256 -0.161 45 HA CYS 7 HA CYS 7 -0.134 9.325 -2.705 46 HB2 CYS 7 HB2 CYS 7 -2.554 8.634 -1.753 47 HB3 CYS 7 HB1 CYS 7 -2.620 10.368 -1.440 48 H THR 8 HN THR 8 0.072 10.469 0.504 49 HA THR 8 HA THR 8 0.210 13.307 -0.393 50 HB THR 8 HB THR 8 -1.118 12.623 1.682 51 HG1 THR 8 HG1 THR 8 -0.743 14.681 1.855 52 HG21 THR 8 HG21 THR 8 1.678 12.292 2.804 53 HG22 THR 8 HG22 THR 8 0.543 10.975 2.504 54 HG23 THR 8 HG23 THR 8 0.173 12.199 3.718 55 H SER 9 HN SER 9 2.124 10.697 0.986 56 HA SER 9 HA SER 9 4.579 12.259 0.347 57 HB2 SER 9 HB2 SER 9 3.778 11.088 2.975 58 HB3 SER 9 HB1 SER 9 5.467 10.930 2.500 59 HG SER 9 HG SER 9 4.154 13.081 3.419 60 H ILE 10 HN ILE 10 6.461 10.813 0.009 61 HA ILE 10 HA ILE 10 5.633 8.363 -1.350 62 HB ILE 10 HB ILE 10 8.466 9.269 -0.804 63 HG12 ILE 10 HG12 ILE 10 7.153 11.139 -1.768 64 HG13 ILE 10 HG11 ILE 10 8.320 10.510 -2.932 65 HG21 ILE 10 HG21 ILE 10 8.534 8.187 -3.227 66 HG22 ILE 10 HG22 ILE 10 7.079 7.369 -2.656 67 HG23 ILE 10 HG23 ILE 10 8.599 7.175 -1.784 68 HD11 ILE 10 HD11 ILE 10 5.970 10.907 -3.839 69 HD12 ILE 10 HD12 ILE 10 5.449 9.561 -2.824 70 HD13 ILE 10 HD13 ILE 10 6.628 9.293 -4.109 71 H CYS 11 HN CYS 11 4.927 6.886 0.194 72 HA CYS 11 HA CYS 11 6.433 6.366 2.632 73 HB2 CYS 11 HB2 CYS 11 4.826 4.425 2.831 74 HB3 CYS 11 HB1 CYS 11 4.045 5.999 2.668 75 H SER 12 HN SER 12 7.407 4.243 3.114 76 HA SER 12 HA SER 12 8.930 3.229 0.794 77 HB2 SER 12 HB2 SER 12 10.183 1.950 2.535 78 HB3 SER 12 HB1 SER 12 10.168 3.683 2.849 79 HG SER 12 HG SER 12 9.029 1.604 4.247 80 H LEU 13 HN LEU 13 8.797 1.096 0.050 81 HA LEU 13 HA LEU 13 6.344 -0.210 0.007 82 HB2 LEU 13 HB2 LEU 13 8.500 -0.741 -1.320 83 HB3 LEU 13 HB1 LEU 13 8.922 -1.778 0.044 84 HG LEU 13 HG LEU 13 6.322 -2.515 -0.399 85 HD11 LEU 13 HD11 LEU 13 6.683 -2.935 -3.062 86 HD12 LEU 13 HD12 LEU 13 7.436 -1.350 -2.886 87 HD13 LEU 13 HD13 LEU 13 5.755 -1.585 -2.406 88 HD21 LEU 13 HD21 LEU 13 7.427 -4.476 -0.488 89 HD22 LEU 13 HD22 LEU 13 8.943 -3.600 -0.693 90 HD23 LEU 13 HD23 LEU 13 8.009 -4.090 -2.107 91 H TYR 14 HN TYR 14 8.718 -0.177 2.560 92 HA TYR 14 HA TYR 14 7.716 -2.512 3.949 93 HB2 TYR 14 HB2 TYR 14 9.980 -1.147 4.222 94 HB3 TYR 14 HB1 TYR 14 9.029 -0.240 5.405 95 HD1 TYR 14 HD1 TYR 14 9.880 -3.845 4.465 96 HD2 TYR 14 HD2 TYR 14 8.713 -1.174 7.651 97 HE1 TYR 14 HE1 TYR 14 10.124 -5.657 6.099 98 HE2 TYR 14 HE2 TYR 14 8.971 -3.007 9.260 99 HH TYR 14 HH TYR 14 10.622 -5.752 8.687 100 H GLN 15 HN GLN 15 6.908 0.922 3.931 101 HA GLN 15 HA GLN 15 5.243 0.859 6.283 102 HB2 GLN 15 HB2 GLN 15 5.712 2.720 4.017 103 HB3 GLN 15 HB1 GLN 15 4.121 2.832 4.770 104 HG2 GLN 15 HG2 GLN 15 6.782 2.996 6.219 105 HG3 GLN 15 HG1 GLN 15 5.706 4.353 5.880 106 HE21 GLN 15 HE21 GLN 15 3.195 3.114 6.467 107 HE22 GLN 15 HE22 GLN 15 3.145 2.760 8.126 108 H LEU 16 HN LEU 16 4.695 0.164 2.862 109 HA LEU 16 HA LEU 16 1.836 -0.090 3.065 110 HB2 LEU 16 HB2 LEU 16 3.857 -1.304 1.166 111 HB3 LEU 16 HB1 LEU 16 2.114 -1.510 0.994 112 HG LEU 16 HG LEU 16 2.725 0.325 -0.384 113 HD11 LEU 16 HD11 LEU 16 0.692 0.571 1.069 114 HD12 LEU 16 HD12 LEU 16 1.387 2.100 0.535 115 HD13 LEU 16 HD13 LEU 16 1.676 1.527 2.177 116 HD21 LEU 16 HD21 LEU 16 4.910 0.693 0.969 117 HD22 LEU 16 HD22 LEU 16 3.932 1.779 1.956 118 HD23 LEU 16 HD23 LEU 16 4.143 2.101 0.234 119 H GLU 17 HN GLU 17 4.547 -2.275 3.628 120 HA GLU 17 HA GLU 17 3.229 -4.733 3.802 121 HB2 GLU 17 HB2 GLU 17 5.611 -3.521 5.054 122 HB3 GLU 17 HB1 GLU 17 4.891 -4.830 5.983 123 HG2 GLU 17 HG2 GLU 17 6.508 -5.810 4.480 124 HG3 GLU 17 HG1 GLU 17 4.903 -6.221 3.877 125 H ASN 18 HN ASN 18 3.249 -2.011 6.057 126 HA ASN 18 HA ASN 18 1.720 -3.414 8.106 127 HB2 ASN 18 HB2 ASN 18 3.199 -1.408 8.526 128 HB3 ASN 18 HB1 ASN 18 1.989 -0.422 7.706 129 HD21 ASN 18 HD21 ASN 18 2.263 -2.778 10.420 130 HD22 ASN 18 HD22 ASN 18 1.055 -2.053 11.366 131 H TYR 19 HN TYR 19 0.969 -1.749 5.171 132 HA TYR 19 HA TYR 19 -1.690 -0.896 5.706 133 HB2 TYR 19 HB2 TYR 19 -0.316 -1.831 3.160 134 HB3 TYR 19 HB1 TYR 19 -2.002 -1.260 3.175 135 HD1 TYR 19 HD1 TYR 19 0.590 0.201 5.541 136 HD2 TYR 19 HD2 TYR 19 -1.528 0.874 1.830 137 HE1 TYR 19 HE1 TYR 19 1.338 2.516 5.499 138 HE2 TYR 19 HE2 TYR 19 -0.756 3.185 1.830 139 HH TYR 19 HH TYR 19 1.487 4.385 4.293 140 H CYS 20 HN CYS 20 -0.347 -4.054 5.359 141 HA CYS 20 HA CYS 20 -3.020 -5.249 4.859 142 HB2 CYS 20 HB2 CYS 20 -0.379 -6.694 5.164 143 HB3 CYS 20 HB1 CYS 20 -1.860 -7.301 4.424 144 H ASN 21 HN ASN 21 -3.033 -4.042 7.277 145 HA ASN 21 HA ASN 21 -2.384 -6.150 9.280 146 HB2 ASN 21 HB2 ASN 21 -1.778 -3.558 9.434 147 HB3 ASN 21 HB1 ASN 21 -3.420 -3.460 10.071 148 HD21 ASN 21 HD21 ASN 21 -3.202 -6.269 11.202 149 HD22 ASN 21 HD22 ASN 21 -2.238 -6.105 12.590 150 H1 PHE 22 HT1 PHE 22 10.897 -0.993 -1.954 151 H2 PHE 22 HT2 PHE 22 11.398 -2.024 -3.208 152 H3 PHE 22 HT3 PHE 22 9.823 -1.387 -3.206 153 HA PHE 22 HA PHE 22 12.330 0.175 -3.515 154 HB2 PHE 22 HB2 PHE 22 11.386 0.589 -5.809 155 HB3 PHE 22 HB1 PHE 22 11.841 -1.091 -5.527 156 HD1 PHE 22 HD1 PHE 22 9.028 1.264 -5.894 157 HD2 PHE 22 HD2 PHE 22 10.155 -2.838 -5.283 158 HE1 PHE 22 HE1 PHE 22 6.708 0.550 -6.407 159 HE2 PHE 22 HE2 PHE 22 7.835 -3.552 -5.795 160 HZ PHE 22 HZ PHE 22 6.111 -1.858 -6.358 161 H VAL 23 HN VAL 23 12.071 2.308 -3.024 162 HA VAL 23 HA VAL 23 9.274 3.312 -2.669 163 HB VAL 23 HB VAL 23 10.863 3.160 -0.646 164 HG11 VAL 23 HG11 VAL 23 12.003 5.760 -1.150 165 HG12 VAL 23 HG12 VAL 23 12.521 4.600 -2.374 166 HG13 VAL 23 HG13 VAL 23 12.805 4.266 -0.665 167 HG21 VAL 23 HG21 VAL 23 10.057 5.996 -0.865 168 HG22 VAL 23 HG22 VAL 23 9.670 4.813 0.377 169 HG23 VAL 23 HG23 VAL 23 8.779 4.812 -1.145 170 H ASN 24 HN ASN 24 9.708 5.980 -2.640 171 HA ASN 24 HA ASN 24 10.327 7.878 -3.891 172 HB2 ASN 24 HB2 ASN 24 11.780 6.036 -5.801 173 HB3 ASN 24 HB1 ASN 24 12.010 7.768 -5.575 174 HD21 ASN 24 HD21 ASN 24 13.453 4.872 -4.826 175 HD22 ASN 24 HD22 ASN 24 14.247 5.315 -3.392 176 H GLN 25 HN GLN 25 7.944 6.310 -4.197 177 HA GLN 25 HA GLN 25 7.230 7.129 -6.963 178 HB2 GLN 25 HB2 GLN 25 7.378 4.390 -5.986 179 HB3 GLN 25 HB1 GLN 25 5.743 4.796 -6.505 180 HG2 GLN 25 HG2 GLN 25 6.588 5.564 -8.671 181 HG3 GLN 25 HG1 GLN 25 8.245 5.247 -8.157 182 HE21 GLN 25 HE21 GLN 25 8.590 3.589 -9.793 183 HE22 GLN 25 HE22 GLN 25 7.819 2.079 -9.704 184 H HIS 26 HN HIS 26 4.652 6.896 -7.114 185 HA HIS 26 HA HIS 26 3.492 7.610 -4.454 186 HB2 HIS 26 HB2 HIS 26 4.036 9.477 -6.414 187 HB3 HIS 26 HB1 HIS 26 2.347 9.076 -6.729 188 HD2 HIS 26 HD2 HIS 26 1.234 11.342 -5.500 189 HE1 HIS 26 HE1 HIS 26 2.953 10.676 -1.692 190 HE2 HIS 26 HE2 HIS 26 1.303 12.109 -3.013 191 H LEU 27 HN LEU 27 0.912 7.701 -4.796 192 HA LEU 27 HA LEU 27 -0.045 5.873 -6.871 193 HB2 LEU 27 HB2 LEU 27 -1.025 4.499 -4.695 194 HB3 LEU 27 HB1 LEU 27 0.346 3.994 -5.677 195 HG LEU 27 HG LEU 27 1.900 5.054 -4.149 196 HD11 LEU 27 HD11 LEU 27 1.311 6.729 -2.751 197 HD12 LEU 27 HD12 LEU 27 0.005 5.772 -2.054 198 HD13 LEU 27 HD13 LEU 27 -0.273 6.704 -3.524 199 HD21 LEU 27 HD21 LEU 27 1.449 3.729 -2.129 200 HD22 LEU 27 HD22 LEU 27 1.063 2.797 -3.576 201 HD23 LEU 27 HD23 LEU 27 -0.231 3.527 -2.626 202 H CYS 28 HN CYS 28 -2.389 5.049 -5.714 203 HA CYS 28 HA CYS 28 -4.143 6.342 -4.241 204 HB2 CYS 28 HB2 CYS 28 -3.242 8.350 -6.183 205 HB3 CYS 28 HB1 CYS 28 -4.983 8.115 -6.205 206 H GLY 29 HN GLY 29 -6.369 6.006 -4.871 207 HA2 GLY 29 HA2 GLY 29 -7.969 4.610 -5.881 208 HA3 GLY 29 HA1 GLY 29 -7.351 5.305 -7.381 209 H SER 30 HN SER 30 -6.650 3.801 -8.798 210 HA SER 30 HA SER 30 -6.321 1.042 -8.116 211 HB2 SER 30 HB2 SER 30 -4.866 1.580 -10.495 212 HB3 SER 30 HB1 SER 30 -6.490 0.912 -10.352 213 HG SER 30 HG SER 30 -5.662 3.430 -11.037 214 H ASP 31 HN ASP 31 -3.842 3.510 -8.959 215 HA ASP 31 HA ASP 31 -1.535 2.008 -8.704 216 HB2 ASP 31 HB2 ASP 31 -1.824 4.722 -7.397 217 HB3 ASP 31 HB1 ASP 31 -0.359 4.002 -8.058 218 H LEU 32 HN LEU 32 -3.546 3.241 -6.043 219 HA LEU 32 HA LEU 32 -1.756 2.360 -3.964 220 HB2 LEU 32 HB2 LEU 32 -4.106 3.828 -4.051 221 HB3 LEU 32 HB1 LEU 32 -4.605 2.333 -3.259 222 HG LEU 32 HG LEU 32 -2.175 2.885 -2.054 223 HD11 LEU 32 HD11 LEU 32 -2.849 5.245 -3.317 224 HD12 LEU 32 HD12 LEU 32 -1.805 5.118 -1.901 225 HD13 LEU 32 HD13 LEU 32 -3.521 5.474 -1.702 226 HD21 LEU 32 HD21 LEU 32 -3.985 3.998 -0.330 227 HD22 LEU 32 HD22 LEU 32 -3.741 2.261 -0.519 228 HD23 LEU 32 HD23 LEU 32 -5.049 3.067 -1.385 229 H VAL 33 HN VAL 33 -4.984 0.977 -4.688 230 HA VAL 33 HA VAL 33 -4.602 -1.488 -3.430 231 HB VAL 33 HB VAL 33 -6.274 -2.404 -4.994 232 HG11 VAL 33 HG11 VAL 33 -6.579 -0.190 -3.320 233 HG12 VAL 33 HG12 VAL 33 -7.876 -1.200 -3.962 234 HG13 VAL 33 HG13 VAL 33 -7.404 0.274 -4.809 235 HG21 VAL 33 HG21 VAL 33 -7.046 -0.991 -6.889 236 HG22 VAL 33 HG22 VAL 33 -5.356 -1.460 -7.070 237 HG23 VAL 33 HG23 VAL 33 -5.766 0.166 -6.528 238 H GLU 34 HN GLU 34 -3.273 -0.317 -6.439 239 HA GLU 34 HA GLU 34 -2.382 -2.911 -7.393 240 HB2 GLU 34 HB2 GLU 34 -2.123 -0.085 -8.217 241 HB3 GLU 34 HB1 GLU 34 -0.741 -1.101 -8.624 242 HG2 GLU 34 HG2 GLU 34 -2.195 -2.697 -9.761 243 HG3 GLU 34 HG1 GLU 34 -3.622 -1.778 -9.279 244 H ALA 35 HN ALA 35 -0.565 -0.085 -6.107 245 HA ALA 35 HA ALA 35 1.879 -1.501 -5.751 246 HB1 ALA 35 HB1 ALA 35 0.721 0.903 -4.311 247 HB2 ALA 35 HB2 ALA 35 1.907 0.903 -5.617 248 HB3 ALA 35 HB3 ALA 35 2.355 0.306 -4.019 249 H LEU 36 HN LEU 36 -0.888 -0.992 -3.598 250 HA LEU 36 HA LEU 36 0.144 -2.273 -1.270 251 HB2 LEU 36 HB2 LEU 36 -2.608 -1.772 -2.386 252 HB3 LEU 36 HB1 LEU 36 -2.426 -2.807 -0.973 253 HG LEU 36 HG LEU 36 -2.805 -0.230 -0.657 254 HD11 LEU 36 HD11 LEU 36 -0.701 -0.663 1.154 255 HD12 LEU 36 HD12 LEU 36 -1.354 -2.262 0.799 256 HD13 LEU 36 HD13 LEU 36 -2.413 -0.992 1.410 257 HD21 LEU 36 HD21 LEU 36 -0.705 1.045 -0.532 258 HD22 LEU 36 HD22 LEU 36 -0.953 0.446 -2.171 259 HD23 LEU 36 HD23 LEU 36 0.197 -0.359 -1.104 260 H TYR 37 HN TYR 37 -1.197 -3.501 -4.250 261 HA TYR 37 HA TYR 37 -1.507 -6.236 -3.249 262 HB2 TYR 37 HB2 TYR 37 -3.054 -5.503 -4.943 263 HB3 TYR 37 HB1 TYR 37 -1.734 -4.990 -6.002 264 HD1 TYR 37 HD2 TYR 37 -0.290 -6.729 -7.196 265 HD2 TYR 37 HD1 TYR 37 -3.567 -7.990 -4.679 266 HE1 TYR 37 HE2 TYR 37 -0.161 -8.992 -8.131 267 HE2 TYR 37 HE1 TYR 37 -3.406 -10.245 -5.632 268 HH TYR 37 HH TYR 37 -0.908 -11.071 -8.026 269 H LEU 38 HN LEU 38 1.081 -4.369 -4.470 270 HA LEU 38 HA LEU 38 2.524 -6.720 -5.535 271 HB2 LEU 38 HB2 LEU 38 4.035 -4.210 -5.139 272 HB3 LEU 38 HB1 LEU 38 3.951 -5.260 -6.551 273 HG LEU 38 HG LEU 38 1.812 -3.307 -5.690 274 HD11 LEU 38 HD11 LEU 38 3.955 -3.241 -7.812 275 HD12 LEU 38 HD12 LEU 38 3.611 -2.033 -6.574 276 HD13 LEU 38 HD13 LEU 38 2.504 -2.247 -7.930 277 HD21 LEU 38 HD21 LEU 38 2.059 -5.113 -8.106 278 HD22 LEU 38 HD22 LEU 38 0.822 -3.872 -7.903 279 HD23 LEU 38 HD23 LEU 38 0.869 -5.257 -6.813 280 H VAL 39 HN VAL 39 2.760 -4.392 -2.876 281 HA VAL 39 HA VAL 39 5.085 -5.560 -1.671 282 HB VAL 39 HB VAL 39 4.687 -4.070 0.111 283 HG11 VAL 39 HG11 VAL 39 4.472 -2.075 -1.009 284 HG12 VAL 39 HG12 VAL 39 3.014 -2.590 -1.857 285 HG13 VAL 39 HG13 VAL 39 4.596 -3.142 -2.408 286 HG21 VAL 39 HG21 VAL 39 2.391 -5.021 0.608 287 HG22 VAL 39 HG22 VAL 39 1.755 -3.957 -0.646 288 HG23 VAL 39 HG23 VAL 39 2.515 -3.275 0.790 289 H CYS 40 HN CYS 40 1.609 -6.125 -1.290 290 HA CYS 40 HA CYS 40 2.229 -8.332 0.620 291 HB2 CYS 40 HB2 CYS 40 -0.106 -6.540 0.186 292 HB3 CYS 40 HB1 CYS 40 -0.463 -8.198 0.666 293 H GLY 41 HN GLY 41 2.317 -8.187 -2.492 294 HA2 GLY 41 HA2 GLY 41 0.267 -9.813 -3.574 295 HA3 GLY 41 HA1 GLY 41 1.907 -9.721 -4.219 296 H GLU 42 HN GLU 42 3.504 -11.217 -3.391 297 HA GLU 42 HA GLU 42 2.613 -13.868 -3.024 298 HB2 GLU 42 HB2 GLU 42 4.893 -13.427 -3.709 299 HB3 GLU 42 HB1 GLU 42 5.220 -12.560 -2.208 300 HG2 GLU 42 HG2 GLU 42 4.715 -14.683 -0.954 301 HG3 GLU 42 HG1 GLU 42 4.611 -15.514 -2.507 302 H ARG 43 HN ARG 43 4.588 -12.565 -0.453 303 HA ARG 43 HA ARG 43 3.457 -13.993 1.648 304 HB2 ARG 43 HB2 ARG 43 4.193 -11.990 3.093 305 HB3 ARG 43 HB1 ARG 43 5.438 -12.767 2.112 306 HG2 ARG 43 HG2 ARG 43 5.506 -11.021 0.569 307 HG3 ARG 43 HG1 ARG 43 3.873 -10.480 0.957 308 HD2 ARG 43 HD2 ARG 43 5.855 -9.050 1.823 309 HD3 ARG 43 HD1 ARG 43 4.562 -9.438 2.958 310 HE ARG 43 HE ARG 43 7.124 -10.982 2.864 311 HH11 ARG 43 HH21 ARG 43 4.181 -10.629 4.432 312 HH12 ARG 43 HH22 ARG 43 4.839 -10.559 6.033 313 HH21 ARG 43 HH11 ARG 43 8.133 -10.393 4.956 314 HH22 ARG 43 HH12 ARG 43 7.078 -10.424 6.330 315 H GLY 44 HN GLY 44 2.163 -12.873 3.535 316 HA2 GLY 44 HA2 GLY 44 0.271 -11.613 4.241 317 HA3 GLY 44 HA1 GLY 44 0.147 -10.943 2.612 318 H GLY 45 HN GLY 45 -1.052 -12.089 1.032 319 HA2 GLY 45 HA2 GLY 45 -2.298 -14.014 0.245 320 HA3 GLY 45 HA1 GLY 45 -2.349 -14.619 1.901 321 H PHE 46 HN PHE 46 -3.074 -11.276 1.082 322 HA PHE 46 HA PHE 46 -5.947 -11.653 0.978 323 HB2 PHE 46 HB2 PHE 46 -5.021 -11.880 3.508 324 HB3 PHE 46 HB1 PHE 46 -5.163 -10.098 3.408 325 HD1 PHE 46 HD2 PHE 46 -7.549 -10.700 1.058 326 HD2 PHE 46 HD1 PHE 46 -7.085 -11.641 5.256 327 HE1 PHE 46 HE2 PHE 46 -9.972 -10.871 1.319 328 HE2 PHE 46 HE1 PHE 46 -9.513 -11.803 5.469 329 HZ PHE 46 HZ PHE 46 -10.966 -11.422 3.510 330 H TYR 47 HN TYR 47 -6.555 -9.058 2.141 331 HA TYR 47 HA TYR 47 -4.927 -7.175 0.534 332 HB2 TYR 47 HB2 TYR 47 -6.633 -7.804 -1.040 333 HB3 TYR 47 HB1 TYR 47 -7.905 -7.658 0.209 334 HD1 TYR 47 HD1 TYR 47 -4.987 -5.261 -0.564 335 HD2 TYR 47 HD2 TYR 47 -9.289 -5.710 -0.486 336 HE1 TYR 47 HE1 TYR 47 -5.272 -2.892 -1.087 337 HE2 TYR 47 HE2 TYR 47 -9.527 -3.337 -1.014 338 HH TYR 47 HH TYR 47 -7.653 -1.152 -0.547 339 H THR 48 HN THR 48 -8.127 -6.413 1.674 340 HA THR 48 HA THR 48 -7.353 -5.492 4.295 341 HB THR 48 HB THR 48 -7.554 -3.452 2.069 342 HG1 THR 48 HG1 THR 48 -5.569 -4.435 3.760 343 HG21 THR 48 HG21 THR 48 -7.392 -2.948 5.050 344 HG22 THR 48 HG22 THR 48 -8.880 -2.825 4.111 345 HG23 THR 48 HG23 THR 48 -7.532 -1.738 3.775 346 H LYS 49 HN LYS 49 -9.559 -5.232 1.574 347 HA LYS 49 HA LYS 49 -11.909 -5.317 1.532 348 HB2 LYS 49 HB2 LYS 49 -11.265 -6.887 3.648 349 HB3 LYS 49 HB1 LYS 49 -12.159 -5.611 4.476 350 HG2 LYS 49 HG2 LYS 49 -13.991 -5.916 2.747 351 HG3 LYS 49 HG1 LYS 49 -13.128 -7.353 2.196 352 HD2 LYS 49 HD2 LYS 49 -13.233 -8.236 4.547 353 HD3 LYS 49 HD1 LYS 49 -14.259 -6.863 4.965 354 HE2 LYS 49 HE2 LYS 49 -15.840 -8.509 4.451 355 HE3 LYS 49 HE1 LYS 49 -15.693 -7.648 2.918 356 HZ1 LYS 49 HZ1 LYS 49 -15.121 -10.348 3.482 357 HZ2 LYS 49 HZ2 LYS 49 -13.697 -9.579 2.967 358 HZ3 LYS 49 HZ3 LYS 49 -15.085 -9.546 1.988 359 HA PRO 50 HA PRO 50 -11.792 -1.010 3.174 360 HB2 PRO 50 HB2 PRO 50 -12.182 0.189 0.730 361 HB3 PRO 50 HB1 PRO 50 -10.583 -0.191 1.395 362 HG2 PRO 50 HG2 PRO 50 -12.094 -1.580 -0.770 363 HG3 PRO 50 HG1 PRO 50 -10.345 -1.480 -0.508 364 HD2 PRO 50 HD2 PRO 50 -11.980 -3.696 0.122 365 HD3 PRO 50 HD1 PRO 50 -10.320 -3.432 0.696 366 H THR 51 HN THR 51 -13.590 0.737 2.687 367 HA THR 51 HA THR 51 -15.894 1.162 2.943 368 HB THR 51 HB THR 51 -17.161 0.673 0.976 369 HG1 THR 51 HG1 THR 51 -17.052 -1.316 0.349 370 HG21 THR 51 HG21 THR 51 -14.238 0.783 0.181 371 HG22 THR 51 HG22 THR 51 -15.220 2.177 0.634 372 HG23 THR 51 HG23 THR 51 -15.605 1.264 -0.825 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -6.153 5.039 8.343 2 H2 GLY 1 HT2 GLY 1 -5.314 5.511 9.742 3 H3 GLY 1 HT3 GLY 1 -4.827 4.129 8.884 4 HA2 GLY 1 HA1 GLY 1 -4.749 6.330 7.181 5 HA3 GLY 1 HA2 GLY 1 -3.825 6.754 8.654 6 H ILE 2 HN ILE 2 -4.987 4.258 6.203 7 HA ILE 2 HA ILE 2 -2.284 3.467 5.430 8 HB ILE 2 HB ILE 2 -5.039 2.777 4.385 9 HG12 ILE 2 HG12 ILE 2 -4.249 1.838 6.588 10 HG13 ILE 2 HG11 ILE 2 -4.577 0.609 5.366 11 HG21 ILE 2 HG21 ILE 2 -3.336 0.919 3.301 12 HG22 ILE 2 HG22 ILE 2 -2.383 2.397 3.167 13 HG23 ILE 2 HG23 ILE 2 -3.983 2.310 2.432 14 HD11 ILE 2 HD11 ILE 2 -1.856 1.728 6.102 15 HD12 ILE 2 HD12 ILE 2 -2.149 0.583 4.793 16 HD13 ILE 2 HD13 ILE 2 -2.453 0.109 6.464 17 H VAL 3 HN VAL 3 -5.003 4.839 3.538 18 HA VAL 3 HA VAL 3 -3.229 5.718 1.419 19 HB VAL 3 HB VAL 3 -5.166 6.572 0.366 20 HG11 VAL 3 HG11 VAL 3 -6.082 4.527 0.198 21 HG12 VAL 3 HG12 VAL 3 -6.888 4.749 1.750 22 HG13 VAL 3 HG13 VAL 3 -5.271 4.049 1.689 23 HG21 VAL 3 HG21 VAL 3 -6.317 8.050 1.670 24 HG22 VAL 3 HG22 VAL 3 -5.965 7.160 3.152 25 HG23 VAL 3 HG23 VAL 3 -7.286 6.642 2.105 26 H GLU 4 HN GLU 4 -4.031 6.950 4.483 27 HA GLU 4 HA GLU 4 -3.534 9.765 3.757 28 HB2 GLU 4 HB2 GLU 4 -3.707 8.777 6.586 29 HB3 GLU 4 HB1 GLU 4 -4.280 10.298 5.898 30 HG2 GLU 4 HG2 GLU 4 -6.014 9.016 4.626 31 HG3 GLU 4 HG1 GLU 4 -5.494 7.552 5.461 32 H GLN 5 HN GLN 5 -1.679 7.048 4.487 33 HA GLN 5 HA GLN 5 0.485 8.635 5.764 34 HB2 GLN 5 HB2 GLN 5 -0.134 5.722 5.491 35 HB3 GLN 5 HB1 GLN 5 1.560 6.194 5.629 36 HG2 GLN 5 HG2 GLN 5 -0.250 7.540 7.536 37 HG3 GLN 5 HG1 GLN 5 -0.093 5.799 7.770 38 HE21 GLN 5 HE21 GLN 5 2.152 4.943 8.082 39 HE22 GLN 5 HE22 GLN 5 3.359 5.967 8.696 40 H CYS 6 HN CYS 6 0.037 6.411 2.994 41 HA CYS 6 HA CYS 6 2.569 7.335 1.815 42 HB2 CYS 6 HB2 CYS 6 0.500 5.281 1.066 43 HB3 CYS 6 HB1 CYS 6 1.701 5.804 -0.113 44 H CYS 7 HN CYS 7 -0.691 7.039 0.355 45 HA CYS 7 HA CYS 7 -0.380 8.731 -1.784 46 HB2 CYS 7 HB2 CYS 7 -2.514 7.504 -0.819 47 HB3 CYS 7 HB1 CYS 7 -2.869 9.107 -0.170 48 H THR 8 HN THR 8 -0.461 9.729 1.576 49 HA THR 8 HA THR 8 -0.987 12.525 1.018 50 HB THR 8 HB THR 8 -1.215 11.256 3.275 51 HG1 THR 8 HG1 THR 8 -1.543 13.454 3.142 52 HG21 THR 8 HG21 THR 8 1.584 12.207 3.765 53 HG22 THR 8 HG22 THR 8 1.342 10.625 3.023 54 HG23 THR 8 HG23 THR 8 0.660 10.967 4.613 55 H SER 9 HN SER 9 1.842 10.495 1.017 56 HA SER 9 HA SER 9 3.418 12.658 -0.189 57 HB2 SER 9 HB2 SER 9 4.026 11.519 2.545 58 HB3 SER 9 HB1 SER 9 5.290 12.219 1.543 59 HG SER 9 HG SER 9 4.080 14.142 1.482 60 H ILE 10 HN ILE 10 5.961 11.272 0.196 61 HA ILE 10 HA ILE 10 5.348 8.849 -1.429 62 HB ILE 10 HB ILE 10 8.096 10.041 -1.243 63 HG12 ILE 10 HG12 ILE 10 6.428 11.899 -1.663 64 HG13 ILE 10 HG11 ILE 10 7.578 11.647 -2.976 65 HG21 ILE 10 HG21 ILE 10 6.573 8.175 -2.928 66 HG22 ILE 10 HG22 ILE 10 8.316 8.309 -2.692 67 HG23 ILE 10 HG23 ILE 10 7.500 9.357 -3.852 68 HD11 ILE 10 HD11 ILE 10 5.902 10.257 -4.165 69 HD12 ILE 10 HD12 ILE 10 5.302 11.890 -3.877 70 HD13 ILE 10 HD13 ILE 10 4.749 10.556 -2.865 71 H CYS 11 HN CYS 11 5.466 7.000 -0.283 72 HA CYS 11 HA CYS 11 7.219 6.918 2.118 73 HB2 CYS 11 HB2 CYS 11 5.977 4.686 2.490 74 HB3 CYS 11 HB1 CYS 11 5.045 6.168 2.682 75 H SER 12 HN SER 12 8.243 4.629 2.461 76 HA SER 12 HA SER 12 9.600 3.913 -0.100 77 HB2 SER 12 HB2 SER 12 11.507 3.345 1.157 78 HB3 SER 12 HB1 SER 12 10.885 4.763 1.996 79 HG SER 12 HG SER 12 10.812 3.500 3.667 80 H LEU 13 HN LEU 13 9.889 1.677 -0.616 81 HA LEU 13 HA LEU 13 7.734 -0.041 -0.269 82 HB2 LEU 13 HB2 LEU 13 10.251 -0.222 -1.458 83 HB3 LEU 13 HB1 LEU 13 10.237 -1.537 -0.282 84 HG LEU 13 HG LEU 13 7.816 -1.961 -1.259 85 HD11 LEU 13 HD11 LEU 13 7.286 -0.808 -3.122 86 HD12 LEU 13 HD12 LEU 13 8.784 -1.317 -3.901 87 HD13 LEU 13 HD13 LEU 13 8.757 0.141 -2.909 88 HD21 LEU 13 HD21 LEU 13 10.130 -2.717 -3.036 89 HD22 LEU 13 HD22 LEU 13 8.743 -3.694 -2.554 90 HD23 LEU 13 HD23 LEU 13 10.024 -3.347 -1.392 91 H TYR 14 HN TYR 14 10.355 0.582 1.972 92 HA TYR 14 HA TYR 14 10.023 -1.707 3.653 93 HB2 TYR 14 HB2 TYR 14 11.964 -0.346 3.979 94 HB3 TYR 14 HB1 TYR 14 10.991 1.116 4.178 95 HD1 TYR 14 HD1 TYR 14 10.865 -2.383 5.756 96 HD2 TYR 14 HD2 TYR 14 10.963 1.874 6.479 97 HE1 TYR 14 HE1 TYR 14 10.717 -2.769 8.175 98 HE2 TYR 14 HE2 TYR 14 10.817 1.453 8.889 99 HH TYR 14 HH TYR 14 10.212 -1.741 10.175 100 H GLN 15 HN GLN 15 8.517 1.520 3.730 101 HA GLN 15 HA GLN 15 6.903 1.074 6.039 102 HB2 GLN 15 HB2 GLN 15 6.811 2.942 3.700 103 HB3 GLN 15 HB1 GLN 15 5.380 2.814 4.723 104 HG2 GLN 15 HG2 GLN 15 7.452 2.971 6.559 105 HG3 GLN 15 HG1 GLN 15 7.955 4.084 5.287 106 HE21 GLN 15 HE21 GLN 15 5.064 3.283 7.282 107 HE22 GLN 15 HE22 GLN 15 4.480 4.876 7.342 108 H LEU 16 HN LEU 16 6.023 0.801 2.566 109 HA LEU 16 HA LEU 16 3.420 -0.181 2.911 110 HB2 LEU 16 HB2 LEU 16 5.471 -0.959 0.822 111 HB3 LEU 16 HB1 LEU 16 3.757 -1.354 0.729 112 HG LEU 16 HG LEU 16 3.833 0.588 -0.505 113 HD11 LEU 16 HD11 LEU 16 2.393 0.769 1.673 114 HD12 LEU 16 HD12 LEU 16 2.630 2.199 0.670 115 HD13 LEU 16 HD13 LEU 16 3.586 1.982 2.135 116 HD21 LEU 16 HD21 LEU 16 5.481 2.254 1.284 117 HD22 LEU 16 HD22 LEU 16 5.528 2.104 -0.473 118 HD23 LEU 16 HD23 LEU 16 6.329 0.900 0.537 119 H GLU 17 HN GLU 17 6.497 -1.934 3.077 120 HA GLU 17 HA GLU 17 5.564 -4.571 3.184 121 HB2 GLU 17 HB2 GLU 17 7.887 -3.107 4.274 122 HB3 GLU 17 HB1 GLU 17 7.475 -4.579 5.144 123 HG2 GLU 17 HG2 GLU 17 7.246 -5.342 2.490 124 HG3 GLU 17 HG1 GLU 17 8.641 -4.263 2.477 125 H ASN 18 HN ASN 18 5.422 -2.018 5.602 126 HA ASN 18 HA ASN 18 4.407 -3.738 7.727 127 HB2 ASN 18 HB2 ASN 18 5.285 -1.041 7.476 128 HB3 ASN 18 HB1 ASN 18 3.627 -0.993 8.076 129 HD21 ASN 18 HD21 ASN 18 3.734 -0.823 10.322 130 HD22 ASN 18 HD22 ASN 18 4.757 -1.743 11.317 131 H TYR 19 HN TYR 19 3.060 -2.090 5.002 132 HA TYR 19 HA TYR 19 0.347 -1.829 5.928 133 HB2 TYR 19 HB2 TYR 19 1.593 -2.035 3.164 134 HB3 TYR 19 HB1 TYR 19 -0.159 -1.813 3.409 135 HD1 TYR 19 HD1 TYR 19 2.885 -0.262 5.234 136 HD2 TYR 19 HD2 TYR 19 -0.722 0.543 2.988 137 HE1 TYR 19 HE1 TYR 19 3.211 2.137 5.509 138 HE2 TYR 19 HE2 TYR 19 -0.359 2.930 3.288 139 HH TYR 19 HH TYR 19 1.432 4.261 5.499 140 H CYS 20 HN CYS 20 2.241 -4.531 4.967 141 HA CYS 20 HA CYS 20 -0.030 -6.177 4.115 142 HB2 CYS 20 HB2 CYS 20 2.653 -7.285 4.908 143 HB3 CYS 20 HB1 CYS 20 1.546 -7.848 3.657 144 H ASN 21 HN ASN 21 -0.714 -5.201 6.545 145 HA ASN 21 HA ASN 21 -0.253 -7.507 8.398 146 HB2 ASN 21 HB2 ASN 21 0.564 -5.076 9.003 147 HB3 ASN 21 HB1 ASN 21 -1.140 -4.806 9.366 148 HD21 ASN 21 HD21 ASN 21 0.988 -4.858 11.377 149 HD22 ASN 21 HD22 ASN 21 0.664 -6.164 12.412 150 H1 PHE 22 HT1 PHE 22 7.070 -1.564 -6.963 151 H2 PHE 22 HT2 PHE 22 8.408 -2.086 -7.869 152 H3 PHE 22 HT3 PHE 22 7.579 -0.672 -8.312 153 HA PHE 22 HA PHE 22 9.164 -1.074 -5.835 154 HB2 PHE 22 HB2 PHE 22 10.084 -0.536 -8.359 155 HB3 PHE 22 HB1 PHE 22 9.817 1.091 -7.732 156 HD1 PHE 22 HD1 PHE 22 10.956 -2.134 -6.180 157 HD2 PHE 22 HD2 PHE 22 11.802 2.012 -6.931 158 HE1 PHE 22 HE1 PHE 22 13.027 -2.312 -4.826 159 HE2 PHE 22 HE2 PHE 22 13.874 1.834 -5.577 160 HZ PHE 22 HZ PHE 22 14.487 -0.328 -4.525 161 H VAL 23 HN VAL 23 9.702 1.743 -5.706 162 HA VAL 23 HA VAL 23 6.971 2.828 -5.167 163 HB VAL 23 HB VAL 23 8.517 2.030 -3.169 164 HG11 VAL 23 HG11 VAL 23 10.258 3.350 -2.576 165 HG12 VAL 23 HG12 VAL 23 9.393 4.830 -2.987 166 HG13 VAL 23 HG13 VAL 23 10.205 3.904 -4.249 167 HG21 VAL 23 HG21 VAL 23 6.356 3.763 -3.467 168 HG22 VAL 23 HG22 VAL 23 7.501 4.670 -2.479 169 HG23 VAL 23 HG23 VAL 23 6.943 3.083 -1.949 170 H ASN 24 HN ASN 24 8.045 5.302 -4.210 171 HA ASN 24 HA ASN 24 9.068 7.313 -4.961 172 HB2 ASN 24 HB2 ASN 24 10.546 5.580 -6.374 173 HB3 ASN 24 HB1 ASN 24 9.587 6.248 -7.696 174 HD21 ASN 24 HD21 ASN 24 12.308 6.834 -5.682 175 HD22 ASN 24 HD22 ASN 24 12.560 8.458 -6.108 176 H GLN 25 HN GLN 25 6.385 5.756 -5.894 177 HA GLN 25 HA GLN 25 5.499 8.014 -7.649 178 HB2 GLN 25 HB2 GLN 25 5.566 5.349 -8.347 179 HB3 GLN 25 HB1 GLN 25 3.914 5.535 -7.759 180 HG2 GLN 25 HG2 GLN 25 4.037 6.016 -10.173 181 HG3 GLN 25 HG1 GLN 25 3.596 7.466 -9.271 182 HE21 GLN 25 HE21 GLN 25 4.790 9.285 -9.838 183 HE22 GLN 25 HE22 GLN 25 6.354 9.261 -10.495 184 H HIS 26 HN HIS 26 3.297 8.742 -7.256 185 HA HIS 26 HA HIS 26 2.555 8.560 -4.434 186 HB2 HIS 26 HB2 HIS 26 2.160 10.424 -6.465 187 HB3 HIS 26 HB1 HIS 26 0.557 9.719 -6.244 188 HD2 HIS 26 HD2 HIS 26 -0.375 11.992 -4.784 189 HE1 HIS 26 HE1 HIS 26 2.339 11.500 -1.572 190 HE2 HIS 26 HE2 HIS 26 0.284 12.785 -2.391 191 H LEU 27 HN LEU 27 0.198 7.850 -3.860 192 HA LEU 27 HA LEU 27 -1.071 6.092 -5.818 193 HB2 LEU 27 HB2 LEU 27 -0.798 4.205 -3.850 194 HB3 LEU 27 HB1 LEU 27 0.143 4.266 -5.335 195 HG LEU 27 HG LEU 27 1.931 5.471 -4.222 196 HD11 LEU 27 HD11 LEU 27 1.791 6.431 -2.126 197 HD12 LEU 27 HD12 LEU 27 0.622 5.246 -1.547 198 HD13 LEU 27 HD13 LEU 27 0.100 6.559 -2.591 199 HD21 LEU 27 HD21 LEU 27 2.574 3.380 -3.673 200 HD22 LEU 27 HD22 LEU 27 0.917 2.898 -3.312 201 HD23 LEU 27 HD23 LEU 27 1.895 3.688 -2.075 202 H CYS 28 HN CYS 28 -3.181 5.883 -5.436 203 HA CYS 28 HA CYS 28 -4.198 6.112 -2.665 204 HB2 CYS 28 HB2 CYS 28 -4.688 8.015 -4.859 205 HB3 CYS 28 HB1 CYS 28 -6.166 7.394 -4.128 206 H GLY 29 HN GLY 29 -6.330 5.128 -2.438 207 HA2 GLY 29 HA2 GLY 29 -7.609 3.161 -2.762 208 HA3 GLY 29 HA1 GLY 29 -8.032 4.014 -4.243 209 H SER 30 HN SER 30 -7.656 2.913 -6.073 210 HA SER 30 HA SER 30 -6.666 0.329 -6.267 211 HB2 SER 30 HB2 SER 30 -6.821 2.577 -8.247 212 HB3 SER 30 HB1 SER 30 -6.067 1.055 -8.711 213 HG SER 30 HG SER 30 -8.380 1.203 -9.095 214 H ASP 31 HN ASP 31 -4.729 3.142 -7.396 215 HA ASP 31 HA ASP 31 -2.308 1.880 -7.775 216 HB2 ASP 31 HB2 ASP 31 -2.376 4.479 -6.256 217 HB3 ASP 31 HB1 ASP 31 -1.220 3.952 -7.475 218 H LEU 32 HN LEU 32 -3.695 2.846 -4.650 219 HA LEU 32 HA LEU 32 -1.397 2.097 -3.091 220 HB2 LEU 32 HB2 LEU 32 -3.862 3.264 -2.554 221 HB3 LEU 32 HB1 LEU 32 -3.969 1.699 -1.747 222 HG LEU 32 HG LEU 32 -1.450 2.432 -1.042 223 HD11 LEU 32 HD11 LEU 32 -2.270 4.960 -0.258 224 HD12 LEU 32 HD12 LEU 32 -2.851 4.850 -1.919 225 HD13 LEU 32 HD13 LEU 32 -1.140 4.610 -1.565 226 HD21 LEU 32 HD21 LEU 32 -3.583 1.765 0.312 227 HD22 LEU 32 HD22 LEU 32 -3.799 3.504 0.511 228 HD23 LEU 32 HD23 LEU 32 -2.338 2.721 1.115 229 H VAL 33 HN VAL 33 -4.538 0.367 -3.040 230 HA VAL 33 HA VAL 33 -3.632 -2.072 -2.081 231 HB VAL 33 HB VAL 33 -5.510 -3.133 -3.202 232 HG11 VAL 33 HG11 VAL 33 -6.786 -0.517 -2.875 233 HG12 VAL 33 HG12 VAL 33 -5.694 -0.921 -1.550 234 HG13 VAL 33 HG13 VAL 33 -7.023 -2.005 -1.958 235 HG21 VAL 33 HG21 VAL 33 -4.923 -1.926 -5.428 236 HG22 VAL 33 HG22 VAL 33 -5.934 -0.617 -4.816 237 HG23 VAL 33 HG23 VAL 33 -6.626 -2.219 -5.074 238 H GLU 34 HN GLU 34 -3.150 -0.692 -5.256 239 HA GLU 34 HA GLU 34 -2.126 -3.156 -6.439 240 HB2 GLU 34 HB2 GLU 34 -2.570 -0.363 -7.286 241 HB3 GLU 34 HB1 GLU 34 -1.160 -1.132 -8.014 242 HG2 GLU 34 HG2 GLU 34 -2.557 -2.155 -9.455 243 HG3 GLU 34 HG1 GLU 34 -3.185 -3.080 -8.092 244 H ALA 35 HN ALA 35 -0.555 -0.012 -5.678 245 HA ALA 35 HA ALA 35 2.108 -0.966 -5.892 246 HB1 ALA 35 HB1 ALA 35 2.672 1.130 -5.206 247 HB2 ALA 35 HB2 ALA 35 1.677 1.015 -3.753 248 HB3 ALA 35 HB3 ALA 35 0.941 1.460 -5.293 249 H LEU 36 HN LEU 36 -0.160 -0.938 -3.191 250 HA LEU 36 HA LEU 36 1.609 -1.933 -1.165 251 HB2 LEU 36 HB2 LEU 36 -1.389 -2.057 -1.571 252 HB3 LEU 36 HB1 LEU 36 -0.609 -2.742 -0.149 253 HG LEU 36 HG LEU 36 -1.516 -0.236 -0.165 254 HD11 LEU 36 HD11 LEU 36 -0.654 -0.916 1.845 255 HD12 LEU 36 HD12 LEU 36 0.625 0.200 1.363 256 HD13 LEU 36 HD13 LEU 36 0.831 -1.534 1.122 257 HD21 LEU 36 HD21 LEU 36 1.299 -0.018 -1.286 258 HD22 LEU 36 HD22 LEU 36 0.411 1.323 -0.565 259 HD23 LEU 36 HD23 LEU 36 -0.182 0.569 -2.043 260 H TYR 37 HN TYR 37 -0.349 -3.445 -3.645 261 HA TYR 37 HA TYR 37 0.028 -6.161 -2.691 262 HB2 TYR 37 HB2 TYR 37 -1.930 -5.592 -4.014 263 HB3 TYR 37 HB1 TYR 37 -0.912 -5.033 -5.345 264 HD1 TYR 37 HD1 TYR 37 -0.686 -8.170 -3.158 265 HD2 TYR 37 HD2 TYR 37 -1.097 -6.637 -7.176 266 HE1 TYR 37 HE1 TYR 37 -0.574 -10.447 -4.062 267 HE2 TYR 37 HE2 TYR 37 -0.980 -8.928 -8.045 268 HH TYR 37 HH TYR 37 -1.556 -11.535 -6.452 269 H LEU 38 HN LEU 38 1.878 -3.982 -4.682 270 HA LEU 38 HA LEU 38 3.402 -6.086 -6.004 271 HB2 LEU 38 HB2 LEU 38 4.663 -3.420 -5.700 272 HB3 LEU 38 HB1 LEU 38 4.484 -4.420 -7.140 273 HG LEU 38 HG LEU 38 2.328 -2.752 -5.838 274 HD11 LEU 38 HD11 LEU 38 4.164 -1.631 -7.237 275 HD12 LEU 38 HD12 LEU 38 2.499 -1.325 -7.729 276 HD13 LEU 38 HD13 LEU 38 3.479 -2.493 -8.615 277 HD21 LEU 38 HD21 LEU 38 2.217 -4.452 -8.342 278 HD22 LEU 38 HD22 LEU 38 0.905 -3.467 -7.695 279 HD23 LEU 38 HD23 LEU 38 1.470 -4.881 -6.804 280 H VAL 39 HN VAL 39 4.129 -3.734 -3.424 281 HA VAL 39 HA VAL 39 6.663 -4.724 -2.690 282 HB VAL 39 HB VAL 39 6.380 -3.524 -0.660 283 HG11 VAL 39 HG11 VAL 39 6.055 -1.544 -1.684 284 HG12 VAL 39 HG12 VAL 39 4.337 -1.880 -1.882 285 HG13 VAL 39 HG13 VAL 39 5.489 -2.432 -3.098 286 HG21 VAL 39 HG21 VAL 39 3.375 -3.718 -1.013 287 HG22 VAL 39 HG22 VAL 39 4.246 -3.090 0.385 288 HG23 VAL 39 HG23 VAL 39 4.306 -4.809 0.013 289 H CYS 40 HN CYS 40 3.438 -5.911 -1.965 290 HA CYS 40 HA CYS 40 4.683 -8.233 -0.552 291 HB2 CYS 40 HB2 CYS 40 2.329 -6.543 0.112 292 HB3 CYS 40 HB1 CYS 40 2.154 -8.275 0.389 293 H GLY 41 HN GLY 41 4.264 -8.118 -3.387 294 HA2 GLY 41 HA2 GLY 41 1.834 -9.179 -4.326 295 HA3 GLY 41 HA1 GLY 41 3.400 -9.515 -5.064 296 H GLU 42 HN GLU 42 4.477 -10.799 -2.639 297 HA GLU 42 HA GLU 42 3.381 -13.468 -3.125 298 HB2 GLU 42 HB2 GLU 42 5.156 -14.224 -1.604 299 HB3 GLU 42 HB1 GLU 42 5.810 -13.101 -2.798 300 HG2 GLU 42 HG2 GLU 42 5.231 -11.290 -0.970 301 HG3 GLU 42 HG1 GLU 42 5.304 -12.669 0.128 302 H ARG 43 HN ARG 43 2.137 -11.052 -1.388 303 HA ARG 43 HA ARG 43 1.276 -12.851 0.838 304 HB2 ARG 43 HB2 ARG 43 2.021 -11.180 2.171 305 HB3 ARG 43 HB1 ARG 43 2.218 -10.087 0.808 306 HG2 ARG 43 HG2 ARG 43 -0.533 -10.661 1.893 307 HG3 ARG 43 HG1 ARG 43 0.504 -9.473 2.684 308 HD2 ARG 43 HD2 ARG 43 0.165 -7.955 1.047 309 HD3 ARG 43 HD1 ARG 43 0.492 -9.144 -0.214 310 HE ARG 43 HE ARG 43 -1.996 -9.885 0.456 311 HH11 ARG 43 HH21 ARG 43 -1.293 -6.780 1.386 312 HH12 ARG 43 HH22 ARG 43 -2.462 -6.002 0.371 313 HH21 ARG 43 HH11 ARG 43 -3.214 -8.879 -1.413 314 HH22 ARG 43 HH12 ARG 43 -3.547 -7.191 -1.217 315 H GLY 44 HN GLY 44 -0.932 -13.128 1.133 316 HA2 GLY 44 HA2 GLY 44 -2.664 -11.924 -0.977 317 HA3 GLY 44 HA1 GLY 44 -3.014 -13.428 -0.123 318 H GLY 45 HN GLY 45 -4.755 -11.090 -0.342 319 HA2 GLY 45 HA2 GLY 45 -5.362 -10.795 2.513 320 HA3 GLY 45 HA1 GLY 45 -4.913 -9.292 1.705 321 H PHE 46 HN PHE 46 -7.058 -8.435 1.982 322 HA PHE 46 HA PHE 46 -8.891 -9.243 -0.155 323 HB2 PHE 46 HB2 PHE 46 -9.191 -10.395 2.376 324 HB3 PHE 46 HB1 PHE 46 -10.400 -9.079 2.333 325 HD1 PHE 46 HD1 PHE 46 -9.230 -12.178 0.407 326 HD2 PHE 46 HD2 PHE 46 -12.414 -9.277 0.818 327 HE1 PHE 46 HE1 PHE 46 -10.658 -13.500 -1.069 328 HE2 PHE 46 HE2 PHE 46 -13.808 -10.634 -0.660 329 HZ PHE 46 HZ PHE 46 -12.944 -12.742 -1.611 330 H TYR 47 HN TYR 47 -7.367 -6.844 0.655 331 HA TYR 47 HA TYR 47 -8.968 -4.882 1.898 332 HB2 TYR 47 HB2 TYR 47 -6.495 -4.781 1.123 333 HB3 TYR 47 HB1 TYR 47 -7.162 -4.295 -0.462 334 HD1 TYR 47 HD1 TYR 47 -9.290 -3.196 2.388 335 HD2 TYR 47 HD2 TYR 47 -5.841 -1.998 0.060 336 HE1 TYR 47 HE1 TYR 47 -9.523 -0.896 3.167 337 HE2 TYR 47 HE2 TYR 47 -6.118 0.288 0.868 338 HH TYR 47 HH TYR 47 -8.035 1.109 3.474 339 H THR 48 HN THR 48 -9.339 -6.410 -1.154 340 HA THR 48 HA THR 48 -10.722 -4.376 -2.601 341 HB THR 48 HB THR 48 -10.825 -7.394 -2.702 342 HG1 THR 48 HG1 THR 48 -9.899 -6.755 -4.834 343 HG21 THR 48 HG21 THR 48 -12.439 -5.355 -4.211 344 HG22 THR 48 HG22 THR 48 -12.962 -6.889 -3.515 345 HG23 THR 48 HG23 THR 48 -11.985 -6.875 -4.983 346 H LYS 49 HN LYS 49 -11.710 -6.488 -0.023 347 HA LYS 49 HA LYS 49 -14.239 -5.009 0.217 348 HB2 LYS 49 HB2 LYS 49 -14.470 -7.116 -1.370 349 HB3 LYS 49 HB1 LYS 49 -14.497 -7.996 0.159 350 HG2 LYS 49 HG2 LYS 49 -16.613 -7.346 0.570 351 HG3 LYS 49 HG1 LYS 49 -16.195 -5.653 0.305 352 HD2 LYS 49 HD2 LYS 49 -16.536 -5.849 -2.063 353 HD3 LYS 49 HD1 LYS 49 -16.664 -7.606 -1.959 354 HE2 LYS 49 HE2 LYS 49 -18.737 -7.437 -0.707 355 HE3 LYS 49 HE1 LYS 49 -18.584 -5.683 -0.617 356 HZ1 LYS 49 HZ1 LYS 49 -19.092 -7.348 -3.010 357 HZ2 LYS 49 HZ2 LYS 49 -18.585 -5.730 -3.121 358 HZ3 LYS 49 HZ3 LYS 49 -20.060 -6.112 -2.370 359 HA PRO 50 HA PRO 50 -12.372 -6.179 4.201 360 HB2 PRO 50 HB2 PRO 50 -12.821 -3.722 5.350 361 HB3 PRO 50 HB1 PRO 50 -11.375 -4.116 4.405 362 HG2 PRO 50 HG2 PRO 50 -13.738 -2.471 3.623 363 HG3 PRO 50 HG1 PRO 50 -12.065 -2.378 3.047 364 HD2 PRO 50 HD2 PRO 50 -14.213 -3.579 1.666 365 HD3 PRO 50 HD1 PRO 50 -12.490 -3.797 1.297 366 H THR 51 HN THR 51 -13.430 -6.016 6.450 367 HA THR 51 HA THR 51 -16.231 -6.779 6.222 368 HB THR 51 HB THR 51 -15.943 -6.718 8.845 369 HG1 THR 51 HG1 THR 51 -14.071 -5.764 9.189 370 HG21 THR 51 HG21 THR 51 -16.138 -8.831 7.865 371 HG22 THR 51 HG22 THR 51 -14.523 -8.901 8.571 372 HG23 THR 51 HG23 THR 51 -14.719 -8.596 6.845 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -8.582 4.712 2.677 2 H2 GLY 1 HT2 GLY 1 -9.543 5.174 1.355 3 H3 GLY 1 HT3 GLY 1 -9.906 5.748 2.912 4 HA2 GLY 1 HA1 GLY 1 -8.040 6.812 1.076 5 HA3 GLY 1 HA2 GLY 1 -8.768 7.617 2.498 6 H ILE 2 HN ILE 2 -6.728 5.138 0.731 7 HA ILE 2 HA ILE 2 -4.360 5.674 2.421 8 HB ILE 2 HB ILE 2 -4.934 3.674 0.227 9 HG12 ILE 2 HG12 ILE 2 -4.127 3.194 3.101 10 HG13 ILE 2 HG11 ILE 2 -5.814 3.432 2.644 11 HG21 ILE 2 HG21 ILE 2 -2.584 4.427 0.072 12 HG22 ILE 2 HG22 ILE 2 -2.680 2.772 0.673 13 HG23 ILE 2 HG23 ILE 2 -2.367 4.100 1.791 14 HD11 ILE 2 HD11 ILE 2 -3.946 1.210 1.858 15 HD12 ILE 2 HD12 ILE 2 -5.338 1.604 0.851 16 HD13 ILE 2 HD13 ILE 2 -5.576 1.103 2.525 17 H VAL 3 HN VAL 3 -5.572 6.329 -0.811 18 HA VAL 3 HA VAL 3 -3.096 7.064 -2.020 19 HB VAL 3 HB VAL 3 -4.371 7.946 -3.775 20 HG11 VAL 3 HG11 VAL 3 -5.210 5.581 -2.591 21 HG12 VAL 3 HG12 VAL 3 -5.648 6.135 -4.207 22 HG13 VAL 3 HG13 VAL 3 -6.715 6.466 -2.841 23 HG21 VAL 3 HG21 VAL 3 -6.627 8.903 -3.486 24 HG22 VAL 3 HG22 VAL 3 -5.470 9.723 -2.437 25 HG23 VAL 3 HG23 VAL 3 -6.575 8.524 -1.764 26 H GLU 4 HN GLU 4 -5.366 8.860 -0.035 27 HA GLU 4 HA GLU 4 -3.964 11.391 -0.348 28 HB2 GLU 4 HB2 GLU 4 -5.869 10.624 1.877 29 HB3 GLU 4 HB1 GLU 4 -5.511 12.243 1.274 30 HG2 GLU 4 HG2 GLU 4 -6.323 11.001 -1.023 31 HG3 GLU 4 HG1 GLU 4 -7.328 10.185 0.176 32 H GLN 5 HN GLN 5 -3.088 8.590 1.187 33 HA GLN 5 HA GLN 5 -1.729 10.026 3.420 34 HB2 GLN 5 HB2 GLN 5 -3.089 7.559 3.315 35 HB3 GLN 5 HB1 GLN 5 -1.380 7.156 3.473 36 HG2 GLN 5 HG2 GLN 5 -3.007 8.963 5.281 37 HG3 GLN 5 HG1 GLN 5 -2.268 7.418 5.701 38 HE21 GLN 5 HE21 GLN 5 0.098 7.350 5.912 39 HE22 GLN 5 HE22 GLN 5 0.993 8.776 6.124 40 H CYS 6 HN CYS 6 -1.099 7.719 0.767 41 HA CYS 6 HA CYS 6 1.816 8.211 1.147 42 HB2 CYS 6 HB2 CYS 6 0.302 6.065 -0.359 43 HB3 CYS 6 HB1 CYS 6 2.056 6.247 -0.424 44 H CYS 7 HN CYS 7 -0.819 8.643 -1.143 45 HA CYS 7 HA CYS 7 0.862 9.300 -3.397 46 HB2 CYS 7 HB2 CYS 7 -1.733 8.767 -3.249 47 HB3 CYS 7 HB1 CYS 7 -1.853 10.518 -3.083 48 H THR 8 HN THR 8 0.353 10.876 -0.479 49 HA THR 8 HA THR 8 0.774 13.576 -1.659 50 HB THR 8 HB THR 8 -0.966 13.306 0.118 51 HG1 THR 8 HG1 THR 8 1.187 14.755 1.198 52 HG21 THR 8 HG21 THR 8 -0.490 12.484 2.227 53 HG22 THR 8 HG22 THR 8 1.210 12.945 2.135 54 HG23 THR 8 HG23 THR 8 0.633 11.522 1.266 55 H SER 9 HN SER 9 2.286 11.081 0.284 56 HA SER 9 HA SER 9 4.899 12.423 -0.069 57 HB2 SER 9 HB2 SER 9 4.090 11.395 2.654 58 HB3 SER 9 HB1 SER 9 5.479 12.394 2.237 59 HG SER 9 HG SER 9 3.891 13.704 3.110 60 H ILE 10 HN ILE 10 6.696 10.850 0.538 61 HA ILE 10 HA ILE 10 5.997 8.200 -0.485 62 HB ILE 10 HB ILE 10 8.683 8.872 0.686 63 HG12 ILE 10 HG12 ILE 10 8.181 10.853 -0.605 64 HG13 ILE 10 HG11 ILE 10 9.243 9.845 -1.588 65 HG21 ILE 10 HG21 ILE 10 7.491 6.987 -1.268 66 HG22 ILE 10 HG22 ILE 10 8.870 6.770 -0.190 67 HG23 ILE 10 HG23 ILE 10 9.068 7.645 -1.708 68 HD11 ILE 10 HD11 ILE 10 7.365 10.689 -2.938 69 HD12 ILE 10 HD12 ILE 10 6.220 9.965 -1.809 70 HD13 ILE 10 HD13 ILE 10 7.274 8.936 -2.778 71 H CYS 11 HN CYS 11 5.027 6.796 0.899 72 HA CYS 11 HA CYS 11 5.381 6.938 3.780 73 HB2 CYS 11 HB2 CYS 11 4.125 4.804 2.028 74 HB3 CYS 11 HB1 CYS 11 4.030 4.843 3.787 75 H SER 12 HN SER 12 5.691 4.404 4.663 76 HA SER 12 HA SER 12 8.349 3.551 3.581 77 HB2 SER 12 HB2 SER 12 9.021 2.988 5.850 78 HB3 SER 12 HB1 SER 12 8.443 4.652 5.852 79 HG SER 12 HG SER 12 6.324 3.585 6.385 80 H LEU 13 HN LEU 13 8.508 1.360 3.119 81 HA LEU 13 HA LEU 13 6.317 -0.243 2.636 82 HB2 LEU 13 HB2 LEU 13 9.139 -0.667 2.849 83 HB3 LEU 13 HB1 LEU 13 8.312 -2.004 3.651 84 HG LEU 13 HG LEU 13 6.801 -2.121 1.586 85 HD11 LEU 13 HD11 LEU 13 7.802 0.239 0.893 86 HD12 LEU 13 HD12 LEU 13 7.349 -0.940 -0.338 87 HD13 LEU 13 HD13 LEU 13 9.040 -0.757 0.128 88 HD21 LEU 13 HD21 LEU 13 9.517 -2.697 0.582 89 HD22 LEU 13 HD22 LEU 13 8.153 -3.787 0.824 90 HD23 LEU 13 HD23 LEU 13 9.185 -3.351 2.186 91 H TYR 14 HN TYR 14 7.737 0.442 5.758 92 HA TYR 14 HA TYR 14 6.560 -1.714 7.228 93 HB2 TYR 14 HB2 TYR 14 7.807 0.891 7.831 94 HB3 TYR 14 HB1 TYR 14 6.567 0.413 8.996 95 HD1 TYR 14 HD2 TYR 14 6.807 -2.620 8.968 96 HD2 TYR 14 HD1 TYR 14 9.940 0.355 8.955 97 HE1 TYR 14 HE2 TYR 14 8.366 -4.226 9.970 98 HE2 TYR 14 HE1 TYR 14 11.473 -1.278 9.954 99 HH TYR 14 HH TYR 14 11.717 -3.715 10.109 100 H GLN 15 HN GLN 15 5.399 1.617 6.616 101 HA GLN 15 HA GLN 15 2.871 1.243 7.929 102 HB2 GLN 15 HB2 GLN 15 3.972 3.209 5.945 103 HB3 GLN 15 HB1 GLN 15 2.233 3.178 6.238 104 HG2 GLN 15 HG2 GLN 15 4.293 3.381 8.451 105 HG3 GLN 15 HG1 GLN 15 3.507 4.780 7.720 106 HE21 GLN 15 HE21 GLN 15 3.163 4.072 10.508 107 HE22 GLN 15 HE22 GLN 15 1.536 3.644 10.734 108 H LEU 16 HN LEU 16 3.882 0.945 4.519 109 HA LEU 16 HA LEU 16 1.366 0.309 3.406 110 HB2 LEU 16 HB2 LEU 16 4.204 -0.199 2.677 111 HB3 LEU 16 HB1 LEU 16 3.004 -1.235 1.904 112 HG LEU 16 HG LEU 16 1.737 1.013 1.465 113 HD11 LEU 16 HD11 LEU 16 4.468 1.870 2.321 114 HD12 LEU 16 HD12 LEU 16 2.916 2.674 2.553 115 HD13 LEU 16 HD13 LEU 16 3.715 2.737 0.982 116 HD21 LEU 16 HD21 LEU 16 3.002 1.277 -0.662 117 HD22 LEU 16 HD22 LEU 16 2.675 -0.417 -0.298 118 HD23 LEU 16 HD23 LEU 16 4.280 0.252 -0.008 119 H GLU 17 HN GLU 17 3.696 -1.736 5.118 120 HA GLU 17 HA GLU 17 2.574 -4.260 4.612 121 HB2 GLU 17 HB2 GLU 17 3.972 -3.065 7.005 122 HB3 GLU 17 HB1 GLU 17 3.430 -4.737 6.998 123 HG2 GLU 17 HG2 GLU 17 5.095 -3.640 4.743 124 HG3 GLU 17 HG1 GLU 17 5.846 -4.274 6.208 125 H ASN 18 HN ASN 18 1.564 -1.687 6.800 126 HA ASN 18 HA ASN 18 -0.459 -3.259 8.156 127 HB2 ASN 18 HB2 ASN 18 0.526 -0.522 8.209 128 HB3 ASN 18 HB1 ASN 18 -1.235 -0.569 8.283 129 HD21 ASN 18 HD21 ASN 18 -1.596 -3.019 9.691 130 HD22 ASN 18 HD22 ASN 18 -0.964 -2.848 11.256 131 H TYR 19 HN TYR 19 -0.302 -1.591 5.106 132 HA TYR 19 HA TYR 19 -3.088 -1.077 4.721 133 HB2 TYR 19 HB2 TYR 19 -1.022 -1.858 2.624 134 HB3 TYR 19 HB1 TYR 19 -2.594 -1.066 2.315 135 HD1 TYR 19 HD2 TYR 19 -1.560 0.306 5.445 136 HD2 TYR 19 HD1 TYR 19 -0.496 0.619 1.264 137 HE1 TYR 19 HE2 TYR 19 -0.545 2.489 5.827 138 HE2 TYR 19 HE1 TYR 19 0.500 2.794 1.690 139 HH TYR 19 HH TYR 19 0.375 4.283 4.914 140 H CYS 20 HN CYS 20 -1.176 -4.007 4.464 141 HA CYS 20 HA CYS 20 -3.311 -5.491 3.111 142 HB2 CYS 20 HB2 CYS 20 -0.742 -6.441 4.418 143 HB3 CYS 20 HB1 CYS 20 -1.820 -7.446 3.449 144 H ASN 21 HN ASN 21 -4.507 -4.425 5.244 145 HA ASN 21 HA ASN 21 -5.181 -6.779 6.861 146 HB2 ASN 21 HB2 ASN 21 -3.187 -5.225 7.875 147 HB3 ASN 21 HB1 ASN 21 -4.602 -4.415 8.549 148 HD21 ASN 21 HD21 ASN 21 -3.825 -7.894 7.936 149 HD22 ASN 21 HD22 ASN 21 -4.195 -8.401 9.513 150 H1 PHE 22 HT1 PHE 22 11.174 -0.913 0.066 151 H2 PHE 22 HT2 PHE 22 12.065 -0.257 1.355 152 H3 PHE 22 HT3 PHE 22 12.684 -1.571 0.473 153 HA PHE 22 HA PHE 22 13.505 0.858 0.016 154 HB2 PHE 22 HB2 PHE 22 13.999 0.142 -2.299 155 HB3 PHE 22 HB1 PHE 22 14.272 -1.171 -1.154 156 HD1 PHE 22 HD2 PHE 22 12.701 -3.069 -1.003 157 HD2 PHE 22 HD1 PHE 22 12.157 0.074 -3.884 158 HE1 PHE 22 HE2 PHE 22 11.081 -4.484 -2.241 159 HE2 PHE 22 HE1 PHE 22 10.537 -1.341 -5.121 160 HZ PHE 22 HZ PHE 22 9.999 -3.619 -4.299 161 H VAL 23 HN VAL 23 12.626 2.806 -0.505 162 HA VAL 23 HA VAL 23 10.384 2.876 -2.453 163 HB VAL 23 HB VAL 23 9.536 4.806 -0.760 164 HG11 VAL 23 HG11 VAL 23 7.753 3.349 -0.239 165 HG12 VAL 23 HG12 VAL 23 8.788 1.922 -0.304 166 HG13 VAL 23 HG13 VAL 23 8.359 2.771 -1.790 167 HG21 VAL 23 HG21 VAL 23 9.688 4.019 1.533 168 HG22 VAL 23 HG22 VAL 23 11.319 4.182 0.883 169 HG23 VAL 23 HG23 VAL 23 10.579 2.586 1.019 170 H ASN 24 HN ASN 24 9.893 5.216 -3.009 171 HA ASN 24 HA ASN 24 11.514 7.426 -2.570 172 HB2 ASN 24 HB2 ASN 24 13.205 7.415 -4.284 173 HB3 ASN 24 HB1 ASN 24 13.383 5.910 -3.394 174 HD21 ASN 24 HD21 ASN 24 12.162 7.293 -6.439 175 HD22 ASN 24 HD22 ASN 24 12.095 5.818 -7.276 176 H GLN 25 HN GLN 25 9.789 5.489 -4.908 177 HA GLN 25 HA GLN 25 9.141 7.801 -6.607 178 HB2 GLN 25 HB2 GLN 25 8.566 4.862 -6.668 179 HB3 GLN 25 HB1 GLN 25 7.534 5.947 -7.601 180 HG2 GLN 25 HG2 GLN 25 9.136 6.271 -9.157 181 HG3 GLN 25 HG1 GLN 25 10.354 6.606 -7.926 182 HE21 GLN 25 HE21 GLN 25 8.459 3.586 -8.331 183 HE22 GLN 25 HE22 GLN 25 9.808 2.596 -8.616 184 H HIS 26 HN HIS 26 6.515 7.526 -7.225 185 HA HIS 26 HA HIS 26 5.134 7.943 -4.600 186 HB2 HIS 26 HB2 HIS 26 5.541 9.819 -6.583 187 HB3 HIS 26 HB1 HIS 26 3.930 9.212 -6.966 188 HD2 HIS 26 HD2 HIS 26 2.903 11.721 -5.936 189 HE1 HIS 26 HE1 HIS 26 3.784 10.760 -1.914 190 HE2 HIS 26 HE2 HIS 26 2.541 12.378 -3.445 191 H LEU 27 HN LEU 27 2.496 7.974 -5.444 192 HA LEU 27 HA LEU 27 1.997 5.759 -7.282 193 HB2 LEU 27 HB2 LEU 27 0.714 4.612 -5.183 194 HB3 LEU 27 HB1 LEU 27 2.346 4.183 -5.673 195 HG LEU 27 HG LEU 27 3.161 5.996 -4.080 196 HD11 LEU 27 HD11 LEU 27 1.624 7.301 -3.075 197 HD12 LEU 27 HD12 LEU 27 0.897 5.876 -2.333 198 HD13 LEU 27 HD13 LEU 27 0.342 6.428 -3.914 199 HD21 LEU 27 HD21 LEU 27 3.579 4.049 -3.007 200 HD22 LEU 27 HD22 LEU 27 2.047 3.347 -3.530 201 HD23 LEU 27 HD23 LEU 27 2.105 4.369 -2.094 202 H CYS 28 HN CYS 28 -0.559 5.050 -6.239 203 HA CYS 28 HA CYS 28 -2.512 6.623 -5.424 204 HB2 CYS 28 HB2 CYS 28 -1.338 8.084 -7.671 205 HB3 CYS 28 HB1 CYS 28 -3.040 7.749 -7.920 206 H GLY 29 HN GLY 29 -4.516 5.797 -5.948 207 HA2 GLY 29 HA2 GLY 29 -5.851 3.964 -6.638 208 HA3 GLY 29 HA1 GLY 29 -5.581 4.728 -8.202 209 H SER 30 HN SER 30 -4.804 3.375 -9.709 210 HA SER 30 HA SER 30 -4.143 0.716 -9.442 211 HB2 SER 30 HB2 SER 30 -3.940 2.629 -11.486 212 HB3 SER 30 HB1 SER 30 -2.324 1.942 -11.348 213 HG SER 30 HG SER 30 -3.105 -0.018 -11.831 214 H ASP 31 HN ASP 31 -1.587 3.242 -9.671 215 HA ASP 31 HA ASP 31 0.611 1.686 -9.043 216 HB2 ASP 31 HB2 ASP 31 0.181 4.396 -7.766 217 HB3 ASP 31 HB1 ASP 31 1.710 3.649 -8.215 218 H LEU 32 HN LEU 32 -1.930 2.757 -6.852 219 HA LEU 32 HA LEU 32 -0.561 1.995 -4.428 220 HB2 LEU 32 HB2 LEU 32 -3.133 3.060 -5.144 221 HB3 LEU 32 HB1 LEU 32 -3.360 1.686 -4.060 222 HG LEU 32 HG LEU 32 -1.395 2.812 -2.708 223 HD11 LEU 32 HD11 LEU 32 -0.694 4.731 -3.676 224 HD12 LEU 32 HD12 LEU 32 -2.197 5.437 -3.083 225 HD13 LEU 32 HD13 LEU 32 -2.106 4.810 -4.730 226 HD21 LEU 32 HD21 LEU 32 -4.305 3.142 -2.718 227 HD22 LEU 32 HD22 LEU 32 -3.476 4.494 -1.949 228 HD23 LEU 32 HD23 LEU 32 -3.216 2.852 -1.362 229 H VAL 33 HN VAL 33 -3.383 0.359 -5.954 230 HA VAL 33 HA VAL 33 -3.104 -2.074 -4.569 231 HB VAL 33 HB VAL 33 -4.324 -3.125 -6.431 232 HG11 VAL 33 HG11 VAL 33 -5.393 -0.322 -6.180 233 HG12 VAL 33 HG12 VAL 33 -5.371 -1.410 -4.792 234 HG13 VAL 33 HG13 VAL 33 -6.285 -1.842 -6.237 235 HG21 VAL 33 HG21 VAL 33 -4.580 -0.746 -8.088 236 HG22 VAL 33 HG22 VAL 33 -4.157 -2.391 -8.559 237 HG23 VAL 33 HG23 VAL 33 -2.906 -1.287 -7.997 238 H GLU 34 HN GLU 34 -1.269 -0.781 -7.246 239 HA GLU 34 HA GLU 34 0.065 -3.289 -7.886 240 HB2 GLU 34 HB2 GLU 34 0.226 -0.449 -8.736 241 HB3 GLU 34 HB1 GLU 34 1.724 -1.370 -8.857 242 HG2 GLU 34 HG2 GLU 34 0.808 -1.918 -10.900 243 HG3 GLU 34 HG1 GLU 34 0.070 -3.185 -9.920 244 H ALA 35 HN ALA 35 1.185 -0.232 -6.375 245 HA ALA 35 HA ALA 35 3.641 -1.269 -5.388 246 HB1 ALA 35 HB1 ALA 35 1.895 0.855 -4.098 247 HB2 ALA 35 HB2 ALA 35 3.026 1.160 -5.416 248 HB3 ALA 35 HB3 ALA 35 3.626 0.630 -3.845 249 H LEU 36 HN LEU 36 0.434 -1.023 -3.869 250 HA LEU 36 HA LEU 36 1.027 -2.203 -1.363 251 HB2 LEU 36 HB2 LEU 36 -1.435 -2.080 -3.098 252 HB3 LEU 36 HB1 LEU 36 -1.451 -3.031 -1.616 253 HG LEU 36 HG LEU 36 -2.200 -0.516 -1.559 254 HD11 LEU 36 HD11 LEU 36 -1.599 -2.263 0.325 255 HD12 LEU 36 HD12 LEU 36 -1.812 -0.559 0.722 256 HD13 LEU 36 HD13 LEU 36 -0.189 -1.226 0.543 257 HD21 LEU 36 HD21 LEU 36 -0.182 0.376 -2.660 258 HD22 LEU 36 HD22 LEU 36 0.824 -0.295 -1.378 259 HD23 LEU 36 HD23 LEU 36 -0.314 1.002 -1.018 260 H TYR 37 HN TYR 37 0.562 -3.579 -4.529 261 HA TYR 37 HA TYR 37 0.337 -6.333 -3.566 262 HB2 TYR 37 HB2 TYR 37 -0.806 -5.582 -5.629 263 HB3 TYR 37 HB1 TYR 37 0.762 -5.227 -6.363 264 HD1 TYR 37 HD1 TYR 37 -1.469 -8.025 -5.184 265 HD2 TYR 37 HD2 TYR 37 2.293 -7.111 -7.099 266 HE1 TYR 37 HE1 TYR 37 -1.231 -10.367 -5.877 267 HE2 TYR 37 HE2 TYR 37 2.498 -9.458 -7.778 268 HH TYR 37 HH TYR 37 0.184 -11.532 -7.993 269 H LEU 38 HN LEU 38 2.906 -4.164 -4.229 270 HA LEU 38 HA LEU 38 4.829 -6.321 -4.834 271 HB2 LEU 38 HB2 LEU 38 5.857 -3.633 -4.115 272 HB3 LEU 38 HB1 LEU 38 6.306 -4.687 -5.455 273 HG LEU 38 HG LEU 38 3.776 -3.044 -5.284 274 HD11 LEU 38 HD11 LEU 38 5.535 -1.528 -5.730 275 HD12 LEU 38 HD12 LEU 38 4.909 -1.938 -7.326 276 HD13 LEU 38 HD13 LEU 38 6.392 -2.692 -6.740 277 HD21 LEU 38 HD21 LEU 38 4.858 -4.987 -7.316 278 HD22 LEU 38 HD22 LEU 38 3.692 -3.741 -7.761 279 HD23 LEU 38 HD23 LEU 38 3.262 -4.966 -6.567 280 H VAL 39 HN VAL 39 4.169 -3.971 -2.255 281 HA VAL 39 HA VAL 39 6.171 -4.968 -0.453 282 HB VAL 39 HB VAL 39 5.150 -3.567 1.175 283 HG11 VAL 39 HG11 VAL 39 5.643 -2.630 -1.393 284 HG12 VAL 39 HG12 VAL 39 5.419 -1.628 0.042 285 HG13 VAL 39 HG13 VAL 39 4.051 -1.971 -1.016 286 HG21 VAL 39 HG21 VAL 39 2.683 -2.734 0.214 287 HG22 VAL 39 HG22 VAL 39 2.934 -3.916 1.498 288 HG23 VAL 39 HG23 VAL 39 2.700 -4.456 -0.164 289 H CYS 40 HN CYS 40 3.045 -6.073 -1.408 290 HA CYS 40 HA CYS 40 3.120 -8.122 0.768 291 HB2 CYS 40 HB2 CYS 40 0.896 -6.511 -0.377 292 HB3 CYS 40 HB1 CYS 40 0.538 -8.202 -0.027 293 H GLY 41 HN GLY 41 4.341 -8.123 -1.984 294 HA2 GLY 41 HA2 GLY 41 3.005 -9.564 -3.925 295 HA3 GLY 41 HA1 GLY 41 4.706 -9.850 -3.555 296 H GLU 42 HN GLU 42 3.977 -10.701 -0.763 297 HA GLU 42 HA GLU 42 3.359 -13.504 -1.463 298 HB2 GLU 42 HB2 GLU 42 5.266 -12.926 0.060 299 HB3 GLU 42 HB1 GLU 42 4.091 -12.317 1.226 300 HG2 GLU 42 HG2 GLU 42 3.304 -14.421 1.747 301 HG3 GLU 42 HG1 GLU 42 3.665 -15.067 0.146 302 H ARG 43 HN ARG 43 1.865 -10.750 -0.006 303 HA ARG 43 HA ARG 43 -0.407 -12.457 0.915 304 HB2 ARG 43 HB2 ARG 43 0.758 -10.920 2.586 305 HB3 ARG 43 HB1 ARG 43 0.103 -9.567 1.661 306 HG2 ARG 43 HG2 ARG 43 -2.133 -10.167 2.146 307 HG3 ARG 43 HG1 ARG 43 -1.675 -11.790 2.661 308 HD2 ARG 43 HD2 ARG 43 -0.200 -10.085 4.321 309 HD3 ARG 43 HD1 ARG 43 -1.794 -9.338 4.219 310 HE ARG 43 HE ARG 43 -1.770 -12.235 4.778 311 HH11 ARG 43 HH21 ARG 43 -3.614 -9.666 5.393 312 HH12 ARG 43 HH22 ARG 43 -3.626 -9.784 7.121 313 HH21 ARG 43 HH11 ARG 43 -1.055 -12.106 7.247 314 HH22 ARG 43 HH12 ARG 43 -2.177 -11.164 8.170 315 H GLY 44 HN GLY 44 -2.595 -11.576 0.464 316 HA2 GLY 44 HA2 GLY 44 -3.049 -9.367 -1.287 317 HA3 GLY 44 HA1 GLY 44 -2.947 -10.838 -2.255 318 H GLY 45 HN GLY 45 -5.265 -9.002 -1.494 319 HA2 GLY 45 HA2 GLY 45 -7.558 -9.984 -1.670 320 HA3 GLY 45 HA1 GLY 45 -7.055 -11.167 -0.462 321 H PHE 46 HN PHE 46 -6.217 -10.077 1.652 322 HA PHE 46 HA PHE 46 -8.361 -8.479 2.724 323 HB2 PHE 46 HB2 PHE 46 -6.381 -10.054 3.756 324 HB3 PHE 46 HB1 PHE 46 -5.777 -8.423 4.161 325 HD1 PHE 46 HD1 PHE 46 -9.449 -9.505 3.867 326 HD2 PHE 46 HD2 PHE 46 -6.348 -8.239 6.604 327 HE1 PHE 46 HE1 PHE 46 -11.081 -9.316 5.674 328 HE2 PHE 46 HE2 PHE 46 -8.011 -8.068 8.382 329 HZ PHE 46 HZ PHE 46 -10.379 -8.601 7.931 330 H TYR 47 HN TYR 47 -7.817 -6.942 0.713 331 HA TYR 47 HA TYR 47 -5.995 -4.800 1.719 332 HB2 TYR 47 HB2 TYR 47 -5.219 -5.698 -0.401 333 HB3 TYR 47 HB1 TYR 47 -6.847 -5.496 -1.114 334 HD1 TYR 47 HD1 TYR 47 -4.132 -3.370 0.625 335 HD2 TYR 47 HD2 TYR 47 -7.358 -3.354 -2.259 336 HE1 TYR 47 HE1 TYR 47 -3.627 -1.055 0.033 337 HE2 TYR 47 HE2 TYR 47 -6.820 -1.036 -2.813 338 HH TYR 47 HH TYR 47 -4.083 0.647 -1.301 339 H THR 48 HN THR 48 -9.257 -5.569 0.940 340 HA THR 48 HA THR 48 -10.214 -3.043 1.921 341 HB THR 48 HB THR 48 -10.086 -3.405 -1.073 342 HG1 THR 48 HG1 THR 48 -8.535 -2.066 -0.599 343 HG21 THR 48 HG21 THR 48 -12.108 -1.955 0.581 344 HG22 THR 48 HG22 THR 48 -12.304 -2.773 -0.969 345 HG23 THR 48 HG23 THR 48 -11.539 -1.185 -0.900 346 H LYS 49 HN LYS 49 -10.821 -6.141 0.489 347 HA LYS 49 HA LYS 49 -13.735 -5.816 1.053 348 HB2 LYS 49 HB2 LYS 49 -13.073 -6.427 -1.308 349 HB3 LYS 49 HB1 LYS 49 -12.418 -7.935 -0.669 350 HG2 LYS 49 HG2 LYS 49 -14.469 -8.857 -0.601 351 HG3 LYS 49 HG1 LYS 49 -15.082 -7.511 0.361 352 HD2 LYS 49 HD2 LYS 49 -16.342 -7.620 -1.714 353 HD3 LYS 49 HD1 LYS 49 -15.321 -6.182 -1.749 354 HE2 LYS 49 HE2 LYS 49 -13.664 -8.122 -2.809 355 HE3 LYS 49 HE1 LYS 49 -15.242 -8.568 -3.456 356 HZ1 LYS 49 HZ1 LYS 49 -14.159 -5.811 -3.562 357 HZ2 LYS 49 HZ2 LYS 49 -15.522 -6.420 -4.372 358 HZ3 LYS 49 HZ3 LYS 49 -13.966 -6.935 -4.819 359 HA PRO 50 HA PRO 50 -12.176 -8.611 4.310 360 HB2 PRO 50 HB2 PRO 50 -13.749 -7.517 6.276 361 HB3 PRO 50 HB1 PRO 50 -12.141 -6.905 5.850 362 HG2 PRO 50 HG2 PRO 50 -14.821 -5.759 5.202 363 HG3 PRO 50 HG1 PRO 50 -13.267 -4.934 5.408 364 HD2 PRO 50 HD2 PRO 50 -14.477 -5.541 2.937 365 HD3 PRO 50 HD1 PRO 50 -12.778 -5.085 3.176 366 H THR 51 HN THR 51 -13.720 -9.859 5.986 367 HA THR 51 HA THR 51 -15.381 -11.520 6.106 368 HB THR 51 HB THR 51 -17.642 -10.686 5.853 369 HG1 THR 51 HG1 THR 51 -18.067 -9.327 4.333 370 HG21 THR 51 HG21 THR 51 -17.363 -9.387 7.665 371 HG22 THR 51 HG22 THR 51 -16.655 -8.107 6.679 372 HG23 THR 51 HG23 THR 51 -15.628 -9.378 7.343 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -10.626 2.657 0.817 2 H2 GLY 1 HT2 GLY 1 -9.008 2.931 0.383 3 H3 GLY 1 HT3 GLY 1 -10.162 4.160 0.179 4 HA2 GLY 1 HA1 GLY 1 -9.680 4.842 2.249 5 HA3 GLY 1 HA2 GLY 1 -10.282 3.293 2.916 6 H ILE 2 HN ILE 2 -7.460 2.741 1.401 7 HA ILE 2 HA ILE 2 -5.735 4.040 3.411 8 HB ILE 2 HB ILE 2 -5.375 1.829 1.395 9 HG12 ILE 2 HG12 ILE 2 -4.799 2.004 4.366 10 HG13 ILE 2 HG11 ILE 2 -6.319 1.418 3.687 11 HG21 ILE 2 HG21 ILE 2 -3.350 3.207 1.212 12 HG22 ILE 2 HG22 ILE 2 -2.990 1.710 2.072 13 HG23 ILE 2 HG23 ILE 2 -3.181 3.216 2.968 14 HD11 ILE 2 HD11 ILE 2 -4.354 0.017 2.282 15 HD12 ILE 2 HD12 ILE 2 -5.360 -0.621 3.582 16 HD13 ILE 2 HD13 ILE 2 -3.765 0.041 3.944 17 H VAL 3 HN VAL 3 -6.380 4.150 -0.044 18 HA VAL 3 HA VAL 3 -4.152 5.491 -1.029 19 HB VAL 3 HB VAL 3 -5.494 6.243 -2.807 20 HG11 VAL 3 HG11 VAL 3 -6.743 4.371 -3.384 21 HG12 VAL 3 HG12 VAL 3 -7.412 4.191 -1.762 22 HG13 VAL 3 HG13 VAL 3 -5.746 3.714 -2.086 23 HG21 VAL 3 HG21 VAL 3 -7.720 6.425 -0.756 24 HG22 VAL 3 HG22 VAL 3 -8.000 6.579 -2.489 25 HG23 VAL 3 HG23 VAL 3 -6.976 7.748 -1.656 26 H GLU 4 HN GLU 4 -6.827 6.826 0.817 27 HA GLU 4 HA GLU 4 -6.184 9.569 0.661 28 HB2 GLU 4 HB2 GLU 4 -7.196 8.279 3.193 29 HB3 GLU 4 HB1 GLU 4 -7.597 9.865 2.533 30 HG2 GLU 4 HG2 GLU 4 -8.488 8.456 0.487 31 HG3 GLU 4 HG1 GLU 4 -8.572 7.158 1.680 32 H GLN 5 HN GLN 5 -4.451 7.026 2.183 33 HA GLN 5 HA GLN 5 -2.956 8.980 3.870 34 HB2 GLN 5 HB2 GLN 5 -3.957 6.696 4.724 35 HB3 GLN 5 HB1 GLN 5 -2.505 6.017 3.988 36 HG2 GLN 5 HG2 GLN 5 -1.095 7.026 5.502 37 HG3 GLN 5 HG1 GLN 5 -2.151 8.424 5.712 38 HE21 GLN 5 HE21 GLN 5 -4.258 7.950 6.962 39 HE22 GLN 5 HE22 GLN 5 -4.186 6.802 8.211 40 H CYS 6 HN CYS 6 -2.580 6.692 1.204 41 HA CYS 6 HA CYS 6 0.330 7.330 1.107 42 HB2 CYS 6 HB2 CYS 6 -1.356 5.101 0.018 43 HB3 CYS 6 HB1 CYS 6 0.173 5.489 -0.769 44 H CYS 7 HN CYS 7 -2.663 7.659 -0.706 45 HA CYS 7 HA CYS 7 -1.271 8.736 -3.067 46 HB2 CYS 7 HB2 CYS 7 -4.085 8.096 -2.309 47 HB3 CYS 7 HB1 CYS 7 -3.846 9.342 -3.531 48 H THR 8 HN THR 8 -2.395 9.921 -0.061 49 HA THR 8 HA THR 8 -2.542 12.695 -1.144 50 HB THR 8 HB THR 8 -4.275 11.399 0.563 51 HG1 THR 8 HG1 THR 8 -3.869 13.840 -0.417 52 HG21 THR 8 HG21 THR 8 -2.409 13.104 2.237 53 HG22 THR 8 HG22 THR 8 -2.730 11.382 2.439 54 HG23 THR 8 HG23 THR 8 -4.001 12.560 2.767 55 H SER 9 HN SER 9 -0.528 10.545 0.540 56 HA SER 9 HA SER 9 1.378 12.731 1.089 57 HB2 SER 9 HB2 SER 9 0.410 10.835 3.251 58 HB3 SER 9 HB1 SER 9 1.768 11.944 3.417 59 HG SER 9 HG SER 9 0.132 13.594 2.756 60 H ILE 10 HN ILE 10 3.572 11.859 1.478 61 HA ILE 10 HA ILE 10 4.009 9.417 -0.080 62 HB ILE 10 HB ILE 10 6.098 10.979 1.449 63 HG12 ILE 10 HG12 ILE 10 4.713 12.533 0.095 64 HG13 ILE 10 HG11 ILE 10 6.344 12.379 -0.560 65 HG21 ILE 10 HG21 ILE 10 6.685 8.771 0.399 66 HG22 ILE 10 HG22 ILE 10 7.586 10.131 -0.271 67 HG23 ILE 10 HG23 ILE 10 6.229 9.446 -1.165 68 HD11 ILE 10 HD11 ILE 10 4.074 12.083 -2.049 69 HD12 ILE 10 HD12 ILE 10 4.400 10.410 -1.597 70 HD13 ILE 10 HD13 ILE 10 5.622 11.344 -2.458 71 H CYS 11 HN CYS 11 3.301 7.641 1.108 72 HA CYS 11 HA CYS 11 4.052 7.359 3.930 73 HB2 CYS 11 HB2 CYS 11 3.026 5.029 3.605 74 HB3 CYS 11 HB1 CYS 11 1.942 6.403 3.409 75 H SER 12 HN SER 12 5.117 5.164 4.561 76 HA SER 12 HA SER 12 7.460 4.767 2.747 77 HB2 SER 12 HB2 SER 12 8.766 4.246 4.686 78 HB3 SER 12 HB1 SER 12 7.846 5.691 5.088 79 HG SER 12 HG SER 12 6.511 4.506 6.335 80 H LEU 13 HN LEU 13 8.164 2.615 2.333 81 HA LEU 13 HA LEU 13 6.273 0.630 1.896 82 HB2 LEU 13 HB2 LEU 13 8.717 0.609 1.185 83 HB3 LEU 13 HB1 LEU 13 9.096 0.018 2.803 84 HG LEU 13 HG LEU 13 6.921 -1.528 1.765 85 HD11 LEU 13 HD11 LEU 13 8.265 -2.595 -0.126 86 HD12 LEU 13 HD12 LEU 13 9.294 -1.164 -0.077 87 HD13 LEU 13 HD13 LEU 13 7.583 -1.007 -0.474 88 HD21 LEU 13 HD21 LEU 13 8.444 -2.343 3.456 89 HD22 LEU 13 HD22 LEU 13 9.831 -2.099 2.395 90 HD23 LEU 13 HD23 LEU 13 8.650 -3.356 2.027 91 H TYR 14 HN TYR 14 7.841 1.491 4.909 92 HA TYR 14 HA TYR 14 7.259 -0.845 6.422 93 HB2 TYR 14 HB2 TYR 14 7.368 2.068 7.284 94 HB3 TYR 14 HB1 TYR 14 7.286 0.704 8.406 95 HD1 TYR 14 HD2 TYR 14 9.050 -1.328 6.911 96 HD2 TYR 14 HD1 TYR 14 9.693 2.881 7.635 97 HE1 TYR 14 HE2 TYR 14 11.474 -1.641 6.705 98 HE2 TYR 14 HE1 TYR 14 12.113 2.533 7.426 99 HH TYR 14 HH TYR 14 13.749 0.887 7.476 100 H GLN 15 HN GLN 15 5.358 2.179 6.117 101 HA GLN 15 HA GLN 15 3.097 1.221 7.576 102 HB2 GLN 15 HB2 GLN 15 3.105 3.231 5.301 103 HB3 GLN 15 HB1 GLN 15 1.883 3.077 6.564 104 HG2 GLN 15 HG2 GLN 15 4.763 3.531 7.305 105 HG3 GLN 15 HG1 GLN 15 3.745 4.892 6.833 106 HE21 GLN 15 HE21 GLN 15 4.401 2.591 9.385 107 HE22 GLN 15 HE22 GLN 15 3.236 3.170 10.476 108 H LEU 16 HN LEU 16 4.134 0.765 4.258 109 HA LEU 16 HA LEU 16 1.597 -0.249 3.294 110 HB2 LEU 16 HB2 LEU 16 4.441 -0.338 2.305 111 HB3 LEU 16 HB1 LEU 16 3.204 -1.325 1.526 112 HG LEU 16 HG LEU 16 1.815 0.866 1.436 113 HD11 LEU 16 HD11 LEU 16 3.030 2.920 1.531 114 HD12 LEU 16 HD12 LEU 16 4.580 2.083 1.600 115 HD13 LEU 16 HD13 LEU 16 3.486 2.030 2.983 116 HD21 LEU 16 HD21 LEU 16 2.456 1.027 -0.752 117 HD22 LEU 16 HD22 LEU 16 3.417 -0.402 -0.372 118 HD23 LEU 16 HD23 LEU 16 4.163 1.196 -0.344 119 H GLU 17 HN GLU 17 4.511 -1.702 4.706 120 HA GLU 17 HA GLU 17 3.877 -4.428 4.320 121 HB2 GLU 17 HB2 GLU 17 5.548 -2.856 6.186 122 HB3 GLU 17 HB1 GLU 17 5.021 -4.418 6.805 123 HG2 GLU 17 HG2 GLU 17 6.368 -4.001 4.122 124 HG3 GLU 17 HG1 GLU 17 7.191 -4.558 5.579 125 H ASN 18 HN ASN 18 2.656 -2.055 6.621 126 HA ASN 18 HA ASN 18 1.234 -3.983 8.262 127 HB2 ASN 18 HB2 ASN 18 1.878 -1.705 9.066 128 HB3 ASN 18 HB1 ASN 18 0.723 -1.010 7.928 129 HD21 ASN 18 HD21 ASN 18 0.380 -3.937 9.998 130 HD22 ASN 18 HD22 ASN 18 -0.993 -3.374 10.822 131 H TYR 19 HN TYR 19 0.558 -2.250 5.292 132 HA TYR 19 HA TYR 19 -2.280 -2.421 5.287 133 HB2 TYR 19 HB2 TYR 19 -0.330 -2.654 2.956 134 HB3 TYR 19 HB1 TYR 19 -2.093 -2.400 2.794 135 HD1 TYR 19 HD1 TYR 19 -1.006 -0.717 5.831 136 HD2 TYR 19 HD2 TYR 19 -0.994 -0.155 1.544 137 HE1 TYR 19 HE1 TYR 19 -0.697 1.688 6.116 138 HE2 TYR 19 HE2 TYR 19 -0.682 2.242 1.873 139 HH TYR 19 HH TYR 19 -0.068 3.611 5.039 140 H CYS 20 HN CYS 20 0.142 -4.852 5.036 141 HA CYS 20 HA CYS 20 -1.549 -6.832 3.706 142 HB2 CYS 20 HB2 CYS 20 1.187 -6.759 4.894 143 HB3 CYS 20 HB1 CYS 20 0.395 -8.331 4.795 144 H ASN 21 HN ASN 21 -3.058 -5.877 5.734 145 HA ASN 21 HA ASN 21 -3.630 -8.216 7.302 146 HB2 ASN 21 HB2 ASN 21 -1.596 -6.581 8.370 147 HB3 ASN 21 HB1 ASN 21 -3.045 -6.208 9.304 148 HD21 ASN 21 HD21 ASN 21 -4.343 -8.738 9.245 149 HD22 ASN 21 HD22 ASN 21 -3.389 -9.864 10.085 150 H1 PHE 22 HT1 PHE 22 14.233 2.843 -1.156 151 H2 PHE 22 HT2 PHE 22 14.479 1.163 -1.213 152 H3 PHE 22 HT3 PHE 22 13.294 1.817 -0.185 153 HA PHE 22 HA PHE 22 13.154 2.252 -3.096 154 HB2 PHE 22 HB2 PHE 22 11.367 0.223 -2.636 155 HB3 PHE 22 HB1 PHE 22 12.961 -0.001 -3.352 156 HD1 PHE 22 HD1 PHE 22 11.122 0.015 -0.107 157 HD2 PHE 22 HD2 PHE 22 14.641 -1.241 -2.229 158 HE1 PHE 22 HE1 PHE 22 11.794 -1.377 1.833 159 HE2 PHE 22 HE2 PHE 22 15.314 -2.634 -0.289 160 HZ PHE 22 HZ PHE 22 13.891 -2.702 1.743 161 H VAL 23 HN VAL 23 12.350 4.310 -2.048 162 HA VAL 23 HA VAL 23 9.439 4.139 -1.800 163 HB VAL 23 HB VAL 23 10.660 3.798 0.536 164 HG11 VAL 23 HG11 VAL 23 11.414 5.663 1.618 165 HG12 VAL 23 HG12 VAL 23 10.263 6.724 0.806 166 HG13 VAL 23 HG13 VAL 23 11.729 6.210 -0.029 167 HG21 VAL 23 HG21 VAL 23 8.630 5.458 1.337 168 HG22 VAL 23 HG22 VAL 23 8.418 3.776 0.849 169 HG23 VAL 23 HG23 VAL 23 8.156 5.073 -0.318 170 H ASN 24 HN ASN 24 9.114 6.701 -0.671 171 HA ASN 24 HA ASN 24 9.212 8.995 -1.217 172 HB2 ASN 24 HB2 ASN 24 11.489 8.343 -3.100 173 HB3 ASN 24 HB1 ASN 24 11.126 9.884 -2.324 174 HD21 ASN 24 HD21 ASN 24 13.302 7.424 -2.131 175 HD22 ASN 24 HD22 ASN 24 13.648 7.461 -0.470 176 H GLN 25 HN GLN 25 7.702 6.913 -2.676 177 HA GLN 25 HA GLN 25 7.357 8.393 -5.253 178 HB2 GLN 25 HB2 GLN 25 8.273 5.807 -5.069 179 HB3 GLN 25 HB1 GLN 25 6.536 5.561 -5.247 180 HG2 GLN 25 HG2 GLN 25 6.511 6.944 -7.262 181 HG3 GLN 25 HG1 GLN 25 8.227 7.299 -7.065 182 HE21 GLN 25 HE21 GLN 25 7.017 5.924 -9.376 183 HE22 GLN 25 HE22 GLN 25 7.706 4.374 -9.432 184 H HIS 26 HN HIS 26 5.135 8.454 -6.024 185 HA HIS 26 HA HIS 26 3.179 8.157 -3.793 186 HB2 HIS 26 HB2 HIS 26 3.607 10.241 -5.574 187 HB3 HIS 26 HB1 HIS 26 2.224 9.398 -6.275 188 HD2 HIS 26 HD2 HIS 26 0.283 11.209 -5.389 189 HE1 HIS 26 HE1 HIS 26 1.111 10.781 -1.264 190 HE2 HIS 26 HE2 HIS 26 -0.485 11.799 -2.974 191 H LEU 27 HN LEU 27 0.829 7.646 -4.944 192 HA LEU 27 HA LEU 27 1.050 5.711 -7.123 193 HB2 LEU 27 HB2 LEU 27 -0.165 4.065 -5.242 194 HB3 LEU 27 HB1 LEU 27 1.493 3.920 -5.812 195 HG LEU 27 HG LEU 27 2.288 5.303 -3.975 196 HD11 LEU 27 HD11 LEU 27 -0.312 5.386 -2.576 197 HD12 LEU 27 HD12 LEU 27 -0.220 6.414 -4.006 198 HD13 LEU 27 HD13 LEU 27 0.941 6.622 -2.694 199 HD21 LEU 27 HD21 LEU 27 1.781 2.823 -3.666 200 HD22 LEU 27 HD22 LEU 27 0.300 3.322 -2.849 201 HD23 LEU 27 HD23 LEU 27 1.869 3.775 -2.183 202 H CYS 28 HN CYS 28 -1.317 4.269 -6.521 203 HA CYS 28 HA CYS 28 -3.640 5.282 -5.687 204 HB2 CYS 28 HB2 CYS 28 -2.605 7.082 -7.809 205 HB3 CYS 28 HB1 CYS 28 -4.293 6.607 -7.973 206 H GLY 29 HN GLY 29 -5.466 4.272 -6.684 207 HA2 GLY 29 HA2 GLY 29 -6.444 2.474 -7.836 208 HA3 GLY 29 HA1 GLY 29 -5.607 3.136 -9.240 209 H SER 30 HN SER 30 -4.520 1.513 -10.225 210 HA SER 30 HA SER 30 -3.739 -0.928 -9.014 211 HB2 SER 30 HB2 SER 30 -2.048 0.037 -11.246 212 HB3 SER 30 HB1 SER 30 -2.936 -1.474 -11.079 213 HG SER 30 HG SER 30 -4.839 -0.330 -11.549 214 H ASP 31 HN ASP 31 -1.719 1.944 -9.767 215 HA ASP 31 HA ASP 31 0.745 1.102 -8.838 216 HB2 ASP 31 HB2 ASP 31 -0.414 3.778 -8.032 217 HB3 ASP 31 HB1 ASP 31 1.276 3.384 -8.337 218 H LEU 32 HN LEU 32 -1.993 2.202 -6.838 219 HA LEU 32 HA LEU 32 -0.628 1.987 -4.335 220 HB2 LEU 32 HB2 LEU 32 -3.176 2.748 -5.156 221 HB3 LEU 32 HB1 LEU 32 -3.464 1.299 -4.189 222 HG LEU 32 HG LEU 32 -1.511 2.773 -2.789 223 HD11 LEU 32 HD11 LEU 32 -2.465 4.627 -4.389 224 HD12 LEU 32 HD12 LEU 32 -2.248 4.987 -2.677 225 HD13 LEU 32 HD13 LEU 32 -3.850 4.589 -3.297 226 HD21 LEU 32 HD21 LEU 32 -4.012 3.259 -1.598 227 HD22 LEU 32 HD22 LEU 32 -2.919 1.920 -1.244 228 HD23 LEU 32 HD23 LEU 32 -4.197 1.723 -2.445 229 H VAL 33 HN VAL 33 -3.268 -0.234 -5.280 230 HA VAL 33 HA VAL 33 -2.606 -2.348 -3.609 231 HB VAL 33 HB VAL 33 -3.722 -3.838 -5.167 232 HG11 VAL 33 HG11 VAL 33 -5.180 -1.342 -5.816 233 HG12 VAL 33 HG12 VAL 33 -4.854 -1.617 -4.104 234 HG13 VAL 33 HG13 VAL 33 -5.757 -2.813 -5.034 235 HG21 VAL 33 HG21 VAL 33 -4.162 -3.204 -7.475 236 HG22 VAL 33 HG22 VAL 33 -2.430 -3.068 -7.173 237 HG23 VAL 33 HG23 VAL 33 -3.435 -1.619 -7.215 238 H GLU 34 HN GLU 34 -1.065 -1.433 -6.643 239 HA GLU 34 HA GLU 34 0.541 -3.764 -6.982 240 HB2 GLU 34 HB2 GLU 34 0.618 -0.934 -7.931 241 HB3 GLU 34 HB1 GLU 34 2.091 -1.885 -8.080 242 HG2 GLU 34 HG2 GLU 34 -0.384 -3.261 -8.936 243 HG3 GLU 34 HG1 GLU 34 0.104 -1.894 -9.938 244 H ALA 35 HN ALA 35 1.328 -0.605 -5.469 245 HA ALA 35 HA ALA 35 3.918 -1.298 -4.577 246 HB1 ALA 35 HB1 ALA 35 3.597 0.927 -4.174 247 HB2 ALA 35 HB2 ALA 35 3.084 0.356 -2.586 248 HB3 ALA 35 HB3 ALA 35 1.882 0.719 -3.825 249 H LEU 36 HN LEU 36 0.835 -1.531 -2.745 250 HA LEU 36 HA LEU 36 1.947 -2.796 -0.458 251 HB2 LEU 36 HB2 LEU 36 -0.798 -3.287 -1.660 252 HB3 LEU 36 HB1 LEU 36 -0.319 -3.614 0.002 253 HG LEU 36 HG LEU 36 -1.296 -1.556 0.315 254 HD11 LEU 36 HD11 LEU 36 1.063 -1.274 0.953 255 HD12 LEU 36 HD12 LEU 36 0.402 0.239 0.331 256 HD13 LEU 36 HD13 LEU 36 1.451 -0.749 -0.686 257 HD21 LEU 36 HD21 LEU 36 -0.353 -0.115 -2.061 258 HD22 LEU 36 HD22 LEU 36 -1.982 -0.246 -1.397 259 HD23 LEU 36 HD23 LEU 36 -1.350 -1.518 -2.442 260 H TYR 37 HN TYR 37 1.095 -3.964 -3.615 261 HA TYR 37 HA TYR 37 1.269 -6.785 -2.975 262 HB2 TYR 37 HB2 TYR 37 -0.008 -6.013 -4.916 263 HB3 TYR 37 HB1 TYR 37 1.447 -5.298 -5.618 264 HD1 TYR 37 HD1 TYR 37 0.097 -8.653 -4.413 265 HD2 TYR 37 HD2 TYR 37 2.916 -6.682 -7.022 266 HE1 TYR 37 HE1 TYR 37 0.700 -10.807 -5.418 267 HE2 TYR 37 HE2 TYR 37 3.494 -8.852 -8.011 268 HH TYR 37 HH TYR 37 3.311 -11.455 -6.962 269 H LEU 38 HN LEU 38 3.581 -4.310 -3.321 270 HA LEU 38 HA LEU 38 5.714 -6.219 -4.127 271 HB2 LEU 38 HB2 LEU 38 6.476 -3.439 -3.447 272 HB3 LEU 38 HB1 LEU 38 6.962 -4.434 -4.817 273 HG LEU 38 HG LEU 38 4.269 -3.101 -4.514 274 HD11 LEU 38 HD11 LEU 38 5.960 -1.416 -4.875 275 HD12 LEU 38 HD12 LEU 38 5.118 -1.672 -6.403 276 HD13 LEU 38 HD13 LEU 38 6.712 -2.381 -6.145 277 HD21 LEU 38 HD21 LEU 38 4.225 -3.687 -7.024 278 HD22 LEU 38 HD22 LEU 38 3.971 -5.007 -5.882 279 HD23 LEU 38 HD23 LEU 38 5.544 -4.797 -6.652 280 H VAL 39 HN VAL 39 5.019 -3.854 -1.531 281 HA VAL 39 HA VAL 39 7.145 -4.429 0.185 282 HB VAL 39 HB VAL 39 5.851 -3.514 1.940 283 HG11 VAL 39 HG11 VAL 39 5.233 -1.546 0.968 284 HG12 VAL 39 HG12 VAL 39 4.153 -2.339 -0.180 285 HG13 VAL 39 HG13 VAL 39 5.888 -2.288 -0.492 286 HG21 VAL 39 HG21 VAL 39 4.017 -4.990 2.153 287 HG22 VAL 39 HG22 VAL 39 3.520 -4.757 0.477 288 HG23 VAL 39 HG23 VAL 39 3.264 -3.474 1.659 289 H CYS 40 HN CYS 40 4.187 -6.276 -0.374 290 HA CYS 40 HA CYS 40 5.055 -8.319 1.582 291 HB2 CYS 40 HB2 CYS 40 2.519 -7.585 0.279 292 HB3 CYS 40 HB1 CYS 40 2.790 -9.324 0.411 293 H GLY 41 HN GLY 41 4.103 -8.168 -1.832 294 HA2 GLY 41 HA2 GLY 41 5.077 -9.276 -3.679 295 HA3 GLY 41 HA1 GLY 41 6.283 -9.951 -2.585 296 H GLU 42 HN GLU 42 4.809 -11.369 -0.782 297 HA GLU 42 HA GLU 42 3.365 -13.326 -2.524 298 HB2 GLU 42 HB2 GLU 42 4.082 -15.024 -0.779 299 HB3 GLU 42 HB1 GLU 42 5.391 -14.342 -1.744 300 HG2 GLU 42 HG2 GLU 42 6.290 -13.213 0.027 301 HG3 GLU 42 HG1 GLU 42 4.712 -12.860 0.732 302 H ARG 43 HN ARG 43 2.376 -10.978 -0.823 303 HA ARG 43 HA ARG 43 1.035 -11.917 1.487 304 HB2 ARG 43 HB2 ARG 43 -0.633 -10.068 0.965 305 HB3 ARG 43 HB1 ARG 43 1.052 -9.553 1.040 306 HG2 ARG 43 HG2 ARG 43 1.240 -9.455 -1.327 307 HG3 ARG 43 HG1 ARG 43 -0.252 -10.367 -1.559 308 HD2 ARG 43 HD2 ARG 43 -0.589 -7.910 0.026 309 HD3 ARG 43 HD1 ARG 43 -0.072 -7.625 -1.636 310 HE ARG 43 HE ARG 43 -2.530 -9.180 -0.925 311 HH11 ARG 43 HH21 ARG 43 -2.539 -6.227 -1.783 312 HH12 ARG 43 HH22 ARG 43 -2.969 -6.381 -3.454 313 HH21 ARG 43 HH11 ARG 43 -2.274 -9.775 -3.593 314 HH22 ARG 43 HH12 ARG 43 -2.819 -8.390 -4.479 315 H GLY 44 HN GLY 44 -1.618 -11.830 1.336 316 HA2 GLY 44 HA2 GLY 44 -2.311 -14.260 -0.094 317 HA3 GLY 44 HA1 GLY 44 -3.427 -13.255 0.831 318 H GLY 45 HN GLY 45 -3.942 -14.405 -1.790 319 HA2 GLY 45 HA2 GLY 45 -3.687 -12.250 -3.748 320 HA3 GLY 45 HA1 GLY 45 -4.575 -13.757 -3.977 321 H PHE 46 HN PHE 46 -4.841 -10.981 -1.721 322 HA PHE 46 HA PHE 46 -7.605 -10.536 -2.686 323 HB2 PHE 46 HB2 PHE 46 -7.876 -12.161 -0.873 324 HB3 PHE 46 HB1 PHE 46 -6.883 -11.140 0.209 325 HD1 PHE 46 HD1 PHE 46 -10.016 -10.765 -2.029 326 HD2 PHE 46 HD2 PHE 46 -8.090 -9.534 1.644 327 HE1 PHE 46 HE1 PHE 46 -11.979 -9.451 -1.409 328 HE2 PHE 46 HE2 PHE 46 -10.076 -8.237 2.226 329 HZ PHE 46 HZ PHE 46 -12.024 -8.185 0.710 330 H TYR 47 HN TYR 47 -8.206 -8.379 -2.516 331 HA TYR 47 HA TYR 47 -7.043 -6.505 -0.682 332 HB2 TYR 47 HB2 TYR 47 -5.094 -7.051 -2.277 333 HB3 TYR 47 HB1 TYR 47 -6.041 -6.195 -3.530 334 HD1 TYR 47 HD2 TYR 47 -6.519 -3.658 -3.265 335 HD2 TYR 47 HD1 TYR 47 -4.101 -5.703 -0.316 336 HE1 TYR 47 HE2 TYR 47 -5.758 -1.517 -2.368 337 HE2 TYR 47 HE1 TYR 47 -3.363 -3.539 0.543 338 HH TYR 47 HH TYR 47 -4.252 -0.511 -1.030 339 H THR 48 HN THR 48 -9.310 -5.981 -0.581 340 HA THR 48 HA THR 48 -10.363 -4.596 -3.007 341 HB THR 48 HB THR 48 -12.057 -5.484 -0.683 342 HG1 THR 48 HG1 THR 48 -12.156 -7.468 -1.486 343 HG21 THR 48 HG21 THR 48 -12.550 -4.079 -3.042 344 HG22 THR 48 HG22 THR 48 -13.761 -4.834 -2.007 345 HG23 THR 48 HG23 THR 48 -13.109 -5.716 -3.388 346 H LYS 49 HN LYS 49 -10.374 -4.429 0.532 347 HA LYS 49 HA LYS 49 -9.510 -1.830 0.869 348 HB2 LYS 49 HB2 LYS 49 -11.091 -0.657 -0.297 349 HB3 LYS 49 HB1 LYS 49 -12.296 -1.929 -0.158 350 HG2 LYS 49 HG2 LYS 49 -12.903 -1.244 2.051 351 HG3 LYS 49 HG1 LYS 49 -11.480 -0.212 2.197 352 HD2 LYS 49 HD2 LYS 49 -12.337 1.327 0.550 353 HD3 LYS 49 HD1 LYS 49 -13.664 0.237 0.146 354 HE2 LYS 49 HE2 LYS 49 -14.862 1.439 1.651 355 HE3 LYS 49 HE1 LYS 49 -13.966 0.528 2.867 356 HZ1 LYS 49 HZ1 LYS 49 -13.826 2.912 3.250 357 HZ2 LYS 49 HZ2 LYS 49 -13.138 3.136 1.713 358 HZ3 LYS 49 HZ3 LYS 49 -12.298 2.263 2.904 359 HA PRO 50 HA PRO 50 -12.151 -3.002 4.664 360 HB2 PRO 50 HB2 PRO 50 -13.897 -5.107 4.412 361 HB3 PRO 50 HB1 PRO 50 -14.340 -3.419 4.100 362 HG2 PRO 50 HG2 PRO 50 -13.812 -5.615 2.148 363 HG3 PRO 50 HG1 PRO 50 -14.848 -4.188 1.978 364 HD2 PRO 50 HD2 PRO 50 -12.273 -4.479 0.870 365 HD3 PRO 50 HD1 PRO 50 -13.160 -2.953 1.050 366 H THR 51 HN THR 51 -12.367 -5.152 6.145 367 HA THR 51 HA THR 51 -10.270 -7.095 5.285 368 HB THR 51 HB THR 51 -10.379 -6.358 8.165 369 HG1 THR 51 HG1 THR 51 -9.621 -4.645 6.087 370 HG21 THR 51 HG21 THR 51 -8.542 -7.646 8.031 371 HG22 THR 51 HG22 THR 51 -7.767 -6.346 7.125 372 HG23 THR 51 HG23 THR 51 -8.609 -7.639 6.269 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -6.245 9.760 7.105 2 H2 GLY 1 HT2 GLY 1 -4.994 8.700 7.552 3 H3 GLY 1 HT3 GLY 1 -6.063 8.275 6.302 4 HA2 GLY 1 HA1 GLY 1 -4.901 9.518 4.824 5 HA3 GLY 1 HA2 GLY 1 -4.636 10.870 5.966 6 H ILE 2 HN ILE 2 -4.342 7.425 4.731 7 HA ILE 2 HA ILE 2 -1.484 7.191 5.198 8 HB ILE 2 HB ILE 2 -3.436 5.551 3.563 9 HG12 ILE 2 HG12 ILE 2 -2.051 5.106 6.228 10 HG13 ILE 2 HG11 ILE 2 -3.766 5.443 5.990 11 HG21 ILE 2 HG21 ILE 2 -0.547 5.594 3.508 12 HG22 ILE 2 HG22 ILE 2 -1.657 4.592 2.573 13 HG23 ILE 2 HG23 ILE 2 -1.112 4.057 4.163 14 HD11 ILE 2 HD11 ILE 2 -3.788 3.351 4.488 15 HD12 ILE 2 HD12 ILE 2 -3.656 3.088 6.227 16 HD13 ILE 2 HD13 ILE 2 -2.223 2.970 5.207 17 H VAL 3 HN VAL 3 -3.492 8.345 2.586 18 HA VAL 3 HA VAL 3 -1.488 8.162 0.514 19 HB VAL 3 HB VAL 3 -3.037 9.267 -0.853 20 HG11 VAL 3 HG11 VAL 3 -4.811 7.896 -0.557 21 HG12 VAL 3 HG12 VAL 3 -5.187 8.595 1.019 22 HG13 VAL 3 HG13 VAL 3 -3.973 7.323 0.885 23 HG21 VAL 3 HG21 VAL 3 -3.139 11.377 0.379 24 HG22 VAL 3 HG22 VAL 3 -4.066 10.612 1.670 25 HG23 VAL 3 HG23 VAL 3 -4.782 10.814 0.071 26 H GLU 4 HN GLU 4 -2.282 10.517 2.958 27 HA GLU 4 HA GLU 4 -0.799 12.720 1.866 28 HB2 GLU 4 HB2 GLU 4 -1.157 12.264 4.822 29 HB3 GLU 4 HB1 GLU 4 -1.183 13.785 3.927 30 HG2 GLU 4 HG2 GLU 4 -3.227 12.226 2.788 31 HG3 GLU 4 HG1 GLU 4 -3.378 11.987 4.530 32 H GLN 5 HN GLN 5 0.236 9.756 3.150 33 HA GLN 5 HA GLN 5 2.876 10.906 3.928 34 HB2 GLN 5 HB2 GLN 5 1.269 8.667 4.883 35 HB3 GLN 5 HB1 GLN 5 2.920 8.176 4.502 36 HG2 GLN 5 HG2 GLN 5 2.834 10.738 5.902 37 HG3 GLN 5 HG1 GLN 5 2.096 9.440 6.843 38 HE21 GLN 5 HE21 GLN 5 3.489 7.335 6.907 39 HE22 GLN 5 HE22 GLN 5 5.169 7.539 7.033 40 H CYS 6 HN CYS 6 1.309 8.685 1.674 41 HA CYS 6 HA CYS 6 3.976 8.097 0.468 42 HB2 CYS 6 HB2 CYS 6 1.283 6.752 0.116 43 HB3 CYS 6 HB1 CYS 6 2.737 6.310 -0.780 44 H CYS 7 HN CYS 7 0.789 9.467 -0.259 45 HA CYS 7 HA CYS 7 1.180 9.762 -3.080 46 HB2 CYS 7 HB2 CYS 7 -0.938 10.154 -1.518 47 HB3 CYS 7 HB1 CYS 7 -0.369 11.823 -1.567 48 H THR 8 HN THR 8 2.764 11.251 -0.482 49 HA THR 8 HA THR 8 3.527 13.599 -2.162 50 HB THR 8 HB THR 8 2.699 13.988 0.210 51 HG1 THR 8 HG1 THR 8 4.152 15.569 0.473 52 HG21 THR 8 HG21 THR 8 5.372 12.793 0.973 53 HG22 THR 8 HG22 THR 8 3.850 11.909 1.091 54 HG23 THR 8 HG23 THR 8 4.102 13.363 2.056 55 H SER 9 HN SER 9 4.751 10.846 -0.334 56 HA SER 9 HA SER 9 7.336 11.104 -1.810 57 HB2 SER 9 HB2 SER 9 6.836 10.467 1.098 58 HB3 SER 9 HB1 SER 9 8.299 9.913 0.290 59 HG SER 9 HG SER 9 7.451 12.498 0.928 60 H ILE 10 HN ILE 10 8.202 9.075 -2.517 61 HA ILE 10 HA ILE 10 6.173 7.005 -2.873 62 HB ILE 10 HB ILE 10 8.988 7.444 -3.824 63 HG12 ILE 10 HG12 ILE 10 7.432 6.563 -5.910 64 HG13 ILE 10 HG11 ILE 10 6.244 7.385 -4.899 65 HG21 ILE 10 HG21 ILE 10 7.605 4.818 -3.515 66 HG22 ILE 10 HG22 ILE 10 9.328 5.192 -3.477 67 HG23 ILE 10 HG23 ILE 10 8.478 5.106 -5.020 68 HD11 ILE 10 HD11 ILE 10 8.735 8.515 -6.164 69 HD12 ILE 10 HD12 ILE 10 7.983 9.304 -4.778 70 HD13 ILE 10 HD13 ILE 10 7.078 9.106 -6.279 71 H CYS 11 HN CYS 11 5.770 6.212 -0.768 72 HA CYS 11 HA CYS 11 7.679 5.464 1.168 73 HB2 CYS 11 HB2 CYS 11 5.063 4.048 0.575 74 HB3 CYS 11 HB1 CYS 11 5.944 4.023 2.102 75 H SER 12 HN SER 12 8.065 3.058 1.793 76 HA SER 12 HA SER 12 8.964 1.623 -0.671 77 HB2 SER 12 HB2 SER 12 10.627 0.561 0.728 78 HB3 SER 12 HB1 SER 12 10.689 2.293 1.035 79 HG SER 12 HG SER 12 9.273 1.871 2.840 80 H LEU 13 HN LEU 13 8.661 -0.705 -0.734 81 HA LEU 13 HA LEU 13 6.118 -1.654 -0.157 82 HB2 LEU 13 HB2 LEU 13 8.291 -2.755 -1.327 83 HB3 LEU 13 HB1 LEU 13 8.315 -3.629 0.205 84 HG LEU 13 HG LEU 13 5.711 -3.867 -0.321 85 HD11 LEU 13 HD11 LEU 13 7.057 -3.342 -2.968 86 HD12 LEU 13 HD12 LEU 13 5.533 -2.694 -2.362 87 HD13 LEU 13 HD13 LEU 13 5.634 -4.379 -2.872 88 HD21 LEU 13 HD21 LEU 13 7.853 -5.546 -1.659 89 HD22 LEU 13 HD22 LEU 13 6.212 -6.070 -1.284 90 HD23 LEU 13 HD23 LEU 13 7.341 -5.707 0.021 91 H TYR 14 HN TYR 14 8.816 -1.285 2.031 92 HA TYR 14 HA TYR 14 7.829 -2.995 4.125 93 HB2 TYR 14 HB2 TYR 14 10.182 -1.902 3.829 94 HB3 TYR 14 HB1 TYR 14 9.456 -0.501 4.626 95 HD1 TYR 14 HD1 TYR 14 9.565 -4.302 5.111 96 HD2 TYR 14 HD2 TYR 14 9.563 -0.446 7.056 97 HE1 TYR 14 HE1 TYR 14 9.800 -5.384 7.298 98 HE2 TYR 14 HE2 TYR 14 9.803 -1.560 9.228 99 HH TYR 14 HH TYR 14 10.785 -3.898 10.006 100 H GLN 15 HN GLN 15 7.462 0.502 3.485 101 HA GLN 15 HA GLN 15 5.899 1.026 5.837 102 HB2 GLN 15 HB2 GLN 15 6.223 2.444 3.194 103 HB3 GLN 15 HB1 GLN 15 5.076 3.024 4.401 104 HG2 GLN 15 HG2 GLN 15 7.274 2.646 5.958 105 HG3 GLN 15 HG1 GLN 15 8.037 3.084 4.430 106 HE21 GLN 15 HE21 GLN 15 8.142 4.849 6.683 107 HE22 GLN 15 HE22 GLN 15 7.220 6.229 6.325 108 H LEU 16 HN LEU 16 4.967 0.191 2.489 109 HA LEU 16 HA LEU 16 2.147 0.387 2.918 110 HB2 LEU 16 HB2 LEU 16 3.781 -1.300 1.002 111 HB3 LEU 16 HB1 LEU 16 2.018 -1.239 0.967 112 HG LEU 16 HG LEU 16 2.310 1.331 0.867 113 HD11 LEU 16 HD11 LEU 16 4.580 1.710 -0.469 114 HD12 LEU 16 HD12 LEU 16 5.098 0.317 0.480 115 HD13 LEU 16 HD13 LEU 16 4.541 1.780 1.292 116 HD21 LEU 16 HD21 LEU 16 1.825 1.074 -1.328 117 HD22 LEU 16 HD22 LEU 16 2.084 -0.652 -1.075 118 HD23 LEU 16 HD23 LEU 16 3.402 0.360 -1.666 119 H GLU 17 HN GLU 17 4.471 -2.190 3.578 120 HA GLU 17 HA GLU 17 2.619 -4.278 4.101 121 HB2 GLU 17 HB2 GLU 17 5.417 -3.632 4.907 122 HB3 GLU 17 HB1 GLU 17 4.562 -4.826 5.877 123 HG2 GLU 17 HG2 GLU 17 3.914 -5.889 3.591 124 HG3 GLU 17 HG1 GLU 17 5.245 -4.926 2.948 125 H ASN 18 HN ASN 18 3.437 -1.384 5.832 126 HA ASN 18 HA ASN 18 2.391 -2.248 8.406 127 HB2 ASN 18 HB2 ASN 18 3.569 0.174 7.255 128 HB3 ASN 18 HB1 ASN 18 2.250 0.524 8.371 129 HD21 ASN 18 HD21 ASN 18 5.477 -0.911 8.118 130 HD22 ASN 18 HD22 ASN 18 5.745 -1.042 9.789 131 H TYR 19 HN TYR 19 1.017 -0.915 5.471 132 HA TYR 19 HA TYR 19 -1.434 0.004 6.769 133 HB2 TYR 19 HB2 TYR 19 -1.122 -0.680 3.830 134 HB3 TYR 19 HB1 TYR 19 -2.262 0.475 4.579 135 HD1 TYR 19 HD2 TYR 19 0.488 1.197 6.575 136 HD2 TYR 19 HD1 TYR 19 -0.529 1.577 2.389 137 HE1 TYR 19 HE2 TYR 19 2.132 2.977 6.304 138 HE2 TYR 19 HE1 TYR 19 1.125 3.354 2.163 139 HH TYR 19 HH TYR 19 3.176 4.328 4.896 140 H CYS 20 HN CYS 20 -0.256 -3.023 6.431 141 HA CYS 20 HA CYS 20 -2.987 -4.183 6.049 142 HB2 CYS 20 HB2 CYS 20 -0.294 -5.101 5.075 143 HB3 CYS 20 HB1 CYS 20 -1.574 -6.279 5.362 144 H ASN 21 HN ASN 21 -2.886 -3.689 8.510 145 HA ASN 21 HA ASN 21 -2.760 -6.071 9.981 146 HB2 ASN 21 HB2 ASN 21 -0.640 -5.642 11.321 147 HB3 ASN 21 HB1 ASN 21 -0.381 -6.187 9.664 148 HD21 ASN 21 HD21 ASN 21 1.810 -4.983 10.294 149 HD22 ASN 21 HD22 ASN 21 1.879 -3.341 9.869 150 H1 PHE 22 HT1 PHE 22 6.199 -4.274 -6.431 151 H2 PHE 22 HT2 PHE 22 6.184 -2.856 -7.368 152 H3 PHE 22 HT3 PHE 22 5.386 -2.896 -5.868 153 HA PHE 22 HA PHE 22 7.552 -3.269 -4.772 154 HB2 PHE 22 HB2 PHE 22 8.434 -3.978 -7.210 155 HB3 PHE 22 HB1 PHE 22 8.876 -2.275 -7.257 156 HD1 PHE 22 HD2 PHE 22 8.987 -2.877 -3.875 157 HD2 PHE 22 HD1 PHE 22 11.077 -4.001 -7.464 158 HE1 PHE 22 HE2 PHE 22 11.012 -3.374 -2.543 159 HE2 PHE 22 HE1 PHE 22 13.103 -4.492 -6.124 160 HZ PHE 22 HZ PHE 22 13.071 -4.180 -3.664 161 H VAL 23 HN VAL 23 9.333 -1.129 -5.145 162 HA VAL 23 HA VAL 23 7.498 1.170 -4.763 163 HB VAL 23 HB VAL 23 9.464 0.436 -3.166 164 HG11 VAL 23 HG11 VAL 23 11.590 0.965 -3.732 165 HG12 VAL 23 HG12 VAL 23 11.101 2.422 -4.595 166 HG13 VAL 23 HG13 VAL 23 10.977 0.848 -5.381 167 HG21 VAL 23 HG21 VAL 23 9.578 3.352 -3.677 168 HG22 VAL 23 HG22 VAL 23 9.250 2.484 -2.190 169 HG23 VAL 23 HG23 VAL 23 7.976 2.676 -3.391 170 H ASN 24 HN ASN 24 9.392 3.165 -5.416 171 HA ASN 24 HA ASN 24 10.346 4.296 -7.257 172 HB2 ASN 24 HB2 ASN 24 10.922 1.698 -7.851 173 HB3 ASN 24 HB1 ASN 24 9.849 2.108 -9.190 174 HD21 ASN 24 HD21 ASN 24 12.682 1.646 -9.557 175 HD22 ASN 24 HD22 ASN 24 13.386 3.109 -10.050 176 H GLN 25 HN GLN 25 7.495 4.128 -6.513 177 HA GLN 25 HA GLN 25 6.402 5.330 -8.961 178 HB2 GLN 25 HB2 GLN 25 5.942 2.618 -8.528 179 HB3 GLN 25 HB1 GLN 25 4.493 3.392 -7.885 180 HG2 GLN 25 HG2 GLN 25 3.742 3.725 -9.977 181 HG3 GLN 25 HG1 GLN 25 5.170 4.698 -10.333 182 HE21 GLN 25 HE21 GLN 25 3.635 1.634 -10.912 183 HE22 GLN 25 HE22 GLN 25 4.889 0.943 -11.824 184 H HIS 26 HN HIS 26 4.257 6.364 -8.479 185 HA HIS 26 HA HIS 26 4.087 7.073 -5.574 186 HB2 HIS 26 HB2 HIS 26 4.399 8.726 -7.782 187 HB3 HIS 26 HB1 HIS 26 2.663 8.806 -7.470 188 HD2 HIS 26 HD2 HIS 26 2.531 11.199 -6.056 189 HE1 HIS 26 HE1 HIS 26 5.520 10.259 -3.214 190 HE2 HIS 26 HE2 HIS 26 3.751 11.972 -3.888 191 H LEU 27 HN LEU 27 1.567 7.898 -5.188 192 HA LEU 27 HA LEU 27 -0.334 6.304 -6.736 193 HB2 LEU 27 HB2 LEU 27 -1.002 5.270 -4.295 194 HB3 LEU 27 HB1 LEU 27 -0.053 4.425 -5.515 195 HG LEU 27 HG LEU 27 2.019 5.175 -4.483 196 HD11 LEU 27 HD11 LEU 27 1.246 6.284 -2.037 197 HD12 LEU 27 HD12 LEU 27 0.205 7.076 -3.220 198 HD13 LEU 27 HD13 LEU 27 1.957 7.154 -3.396 199 HD21 LEU 27 HD21 LEU 27 1.856 3.445 -3.049 200 HD22 LEU 27 HD22 LEU 27 0.111 3.457 -3.306 201 HD23 LEU 27 HD23 LEU 27 0.814 4.382 -1.979 202 H CYS 28 HN CYS 28 -2.413 6.124 -5.060 203 HA CYS 28 HA CYS 28 -3.372 7.890 -3.304 204 HB2 CYS 28 HB2 CYS 28 -2.617 9.464 -5.644 205 HB3 CYS 28 HB1 CYS 28 -4.330 9.627 -5.269 206 H GLY 29 HN GLY 29 -5.672 7.830 -3.211 207 HA2 GLY 29 HA2 GLY 29 -7.713 6.735 -3.621 208 HA3 GLY 29 HA1 GLY 29 -7.465 7.279 -5.282 209 H SER 30 HN SER 30 -7.359 5.670 -6.763 210 HA SER 30 HA SER 30 -7.392 2.904 -6.036 211 HB2 SER 30 HB2 SER 30 -6.712 4.194 -8.691 212 HB3 SER 30 HB1 SER 30 -7.062 2.484 -8.458 213 HG SER 30 HG SER 30 -8.985 3.359 -8.985 214 H ASP 31 HN ASP 31 -4.784 4.750 -7.687 215 HA ASP 31 HA ASP 31 -2.811 2.814 -7.756 216 HB2 ASP 31 HB2 ASP 31 -2.217 5.623 -6.807 217 HB3 ASP 31 HB1 ASP 31 -1.170 4.553 -7.734 218 H LEU 32 HN LEU 32 -3.886 4.640 -4.915 219 HA LEU 32 HA LEU 32 -1.808 3.675 -3.168 220 HB2 LEU 32 HB2 LEU 32 -3.942 5.468 -2.953 221 HB3 LEU 32 HB1 LEU 32 -4.342 4.175 -1.821 222 HG LEU 32 HG LEU 32 -1.588 4.626 -1.483 223 HD11 LEU 32 HD11 LEU 32 -1.481 7.038 -1.001 224 HD12 LEU 32 HD12 LEU 32 -3.143 7.231 -1.559 225 HD13 LEU 32 HD13 LEU 32 -1.879 6.765 -2.697 226 HD21 LEU 32 HD21 LEU 32 -4.112 4.943 0.020 227 HD22 LEU 32 HD22 LEU 32 -2.774 5.926 0.616 228 HD23 LEU 32 HD23 LEU 32 -2.601 4.175 0.507 229 H VAL 33 HN VAL 33 -5.261 2.851 -2.785 230 HA VAL 33 HA VAL 33 -4.930 0.473 -1.391 231 HB VAL 33 HB VAL 33 -7.125 -0.161 -2.100 232 HG11 VAL 33 HG11 VAL 33 -7.256 2.803 -2.568 233 HG12 VAL 33 HG12 VAL 33 -6.735 2.193 -0.998 234 HG13 VAL 33 HG13 VAL 33 -8.333 1.778 -1.619 235 HG21 VAL 33 HG21 VAL 33 -6.261 1.144 -4.621 236 HG22 VAL 33 HG22 VAL 33 -7.960 1.357 -4.200 237 HG23 VAL 33 HG23 VAL 33 -7.293 -0.265 -4.381 238 H GLU 34 HN GLU 34 -4.382 1.084 -4.789 239 HA GLU 34 HA GLU 34 -4.232 -1.653 -5.651 240 HB2 GLU 34 HB2 GLU 34 -3.479 1.006 -6.708 241 HB3 GLU 34 HB1 GLU 34 -2.493 -0.330 -7.298 242 HG2 GLU 34 HG2 GLU 34 -4.629 -1.555 -7.853 243 HG3 GLU 34 HG1 GLU 34 -5.505 -0.074 -7.460 244 H ALA 35 HN ALA 35 -1.659 0.699 -4.826 245 HA ALA 35 HA ALA 35 0.505 -1.115 -4.919 246 HB1 ALA 35 HB1 ALA 35 0.415 1.496 -4.481 247 HB2 ALA 35 HB2 ALA 35 1.753 0.538 -3.847 248 HB3 ALA 35 HB3 ALA 35 0.420 1.000 -2.789 249 H LEU 36 HN LEU 36 -1.395 -0.113 -2.043 250 HA LEU 36 HA LEU 36 -0.223 -1.977 -0.246 251 HB2 LEU 36 HB2 LEU 36 -3.091 -0.982 -0.228 252 HB3 LEU 36 HB1 LEU 36 -2.209 -1.651 1.141 253 HG LEU 36 HG LEU 36 -1.877 0.584 1.575 254 HD11 LEU 36 HD11 LEU 36 0.368 -0.363 1.165 255 HD12 LEU 36 HD12 LEU 36 0.305 1.346 0.735 256 HD13 LEU 36 HD13 LEU 36 0.258 0.118 -0.528 257 HD21 LEU 36 HD21 LEU 36 -1.430 1.588 -1.158 258 HD22 LEU 36 HD22 LEU 36 -2.435 2.245 0.134 259 HD23 LEU 36 HD23 LEU 36 -3.043 0.933 -0.877 260 H TYR 37 HN TYR 37 -2.370 -2.412 -2.887 261 HA TYR 37 HA TYR 37 -3.407 -5.000 -1.941 262 HB2 TYR 37 HB2 TYR 37 -4.818 -3.501 -3.324 263 HB3 TYR 37 HB1 TYR 37 -3.644 -3.618 -4.639 264 HD1 TYR 37 HD2 TYR 37 -3.139 -6.037 -5.632 265 HD2 TYR 37 HD1 TYR 37 -6.518 -5.281 -3.050 266 HE1 TYR 37 HE2 TYR 37 -4.205 -8.113 -6.389 267 HE2 TYR 37 HE1 TYR 37 -7.557 -7.362 -3.830 268 HH TYR 37 HH TYR 37 -6.116 -9.770 -5.130 269 H LEU 38 HN LEU 38 -0.641 -3.818 -3.547 270 HA LEU 38 HA LEU 38 -0.109 -6.349 -4.972 271 HB2 LEU 38 HB2 LEU 38 2.049 -4.327 -4.707 272 HB3 LEU 38 HB1 LEU 38 1.524 -5.228 -6.127 273 HG LEU 38 HG LEU 38 0.069 -2.884 -4.892 274 HD11 LEU 38 HD11 LEU 38 1.943 -3.199 -7.207 275 HD12 LEU 38 HD12 LEU 38 1.855 -1.902 -6.015 276 HD13 LEU 38 HD13 LEU 38 0.655 -1.999 -7.304 277 HD21 LEU 38 HD21 LEU 38 -1.487 -4.469 -5.898 278 HD22 LEU 38 HD22 LEU 38 -0.500 -4.544 -7.358 279 HD23 LEU 38 HD23 LEU 38 -1.343 -3.052 -6.937 280 H VAL 39 HN VAL 39 1.147 -4.471 -2.236 281 HA VAL 39 HA VAL 39 3.171 -6.446 -1.562 282 HB VAL 39 HB VAL 39 3.697 -5.030 0.261 283 HG11 VAL 39 HG11 VAL 39 4.168 -3.134 -0.912 284 HG12 VAL 39 HG12 VAL 39 2.475 -2.838 -1.291 285 HG13 VAL 39 HG13 VAL 39 3.408 -3.978 -2.259 286 HG21 VAL 39 HG21 VAL 39 0.822 -4.093 0.044 287 HG22 VAL 39 HG22 VAL 39 2.025 -3.269 1.035 288 HG23 VAL 39 HG23 VAL 39 1.576 -4.936 1.397 289 H CYS 40 HN CYS 40 -0.202 -6.053 -0.926 290 HA CYS 40 HA CYS 40 -0.066 -8.150 1.198 291 HB2 CYS 40 HB2 CYS 40 -2.349 -6.259 0.559 292 HB3 CYS 40 HB1 CYS 40 -2.231 -7.341 1.943 293 H GLY 41 HN GLY 41 -0.439 -7.983 -2.021 294 HA2 GLY 41 HA2 GLY 41 -2.899 -9.488 -2.391 295 HA3 GLY 41 HA1 GLY 41 -1.665 -9.210 -3.620 296 H GLU 42 HN GLU 42 0.222 -10.295 -1.318 297 HA GLU 42 HA GLU 42 0.213 -13.034 -2.349 298 HB2 GLU 42 HB2 GLU 42 2.305 -11.694 -1.864 299 HB3 GLU 42 HB1 GLU 42 1.941 -11.889 -0.150 300 HG2 GLU 42 HG2 GLU 42 2.983 -13.882 -0.219 301 HG3 GLU 42 HG1 GLU 42 1.695 -14.461 -1.277 302 H ARG 43 HN ARG 43 0.478 -11.920 1.002 303 HA ARG 43 HA ARG 43 -0.774 -14.334 2.012 304 HB2 ARG 43 HB2 ARG 43 -0.572 -13.273 4.204 305 HB3 ARG 43 HB1 ARG 43 0.920 -13.027 3.296 306 HG2 ARG 43 HG2 ARG 43 0.311 -10.772 2.739 307 HG3 ARG 43 HG1 ARG 43 -1.330 -11.003 3.343 308 HD2 ARG 43 HD2 ARG 43 -0.428 -9.975 5.193 309 HD3 ARG 43 HD1 ARG 43 0.009 -11.640 5.577 310 HE ARG 43 HE ARG 43 2.246 -10.953 5.386 311 HH11 ARG 43 HH21 ARG 43 1.222 -8.052 5.270 312 HH12 ARG 43 HH22 ARG 43 2.037 -7.483 3.851 313 HH21 ARG 43 HH11 ARG 43 2.867 -10.657 2.732 314 HH22 ARG 43 HH12 ARG 43 2.968 -8.957 2.416 315 H GLY 44 HN GLY 44 -2.599 -13.709 3.855 316 HA2 GLY 44 HA2 GLY 44 -4.833 -12.619 2.236 317 HA3 GLY 44 HA1 GLY 44 -5.002 -13.572 3.711 318 H GLY 45 HN GLY 45 -4.902 -12.515 5.726 319 HA2 GLY 45 HA2 GLY 45 -4.797 -10.686 7.222 320 HA3 GLY 45 HA1 GLY 45 -4.186 -9.688 5.902 321 H PHE 46 HN PHE 46 -5.560 -8.086 5.344 322 HA PHE 46 HA PHE 46 -8.450 -8.662 5.112 323 HB2 PHE 46 HB2 PHE 46 -7.612 -7.679 7.487 324 HB3 PHE 46 HB1 PHE 46 -7.760 -6.147 6.576 325 HD1 PHE 46 HD1 PHE 46 -9.891 -9.330 6.190 326 HD2 PHE 46 HD2 PHE 46 -9.912 -5.176 7.397 327 HE1 PHE 46 HE1 PHE 46 -12.322 -9.383 6.436 328 HE2 PHE 46 HE2 PHE 46 -12.342 -5.274 7.626 329 HZ PHE 46 HZ PHE 46 -13.558 -7.369 7.149 330 H TYR 47 HN TYR 47 -6.140 -7.929 3.339 331 HA TYR 47 HA TYR 47 -7.477 -5.628 2.020 332 HB2 TYR 47 HB2 TYR 47 -5.200 -5.254 3.507 333 HB3 TYR 47 HB1 TYR 47 -4.520 -5.577 1.883 334 HD1 TYR 47 HD1 TYR 47 -6.963 -3.296 3.745 335 HD2 TYR 47 HD2 TYR 47 -4.841 -3.888 0.023 336 HE1 TYR 47 HE1 TYR 47 -7.605 -1.061 2.997 337 HE2 TYR 47 HE2 TYR 47 -5.512 -1.648 -0.689 338 HH TYR 47 HH TYR 47 -7.007 0.615 1.470 339 H THR 48 HN THR 48 -7.043 -8.642 1.614 340 HA THR 48 HA THR 48 -5.490 -8.667 -0.900 341 HB THR 48 HB THR 48 -6.806 -10.782 0.802 342 HG1 THR 48 HG1 THR 48 -4.202 -10.699 -0.267 343 HG21 THR 48 HG21 THR 48 -5.960 -12.417 -0.946 344 HG22 THR 48 HG22 THR 48 -5.780 -11.039 -2.032 345 HG23 THR 48 HG23 THR 48 -7.375 -11.478 -1.420 346 H LYS 49 HN LYS 49 -8.708 -8.190 0.106 347 HA LYS 49 HA LYS 49 -9.621 -7.892 -2.610 348 HB2 LYS 49 HB2 LYS 49 -9.940 -10.155 -2.892 349 HB3 LYS 49 HB1 LYS 49 -10.183 -10.452 -1.177 350 HG2 LYS 49 HG2 LYS 49 -12.438 -10.043 -1.297 351 HG3 LYS 49 HG1 LYS 49 -12.242 -8.773 -2.507 352 HD2 LYS 49 HD2 LYS 49 -12.748 -10.223 -4.149 353 HD3 LYS 49 HD1 LYS 49 -11.420 -11.273 -3.653 354 HE2 LYS 49 HE2 LYS 49 -12.788 -12.531 -2.211 355 HE3 LYS 49 HE1 LYS 49 -14.022 -11.273 -2.136 356 HZ1 LYS 49 HZ1 LYS 49 -14.711 -13.112 -3.545 357 HZ2 LYS 49 HZ2 LYS 49 -13.347 -12.890 -4.534 358 HZ3 LYS 49 HZ3 LYS 49 -14.545 -11.689 -4.452 359 HA PRO 50 HA PRO 50 -13.255 -6.970 0.329 360 HB2 PRO 50 HB2 PRO 50 -13.043 -7.768 2.952 361 HB3 PRO 50 HB1 PRO 50 -13.786 -8.754 1.680 362 HG2 PRO 50 HG2 PRO 50 -11.083 -9.028 2.940 363 HG3 PRO 50 HG1 PRO 50 -12.146 -10.284 2.279 364 HD2 PRO 50 HD2 PRO 50 -9.916 -9.250 0.957 365 HD3 PRO 50 HD1 PRO 50 -11.272 -10.079 0.167 366 H THR 51 HN THR 51 -13.571 -5.375 2.248 367 HA THR 51 HA THR 51 -11.859 -3.219 2.139 368 HB THR 51 HB THR 51 -12.661 -2.654 4.477 369 HG1 THR 51 HG1 THR 51 -12.788 -4.919 5.082 370 HG21 THR 51 HG21 THR 51 -14.118 -1.797 2.913 371 HG22 THR 51 HG22 THR 51 -15.194 -2.962 3.685 372 HG23 THR 51 HG23 THR 51 -14.402 -3.367 2.162 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -7.261 6.711 2.934 2 H2 GLY 1 HT2 GLY 1 -6.951 8.367 2.727 3 H3 GLY 1 HT3 GLY 1 -7.955 7.841 3.992 4 HA2 GLY 1 HA1 GLY 1 -5.367 8.321 4.335 5 HA3 GLY 1 HA2 GLY 1 -6.297 7.230 5.409 6 H ILE 2 HN ILE 2 -5.609 5.970 2.354 7 HA ILE 2 HA ILE 2 -2.732 5.489 2.960 8 HB ILE 2 HB ILE 2 -4.087 3.474 2.769 9 HG12 ILE 2 HG12 ILE 2 -2.318 3.942 0.349 10 HG13 ILE 2 HG11 ILE 2 -1.782 3.379 1.933 11 HG21 ILE 2 HG21 ILE 2 -4.812 4.621 0.061 12 HG22 ILE 2 HG22 ILE 2 -5.907 4.266 1.398 13 HG23 ILE 2 HG23 ILE 2 -5.120 2.949 0.529 14 HD11 ILE 2 HD11 ILE 2 -3.459 1.459 1.632 15 HD12 ILE 2 HD12 ILE 2 -2.004 1.407 0.637 16 HD13 ILE 2 HD13 ILE 2 -3.532 1.944 -0.062 17 H VAL 3 HN VAL 3 -4.767 7.229 0.849 18 HA VAL 3 HA VAL 3 -2.687 7.340 -1.274 19 HB VAL 3 HB VAL 3 -4.356 8.428 -2.643 20 HG11 VAL 3 HG11 VAL 3 -5.438 6.494 -3.037 21 HG12 VAL 3 HG12 VAL 3 -6.247 6.552 -1.470 22 HG13 VAL 3 HG13 VAL 3 -4.632 5.856 -1.604 23 HG21 VAL 3 HG21 VAL 3 -6.562 9.035 -1.744 24 HG22 VAL 3 HG22 VAL 3 -5.292 9.861 -0.841 25 HG23 VAL 3 HG23 VAL 3 -6.087 8.447 -0.151 26 H GLU 4 HN GLU 4 -4.251 9.240 1.198 27 HA GLU 4 HA GLU 4 -3.032 11.752 0.316 28 HB2 GLU 4 HB2 GLU 4 -4.249 11.287 3.029 29 HB3 GLU 4 HB1 GLU 4 -4.247 12.759 2.055 30 HG2 GLU 4 HG2 GLU 4 -5.673 11.535 0.362 31 HG3 GLU 4 HG1 GLU 4 -5.813 10.217 1.527 32 H GLN 5 HN GLN 5 -1.871 9.057 1.919 33 HA GLN 5 HA GLN 5 0.034 10.672 3.551 34 HB2 GLN 5 HB2 GLN 5 -0.904 7.813 3.687 35 HB3 GLN 5 HB1 GLN 5 0.607 8.299 4.456 36 HG2 GLN 5 HG2 GLN 5 -1.579 10.157 5.026 37 HG3 GLN 5 HG1 GLN 5 -1.924 8.520 5.583 38 HE21 GLN 5 HE21 GLN 5 -0.037 7.470 6.877 39 HE22 GLN 5 HE22 GLN 5 0.847 8.489 7.907 40 H CYS 6 HN CYS 6 -0.136 8.247 0.972 41 HA CYS 6 HA CYS 6 2.832 8.406 0.699 42 HB2 CYS 6 HB2 CYS 6 0.853 6.446 -0.497 43 HB3 CYS 6 HB1 CYS 6 2.606 6.380 -0.693 44 H CYS 7 HN CYS 7 -0.189 9.053 -0.999 45 HA CYS 7 HA CYS 7 1.028 9.502 -3.585 46 HB2 CYS 7 HB2 CYS 7 -1.483 9.103 -2.943 47 HB3 CYS 7 HB1 CYS 7 -1.513 10.851 -2.715 48 H THR 8 HN THR 8 1.216 11.231 -0.713 49 HA THR 8 HA THR 8 1.841 13.742 -2.215 50 HB THR 8 HB THR 8 0.356 14.765 -0.854 51 HG1 THR 8 HG1 THR 8 1.071 14.972 1.375 52 HG21 THR 8 HG21 THR 8 -0.863 13.633 0.888 53 HG22 THR 8 HG22 THR 8 0.383 12.394 1.027 54 HG23 THR 8 HG23 THR 8 -0.620 12.477 -0.421 55 H SER 9 HN SER 9 3.005 11.235 -0.242 56 HA SER 9 HA SER 9 5.598 12.669 0.038 57 HB2 SER 9 HB2 SER 9 4.218 11.046 2.198 58 HB3 SER 9 HB1 SER 9 5.874 11.636 2.294 59 HG SER 9 HG SER 9 4.953 13.768 1.962 60 H ILE 10 HN ILE 10 7.020 10.567 1.205 61 HA ILE 10 HA ILE 10 6.655 8.388 -0.812 62 HB ILE 10 HB ILE 10 9.335 9.032 0.376 63 HG12 ILE 10 HG12 ILE 10 8.514 11.191 -0.441 64 HG13 ILE 10 HG11 ILE 10 9.729 10.566 -1.556 65 HG21 ILE 10 HG21 ILE 10 9.413 7.091 -0.925 66 HG22 ILE 10 HG22 ILE 10 9.862 8.330 -2.098 67 HG23 ILE 10 HG23 ILE 10 8.217 7.694 -2.071 68 HD11 ILE 10 HD11 ILE 10 7.168 9.539 -2.335 69 HD12 ILE 10 HD12 ILE 10 8.238 10.614 -3.237 70 HD13 ILE 10 HD13 ILE 10 7.036 11.287 -2.136 71 H CYS 11 HN CYS 11 5.498 7.036 0.620 72 HA CYS 11 HA CYS 11 6.407 6.472 3.311 73 HB2 CYS 11 HB2 CYS 11 4.635 4.726 1.583 74 HB3 CYS 11 HB1 CYS 11 4.694 4.783 3.343 75 H SER 12 HN SER 12 6.918 4.087 3.902 76 HA SER 12 HA SER 12 8.877 3.015 1.907 77 HB2 SER 12 HB2 SER 12 10.294 2.369 3.691 78 HB3 SER 12 HB1 SER 12 9.721 3.965 4.169 79 HG SER 12 HG SER 12 9.430 2.610 5.901 80 H LEU 13 HN LEU 13 8.989 0.661 1.766 81 HA LEU 13 HA LEU 13 6.586 -0.714 1.626 82 HB2 LEU 13 HB2 LEU 13 9.173 -1.425 1.192 83 HB3 LEU 13 HB1 LEU 13 8.831 -2.354 2.652 84 HG LEU 13 HG LEU 13 6.591 -2.939 1.339 85 HD11 LEU 13 HD11 LEU 13 6.941 -1.589 -0.611 86 HD12 LEU 13 HD12 LEU 13 7.227 -3.257 -1.109 87 HD13 LEU 13 HD13 LEU 13 8.591 -2.182 -0.805 88 HD21 LEU 13 HD21 LEU 13 8.107 -4.650 2.076 89 HD22 LEU 13 HD22 LEU 13 9.337 -4.151 0.914 90 HD23 LEU 13 HD23 LEU 13 7.853 -4.921 0.352 91 H TYR 14 HN TYR 14 8.496 -0.033 4.489 92 HA TYR 14 HA TYR 14 7.268 -1.887 6.275 93 HB2 TYR 14 HB2 TYR 14 8.902 0.544 6.482 94 HB3 TYR 14 HB1 TYR 14 7.734 0.399 7.800 95 HD1 TYR 14 HD2 TYR 14 7.586 -2.014 9.007 96 HD2 TYR 14 HD1 TYR 14 10.957 -0.816 6.587 97 HE1 TYR 14 HE2 TYR 14 8.974 -3.748 10.047 98 HE2 TYR 14 HE1 TYR 14 12.318 -2.557 7.652 99 HH TYR 14 HH TYR 14 12.417 -3.940 9.509 100 H GLN 15 HN GLN 15 6.432 1.513 5.533 101 HA GLN 15 HA GLN 15 4.043 1.527 7.133 102 HB2 GLN 15 HB2 GLN 15 4.566 3.185 4.648 103 HB3 GLN 15 HB1 GLN 15 3.501 3.587 5.995 104 HG2 GLN 15 HG2 GLN 15 6.184 3.021 6.944 105 HG3 GLN 15 HG1 GLN 15 6.207 4.297 5.726 106 HE21 GLN 15 HE21 GLN 15 6.722 4.792 8.540 107 HE22 GLN 15 HE22 GLN 15 5.473 5.781 9.123 108 H LEU 16 HN LEU 16 4.738 0.635 3.787 109 HA LEU 16 HA LEU 16 2.002 0.346 2.956 110 HB2 LEU 16 HB2 LEU 16 4.658 -0.627 1.963 111 HB3 LEU 16 HB1 LEU 16 3.200 -1.394 1.335 112 HG LEU 16 HG LEU 16 2.405 1.120 1.049 113 HD11 LEU 16 HD11 LEU 16 5.337 1.263 1.502 114 HD12 LEU 16 HD12 LEU 16 4.095 2.485 1.774 115 HD13 LEU 16 HD13 LEU 16 4.716 2.206 0.148 116 HD21 LEU 16 HD21 LEU 16 4.464 0.036 -0.881 117 HD22 LEU 16 HD22 LEU 16 3.006 0.959 -1.245 118 HD23 LEU 16 HD23 LEU 16 2.877 -0.712 -0.699 119 H GLU 17 HN GLU 17 4.282 -1.763 4.622 120 HA GLU 17 HA GLU 17 2.835 -4.198 4.409 121 HB2 GLU 17 HB2 GLU 17 4.927 -3.077 6.177 122 HB3 GLU 17 HB1 GLU 17 3.947 -4.349 6.899 123 HG2 GLU 17 HG2 GLU 17 4.525 -5.216 4.275 124 HG3 GLU 17 HG1 GLU 17 6.038 -4.587 4.926 125 H ASN 18 HN ASN 18 2.298 -1.309 6.279 126 HA ASN 18 HA ASN 18 0.475 -2.528 8.188 127 HB2 ASN 18 HB2 ASN 18 1.781 -0.129 8.083 128 HB3 ASN 18 HB1 ASN 18 0.153 0.351 7.600 129 HD21 ASN 18 HD21 ASN 18 2.116 -0.411 10.308 130 HD22 ASN 18 HD22 ASN 18 0.878 -0.531 11.463 131 H TYR 19 HN TYR 19 0.142 -0.947 5.021 132 HA TYR 19 HA TYR 19 -2.691 -0.624 5.065 133 HB2 TYR 19 HB2 TYR 19 -1.175 -1.463 2.578 134 HB3 TYR 19 HB1 TYR 19 -2.612 -0.411 2.702 135 HD1 TYR 19 HD2 TYR 19 -1.038 0.896 5.450 136 HD2 TYR 19 HD1 TYR 19 -0.157 0.644 1.223 137 HE1 TYR 19 HE2 TYR 19 0.411 2.856 5.599 138 HE2 TYR 19 HE1 TYR 19 1.278 2.604 1.418 139 HH TYR 19 HH TYR 19 1.782 4.219 4.550 140 H CYS 20 HN CYS 20 -0.721 -3.447 4.900 141 HA CYS 20 HA CYS 20 -2.900 -5.126 3.823 142 HB2 CYS 20 HB2 CYS 20 -0.002 -5.458 4.381 143 HB3 CYS 20 HB1 CYS 20 -0.998 -6.899 4.588 144 H ASN 21 HN ASN 21 -3.883 -4.019 6.055 145 HA ASN 21 HA ASN 21 -3.297 -5.717 8.392 146 HB2 ASN 21 HB2 ASN 21 -3.784 -3.305 8.692 147 HB3 ASN 21 HB1 ASN 21 -5.390 -3.553 8.007 148 HD21 ASN 21 HD21 ASN 21 -3.942 -3.174 10.934 149 HD22 ASN 21 HD22 ASN 21 -4.962 -4.127 11.900 150 H1 PHE 22 HT1 PHE 22 6.175 -0.393 -2.013 151 H2 PHE 22 HT2 PHE 22 6.715 -0.480 -3.621 152 H3 PHE 22 HT3 PHE 22 6.312 1.022 -2.938 153 HA PHE 22 HA PHE 22 8.290 -0.328 -1.393 154 HB2 PHE 22 HB2 PHE 22 8.524 -0.498 -4.262 155 HB3 PHE 22 HB1 PHE 22 9.784 0.563 -3.629 156 HD1 PHE 22 HD2 PHE 22 11.411 -0.258 -1.966 157 HD2 PHE 22 HD1 PHE 22 8.461 -2.858 -3.700 158 HE1 PHE 22 HE2 PHE 22 12.669 -2.232 -1.146 159 HE2 PHE 22 HE1 PHE 22 9.719 -4.833 -2.880 160 HZ PHE 22 HZ PHE 22 11.824 -4.520 -1.602 161 H VAL 23 HN VAL 23 10.122 1.324 -1.084 162 HA VAL 23 HA VAL 23 8.889 3.968 -0.784 163 HB VAL 23 HB VAL 23 10.529 2.715 0.840 164 HG11 VAL 23 HG11 VAL 23 12.490 4.220 -0.901 165 HG12 VAL 23 HG12 VAL 23 12.338 2.466 -0.840 166 HG13 VAL 23 HG13 VAL 23 12.864 3.356 0.588 167 HG21 VAL 23 HG21 VAL 23 9.759 5.399 0.461 168 HG22 VAL 23 HG22 VAL 23 11.481 5.431 0.841 169 HG23 VAL 23 HG23 VAL 23 10.349 4.657 1.949 170 H ASN 24 HN ASN 24 11.006 5.669 -1.167 171 HA ASN 24 HA ASN 24 11.830 7.020 -2.915 172 HB2 ASN 24 HB2 ASN 24 13.311 4.741 -2.730 173 HB3 ASN 24 HB1 ASN 24 12.786 4.648 -4.412 174 HD21 ASN 24 HD21 ASN 24 14.604 5.389 -5.573 175 HD22 ASN 24 HD22 ASN 24 15.381 6.869 -5.280 176 H GLN 25 HN GLN 25 9.092 6.237 -3.247 177 HA GLN 25 HA GLN 25 8.864 6.635 -6.139 178 HB2 GLN 25 HB2 GLN 25 8.707 3.991 -5.057 179 HB3 GLN 25 HB1 GLN 25 7.095 4.464 -5.596 180 HG2 GLN 25 HG2 GLN 25 7.711 4.134 -7.732 181 HG3 GLN 25 HG1 GLN 25 8.968 5.359 -7.556 182 HE21 GLN 25 HE21 GLN 25 8.425 1.914 -6.592 183 HE22 GLN 25 HE22 GLN 25 10.017 1.425 -6.920 184 H HIS 26 HN HIS 26 6.463 6.817 -6.741 185 HA HIS 26 HA HIS 26 4.873 7.807 -4.400 186 HB2 HIS 26 HB2 HIS 26 5.927 9.375 -6.440 187 HB3 HIS 26 HB1 HIS 26 4.279 9.065 -6.987 188 HD2 HIS 26 HD2 HIS 26 2.806 11.217 -6.115 189 HE1 HIS 26 HE1 HIS 26 4.544 11.563 -2.274 190 HE2 HIS 26 HE2 HIS 26 2.767 12.498 -3.849 191 H LEU 27 HN LEU 27 2.390 7.884 -5.148 192 HA LEU 27 HA LEU 27 1.753 6.006 -7.298 193 HB2 LEU 27 HB2 LEU 27 0.452 4.588 -5.427 194 HB3 LEU 27 HB1 LEU 27 2.099 4.212 -5.924 195 HG LEU 27 HG LEU 27 2.916 5.710 -4.072 196 HD11 LEU 27 HD11 LEU 27 0.129 6.337 -3.961 197 HD12 LEU 27 HD12 LEU 27 1.436 7.012 -2.987 198 HD13 LEU 27 HD13 LEU 27 0.575 5.575 -2.435 199 HD21 LEU 27 HD21 LEU 27 1.431 3.158 -3.757 200 HD22 LEU 27 HD22 LEU 27 1.841 4.013 -2.270 201 HD23 LEU 27 HD23 LEU 27 3.115 3.534 -3.391 202 H CYS 28 HN CYS 28 -0.754 5.229 -6.591 203 HA CYS 28 HA CYS 28 -2.700 6.615 -5.423 204 HB2 CYS 28 HB2 CYS 28 -1.468 8.475 -7.311 205 HB3 CYS 28 HB1 CYS 28 -3.184 8.249 -7.627 206 H GLY 29 HN GLY 29 -4.811 6.260 -6.343 207 HA2 GLY 29 HA2 GLY 29 -6.279 4.789 -7.449 208 HA3 GLY 29 HA1 GLY 29 -5.500 5.434 -8.893 209 H SER 30 HN SER 30 -4.619 3.915 -10.171 210 HA SER 30 HA SER 30 -4.457 1.163 -9.479 211 HB2 SER 30 HB2 SER 30 -3.662 2.865 -11.742 212 HB3 SER 30 HB1 SER 30 -2.644 1.443 -11.536 213 HG SER 30 HG SER 30 -4.394 0.153 -11.766 214 H ASP 31 HN ASP 31 -1.731 3.461 -9.958 215 HA ASP 31 HA ASP 31 0.397 1.867 -9.231 216 HB2 ASP 31 HB2 ASP 31 0.083 4.645 -8.082 217 HB3 ASP 31 HB1 ASP 31 1.573 3.826 -8.539 218 H LEU 32 HN LEU 32 -2.089 3.137 -7.080 219 HA LEU 32 HA LEU 32 -0.713 2.414 -4.640 220 HB2 LEU 32 HB2 LEU 32 -3.024 3.823 -5.251 221 HB3 LEU 32 HB1 LEU 32 -3.644 2.347 -4.510 222 HG LEU 32 HG LEU 32 -1.843 2.763 -2.687 223 HD11 LEU 32 HD11 LEU 32 -1.242 5.134 -2.401 224 HD12 LEU 32 HD12 LEU 32 -2.090 5.535 -3.895 225 HD13 LEU 32 HD13 LEU 32 -0.647 4.525 -3.943 226 HD21 LEU 32 HD21 LEU 32 -4.236 4.605 -2.995 227 HD22 LEU 32 HD22 LEU 32 -3.386 4.299 -1.480 228 HD23 LEU 32 HD23 LEU 32 -4.255 2.992 -2.284 229 H VAL 33 HN VAL 33 -3.681 0.927 -6.008 230 HA VAL 33 HA VAL 33 -3.517 -1.481 -4.560 231 HB VAL 33 HB VAL 33 -4.861 -2.487 -6.378 232 HG11 VAL 33 HG11 VAL 33 -5.989 0.228 -6.400 233 HG12 VAL 33 HG12 VAL 33 -5.551 -0.351 -4.792 234 HG13 VAL 33 HG13 VAL 33 -6.680 -1.274 -5.785 235 HG21 VAL 33 HG21 VAL 33 -3.543 -1.473 -8.246 236 HG22 VAL 33 HG22 VAL 33 -4.269 0.089 -7.871 237 HG23 VAL 33 HG23 VAL 33 -5.280 -1.240 -8.438 238 H GLU 34 HN GLU 34 -1.856 -0.494 -7.517 239 HA GLU 34 HA GLU 34 -0.712 -3.082 -8.076 240 HB2 GLU 34 HB2 GLU 34 -0.424 -0.318 -9.072 241 HB3 GLU 34 HB1 GLU 34 1.040 -1.293 -9.189 242 HG2 GLU 34 HG2 GLU 34 -0.455 -3.117 -10.213 243 HG3 GLU 34 HG1 GLU 34 -1.674 -1.854 -10.389 244 H ALA 35 HN ALA 35 0.661 -0.120 -6.577 245 HA ALA 35 HA ALA 35 3.131 -1.361 -5.820 246 HB1 ALA 35 HB1 ALA 35 2.816 1.096 -5.832 247 HB2 ALA 35 HB2 ALA 35 3.364 0.537 -4.252 248 HB3 ALA 35 HB3 ALA 35 1.668 0.952 -4.501 249 H LEU 36 HN LEU 36 0.038 -0.925 -4.145 250 HA LEU 36 HA LEU 36 0.767 -2.090 -1.649 251 HB2 LEU 36 HB2 LEU 36 -1.801 -1.702 -3.160 252 HB3 LEU 36 HB1 LEU 36 -1.805 -2.741 -1.737 253 HG LEU 36 HG LEU 36 -2.315 -0.196 -1.444 254 HD11 LEU 36 HD11 LEU 36 -1.732 -0.439 0.773 255 HD12 LEU 36 HD12 LEU 36 -0.152 -1.126 0.393 256 HD13 LEU 36 HD13 LEU 36 -1.604 -2.118 0.249 257 HD21 LEU 36 HD21 LEU 36 0.722 -0.190 -1.553 258 HD22 LEU 36 HD22 LEU 36 -0.290 1.163 -1.047 259 HD23 LEU 36 HD23 LEU 36 -0.342 0.599 -2.718 260 H TYR 37 HN TYR 37 -0.107 -3.444 -4.739 261 HA TYR 37 HA TYR 37 -0.471 -6.160 -3.758 262 HB2 TYR 37 HB2 TYR 37 -1.642 -5.548 -5.760 263 HB3 TYR 37 HB1 TYR 37 -0.159 -4.962 -6.522 264 HD1 TYR 37 HD1 TYR 37 -0.923 -8.192 -4.607 265 HD2 TYR 37 HD2 TYR 37 0.464 -6.486 -8.326 266 HE1 TYR 37 HE1 TYR 37 -0.451 -10.435 -5.484 267 HE2 TYR 37 HE2 TYR 37 0.929 -8.743 -9.169 268 HH TYR 37 HH TYR 37 -0.169 -11.579 -7.574 269 H LEU 38 HN LEU 38 2.247 -4.217 -4.460 270 HA LEU 38 HA LEU 38 3.981 -6.517 -5.112 271 HB2 LEU 38 HB2 LEU 38 5.208 -3.901 -4.427 272 HB3 LEU 38 HB1 LEU 38 5.574 -4.999 -5.756 273 HG LEU 38 HG LEU 38 3.168 -3.171 -5.587 274 HD11 LEU 38 HD11 LEU 38 5.699 -3.086 -7.248 275 HD12 LEU 38 HD12 LEU 38 5.197 -1.915 -6.029 276 HD13 LEU 38 HD13 LEU 38 4.293 -2.060 -7.537 277 HD21 LEU 38 HD21 LEU 38 2.690 -5.269 -6.788 278 HD22 LEU 38 HD22 LEU 38 4.119 -5.019 -7.791 279 HD23 LEU 38 HD23 LEU 38 2.754 -3.907 -7.906 280 H VAL 39 HN VAL 39 3.798 -4.022 -2.562 281 HA VAL 39 HA VAL 39 5.714 -5.140 -0.818 282 HB VAL 39 HB VAL 39 4.795 -3.746 0.858 283 HG11 VAL 39 HG11 VAL 39 4.718 -1.716 -0.225 284 HG12 VAL 39 HG12 VAL 39 3.576 -2.290 -1.440 285 HG13 VAL 39 HG13 VAL 39 5.284 -2.711 -1.567 286 HG21 VAL 39 HG21 VAL 39 2.449 -3.038 0.902 287 HG22 VAL 39 HG22 VAL 39 2.534 -4.797 0.830 288 HG23 VAL 39 HG23 VAL 39 2.148 -3.872 -0.622 289 H CYS 40 HN CYS 40 2.445 -6.118 -1.545 290 HA CYS 40 HA CYS 40 2.698 -8.298 0.489 291 HB2 CYS 40 HB2 CYS 40 0.280 -6.780 -0.498 292 HB3 CYS 40 HB1 CYS 40 0.134 -8.340 0.311 293 H GLY 41 HN GLY 41 3.730 -8.378 -2.237 294 HA2 GLY 41 HA2 GLY 41 1.844 -9.903 -3.857 295 HA3 GLY 41 HA1 GLY 41 3.549 -9.643 -4.225 296 H GLU 42 HN GLU 42 1.879 -11.179 -1.460 297 HA GLU 42 HA GLU 42 2.693 -13.840 -2.151 298 HB2 GLU 42 HB2 GLU 42 4.534 -14.217 -0.699 299 HB3 GLU 42 HB1 GLU 42 4.911 -12.698 -1.511 300 HG2 GLU 42 HG2 GLU 42 3.881 -11.490 0.451 301 HG3 GLU 42 HG1 GLU 42 3.768 -13.047 1.272 302 H ARG 43 HN ARG 43 1.801 -11.550 0.352 303 HA ARG 43 HA ARG 43 0.548 -13.691 1.969 304 HB2 ARG 43 HB2 ARG 43 1.702 -12.034 3.268 305 HB3 ARG 43 HB1 ARG 43 0.917 -10.716 2.398 306 HG2 ARG 43 HG2 ARG 43 -1.092 -10.988 3.511 307 HG3 ARG 43 HG1 ARG 43 -0.823 -12.708 3.790 308 HD2 ARG 43 HD2 ARG 43 1.039 -12.046 5.387 309 HD3 ARG 43 HD1 ARG 43 0.463 -10.385 5.242 310 HE ARG 43 HE ARG 43 -1.679 -11.138 6.242 311 HH11 ARG 43 HH21 ARG 43 -1.442 -14.066 5.739 312 HH12 ARG 43 HH22 ARG 43 -0.978 -14.674 7.293 313 HH21 ARG 43 HH11 ARG 43 -0.011 -11.573 8.509 314 HH22 ARG 43 HH12 ARG 43 -0.168 -13.261 8.863 315 H GLY 44 HN GLY 44 -1.736 -13.642 2.457 316 HA2 GLY 44 HA2 GLY 44 -3.448 -13.198 0.263 317 HA3 GLY 44 HA1 GLY 44 -4.005 -13.337 1.931 318 H GLY 45 HN GLY 45 -4.801 -11.514 2.900 319 HA2 GLY 45 HA2 GLY 45 -5.232 -9.226 3.274 320 HA3 GLY 45 HA1 GLY 45 -3.918 -8.843 2.160 321 H PHE 46 HN PHE 46 -6.753 -7.791 2.361 322 HA PHE 46 HA PHE 46 -7.483 -8.313 -0.486 323 HB2 PHE 46 HB2 PHE 46 -8.980 -8.959 1.824 324 HB3 PHE 46 HB1 PHE 46 -9.787 -7.549 1.077 325 HD1 PHE 46 HD1 PHE 46 -8.352 -11.001 0.139 326 HD2 PHE 46 HD2 PHE 46 -11.157 -7.903 -0.980 327 HE1 PHE 46 HE1 PHE 46 -9.251 -12.419 -1.636 328 HE2 PHE 46 HE2 PHE 46 -12.029 -9.358 -2.738 329 HZ PHE 46 HZ PHE 46 -11.085 -11.613 -3.079 330 H TYR 47 HN TYR 47 -9.677 -6.410 -0.404 331 HA TYR 47 HA TYR 47 -8.632 -3.856 0.532 332 HB2 TYR 47 HB2 TYR 47 -7.458 -4.644 -1.763 333 HB3 TYR 47 HB1 TYR 47 -8.950 -3.929 -2.444 334 HD1 TYR 47 HD2 TYR 47 -8.973 -1.997 0.362 335 HD2 TYR 47 HD1 TYR 47 -6.259 -2.534 -2.965 336 HE1 TYR 47 HE2 TYR 47 -8.060 0.244 0.705 337 HE2 TYR 47 HE1 TYR 47 -5.379 -0.288 -2.586 338 HH TYR 47 HH TYR 47 -5.979 1.774 -1.572 339 H THR 48 HN THR 48 -11.072 -5.148 0.999 340 HA THR 48 HA THR 48 -12.931 -3.115 0.039 341 HB THR 48 HB THR 48 -14.203 -5.613 -0.573 342 HG1 THR 48 HG1 THR 48 -12.270 -5.285 -2.470 343 HG21 THR 48 HG21 THR 48 -13.514 -3.051 -1.969 344 HG22 THR 48 HG22 THR 48 -15.099 -3.734 -1.605 345 HG23 THR 48 HG23 THR 48 -14.130 -4.404 -2.918 346 H LYS 49 HN LYS 49 -13.449 -6.460 1.043 347 HA LYS 49 HA LYS 49 -13.928 -5.839 3.813 348 HB2 LYS 49 HB2 LYS 49 -15.932 -4.796 2.531 349 HB3 LYS 49 HB1 LYS 49 -16.459 -6.464 2.301 350 HG2 LYS 49 HG2 LYS 49 -17.240 -6.554 4.407 351 HG3 LYS 49 HG1 LYS 49 -15.666 -6.075 5.044 352 HD2 LYS 49 HD2 LYS 49 -16.227 -3.836 5.136 353 HD3 LYS 49 HD1 LYS 49 -17.368 -3.960 3.796 354 HE2 LYS 49 HE2 LYS 49 -18.112 -5.562 6.152 355 HE3 LYS 49 HE1 LYS 49 -18.089 -3.823 6.442 356 HZ1 LYS 49 HZ1 LYS 49 -19.636 -3.448 4.755 357 HZ2 LYS 49 HZ2 LYS 49 -20.228 -4.825 5.557 358 HZ3 LYS 49 HZ3 LYS 49 -19.418 -4.986 4.072 359 HA PRO 50 HA PRO 50 -13.272 -10.246 3.094 360 HB2 PRO 50 HB2 PRO 50 -12.071 -10.667 5.532 361 HB3 PRO 50 HB1 PRO 50 -11.210 -10.082 4.098 362 HG2 PRO 50 HG2 PRO 50 -12.085 -8.565 6.515 363 HG3 PRO 50 HG1 PRO 50 -10.728 -8.248 5.421 364 HD2 PRO 50 HD2 PRO 50 -13.196 -6.888 5.399 365 HD3 PRO 50 HD1 PRO 50 -11.990 -6.866 4.096 366 H THR 51 HN THR 51 -14.204 -12.154 4.134 367 HA THR 51 HA THR 51 -15.970 -13.262 5.212 368 HB THR 51 HB THR 51 -15.361 -11.162 7.315 369 HG1 THR 51 HG1 THR 51 -14.425 -13.346 8.126 370 HG21 THR 51 HG21 THR 51 -16.385 -12.897 8.845 371 HG22 THR 51 HG22 THR 51 -16.956 -13.732 7.400 372 HG23 THR 51 HG23 THR 51 -17.529 -12.105 7.762 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -2.115 7.982 9.568 2 H2 GLY 1 HT2 GLY 1 -3.013 6.657 10.137 3 H3 GLY 1 HT3 GLY 1 -3.770 8.158 9.901 4 HA2 GLY 1 HA1 GLY 1 -3.576 6.165 8.032 5 HA3 GLY 1 HA2 GLY 1 -4.256 7.798 7.759 6 H ILE 2 HN ILE 2 -3.517 6.008 5.832 7 HA ILE 2 HA ILE 2 -0.555 5.850 5.551 8 HB ILE 2 HB ILE 2 -2.671 4.510 3.848 9 HG12 ILE 2 HG12 ILE 2 -1.250 3.599 6.364 10 HG13 ILE 2 HG11 ILE 2 -2.988 3.668 6.069 11 HG21 ILE 2 HG21 ILE 2 -0.247 4.840 3.033 12 HG22 ILE 2 HG22 ILE 2 -0.885 3.196 3.002 13 HG23 ILE 2 HG23 ILE 2 0.204 3.695 4.297 14 HD11 ILE 2 HD11 ILE 2 -1.024 1.615 5.266 15 HD12 ILE 2 HD12 ILE 2 -2.177 2.068 4.011 16 HD13 ILE 2 HD13 ILE 2 -2.755 1.462 5.563 17 H VAL 3 HN VAL 3 -3.474 6.824 3.738 18 HA VAL 3 HA VAL 3 -2.279 7.765 1.399 19 HB VAL 3 HB VAL 3 -4.208 9.132 1.078 20 HG11 VAL 3 HG11 VAL 3 -5.597 7.304 2.904 21 HG12 VAL 3 HG12 VAL 3 -4.405 6.491 1.891 22 HG13 VAL 3 HG13 VAL 3 -5.702 7.429 1.149 23 HG21 VAL 3 HG21 VAL 3 -4.217 9.212 4.090 24 HG22 VAL 3 HG22 VAL 3 -5.702 9.530 3.192 25 HG23 VAL 3 HG23 VAL 3 -4.287 10.554 2.947 26 H GLU 4 HN GLU 4 -2.376 9.280 4.560 27 HA GLU 4 HA GLU 4 -1.238 11.796 3.631 28 HB2 GLU 4 HB2 GLU 4 -1.043 10.916 6.488 29 HB3 GLU 4 HB1 GLU 4 -1.424 12.510 5.832 30 HG2 GLU 4 HG2 GLU 4 -3.544 11.184 4.876 31 HG3 GLU 4 HG1 GLU 4 -3.216 10.163 6.277 32 H GLN 5 HN GLN 5 0.052 8.723 4.109 33 HA GLN 5 HA GLN 5 2.740 9.828 4.784 34 HB2 GLN 5 HB2 GLN 5 1.380 7.588 5.747 35 HB3 GLN 5 HB1 GLN 5 2.569 6.924 4.625 36 HG2 GLN 5 HG2 GLN 5 4.091 8.776 5.908 37 HG3 GLN 5 HG1 GLN 5 2.983 8.322 7.203 38 HE21 GLN 5 HE21 GLN 5 4.866 7.237 8.276 39 HE22 GLN 5 HE22 GLN 5 5.366 5.707 7.736 40 H CYS 6 HN CYS 6 1.052 7.757 2.427 41 HA CYS 6 HA CYS 6 3.513 7.747 0.757 42 HB2 CYS 6 HB2 CYS 6 0.916 6.225 0.417 43 HB3 CYS 6 HB1 CYS 6 2.373 6.011 -0.554 44 H CYS 7 HN CYS 7 0.139 8.860 0.700 45 HA CYS 7 HA CYS 7 0.244 9.690 -2.074 46 HB2 CYS 7 HB2 CYS 7 -1.847 9.319 -0.562 47 HB3 CYS 7 HB1 CYS 7 -1.551 10.973 -0.028 48 H THR 8 HN THR 8 0.795 11.341 1.034 49 HA THR 8 HA THR 8 1.287 13.915 -0.252 50 HB THR 8 HB THR 8 2.053 14.605 2.021 51 HG1 THR 8 HG1 THR 8 2.019 13.089 3.654 52 HG21 THR 8 HG21 THR 8 -0.355 14.639 1.406 53 HG22 THR 8 HG22 THR 8 -0.111 14.331 3.125 54 HG23 THR 8 HG23 THR 8 -0.518 13.002 2.040 55 H SER 9 HN SER 9 3.204 11.173 0.825 56 HA SER 9 HA SER 9 5.624 12.530 -0.296 57 HB2 SER 9 HB2 SER 9 6.926 11.808 1.471 58 HB3 SER 9 HB1 SER 9 5.387 11.974 2.313 59 HG SER 9 HG SER 9 5.048 9.707 1.697 60 H ILE 10 HN ILE 10 7.148 10.018 0.122 61 HA ILE 10 HA ILE 10 5.795 8.238 -1.856 62 HB ILE 10 HB ILE 10 8.761 8.719 -1.992 63 HG12 ILE 10 HG12 ILE 10 7.585 10.943 -2.101 64 HG13 ILE 10 HG11 ILE 10 8.418 10.513 -3.596 65 HG21 ILE 10 HG21 ILE 10 8.116 8.261 -4.469 66 HG22 ILE 10 HG22 ILE 10 6.579 7.706 -3.807 67 HG23 ILE 10 HG23 ILE 10 8.081 6.908 -3.337 68 HD11 ILE 10 HD11 ILE 10 5.607 9.589 -3.376 69 HD12 ILE 10 HD12 ILE 10 6.470 10.251 -4.764 70 HD13 ILE 10 HD13 ILE 10 5.833 11.331 -3.524 71 H CYS 11 HN CYS 11 5.523 6.356 -0.747 72 HA CYS 11 HA CYS 11 7.419 5.605 1.378 73 HB2 CYS 11 HB2 CYS 11 5.005 4.094 0.337 74 HB3 CYS 11 HB1 CYS 11 5.867 3.789 1.844 75 H SER 12 HN SER 12 8.142 3.220 1.377 76 HA SER 12 HA SER 12 9.241 2.610 -1.325 77 HB2 SER 12 HB2 SER 12 10.977 1.384 -0.179 78 HB3 SER 12 HB1 SER 12 10.803 2.931 0.643 79 HG SER 12 HG SER 12 9.923 0.367 1.427 80 H LEU 13 HN LEU 13 8.817 0.618 -2.295 81 HA LEU 13 HA LEU 13 6.465 -0.764 -1.879 82 HB2 LEU 13 HB2 LEU 13 8.286 -1.093 -3.709 83 HB3 LEU 13 HB1 LEU 13 8.950 -2.302 -2.609 84 HG LEU 13 HG LEU 13 6.066 -2.588 -2.877 85 HD11 LEU 13 HD11 LEU 13 6.327 -1.720 -5.111 86 HD12 LEU 13 HD12 LEU 13 6.208 -3.475 -5.246 87 HD13 LEU 13 HD13 LEU 13 7.780 -2.685 -5.374 88 HD21 LEU 13 HD21 LEU 13 6.772 -4.921 -3.437 89 HD22 LEU 13 HD22 LEU 13 7.537 -4.317 -1.967 90 HD23 LEU 13 HD23 LEU 13 8.448 -4.373 -3.476 91 H TYR 14 HN TYR 14 9.462 -1.135 -0.073 92 HA TYR 14 HA TYR 14 8.809 -3.580 1.260 93 HB2 TYR 14 HB2 TYR 14 10.467 -1.230 2.242 94 HB3 TYR 14 HB1 TYR 14 10.448 -2.838 2.976 95 HD1 TYR 14 HD2 TYR 14 10.479 -4.749 0.723 96 HD2 TYR 14 HD1 TYR 14 12.556 -0.971 0.985 97 HE1 TYR 14 HE2 TYR 14 12.132 -5.520 -0.916 98 HE2 TYR 14 HE1 TYR 14 14.193 -1.775 -0.654 99 HH TYR 14 HH TYR 14 14.926 -4.529 -1.333 100 H GLN 15 HN GLN 15 8.359 -0.183 2.305 101 HA GLN 15 HA GLN 15 7.013 -0.764 4.736 102 HB2 GLN 15 HB2 GLN 15 6.363 1.592 2.952 103 HB3 GLN 15 HB1 GLN 15 6.281 1.511 4.712 104 HG2 GLN 15 HG2 GLN 15 8.936 0.807 3.795 105 HG3 GLN 15 HG1 GLN 15 8.464 2.386 3.164 106 HE21 GLN 15 HE21 GLN 15 7.407 3.878 4.937 107 HE22 GLN 15 HE22 GLN 15 8.127 3.834 6.473 108 H LEU 16 HN LEU 16 5.809 -0.505 1.414 109 HA LEU 16 HA LEU 16 3.016 -0.685 2.061 110 HB2 LEU 16 HB2 LEU 16 4.650 -1.276 -0.405 111 HB3 LEU 16 HB1 LEU 16 2.931 -1.668 -0.358 112 HG LEU 16 HG LEU 16 2.660 0.793 0.498 113 HD11 LEU 16 HD11 LEU 16 4.721 1.744 0.770 114 HD12 LEU 16 HD12 LEU 16 4.591 2.031 -0.965 115 HD13 LEU 16 HD13 LEU 16 5.491 0.637 -0.367 116 HD21 LEU 16 HD21 LEU 16 2.088 -0.317 -1.805 117 HD22 LEU 16 HD22 LEU 16 3.512 0.549 -2.381 118 HD23 LEU 16 HD23 LEU 16 2.152 1.443 -1.702 119 H GLU 17 HN GLU 17 5.522 -3.115 1.432 120 HA GLU 17 HA GLU 17 3.844 -5.398 1.375 121 HB2 GLU 17 HB2 GLU 17 6.716 -4.864 2.009 122 HB3 GLU 17 HB1 GLU 17 6.049 -6.426 2.470 123 HG2 GLU 17 HG2 GLU 17 5.125 -5.840 -0.162 124 HG3 GLU 17 HG1 GLU 17 6.865 -5.554 -0.129 125 H ASN 18 HN ASN 18 4.913 -3.353 3.992 126 HA ASN 18 HA ASN 18 4.246 -5.232 6.114 127 HB2 ASN 18 HB2 ASN 18 4.839 -2.275 6.007 128 HB3 ASN 18 HB1 ASN 18 4.260 -3.028 7.494 129 HD21 ASN 18 HD21 ASN 18 6.345 -2.708 8.565 130 HD22 ASN 18 HD22 ASN 18 7.700 -3.639 8.146 131 H TYR 19 HN TYR 19 2.565 -2.704 4.319 132 HA TYR 19 HA TYR 19 0.293 -2.398 5.989 133 HB2 TYR 19 HB2 TYR 19 0.301 -2.415 2.945 134 HB3 TYR 19 HB1 TYR 19 -0.876 -1.594 4.014 135 HD1 TYR 19 HD2 TYR 19 2.021 -1.149 5.911 136 HD2 TYR 19 HD1 TYR 19 0.498 0.246 2.112 137 HE1 TYR 19 HE2 TYR 19 3.472 0.813 6.012 138 HE2 TYR 19 HE1 TYR 19 1.961 2.191 2.254 139 HH TYR 19 HH TYR 19 3.160 3.479 3.848 140 H CYS 20 HN CYS 20 1.314 -5.071 4.044 141 HA CYS 20 HA CYS 20 -1.376 -6.281 3.970 142 HB2 CYS 20 HB2 CYS 20 1.342 -7.290 3.080 143 HB3 CYS 20 HB1 CYS 20 -0.155 -8.205 2.904 144 H ASN 21 HN ASN 21 -0.761 -5.825 6.581 145 HA ASN 21 HA ASN 21 0.072 -8.515 7.595 146 HB2 ASN 21 HB2 ASN 21 1.630 -6.809 8.347 147 HB3 ASN 21 HB1 ASN 21 0.303 -5.791 8.908 148 HD21 ASN 21 HD21 ASN 21 1.103 -9.292 9.333 149 HD22 ASN 21 HD22 ASN 21 0.930 -9.273 11.021 150 H1 PHE 22 HT1 PHE 22 13.044 -0.093 -8.729 151 H2 PHE 22 HT2 PHE 22 12.423 1.157 -7.760 152 H3 PHE 22 HT3 PHE 22 12.159 1.168 -9.438 153 HA PHE 22 HA PHE 22 10.514 -0.356 -9.354 154 HB2 PHE 22 HB2 PHE 22 12.227 -1.954 -8.197 155 HB3 PHE 22 HB1 PHE 22 11.429 -1.452 -6.707 156 HD1 PHE 22 HD1 PHE 22 10.441 -2.478 -10.188 157 HD2 PHE 22 HD2 PHE 22 9.687 -2.801 -5.969 158 HE1 PHE 22 HE1 PHE 22 8.588 -4.067 -10.640 159 HE2 PHE 22 HE2 PHE 22 7.835 -4.391 -6.422 160 HZ PHE 22 HZ PHE 22 7.286 -5.023 -8.757 161 H VAL 23 HN VAL 23 10.706 2.302 -8.191 162 HA VAL 23 HA VAL 23 8.203 2.239 -6.709 163 HB VAL 23 HB VAL 23 10.223 1.737 -5.104 164 HG11 VAL 23 HG11 VAL 23 11.617 3.431 -4.570 165 HG12 VAL 23 HG12 VAL 23 10.327 4.634 -4.626 166 HG13 VAL 23 HG13 VAL 23 11.114 4.112 -6.116 167 HG21 VAL 23 HG21 VAL 23 8.391 1.939 -3.810 168 HG22 VAL 23 HG22 VAL 23 7.720 3.211 -4.831 169 HG23 VAL 23 HG23 VAL 23 8.883 3.615 -3.567 170 H ASN 24 HN ASN 24 8.666 4.812 -5.499 171 HA ASN 24 HA ASN 24 8.812 7.117 -6.036 172 HB2 ASN 24 HB2 ASN 24 9.369 6.439 -8.914 173 HB3 ASN 24 HB1 ASN 24 9.883 7.848 -7.986 174 HD21 ASN 24 HD21 ASN 24 11.212 5.239 -9.399 175 HD22 ASN 24 HD22 ASN 24 12.461 4.886 -8.304 176 H GLN 25 HN GLN 25 6.397 6.047 -5.805 177 HA GLN 25 HA GLN 25 4.910 7.104 -8.174 178 HB2 GLN 25 HB2 GLN 25 4.711 4.489 -6.819 179 HB3 GLN 25 HB1 GLN 25 3.164 5.299 -7.075 180 HG2 GLN 25 HG2 GLN 25 3.214 4.767 -9.257 181 HG3 GLN 25 HG1 GLN 25 4.765 5.586 -9.441 182 HE21 GLN 25 HE21 GLN 25 3.511 2.489 -8.056 183 HE22 GLN 25 HE22 GLN 25 4.806 1.548 -8.619 184 H HIS 26 HN HIS 26 2.627 7.750 -7.554 185 HA HIS 26 HA HIS 26 2.530 8.752 -4.729 186 HB2 HIS 26 HB2 HIS 26 2.741 10.304 -7.043 187 HB3 HIS 26 HB1 HIS 26 1.013 10.318 -6.689 188 HD2 HIS 26 HD2 HIS 26 0.946 12.882 -5.537 189 HE1 HIS 26 HE1 HIS 26 3.801 12.099 -2.515 190 HE2 HIS 26 HE2 HIS 26 2.133 13.810 -3.415 191 H LEU 27 HN LEU 27 0.362 8.569 -3.777 192 HA LEU 27 HA LEU 27 -1.819 7.648 -5.509 193 HB2 LEU 27 HB2 LEU 27 -1.867 5.573 -3.699 194 HB3 LEU 27 HB1 LEU 27 -1.311 5.467 -5.365 195 HG LEU 27 HG LEU 27 0.986 5.808 -4.695 196 HD11 LEU 27 HD11 LEU 27 1.636 6.771 -2.744 197 HD12 LEU 27 HD12 LEU 27 0.529 5.782 -1.793 198 HD13 LEU 27 HD13 LEU 27 -0.050 7.245 -2.575 199 HD21 LEU 27 HD21 LEU 27 0.809 3.578 -4.350 200 HD22 LEU 27 HD22 LEU 27 -0.695 3.753 -3.444 201 HD23 LEU 27 HD23 LEU 27 0.855 3.992 -2.636 202 H CYS 28 HN CYS 28 -3.832 7.763 -4.575 203 HA CYS 28 HA CYS 28 -3.983 8.416 -1.677 204 HB2 CYS 28 HB2 CYS 28 -4.755 10.110 -3.962 205 HB3 CYS 28 HB1 CYS 28 -6.033 9.909 -2.764 206 H GLY 29 HN GLY 29 -6.063 7.908 -0.738 207 HA2 GLY 29 HA2 GLY 29 -7.675 6.201 -0.384 208 HA3 GLY 29 HA1 GLY 29 -8.413 7.035 -1.746 209 H SER 30 HN SER 30 -9.096 5.583 -3.201 210 HA SER 30 HA SER 30 -8.614 2.908 -3.445 211 HB2 SER 30 HB2 SER 30 -9.665 4.922 -5.151 212 HB3 SER 30 HB1 SER 30 -8.572 3.940 -6.121 213 HG SER 30 HG SER 30 -9.794 2.206 -5.767 214 H ASP 31 HN ASP 31 -6.785 5.216 -5.502 215 HA ASP 31 HA ASP 31 -4.917 3.517 -6.589 216 HB2 ASP 31 HB2 ASP 31 -4.054 6.136 -5.365 217 HB3 ASP 31 HB1 ASP 31 -3.445 5.367 -6.829 218 H LEU 32 HN LEU 32 -5.052 4.607 -3.244 219 HA LEU 32 HA LEU 32 -2.453 3.586 -2.497 220 HB2 LEU 32 HB2 LEU 32 -4.377 5.105 -1.235 221 HB3 LEU 32 HB1 LEU 32 -4.521 3.558 -0.401 222 HG LEU 32 HG LEU 32 -1.838 3.756 -0.453 223 HD11 LEU 32 HD11 LEU 32 -2.935 6.556 -0.662 224 HD12 LEU 32 HD12 LEU 32 -1.555 5.845 -1.500 225 HD13 LEU 32 HD13 LEU 32 -1.437 6.242 0.214 226 HD21 LEU 32 HD21 LEU 32 -2.280 3.667 1.754 227 HD22 LEU 32 HD22 LEU 32 -3.939 4.178 1.442 228 HD23 LEU 32 HD23 LEU 32 -2.686 5.383 1.743 229 H VAL 33 HN VAL 33 -5.626 2.322 -1.419 230 HA VAL 33 HA VAL 33 -4.848 -0.210 -0.628 231 HB VAL 33 HB VAL 33 -7.119 -0.999 -1.336 232 HG11 VAL 33 HG11 VAL 33 -6.428 1.019 0.512 233 HG12 VAL 33 HG12 VAL 33 -7.858 -0.014 0.543 234 HG13 VAL 33 HG13 VAL 33 -7.920 1.555 -0.261 235 HG21 VAL 33 HG21 VAL 33 -7.356 1.799 -2.488 236 HG22 VAL 33 HG22 VAL 33 -8.618 0.566 -2.460 237 HG23 VAL 33 HG23 VAL 33 -7.180 0.333 -3.455 238 H GLU 34 HN GLU 34 -5.417 0.894 -3.953 239 HA GLU 34 HA GLU 34 -5.097 -1.653 -5.212 240 HB2 GLU 34 HB2 GLU 34 -5.096 1.185 -6.031 241 HB3 GLU 34 HB1 GLU 34 -4.136 0.126 -7.061 242 HG2 GLU 34 HG2 GLU 34 -6.687 -1.091 -6.354 243 HG3 GLU 34 HG1 GLU 34 -6.905 0.458 -7.170 244 H ALA 35 HN ALA 35 -2.758 0.989 -4.628 245 HA ALA 35 HA ALA 35 -0.472 -0.244 -5.702 246 HB1 ALA 35 HB1 ALA 35 -0.792 1.620 -3.337 247 HB2 ALA 35 HB2 ALA 35 -0.319 2.037 -4.984 248 HB3 ALA 35 HB3 ALA 35 0.785 1.127 -3.954 249 H LEU 36 HN LEU 36 -1.479 -0.305 -2.249 250 HA LEU 36 HA LEU 36 0.436 -2.219 -1.405 251 HB2 LEU 36 HB2 LEU 36 -2.402 -1.985 -0.356 252 HB3 LEU 36 HB1 LEU 36 -1.006 -2.624 0.505 253 HG LEU 36 HG LEU 36 -0.990 -0.508 1.384 254 HD11 LEU 36 HD11 LEU 36 0.666 0.856 0.358 255 HD12 LEU 36 HD12 LEU 36 0.244 0.286 -1.256 256 HD13 LEU 36 HD13 LEU 36 1.068 -0.791 -0.128 257 HD21 LEU 36 HD21 LEU 36 -2.848 -0.049 -0.718 258 HD22 LEU 36 HD22 LEU 36 -1.667 1.260 -0.761 259 HD23 LEU 36 HD23 LEU 36 -2.569 0.935 0.718 260 H TYR 37 HN TYR 37 -2.434 -2.533 -3.290 261 HA TYR 37 HA TYR 37 -2.700 -5.424 -2.887 262 HB2 TYR 37 HB2 TYR 37 -4.735 -4.243 -3.326 263 HB3 TYR 37 HB1 TYR 37 -4.038 -3.428 -4.729 264 HD1 TYR 37 HD1 TYR 37 -4.017 -7.107 -3.662 265 HD2 TYR 37 HD2 TYR 37 -5.086 -4.289 -6.756 266 HE1 TYR 37 HE1 TYR 37 -4.722 -8.946 -5.123 267 HE2 TYR 37 HE2 TYR 37 -5.786 -6.152 -8.190 268 HH TYR 37 HH TYR 37 -5.436 -8.491 -8.463 269 H LEU 38 HN LEU 38 -0.798 -3.359 -4.836 270 HA LEU 38 HA LEU 38 -0.459 -5.325 -7.004 271 HB2 LEU 38 HB2 LEU 38 1.456 -3.059 -6.680 272 HB3 LEU 38 HB1 LEU 38 0.707 -3.694 -8.144 273 HG LEU 38 HG LEU 38 -0.653 -2.011 -6.032 274 HD11 LEU 38 HD11 LEU 38 0.956 -0.876 -7.636 275 HD12 LEU 38 HD12 LEU 38 -0.702 -0.277 -7.685 276 HD13 LEU 38 HD13 LEU 38 -0.124 -1.375 -8.938 277 HD21 LEU 38 HD21 LEU 38 -2.623 -2.114 -7.416 278 HD22 LEU 38 HD22 LEU 38 -2.100 -3.769 -7.106 279 HD23 LEU 38 HD23 LEU 38 -1.756 -3.012 -8.661 280 H VAL 39 HN VAL 39 1.442 -3.973 -4.320 281 HA VAL 39 HA VAL 39 3.749 -5.638 -4.763 282 HB VAL 39 HB VAL 39 4.546 -4.783 -2.695 283 HG11 VAL 39 HG11 VAL 39 2.563 -2.672 -3.562 284 HG12 VAL 39 HG12 VAL 39 3.983 -3.082 -4.524 285 HG13 VAL 39 HG13 VAL 39 4.179 -2.434 -2.895 286 HG21 VAL 39 HG21 VAL 39 3.174 -5.006 -0.909 287 HG22 VAL 39 HG22 VAL 39 1.741 -5.054 -1.936 288 HG23 VAL 39 HG23 VAL 39 2.406 -3.503 -1.422 289 H CYS 40 HN CYS 40 0.656 -6.175 -3.311 290 HA CYS 40 HA CYS 40 1.633 -8.774 -2.201 291 HB2 CYS 40 HB2 CYS 40 -0.744 -7.053 -1.443 292 HB3 CYS 40 HB1 CYS 40 -0.493 -8.688 -0.833 293 H GLY 41 HN GLY 41 0.555 -7.820 -4.983 294 HA2 GLY 41 HA2 GLY 41 -1.922 -8.865 -5.628 295 HA3 GLY 41 HA1 GLY 41 -0.534 -9.010 -6.707 296 H GLU 42 HN GLU 42 1.067 -10.710 -5.064 297 HA GLU 42 HA GLU 42 -0.631 -13.168 -4.910 298 HB2 GLU 42 HB2 GLU 42 1.565 -14.345 -5.670 299 HB3 GLU 42 HB1 GLU 42 0.591 -13.526 -6.891 300 HG2 GLU 42 HG2 GLU 42 2.582 -11.820 -5.520 301 HG3 GLU 42 HG1 GLU 42 3.254 -13.084 -6.550 302 H ARG 43 HN ARG 43 0.697 -11.119 -2.969 303 HA ARG 43 HA ARG 43 1.855 -13.215 -1.184 304 HB2 ARG 43 HB2 ARG 43 3.727 -11.914 -2.047 305 HB3 ARG 43 HB1 ARG 43 2.911 -10.407 -1.629 306 HG2 ARG 43 HG2 ARG 43 4.425 -10.768 0.158 307 HG3 ARG 43 HG1 ARG 43 2.868 -11.312 0.785 308 HD2 ARG 43 HD2 ARG 43 3.584 -13.443 0.984 309 HD3 ARG 43 HD1 ARG 43 4.286 -13.435 -0.633 310 HE ARG 43 HE ARG 43 6.373 -12.764 0.315 311 HH11 ARG 43 HH21 ARG 43 4.829 -10.895 2.311 312 HH12 ARG 43 HH22 ARG 43 5.388 -11.556 3.811 313 HH21 ARG 43 HH11 ARG 43 6.648 -14.449 2.372 314 HH22 ARG 43 HH12 ARG 43 6.416 -13.570 3.846 315 H GLY 44 HN GLY 44 0.383 -13.368 0.439 316 HA2 GLY 44 HA2 GLY 44 -0.627 -12.542 2.454 317 HA3 GLY 44 HA1 GLY 44 -0.395 -10.895 1.865 318 H GLY 45 HN GLY 45 -2.315 -9.932 1.438 319 HA2 GLY 45 HA2 GLY 45 -4.265 -9.796 -0.055 320 HA3 GLY 45 HA1 GLY 45 -4.411 -11.551 0.059 321 H PHE 46 HN PHE 46 -3.876 -9.257 2.713 322 HA PHE 46 HA PHE 46 -6.422 -10.247 3.922 323 HB2 PHE 46 HB2 PHE 46 -4.473 -10.763 5.280 324 HB3 PHE 46 HB1 PHE 46 -3.912 -9.068 5.174 325 HD1 PHE 46 HD1 PHE 46 -7.328 -10.699 5.995 326 HD2 PHE 46 HD2 PHE 46 -4.338 -7.840 7.265 327 HE1 PHE 46 HE1 PHE 46 -8.692 -10.087 7.928 328 HE2 PHE 46 HE2 PHE 46 -5.738 -7.257 9.179 329 HZ PHE 46 HZ PHE 46 -7.913 -8.371 9.523 330 H TYR 47 HN TYR 47 -5.235 -7.649 2.253 331 HA TYR 47 HA TYR 47 -6.389 -5.502 3.858 332 HB2 TYR 47 HB2 TYR 47 -4.483 -5.523 1.957 333 HB3 TYR 47 HB1 TYR 47 -5.898 -5.157 0.924 334 HD1 TYR 47 HD2 TYR 47 -7.471 -3.108 1.676 335 HD2 TYR 47 HD1 TYR 47 -3.552 -3.696 3.413 336 HE1 TYR 47 HE2 TYR 47 -7.452 -0.800 2.479 337 HE2 TYR 47 HE1 TYR 47 -3.575 -1.380 4.191 338 HH TYR 47 HH TYR 47 -4.620 0.588 4.087 339 H THR 48 HN THR 48 -8.383 -7.342 3.627 340 HA THR 48 HA THR 48 -10.178 -6.224 1.518 341 HB THR 48 HB THR 48 -10.568 -8.838 2.982 342 HG1 THR 48 HG1 THR 48 -9.010 -9.564 1.805 343 HG21 THR 48 HG21 THR 48 -11.766 -9.158 0.619 344 HG22 THR 48 HG22 THR 48 -11.849 -7.399 0.701 345 HG23 THR 48 HG23 THR 48 -12.589 -8.377 1.969 346 H LYS 49 HN LYS 49 -10.666 -7.892 4.606 347 HA LYS 49 HA LYS 49 -11.882 -7.238 6.512 348 HB2 LYS 49 HB2 LYS 49 -10.578 -5.025 5.933 349 HB3 LYS 49 HB1 LYS 49 -12.163 -4.464 5.397 350 HG2 LYS 49 HG2 LYS 49 -13.083 -4.599 7.535 351 HG3 LYS 49 HG1 LYS 49 -11.901 -5.791 8.078 352 HD2 LYS 49 HD2 LYS 49 -10.426 -4.196 8.720 353 HD3 LYS 49 HD1 LYS 49 -10.690 -3.245 7.258 354 HE2 LYS 49 HE2 LYS 49 -11.546 -1.848 8.944 355 HE3 LYS 49 HE1 LYS 49 -12.990 -2.661 8.338 356 HZ1 LYS 49 HZ1 LYS 49 -13.084 -2.827 10.662 357 HZ2 LYS 49 HZ2 LYS 49 -11.448 -3.264 10.791 358 HZ3 LYS 49 HZ3 LYS 49 -12.574 -4.356 10.134 359 HA PRO 50 HA PRO 50 -15.744 -7.636 4.173 360 HB2 PRO 50 HB2 PRO 50 -16.760 -9.592 5.815 361 HB3 PRO 50 HB1 PRO 50 -15.689 -9.921 4.440 362 HG2 PRO 50 HG2 PRO 50 -15.067 -9.958 7.358 363 HG3 PRO 50 HG1 PRO 50 -14.293 -10.845 6.034 364 HD2 PRO 50 HD2 PRO 50 -13.275 -8.520 7.283 365 HD3 PRO 50 HD1 PRO 50 -12.703 -9.219 5.754 366 H THR 51 HN THR 51 -18.103 -7.606 5.133 367 HA THR 51 HA THR 51 -18.106 -5.648 7.384 368 HB THR 51 HB THR 51 -20.656 -5.617 6.385 369 HG1 THR 51 HG1 THR 51 -19.888 -5.432 3.996 370 HG21 THR 51 HG21 THR 51 -19.489 -3.592 6.742 371 HG22 THR 51 HG22 THR 51 -19.761 -3.633 5.000 372 HG23 THR 51 HG23 THR 51 -18.180 -4.056 5.656 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -9.390 6.910 2.071 2 H2 GLY 1 HT2 GLY 1 -9.134 6.182 0.557 3 H3 GLY 1 HT3 GLY 1 -10.227 7.474 0.705 4 HA2 GLY 1 HA1 GLY 1 -7.906 8.017 -0.168 5 HA3 GLY 1 HA2 GLY 1 -8.587 9.127 1.059 6 H ILE 2 HN ILE 2 -6.999 5.943 0.106 7 HA ILE 2 HA ILE 2 -4.697 6.358 1.864 8 HB ILE 2 HB ILE 2 -5.349 4.241 -0.195 9 HG12 ILE 2 HG12 ILE 2 -5.075 3.926 2.792 10 HG13 ILE 2 HG11 ILE 2 -6.594 4.473 2.079 11 HG21 ILE 2 HG21 ILE 2 -2.898 4.599 0.013 12 HG22 ILE 2 HG22 ILE 2 -3.392 3.038 0.668 13 HG23 ILE 2 HG23 ILE 2 -3.031 4.378 1.758 14 HD11 ILE 2 HD11 ILE 2 -5.811 2.298 0.502 15 HD12 ILE 2 HD12 ILE 2 -7.094 2.309 1.713 16 HD13 ILE 2 HD13 ILE 2 -5.465 1.799 2.158 17 H VAL 3 HN VAL 3 -5.437 6.680 -1.568 18 HA VAL 3 HA VAL 3 -2.781 6.919 -2.553 19 HB VAL 3 HB VAL 3 -3.748 7.842 -4.519 20 HG11 VAL 3 HG11 VAL 3 -4.889 5.941 -4.887 21 HG12 VAL 3 HG12 VAL 3 -6.263 6.589 -3.990 22 HG13 VAL 3 HG13 VAL 3 -5.009 5.679 -3.148 23 HG21 VAL 3 HG21 VAL 3 -4.880 9.766 -3.588 24 HG22 VAL 3 HG22 VAL 3 -5.998 8.738 -2.691 25 HG23 VAL 3 HG23 VAL 3 -6.088 8.814 -4.451 26 H GLU 4 HN GLU 4 -4.860 9.174 -0.900 27 HA GLU 4 HA GLU 4 -3.193 11.500 -1.467 28 HB2 GLU 4 HB2 GLU 4 -5.175 11.289 0.794 29 HB3 GLU 4 HB1 GLU 4 -4.736 12.710 -0.157 30 HG2 GLU 4 HG2 GLU 4 -5.653 10.910 -2.070 31 HG3 GLU 4 HG1 GLU 4 -6.747 10.659 -0.710 32 H GLN 5 HN GLN 5 -2.617 8.833 0.357 33 HA GLN 5 HA GLN 5 -1.257 10.351 2.533 34 HB2 GLN 5 HB2 GLN 5 -2.856 8.139 2.702 35 HB3 GLN 5 HB1 GLN 5 -1.257 7.399 2.627 36 HG2 GLN 5 HG2 GLN 5 -1.437 7.770 4.912 37 HG3 GLN 5 HG1 GLN 5 -0.665 9.273 4.403 38 HE21 GLN 5 HE21 GLN 5 -1.626 10.754 5.861 39 HE22 GLN 5 HE22 GLN 5 -3.299 11.015 5.971 40 H CYS 6 HN CYS 6 -0.703 7.875 0.035 41 HA CYS 6 HA CYS 6 2.222 8.151 0.525 42 HB2 CYS 6 HB2 CYS 6 0.645 6.030 -0.952 43 HB3 CYS 6 HB1 CYS 6 2.404 6.060 -0.821 44 H CYS 7 HN CYS 7 -0.236 8.378 -2.044 45 HA CYS 7 HA CYS 7 1.677 8.851 -4.147 46 HB2 CYS 7 HB2 CYS 7 -0.800 8.198 -4.395 47 HB3 CYS 7 HB1 CYS 7 -1.144 9.915 -4.166 48 H THR 8 HN THR 8 0.565 10.817 -1.577 49 HA THR 8 HA THR 8 1.578 13.251 -2.996 50 HB THR 8 HB THR 8 -0.830 13.275 -2.136 51 HG1 THR 8 HG1 THR 8 -0.533 15.340 -1.945 52 HG21 THR 8 HG21 THR 8 -1.228 13.400 0.202 53 HG22 THR 8 HG22 THR 8 0.490 13.569 0.562 54 HG23 THR 8 HG23 THR 8 -0.144 12.025 -0.007 55 H SER 9 HN SER 9 1.838 11.152 -0.245 56 HA SER 9 HA SER 9 4.260 12.665 0.642 57 HB2 SER 9 HB2 SER 9 2.082 11.375 2.299 58 HB3 SER 9 HB1 SER 9 3.685 11.688 2.960 59 HG SER 9 HG SER 9 3.243 13.910 2.012 60 H ILE 10 HN ILE 10 5.952 11.212 1.542 61 HA ILE 10 HA ILE 10 5.978 8.663 0.098 62 HB ILE 10 HB ILE 10 8.066 9.438 2.116 63 HG12 ILE 10 HG12 ILE 10 7.637 11.498 0.843 64 HG13 ILE 10 HG11 ILE 10 9.166 10.785 0.329 65 HG21 ILE 10 HG21 ILE 10 9.102 8.565 -0.365 66 HG22 ILE 10 HG22 ILE 10 7.712 7.533 -0.024 67 HG23 ILE 10 HG23 ILE 10 9.031 7.652 1.142 68 HD11 ILE 10 HD11 ILE 10 8.255 9.978 -1.689 69 HD12 ILE 10 HD12 ILE 10 7.509 11.567 -1.513 70 HD13 ILE 10 HD13 ILE 10 6.598 10.115 -1.100 71 H CYS 11 HN CYS 11 5.998 6.596 1.057 72 HA CYS 11 HA CYS 11 5.218 6.522 3.946 73 HB2 CYS 11 HB2 CYS 11 4.205 4.747 1.704 74 HB3 CYS 11 HB1 CYS 11 3.767 4.600 3.404 75 H SER 12 HN SER 12 5.251 3.843 4.367 76 HA SER 12 HA SER 12 7.904 2.856 3.436 77 HB2 SER 12 HB2 SER 12 7.904 1.983 6.008 78 HB3 SER 12 HB1 SER 12 8.690 3.473 5.496 79 HG SER 12 HG SER 12 6.143 3.110 6.673 80 H LEU 13 HN LEU 13 7.942 0.580 3.203 81 HA LEU 13 HA LEU 13 5.673 -0.838 2.575 82 HB2 LEU 13 HB2 LEU 13 8.378 -1.513 3.137 83 HB3 LEU 13 HB1 LEU 13 7.360 -2.662 4.007 84 HG LEU 13 HG LEU 13 6.053 -3.003 1.876 85 HD11 LEU 13 HD11 LEU 13 6.397 -1.295 0.396 86 HD12 LEU 13 HD12 LEU 13 7.757 -2.291 -0.124 87 HD13 LEU 13 HD13 LEU 13 8.018 -0.959 1.003 88 HD21 LEU 13 HD21 LEU 13 7.456 -4.797 2.025 89 HD22 LEU 13 HD22 LEU 13 8.854 -3.791 2.405 90 HD23 LEU 13 HD23 LEU 13 8.344 -3.996 0.729 91 H TYR 14 HN TYR 14 6.892 -0.215 5.833 92 HA TYR 14 HA TYR 14 5.110 -2.026 7.184 93 HB2 TYR 14 HB2 TYR 14 7.049 -1.085 8.343 94 HB3 TYR 14 HB1 TYR 14 6.408 0.550 8.138 95 HD1 TYR 14 HD1 TYR 14 5.354 -2.828 9.599 96 HD2 TYR 14 HD2 TYR 14 4.965 1.463 9.886 97 HE1 TYR 14 HE1 TYR 14 4.004 -3.068 11.635 98 HE2 TYR 14 HE2 TYR 14 3.615 1.188 11.916 99 HH TYR 14 HH TYR 14 3.083 -0.315 13.583 100 H GLN 15 HN GLN 15 4.896 1.490 6.526 101 HA GLN 15 HA GLN 15 2.268 1.813 7.603 102 HB2 GLN 15 HB2 GLN 15 3.926 3.329 5.602 103 HB3 GLN 15 HB1 GLN 15 2.225 3.747 5.810 104 HG2 GLN 15 HG2 GLN 15 3.787 3.404 8.310 105 HG3 GLN 15 HG1 GLN 15 4.201 4.809 7.328 106 HE21 GLN 15 HE21 GLN 15 1.851 3.513 9.524 107 HE22 GLN 15 HE22 GLN 15 0.737 4.789 9.419 108 H LEU 16 HN LEU 16 3.436 0.799 4.418 109 HA LEU 16 HA LEU 16 0.820 0.780 3.194 110 HB2 LEU 16 HB2 LEU 16 3.480 -0.464 2.513 111 HB3 LEU 16 HB1 LEU 16 2.033 -0.907 1.608 112 HG LEU 16 HG LEU 16 1.695 1.709 1.467 113 HD11 LEU 16 HD11 LEU 16 3.449 2.556 2.762 114 HD12 LEU 16 HD12 LEU 16 4.118 2.652 1.133 115 HD13 LEU 16 HD13 LEU 16 4.586 1.330 2.203 116 HD21 LEU 16 HD21 LEU 16 2.271 1.427 -0.718 117 HD22 LEU 16 HD22 LEU 16 2.587 -0.245 -0.255 118 HD23 LEU 16 HD23 LEU 16 3.911 0.919 -0.312 119 H GLU 17 HN GLU 17 2.699 -1.489 5.110 120 HA GLU 17 HA GLU 17 1.211 -3.849 4.657 121 HB2 GLU 17 HB2 GLU 17 2.597 -2.805 7.145 122 HB3 GLU 17 HB1 GLU 17 1.972 -4.438 6.983 123 HG2 GLU 17 HG2 GLU 17 3.503 -3.952 4.657 124 HG3 GLU 17 HG1 GLU 17 4.463 -3.368 6.018 125 H ASN 18 HN ASN 18 0.521 -0.945 6.486 126 HA ASN 18 HA ASN 18 -1.684 -2.017 8.018 127 HB2 ASN 18 HB2 ASN 18 -0.282 0.306 8.117 128 HB3 ASN 18 HB1 ASN 18 -1.726 0.854 7.264 129 HD21 ASN 18 HD21 ASN 18 -3.868 0.350 8.366 130 HD22 ASN 18 HD22 ASN 18 -3.905 0.271 10.061 131 H TYR 19 HN TYR 19 -1.351 -0.632 4.785 132 HA TYR 19 HA TYR 19 -4.093 -0.106 4.245 133 HB2 TYR 19 HB2 TYR 19 -1.930 -1.126 2.356 134 HB3 TYR 19 HB1 TYR 19 -3.497 -0.429 1.847 135 HD1 TYR 19 HD2 TYR 19 -3.526 1.712 4.311 136 HD2 TYR 19 HD1 TYR 19 -0.568 0.811 1.286 137 HE1 TYR 19 HE2 TYR 19 -2.582 3.955 4.517 138 HE2 TYR 19 HE1 TYR 19 0.338 3.061 1.522 139 HH TYR 19 HH TYR 19 -1.212 5.547 2.898 140 H CYS 20 HN CYS 20 -2.504 -3.085 4.808 141 HA CYS 20 HA CYS 20 -4.627 -4.617 3.398 142 HB2 CYS 20 HB2 CYS 20 -2.112 -5.583 4.791 143 HB3 CYS 20 HB1 CYS 20 -3.228 -6.589 3.869 144 H ASN 21 HN ASN 21 -5.847 -3.380 5.387 145 HA ASN 21 HA ASN 21 -6.715 -5.493 7.135 146 HB2 ASN 21 HB2 ASN 21 -4.386 -4.497 8.044 147 HB3 ASN 21 HB1 ASN 21 -5.488 -3.323 8.765 148 HD21 ASN 21 HD21 ASN 21 -7.700 -5.360 8.964 149 HD22 ASN 21 HD22 ASN 21 -7.266 -6.367 10.260 150 H1 PHE 22 HT1 PHE 22 13.731 -0.919 0.558 151 H2 PHE 22 HT2 PHE 22 14.996 0.008 -0.094 152 H3 PHE 22 HT3 PHE 22 14.942 -1.669 -0.362 153 HA PHE 22 HA PHE 22 14.153 -0.009 -2.193 154 HB2 PHE 22 HB2 PHE 22 12.257 -1.840 -2.634 155 HB3 PHE 22 HB1 PHE 22 13.967 -2.224 -2.819 156 HD1 PHE 22 HD1 PHE 22 11.686 -1.850 0.149 157 HD2 PHE 22 HD2 PHE 22 14.454 -4.348 -1.991 158 HE1 PHE 22 HE1 PHE 22 11.488 -3.579 1.913 159 HE2 PHE 22 HE2 PHE 22 14.256 -6.077 -0.223 160 HZ PHE 22 HZ PHE 22 12.774 -5.694 1.728 161 H VAL 23 HN VAL 23 13.341 1.835 -0.740 162 HA VAL 23 HA VAL 23 10.383 1.843 -0.915 163 HB VAL 23 HB VAL 23 11.422 1.256 1.469 164 HG11 VAL 23 HG11 VAL 23 12.154 2.997 2.752 165 HG12 VAL 23 HG12 VAL 23 11.083 4.158 1.968 166 HG13 VAL 23 HG13 VAL 23 12.590 3.680 1.185 167 HG21 VAL 23 HG21 VAL 23 9.289 1.542 2.147 168 HG22 VAL 23 HG22 VAL 23 8.988 2.079 0.494 169 HG23 VAL 23 HG23 VAL 23 9.308 3.263 1.763 170 H ASN 24 HN ASN 24 10.086 4.312 0.394 171 HA ASN 24 HA ASN 24 10.173 6.614 -0.063 172 HB2 ASN 24 HB2 ASN 24 12.597 6.232 0.522 173 HB3 ASN 24 HB1 ASN 24 12.915 6.021 -1.201 174 HD21 ASN 24 HD21 ASN 24 11.278 8.395 0.983 175 HD22 ASN 24 HD22 ASN 24 11.793 9.761 0.117 176 H GLN 25 HN GLN 25 8.554 5.763 -1.769 177 HA GLN 25 HA GLN 25 9.463 6.778 -4.411 178 HB2 GLN 25 HB2 GLN 25 8.918 4.034 -3.827 179 HB3 GLN 25 HB1 GLN 25 7.623 4.637 -4.864 180 HG2 GLN 25 HG2 GLN 25 9.423 5.623 -6.357 181 HG3 GLN 25 HG1 GLN 25 10.601 4.722 -5.403 182 HE21 GLN 25 HE21 GLN 25 8.781 2.401 -4.984 183 HE22 GLN 25 HE22 GLN 25 8.703 1.595 -6.476 184 H HIS 26 HN HIS 26 7.389 7.018 -5.868 185 HA HIS 26 HA HIS 26 5.150 7.971 -4.115 186 HB2 HIS 26 HB2 HIS 26 6.794 9.495 -5.792 187 HB3 HIS 26 HB1 HIS 26 5.327 9.245 -6.743 188 HD2 HIS 26 HD2 HIS 26 4.152 11.760 -6.250 189 HE1 HIS 26 HE1 HIS 26 4.264 11.490 -2.026 190 HE2 HIS 26 HE2 HIS 26 3.449 12.885 -4.007 191 H LEU 27 HN LEU 27 2.969 7.544 -5.052 192 HA LEU 27 HA LEU 27 2.876 6.086 -7.604 193 HB2 LEU 27 HB2 LEU 27 2.197 3.960 -6.714 194 HB3 LEU 27 HB1 LEU 27 3.671 4.423 -5.870 195 HG LEU 27 HG LEU 27 0.838 4.775 -4.847 196 HD11 LEU 27 HD11 LEU 27 3.020 3.128 -3.590 197 HD12 LEU 27 HD12 LEU 27 2.026 2.448 -4.878 198 HD13 LEU 27 HD13 LEU 27 1.274 2.996 -3.381 199 HD21 LEU 27 HD21 LEU 27 1.944 6.543 -3.855 200 HD22 LEU 27 HD22 LEU 27 3.514 5.743 -3.939 201 HD23 LEU 27 HD23 LEU 27 2.341 5.258 -2.714 202 H CYS 28 HN CYS 28 0.877 6.024 -8.507 203 HA CYS 28 HA CYS 28 -1.527 6.632 -6.879 204 HB2 CYS 28 HB2 CYS 28 -0.371 8.340 -8.994 205 HB3 CYS 28 HB1 CYS 28 -2.081 7.973 -9.212 206 H GLY 29 HN GLY 29 -3.538 6.146 -8.272 207 HA2 GLY 29 HA2 GLY 29 -4.691 4.374 -9.333 208 HA3 GLY 29 HA1 GLY 29 -3.668 4.846 -10.688 209 H SER 30 HN SER 30 -2.609 3.140 -11.539 210 HA SER 30 HA SER 30 -2.457 0.560 -10.447 211 HB2 SER 30 HB2 SER 30 -0.169 1.416 -12.141 212 HB3 SER 30 HB1 SER 30 -1.228 0.019 -12.305 213 HG SER 30 HG SER 30 -1.686 1.497 -13.932 214 H ASP 31 HN ASP 31 0.279 2.886 -10.575 215 HA ASP 31 HA ASP 31 2.194 1.539 -9.139 216 HB2 ASP 31 HB2 ASP 31 1.516 4.395 -8.471 217 HB3 ASP 31 HB1 ASP 31 3.102 3.634 -8.460 218 H LEU 32 HN LEU 32 -0.721 3.028 -7.784 219 HA LEU 32 HA LEU 32 0.014 2.592 -5.028 220 HB2 LEU 32 HB2 LEU 32 -2.146 3.772 -6.389 221 HB3 LEU 32 HB1 LEU 32 -2.851 2.425 -5.494 222 HG LEU 32 HG LEU 32 -1.126 3.489 -3.638 223 HD11 LEU 32 HD11 LEU 32 -1.003 5.395 -5.501 224 HD12 LEU 32 HD12 LEU 32 -1.008 5.790 -3.782 225 HD13 LEU 32 HD13 LEU 32 -2.496 5.913 -4.720 226 HD21 LEU 32 HD21 LEU 32 -3.322 2.891 -3.000 227 HD22 LEU 32 HD22 LEU 32 -4.054 3.929 -4.224 228 HD23 LEU 32 HD23 LEU 32 -3.297 4.643 -2.799 229 H VAL 33 HN VAL 33 -2.624 0.907 -6.774 230 HA VAL 33 HA VAL 33 -2.736 -1.346 -5.114 231 HB VAL 33 HB VAL 33 -3.779 -2.523 -6.964 232 HG11 VAL 33 HG11 VAL 33 -4.715 -0.221 -5.951 233 HG12 VAL 33 HG12 VAL 33 -5.570 -1.099 -7.218 234 HG13 VAL 33 HG13 VAL 33 -4.551 0.279 -7.634 235 HG21 VAL 33 HG21 VAL 33 -2.036 -2.008 -8.654 236 HG22 VAL 33 HG22 VAL 33 -2.611 -0.343 -8.725 237 HG23 VAL 33 HG23 VAL 33 -3.653 -1.659 -9.266 238 H GLU 34 HN GLU 34 -0.390 -0.490 -7.555 239 HA GLU 34 HA GLU 34 0.827 -3.112 -7.756 240 HB2 GLU 34 HB2 GLU 34 1.373 -0.381 -8.741 241 HB3 GLU 34 HB1 GLU 34 2.813 -1.356 -8.451 242 HG2 GLU 34 HG2 GLU 34 1.865 -1.581 -10.781 243 HG3 GLU 34 HG1 GLU 34 2.008 -3.107 -9.909 244 H ALA 35 HN ALA 35 1.887 -0.083 -6.128 245 HA ALA 35 HA ALA 35 4.040 -1.303 -4.703 246 HB1 ALA 35 HB1 ALA 35 2.414 0.953 -3.544 247 HB2 ALA 35 HB2 ALA 35 3.422 1.225 -4.966 248 HB3 ALA 35 HB3 ALA 35 4.156 0.691 -3.454 249 H LEU 36 HN LEU 36 0.646 -0.719 -3.830 250 HA LEU 36 HA LEU 36 0.711 -1.848 -1.210 251 HB2 LEU 36 HB2 LEU 36 -1.484 -1.664 -3.298 252 HB3 LEU 36 HB1 LEU 36 -1.764 -2.284 -1.677 253 HG LEU 36 HG LEU 36 -2.052 0.338 -2.384 254 HD11 LEU 36 HD11 LEU 36 -2.109 0.784 0.008 255 HD12 LEU 36 HD12 LEU 36 -1.156 -0.665 0.330 256 HD13 LEU 36 HD13 LEU 36 -2.794 -0.810 -0.305 257 HD21 LEU 36 HD21 LEU 36 0.742 0.016 -1.234 258 HD22 LEU 36 HD22 LEU 36 -0.140 1.542 -1.257 259 HD23 LEU 36 HD23 LEU 36 0.308 0.761 -2.772 260 H TYR 37 HN TYR 37 0.655 -3.230 -4.391 261 HA TYR 37 HA TYR 37 -0.087 -5.917 -3.518 262 HB2 TYR 37 HB2 TYR 37 -0.672 -5.232 -5.767 263 HB3 TYR 37 HB1 TYR 37 1.009 -4.823 -6.124 264 HD1 TYR 37 HD1 TYR 37 -1.162 -7.793 -5.111 265 HD2 TYR 37 HD2 TYR 37 2.528 -6.554 -6.981 266 HE1 TYR 37 HE1 TYR 37 -0.704 -10.106 -5.786 267 HE2 TYR 37 HE2 TYR 37 2.953 -8.875 -7.646 268 HH TYR 37 HH TYR 37 0.622 -11.463 -6.924 269 H LEU 38 HN LEU 38 2.770 -4.080 -3.464 270 HA LEU 38 HA LEU 38 4.534 -6.444 -3.685 271 HB2 LEU 38 HB2 LEU 38 5.638 -3.845 -2.757 272 HB3 LEU 38 HB1 LEU 38 6.290 -4.988 -3.930 273 HG LEU 38 HG LEU 38 3.971 -3.103 -4.399 274 HD11 LEU 38 HD11 LEU 38 6.162 -1.977 -4.335 275 HD12 LEU 38 HD12 LEU 38 5.524 -2.012 -5.979 276 HD13 LEU 38 HD13 LEU 38 6.794 -3.139 -5.502 277 HD21 LEU 38 HD21 LEU 38 4.535 -3.941 -6.835 278 HD22 LEU 38 HD22 LEU 38 3.483 -4.898 -5.792 279 HD23 LEU 38 HD23 LEU 38 5.179 -5.343 -5.981 280 H VAL 39 HN VAL 39 3.664 -3.966 -1.281 281 HA VAL 39 HA VAL 39 5.115 -5.115 0.893 282 HB VAL 39 HB VAL 39 3.911 -3.613 2.275 283 HG11 VAL 39 HG11 VAL 39 4.353 -1.643 1.200 284 HG12 VAL 39 HG12 VAL 39 3.416 -2.094 -0.225 285 HG13 VAL 39 HG13 VAL 39 5.053 -2.717 -0.012 286 HG21 VAL 39 HG21 VAL 39 1.658 -4.487 1.679 287 HG22 VAL 39 HG22 VAL 39 1.734 -3.588 0.163 288 HG23 VAL 39 HG23 VAL 39 1.700 -2.725 1.700 289 H CYS 40 HN CYS 40 2.000 -5.836 -0.536 290 HA CYS 40 HA CYS 40 1.637 -7.994 1.503 291 HB2 CYS 40 HB2 CYS 40 -0.349 -6.220 0.099 292 HB3 CYS 40 HB1 CYS 40 -0.840 -7.801 0.708 293 H GLY 41 HN GLY 41 2.877 -7.706 -1.387 294 HA2 GLY 41 HA2 GLY 41 1.371 -9.274 -3.194 295 HA3 GLY 41 HA1 GLY 41 3.133 -9.184 -3.194 296 H GLU 42 HN GLU 42 3.615 -10.285 -0.622 297 HA GLU 42 HA GLU 42 2.826 -13.115 -1.146 298 HB2 GLU 42 HB2 GLU 42 4.963 -12.378 0.817 299 HB3 GLU 42 HB1 GLU 42 4.855 -13.784 -0.242 300 HG2 GLU 42 HG2 GLU 42 5.256 -12.276 -2.201 301 HG3 GLU 42 HG1 GLU 42 5.503 -10.941 -1.074 302 H ARG 43 HN ARG 43 2.210 -10.500 0.926 303 HA ARG 43 HA ARG 43 1.372 -12.313 3.143 304 HB2 ARG 43 HB2 ARG 43 2.869 -10.326 3.634 305 HB3 ARG 43 HB1 ARG 43 1.520 -9.287 3.174 306 HG2 ARG 43 HG2 ARG 43 1.018 -9.432 5.399 307 HG3 ARG 43 HG1 ARG 43 0.257 -10.944 4.904 308 HD2 ARG 43 HD2 ARG 43 1.842 -12.220 5.923 309 HD3 ARG 43 HD1 ARG 43 3.154 -11.145 5.440 310 HE ARG 43 HE ARG 43 3.011 -10.253 7.605 311 HH11 ARG 43 HH21 ARG 43 0.076 -11.816 6.760 312 HH12 ARG 43 HH22 ARG 43 -0.819 -11.166 8.092 313 HH21 ARG 43 HH11 ARG 43 1.797 -9.199 9.235 314 HH22 ARG 43 HH12 ARG 43 0.154 -9.683 9.491 315 H GLY 44 HN GLY 44 -0.792 -12.482 3.683 316 HA2 GLY 44 HA2 GLY 44 -3.110 -12.386 3.306 317 HA3 GLY 44 HA1 GLY 44 -2.847 -10.646 3.180 318 H GLY 45 HN GLY 45 -4.248 -10.278 1.441 319 HA2 GLY 45 HA2 GLY 45 -3.337 -10.362 -1.170 320 HA3 GLY 45 HA1 GLY 45 -4.167 -11.907 -0.970 321 H PHE 46 HN PHE 46 -5.160 -10.051 -2.789 322 HA PHE 46 HA PHE 46 -7.008 -8.657 -3.279 323 HB2 PHE 46 HB2 PHE 46 -9.154 -9.720 -2.138 324 HB3 PHE 46 HB1 PHE 46 -8.285 -10.567 -3.451 325 HD1 PHE 46 HD2 PHE 46 -6.539 -12.449 -2.800 326 HD2 PHE 46 HD1 PHE 46 -9.115 -10.695 0.202 327 HE1 PHE 46 HE2 PHE 46 -6.059 -14.295 -1.273 328 HE2 PHE 46 HE1 PHE 46 -8.601 -12.558 1.697 329 HZ PHE 46 HZ PHE 46 -7.078 -14.360 0.973 330 H TYR 47 HN TYR 47 -6.562 -6.682 -2.258 331 HA TYR 47 HA TYR 47 -7.011 -6.295 0.588 332 HB2 TYR 47 HB2 TYR 47 -6.801 -3.817 -0.068 333 HB3 TYR 47 HB1 TYR 47 -5.379 -4.868 -0.339 334 HD1 TYR 47 HD1 TYR 47 -8.386 -3.335 -2.161 335 HD2 TYR 47 HD2 TYR 47 -4.554 -5.274 -2.684 336 HE1 TYR 47 HE1 TYR 47 -8.433 -2.838 -4.552 337 HE2 TYR 47 HE2 TYR 47 -4.645 -4.761 -5.071 338 HH TYR 47 HH TYR 47 -7.247 -4.053 -6.711 339 H THR 48 HN THR 48 -9.198 -6.828 -1.788 340 HA THR 48 HA THR 48 -11.118 -4.770 -1.587 341 HB THR 48 HB THR 48 -11.407 -7.752 -1.998 342 HG1 THR 48 HG1 THR 48 -11.442 -7.195 -4.059 343 HG21 THR 48 HG21 THR 48 -13.757 -7.051 -2.819 344 HG22 THR 48 HG22 THR 48 -13.516 -5.602 -1.842 345 HG23 THR 48 HG23 THR 48 -13.508 -7.192 -1.079 346 H LYS 49 HN LYS 49 -10.109 -7.088 0.750 347 HA LYS 49 HA LYS 49 -10.816 -7.491 2.952 348 HB2 LYS 49 HB2 LYS 49 -10.580 -4.901 2.845 349 HB3 LYS 49 HB1 LYS 49 -12.343 -4.898 2.807 350 HG2 LYS 49 HG2 LYS 49 -12.373 -6.249 4.890 351 HG3 LYS 49 HG1 LYS 49 -10.611 -6.180 4.940 352 HD2 LYS 49 HD2 LYS 49 -10.837 -4.267 6.116 353 HD3 LYS 49 HD1 LYS 49 -11.375 -3.519 4.611 354 HE2 LYS 49 HE2 LYS 49 -13.707 -4.553 5.275 355 HE3 LYS 49 HE1 LYS 49 -13.015 -4.564 6.898 356 HZ1 LYS 49 HZ1 LYS 49 -12.353 -2.129 6.181 357 HZ2 LYS 49 HZ2 LYS 49 -13.866 -2.478 6.871 358 HZ3 LYS 49 HZ3 LYS 49 -13.718 -2.302 5.188 359 HA PRO 50 HA PRO 50 -14.891 -8.992 1.631 360 HB2 PRO 50 HB2 PRO 50 -14.506 -11.512 2.660 361 HB3 PRO 50 HB1 PRO 50 -13.986 -11.024 1.037 362 HG2 PRO 50 HG2 PRO 50 -12.338 -11.445 3.490 363 HG3 PRO 50 HG1 PRO 50 -11.874 -11.589 1.786 364 HD2 PRO 50 HD2 PRO 50 -11.285 -9.400 3.474 365 HD3 PRO 50 HD1 PRO 50 -11.147 -9.418 1.704 366 H THR 51 HN THR 51 -16.738 -9.662 2.978 367 HA THR 51 HA THR 51 -16.819 -8.416 5.543 368 HB THR 51 HB THR 51 -18.647 -10.576 4.449 369 HG1 THR 51 HG1 THR 51 -19.097 -9.053 3.090 370 HG21 THR 51 HG21 THR 51 -18.736 -8.732 6.804 371 HG22 THR 51 HG22 THR 51 -19.266 -10.409 6.674 372 HG23 THR 51 HG23 THR 51 -20.246 -9.119 5.978 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -8.320 9.878 5.223 2 H2 GLY 1 HT2 GLY 1 -6.835 9.617 6.004 3 H3 GLY 1 HT3 GLY 1 -8.199 8.704 6.442 4 HA2 GLY 1 HA1 GLY 1 -7.392 7.209 4.970 5 HA3 GLY 1 HA2 GLY 1 -8.043 8.279 3.692 6 H ILE 2 HN ILE 2 -6.373 6.115 3.388 7 HA ILE 2 HA ILE 2 -3.637 6.467 4.364 8 HB ILE 2 HB ILE 2 -4.903 4.545 2.396 9 HG12 ILE 2 HG12 ILE 2 -3.871 4.337 5.236 10 HG13 ILE 2 HG11 ILE 2 -5.519 4.064 4.668 11 HG21 ILE 2 HG21 ILE 2 -2.501 5.090 1.848 12 HG22 ILE 2 HG22 ILE 2 -2.780 3.401 2.272 13 HG23 ILE 2 HG23 ILE 2 -2.064 4.501 3.451 14 HD11 ILE 2 HD11 ILE 2 -4.371 2.240 3.144 15 HD12 ILE 2 HD12 ILE 2 -4.739 1.874 4.830 16 HD13 ILE 2 HD13 ILE 2 -3.098 2.318 4.362 17 H VAL 3 HN VAL 3 -5.487 7.406 1.585 18 HA VAL 3 HA VAL 3 -3.397 7.732 -0.318 19 HB VAL 3 HB VAL 3 -4.918 9.098 -1.540 20 HG11 VAL 3 HG11 VAL 3 -6.971 7.623 0.031 21 HG12 VAL 3 HG12 VAL 3 -5.658 6.663 -0.653 22 HG13 VAL 3 HG13 VAL 3 -6.681 7.638 -1.709 23 HG21 VAL 3 HG21 VAL 3 -6.955 10.071 -0.344 24 HG22 VAL 3 HG22 VAL 3 -5.410 10.822 0.054 25 HG23 VAL 3 HG23 VAL 3 -6.144 9.671 1.171 26 H GLU 4 HN GLU 4 -4.336 9.630 2.439 27 HA GLU 4 HA GLU 4 -2.731 11.954 1.643 28 HB2 GLU 4 HB2 GLU 4 -3.666 11.536 4.458 29 HB3 GLU 4 HB1 GLU 4 -3.629 13.017 3.500 30 HG2 GLU 4 HG2 GLU 4 -5.451 11.981 2.052 31 HG3 GLU 4 HG1 GLU 4 -5.593 10.723 3.281 32 H GLN 5 HN GLN 5 -1.851 8.959 2.576 33 HA GLN 5 HA GLN 5 0.328 9.899 4.382 34 HB2 GLN 5 HB2 GLN 5 -1.206 7.954 5.042 35 HB3 GLN 5 HB1 GLN 5 -0.386 7.025 3.786 36 HG2 GLN 5 HG2 GLN 5 1.234 6.570 5.284 37 HG3 GLN 5 HG1 GLN 5 1.670 8.278 5.238 38 HE21 GLN 5 HE21 GLN 5 -0.605 9.415 6.502 39 HE22 GLN 5 HE22 GLN 5 -0.667 8.877 8.111 40 H CYS 6 HN CYS 6 -0.169 7.772 1.533 41 HA CYS 6 HA CYS 6 2.743 8.058 0.967 42 HB2 CYS 6 HB2 CYS 6 0.736 6.111 -0.200 43 HB3 CYS 6 HB1 CYS 6 2.479 6.097 -0.471 44 H CYS 7 HN CYS 7 -0.454 8.606 -0.473 45 HA CYS 7 HA CYS 7 0.460 9.220 -3.110 46 HB2 CYS 7 HB2 CYS 7 -1.980 8.971 -2.155 47 HB3 CYS 7 HB1 CYS 7 -1.845 10.709 -1.884 48 H THR 8 HN THR 8 0.993 10.857 -0.170 49 HA THR 8 HA THR 8 1.432 13.462 -1.542 50 HB THR 8 HB THR 8 0.218 13.600 0.572 51 HG1 THR 8 HG1 THR 8 1.780 15.216 0.129 52 HG21 THR 8 HG21 THR 8 2.581 12.039 1.630 53 HG22 THR 8 HG22 THR 8 0.881 11.569 1.654 54 HG23 THR 8 HG23 THR 8 1.446 12.888 2.680 55 H SER 9 HN SER 9 3.075 10.828 0.094 56 HA SER 9 HA SER 9 5.692 12.061 -0.676 57 HB2 SER 9 HB2 SER 9 5.149 11.756 1.847 58 HB3 SER 9 HB1 SER 9 5.358 10.035 1.538 59 HG SER 9 HG SER 9 7.357 10.711 2.040 60 H ILE 10 HN ILE 10 7.150 9.612 -0.101 61 HA ILE 10 HA ILE 10 6.106 7.955 -2.357 62 HB ILE 10 HB ILE 10 8.950 7.982 -1.325 63 HG12 ILE 10 HG12 ILE 10 8.366 10.254 -2.060 64 HG13 ILE 10 HG11 ILE 10 9.423 9.494 -3.250 65 HG21 ILE 10 HG21 ILE 10 7.462 6.475 -3.273 66 HG22 ILE 10 HG22 ILE 10 9.158 6.308 -2.816 67 HG23 ILE 10 HG23 ILE 10 8.696 7.428 -4.098 68 HD11 ILE 10 HD11 ILE 10 7.412 10.694 -4.229 69 HD12 ILE 10 HD12 ILE 10 6.402 9.466 -3.467 70 HD13 ILE 10 HD13 ILE 10 7.570 9.003 -4.705 71 H CYS 11 HN CYS 11 6.360 7.993 0.965 72 HA CYS 11 HA CYS 11 6.343 6.308 2.613 73 HB2 CYS 11 HB2 CYS 11 4.616 5.417 0.355 74 HB3 CYS 11 HB1 CYS 11 5.001 4.219 1.589 75 H SER 12 HN SER 12 6.471 3.611 2.577 76 HA SER 12 HA SER 12 8.697 2.738 0.848 77 HB2 SER 12 HB2 SER 12 10.228 2.292 2.594 78 HB3 SER 12 HB1 SER 12 9.601 3.887 2.998 79 HG SER 12 HG SER 12 9.629 1.934 4.595 80 H LEU 13 HN LEU 13 8.830 0.418 0.779 81 HA LEU 13 HA LEU 13 6.456 -1.022 0.979 82 HB2 LEU 13 HB2 LEU 13 9.040 -1.636 0.247 83 HB3 LEU 13 HB1 LEU 13 8.810 -2.643 1.677 84 HG LEU 13 HG LEU 13 6.427 -3.017 0.388 85 HD11 LEU 13 HD11 LEU 13 7.309 -1.672 -1.548 86 HD12 LEU 13 HD12 LEU 13 6.862 -3.322 -1.980 87 HD13 LEU 13 HD13 LEU 13 8.560 -2.897 -1.767 88 HD21 LEU 13 HD21 LEU 13 7.152 -5.152 0.531 89 HD22 LEU 13 HD22 LEU 13 8.700 -4.508 1.080 90 HD23 LEU 13 HD23 LEU 13 8.444 -4.853 -0.630 91 H TYR 14 HN TYR 14 8.644 -0.142 3.552 92 HA TYR 14 HA TYR 14 7.840 -2.077 5.493 93 HB2 TYR 14 HB2 TYR 14 9.787 -0.545 5.771 94 HB3 TYR 14 HB1 TYR 14 8.667 0.812 5.944 95 HD1 TYR 14 HD1 TYR 14 8.473 -2.742 7.335 96 HD2 TYR 14 HD2 TYR 14 8.662 1.462 8.305 97 HE1 TYR 14 HE1 TYR 14 8.167 -3.257 9.715 98 HE2 TYR 14 HE2 TYR 14 8.358 0.912 10.677 99 HH TYR 14 HH TYR 14 7.487 -2.266 11.739 100 H GLN 15 HN GLN 15 6.677 1.278 5.012 101 HA GLN 15 HA GLN 15 4.528 1.052 6.888 102 HB2 GLN 15 HB2 GLN 15 4.530 2.830 4.437 103 HB3 GLN 15 HB1 GLN 15 3.720 3.115 5.978 104 HG2 GLN 15 HG2 GLN 15 6.612 2.680 6.247 105 HG3 GLN 15 HG1 GLN 15 6.203 4.104 5.291 106 HE21 GLN 15 HE21 GLN 15 4.423 2.683 8.077 107 HE22 GLN 15 HE22 GLN 15 4.522 4.076 9.043 108 H LEU 16 HN LEU 16 4.600 0.638 3.332 109 HA LEU 16 HA LEU 16 1.823 0.010 3.078 110 HB2 LEU 16 HB2 LEU 16 4.263 -0.635 1.424 111 HB3 LEU 16 HB1 LEU 16 2.683 -1.294 0.996 112 HG LEU 16 HG LEU 16 1.808 1.109 1.144 113 HD11 LEU 16 HD11 LEU 16 3.706 2.059 2.375 114 HD12 LEU 16 HD12 LEU 16 3.535 2.861 0.813 115 HD13 LEU 16 HD13 LEU 16 4.793 1.647 1.047 116 HD21 LEU 16 HD21 LEU 16 3.230 -0.289 -0.927 117 HD22 LEU 16 HD22 LEU 16 3.561 1.437 -1.072 118 HD23 LEU 16 HD23 LEU 16 1.896 0.853 -1.092 119 H GLU 17 HN GLU 17 4.648 -1.951 3.897 120 HA GLU 17 HA GLU 17 3.455 -4.515 3.713 121 HB2 GLU 17 HB2 GLU 17 5.744 -3.301 5.138 122 HB3 GLU 17 HB1 GLU 17 5.078 -4.738 5.907 123 HG2 GLU 17 HG2 GLU 17 5.233 -5.927 3.710 124 HG3 GLU 17 HG1 GLU 17 6.041 -4.507 3.045 125 H ASN 18 HN ASN 18 2.981 -1.887 5.923 126 HA ASN 18 HA ASN 18 1.768 -3.464 8.041 127 HB2 ASN 18 HB2 ASN 18 2.766 -1.214 8.430 128 HB3 ASN 18 HB1 ASN 18 1.492 -0.502 7.440 129 HD21 ASN 18 HD21 ASN 18 2.238 -1.802 10.598 130 HD22 ASN 18 HD22 ASN 18 0.704 -1.556 11.281 131 H TYR 19 HN TYR 19 0.660 -2.040 5.031 132 HA TYR 19 HA TYR 19 -2.158 -2.092 5.761 133 HB2 TYR 19 HB2 TYR 19 -0.967 -2.166 2.963 134 HB3 TYR 19 HB1 TYR 19 -2.626 -1.691 3.411 135 HD1 TYR 19 HD1 TYR 19 -0.531 -0.385 6.062 136 HD2 TYR 19 HD2 TYR 19 -1.529 0.461 1.940 137 HE1 TYR 19 HE1 TYR 19 0.219 1.917 6.314 138 HE2 TYR 19 HE2 TYR 19 -0.769 2.750 2.237 139 HH TYR 19 HH TYR 19 -0.394 4.211 5.078 140 H CYS 20 HN CYS 20 0.044 -4.540 5.244 141 HA CYS 20 HA CYS 20 -1.664 -6.369 3.742 142 HB2 CYS 20 HB2 CYS 20 0.773 -6.976 5.446 143 HB3 CYS 20 HB1 CYS 20 0.047 -8.043 4.245 144 H ASN 21 HN ASN 21 -3.250 -5.438 5.721 145 HA ASN 21 HA ASN 21 -3.337 -7.695 7.683 146 HB2 ASN 21 HB2 ASN 21 -2.820 -5.325 8.575 147 HB3 ASN 21 HB1 ASN 21 -4.503 -4.958 8.193 148 HD21 ASN 21 HD21 ASN 21 -6.187 -6.185 9.371 149 HD22 ASN 21 HD22 ASN 21 -5.820 -6.956 10.837 150 H1 PHE 22 HT1 PHE 22 14.693 -0.274 -5.085 151 H2 PHE 22 HT2 PHE 22 15.120 -1.473 -3.960 152 H3 PHE 22 HT3 PHE 22 14.125 -0.178 -3.490 153 HA PHE 22 HA PHE 22 13.189 -1.824 -5.703 154 HB2 PHE 22 HB2 PHE 22 12.347 -3.558 -4.250 155 HB3 PHE 22 HB1 PHE 22 14.082 -3.422 -3.959 156 HD1 PHE 22 HD2 PHE 22 14.689 -1.514 -2.136 157 HD2 PHE 22 HD1 PHE 22 10.978 -3.670 -2.368 158 HE1 PHE 22 HE2 PHE 22 14.252 -1.016 0.255 159 HE2 PHE 22 HE1 PHE 22 10.540 -3.172 0.023 160 HZ PHE 22 HZ PHE 22 12.178 -1.846 1.335 161 H VAL 23 HN VAL 23 12.774 0.861 -4.950 162 HA VAL 23 HA VAL 23 9.880 0.812 -4.624 163 HB VAL 23 HB VAL 23 11.077 0.708 -2.281 164 HG11 VAL 23 HG11 VAL 23 12.093 2.572 -1.504 165 HG12 VAL 23 HG12 VAL 23 10.927 3.645 -2.279 166 HG13 VAL 23 HG13 VAL 23 12.271 2.983 -3.210 167 HG21 VAL 23 HG21 VAL 23 8.605 1.589 -3.231 168 HG22 VAL 23 HG22 VAL 23 9.122 2.845 -2.106 169 HG23 VAL 23 HG23 VAL 23 9.001 1.171 -1.564 170 H ASN 24 HN ASN 24 9.782 3.562 -3.772 171 HA ASN 24 HA ASN 24 10.205 5.772 -4.555 172 HB2 ASN 24 HB2 ASN 24 12.470 4.825 -5.368 173 HB3 ASN 24 HB1 ASN 24 11.669 4.623 -6.927 174 HD21 ASN 24 HD21 ASN 24 13.840 6.602 -5.992 175 HD22 ASN 24 HD22 ASN 24 13.224 8.122 -6.430 176 H GLN 25 HN GLN 25 7.852 5.309 -4.879 177 HA GLN 25 HA GLN 25 7.115 5.910 -7.649 178 HB2 GLN 25 HB2 GLN 25 6.876 3.209 -6.568 179 HB3 GLN 25 HB1 GLN 25 5.313 3.856 -7.069 180 HG2 GLN 25 HG2 GLN 25 6.075 4.254 -9.293 181 HG3 GLN 25 HG1 GLN 25 7.763 4.028 -8.834 182 HE21 GLN 25 HE21 GLN 25 5.018 2.411 -10.103 183 HE22 GLN 25 HE22 GLN 25 5.594 0.822 -9.942 184 H HIS 26 HN HIS 26 4.883 6.706 -7.753 185 HA HIS 26 HA HIS 26 3.891 7.516 -5.051 186 HB2 HIS 26 HB2 HIS 26 4.359 9.009 -7.365 187 HB3 HIS 26 HB1 HIS 26 2.609 8.779 -7.353 188 HD2 HIS 26 HD2 HIS 26 1.525 10.921 -6.039 189 HE1 HIS 26 HE1 HIS 26 4.491 11.316 -3.052 190 HE2 HIS 26 HE2 HIS 26 2.281 12.246 -3.931 191 H LEU 27 HN LEU 27 1.298 7.755 -5.138 192 HA LEU 27 HA LEU 27 0.078 5.727 -6.892 193 HB2 LEU 27 HB2 LEU 27 -0.738 5.165 -4.157 194 HB3 LEU 27 HB1 LEU 27 -0.193 4.060 -5.414 195 HG LEU 27 HG LEU 27 2.173 4.770 -4.895 196 HD11 LEU 27 HD11 LEU 27 1.773 5.652 -2.232 197 HD12 LEU 27 HD12 LEU 27 0.728 6.647 -3.247 198 HD13 LEU 27 HD13 LEU 27 2.460 6.572 -3.570 199 HD21 LEU 27 HD21 LEU 27 2.077 2.840 -3.745 200 HD22 LEU 27 HD22 LEU 27 0.363 3.093 -3.410 201 HD23 LEU 27 HD23 LEU 27 1.582 3.756 -2.322 202 H CYS 28 HN CYS 28 -2.216 5.345 -5.293 203 HA CYS 28 HA CYS 28 -3.820 7.011 -4.123 204 HB2 CYS 28 HB2 CYS 28 -2.933 8.550 -6.471 205 HB3 CYS 28 HB1 CYS 28 -4.677 8.445 -6.327 206 H GLY 29 HN GLY 29 -6.023 6.534 -4.427 207 HA2 GLY 29 HA2 GLY 29 -7.751 5.080 -5.082 208 HA3 GLY 29 HA1 GLY 29 -7.315 5.595 -6.711 209 H SER 30 HN SER 30 -7.184 3.767 -7.926 210 HA SER 30 HA SER 30 -6.637 1.161 -6.993 211 HB2 SER 30 HB2 SER 30 -6.357 2.466 -9.694 212 HB3 SER 30 HB1 SER 30 -5.882 0.787 -9.452 213 HG SER 30 HG SER 30 -8.093 1.057 -10.101 214 H ASP 31 HN ASP 31 -4.387 3.666 -8.156 215 HA ASP 31 HA ASP 31 -2.034 2.136 -8.308 216 HB2 ASP 31 HB2 ASP 31 -2.065 4.880 -7.053 217 HB3 ASP 31 HB1 ASP 31 -0.822 4.160 -8.071 218 H LEU 32 HN LEU 32 -3.621 3.531 -5.454 219 HA LEU 32 HA LEU 32 -1.568 2.745 -3.592 220 HB2 LEU 32 HB2 LEU 32 -4.051 4.114 -3.476 221 HB3 LEU 32 HB1 LEU 32 -4.183 2.746 -2.370 222 HG LEU 32 HG LEU 32 -1.645 3.673 -1.838 223 HD11 LEU 32 HD11 LEU 32 -1.477 5.934 -2.093 224 HD12 LEU 32 HD12 LEU 32 -3.180 6.200 -1.714 225 HD13 LEU 32 HD13 LEU 32 -2.706 5.698 -3.336 226 HD21 LEU 32 HD21 LEU 32 -2.520 3.858 0.256 227 HD22 LEU 32 HD22 LEU 32 -4.003 3.251 -0.481 228 HD23 LEU 32 HD23 LEU 32 -3.769 4.987 -0.269 229 H VAL 33 HN VAL 33 -4.872 1.377 -3.737 230 HA VAL 33 HA VAL 33 -4.422 -1.003 -2.404 231 HB VAL 33 HB VAL 33 -6.190 -2.017 -3.842 232 HG11 VAL 33 HG11 VAL 33 -7.935 -0.411 -3.265 233 HG12 VAL 33 HG12 VAL 33 -6.739 0.875 -3.111 234 HG13 VAL 33 HG13 VAL 33 -6.745 -0.467 -1.965 235 HG21 VAL 33 HG21 VAL 33 -5.553 0.426 -5.487 236 HG22 VAL 33 HG22 VAL 33 -7.167 -0.284 -5.542 237 HG23 VAL 33 HG23 VAL 33 -5.766 -1.241 -6.021 238 H GLU 34 HN GLU 34 -3.648 -0.292 -5.797 239 HA GLU 34 HA GLU 34 -2.826 -2.864 -6.595 240 HB2 GLU 34 HB2 GLU 34 -2.278 -0.080 -7.445 241 HB3 GLU 34 HB1 GLU 34 -1.046 -1.254 -7.896 242 HG2 GLU 34 HG2 GLU 34 -3.448 -2.559 -8.446 243 HG3 GLU 34 HG1 GLU 34 -3.733 -0.899 -8.969 244 H ALA 35 HN ALA 35 -0.829 -0.257 -5.137 245 HA ALA 35 HA ALA 35 1.550 -1.813 -4.956 246 HB1 ALA 35 HB1 ALA 35 1.853 -0.203 -2.829 247 HB2 ALA 35 HB2 ALA 35 0.487 0.622 -3.578 248 HB3 ALA 35 HB3 ALA 35 1.990 0.410 -4.477 249 H LEU 36 HN LEU 36 -0.942 -1.205 -2.444 250 HA LEU 36 HA LEU 36 0.085 -2.953 -0.483 251 HB2 LEU 36 HB2 LEU 36 -2.823 -2.394 -1.152 252 HB3 LEU 36 HB1 LEU 36 -2.243 -3.098 0.355 253 HG LEU 36 HG LEU 36 -2.359 -0.896 1.006 254 HD11 LEU 36 HD11 LEU 36 -0.123 0.208 0.771 255 HD12 LEU 36 HD12 LEU 36 0.323 -1.029 -0.400 256 HD13 LEU 36 HD13 LEU 36 -0.013 -1.478 1.272 257 HD21 LEU 36 HD21 LEU 36 -1.312 0.468 -1.370 258 HD22 LEU 36 HD22 LEU 36 -2.771 0.800 -0.435 259 HD23 LEU 36 HD23 LEU 36 -2.788 -0.445 -1.683 260 H TYR 37 HN TYR 37 -1.367 -3.629 -3.540 261 HA TYR 37 HA TYR 37 -2.060 -6.406 -2.857 262 HB2 TYR 37 HB2 TYR 37 -3.477 -5.267 -4.457 263 HB3 TYR 37 HB1 TYR 37 -2.082 -4.838 -5.455 264 HD1 TYR 37 HD1 TYR 37 -3.382 -8.069 -3.848 265 HD2 TYR 37 HD2 TYR 37 -1.831 -6.225 -7.432 266 HE1 TYR 37 HE1 TYR 37 -3.534 -10.208 -5.038 267 HE2 TYR 37 HE2 TYR 37 -2.001 -8.377 -8.594 268 HH TYR 37 HH TYR 37 -3.617 -11.115 -7.193 269 H LEU 38 HN LEU 38 0.730 -4.705 -3.743 270 HA LEU 38 HA LEU 38 1.951 -7.080 -5.046 271 HB2 LEU 38 HB2 LEU 38 3.640 -4.695 -4.623 272 HB3 LEU 38 HB1 LEU 38 3.419 -5.670 -6.072 273 HG LEU 38 HG LEU 38 1.427 -3.645 -5.035 274 HD11 LEU 38 HD11 LEU 38 3.094 -3.429 -7.536 275 HD12 LEU 38 HD12 LEU 38 3.673 -2.804 -5.992 276 HD13 LEU 38 HD13 LEU 38 2.195 -2.158 -6.706 277 HD21 LEU 38 HD21 LEU 38 0.380 -5.464 -6.280 278 HD22 LEU 38 HD22 LEU 38 1.547 -5.265 -7.588 279 HD23 LEU 38 HD23 LEU 38 0.373 -3.993 -7.251 280 H VAL 39 HN VAL 39 2.330 -4.940 -2.248 281 HA VAL 39 HA VAL 39 4.594 -6.455 -1.202 282 HB VAL 39 HB VAL 39 4.603 -4.893 0.575 283 HG11 VAL 39 HG11 VAL 39 4.859 -2.963 -0.622 284 HG12 VAL 39 HG12 VAL 39 3.245 -3.068 -1.324 285 HG13 VAL 39 HG13 VAL 39 4.564 -4.024 -2.000 286 HG21 VAL 39 HG21 VAL 39 2.610 -4.683 1.648 287 HG22 VAL 39 HG22 VAL 39 1.691 -4.991 0.175 288 HG23 VAL 39 HG23 VAL 39 2.304 -3.372 0.508 289 H CYS 40 HN CYS 40 1.113 -6.527 -0.884 290 HA CYS 40 HA CYS 40 1.342 -8.526 1.316 291 HB2 CYS 40 HB2 CYS 40 -1.221 -7.330 0.257 292 HB3 CYS 40 HB1 CYS 40 -0.929 -8.070 1.828 293 H GLY 41 HN GLY 41 1.231 -8.449 -1.995 294 HA2 GLY 41 HA2 GLY 41 -0.725 -10.531 -2.503 295 HA3 GLY 41 HA1 GLY 41 0.492 -9.959 -3.643 296 H GLU 42 HN GLU 42 2.775 -10.476 -1.928 297 HA GLU 42 HA GLU 42 2.904 -13.410 -2.322 298 HB2 GLU 42 HB2 GLU 42 5.277 -13.173 -2.236 299 HB3 GLU 42 HB1 GLU 42 4.700 -11.786 -3.161 300 HG2 GLU 42 HG2 GLU 42 4.588 -10.849 -0.569 301 HG3 GLU 42 HG1 GLU 42 6.030 -11.863 -0.541 302 H ARG 43 HN ARG 43 2.464 -11.140 0.188 303 HA ARG 43 HA ARG 43 3.071 -13.262 2.209 304 HB2 ARG 43 HB2 ARG 43 4.687 -11.605 2.636 305 HB3 ARG 43 HB1 ARG 43 3.580 -10.291 2.247 306 HG2 ARG 43 HG2 ARG 43 2.241 -10.894 4.285 307 HG3 ARG 43 HG1 ARG 43 3.487 -12.072 4.699 308 HD2 ARG 43 HD2 ARG 43 5.066 -9.940 4.320 309 HD3 ARG 43 HD1 ARG 43 3.588 -9.095 4.780 310 HE ARG 43 HE ARG 43 3.790 -10.990 6.742 311 HH11 ARG 43 HH21 ARG 43 4.482 -8.050 7.134 312 HH12 ARG 43 HH22 ARG 43 6.084 -8.166 7.784 313 HH21 ARG 43 HH11 ARG 43 6.525 -11.466 6.806 314 HH22 ARG 43 HH12 ARG 43 7.242 -10.102 7.596 315 H GLY 44 HN GLY 44 1.692 -13.091 4.181 316 HA2 GLY 44 HA2 GLY 44 -1.050 -13.083 3.648 317 HA3 GLY 44 HA1 GLY 44 -0.381 -12.785 5.254 318 H GLY 45 HN GLY 45 -2.706 -11.466 4.449 319 HA2 GLY 45 HA2 GLY 45 -3.067 -9.075 5.120 320 HA3 GLY 45 HA1 GLY 45 -1.705 -8.671 4.073 321 H PHE 46 HN PHE 46 -3.019 -10.983 2.324 322 HA PHE 46 HA PHE 46 -4.032 -9.480 0.241 323 HB2 PHE 46 HB2 PHE 46 -3.697 -11.972 0.253 324 HB3 PHE 46 HB1 PHE 46 -5.210 -12.120 1.196 325 HD1 PHE 46 HD1 PHE 46 -5.158 -9.303 -1.240 326 HD2 PHE 46 HD2 PHE 46 -6.143 -13.502 -0.901 327 HE1 PHE 46 HE1 PHE 46 -6.473 -9.192 -3.295 328 HE2 PHE 46 HE2 PHE 46 -7.447 -13.344 -2.960 329 HZ PHE 46 HZ PHE 46 -7.621 -11.197 -4.165 330 H TYR 47 HN TYR 47 -5.737 -8.083 0.075 331 HA TYR 47 HA TYR 47 -8.010 -8.470 1.957 332 HB2 TYR 47 HB2 TYR 47 -8.302 -6.014 1.986 333 HB3 TYR 47 HB1 TYR 47 -6.702 -6.499 2.614 334 HD1 TYR 47 HD2 TYR 47 -4.711 -6.630 0.639 335 HD2 TYR 47 HD1 TYR 47 -8.314 -4.267 0.234 336 HE1 TYR 47 HE2 TYR 47 -3.651 -5.252 -1.075 337 HE2 TYR 47 HE1 TYR 47 -7.211 -2.916 -1.471 338 HH TYR 47 HH TYR 47 -4.268 -3.819 -2.928 339 H THR 48 HN THR 48 -9.028 -6.006 0.260 340 HA THR 48 HA THR 48 -9.423 -6.563 -2.394 341 HB THR 48 HB THR 48 -10.963 -8.458 -0.666 342 HG1 THR 48 HG1 THR 48 -9.908 -8.530 -3.296 343 HG21 THR 48 HG21 THR 48 -12.732 -7.072 -1.721 344 HG22 THR 48 HG22 THR 48 -12.717 -8.713 -2.368 345 HG23 THR 48 HG23 THR 48 -12.020 -7.390 -3.303 346 H LYS 49 HN LYS 49 -11.540 -6.185 0.428 347 HA LYS 49 HA LYS 49 -12.106 -3.426 -0.136 348 HB2 LYS 49 HB2 LYS 49 -13.379 -4.749 -1.973 349 HB3 LYS 49 HB1 LYS 49 -14.473 -5.211 -0.668 350 HG2 LYS 49 HG2 LYS 49 -15.254 -3.054 -0.371 351 HG3 LYS 49 HG1 LYS 49 -13.751 -2.322 -0.937 352 HD2 LYS 49 HD2 LYS 49 -15.621 -2.027 -2.560 353 HD3 LYS 49 HD1 LYS 49 -14.277 -2.944 -3.241 354 HE2 LYS 49 HE2 LYS 49 -16.037 -4.314 -3.857 355 HE3 LYS 49 HE1 LYS 49 -15.651 -5.008 -2.283 356 HZ1 LYS 49 HZ1 LYS 49 -17.957 -3.466 -3.108 357 HZ2 LYS 49 HZ2 LYS 49 -17.319 -3.043 -1.592 358 HZ3 LYS 49 HZ3 LYS 49 -17.815 -4.640 -1.892 359 HA PRO 50 HA PRO 50 -13.155 -4.498 4.103 360 HB2 PRO 50 HB2 PRO 50 -12.746 -1.958 5.071 361 HB3 PRO 50 HB1 PRO 50 -11.445 -3.136 4.824 362 HG2 PRO 50 HG2 PRO 50 -12.152 -0.745 3.182 363 HG3 PRO 50 HG1 PRO 50 -10.580 -1.536 3.396 364 HD2 PRO 50 HD2 PRO 50 -12.269 -1.829 1.157 365 HD3 PRO 50 HD1 PRO 50 -10.902 -2.885 1.567 366 H THR 51 HN THR 51 -14.663 -3.107 5.734 367 HA THR 51 HA THR 51 -16.948 -2.048 4.118 368 HB THR 51 HB THR 51 -18.481 -3.068 5.714 369 HG1 THR 51 HG1 THR 51 -17.497 -3.116 7.614 370 HG21 THR 51 HG21 THR 51 -16.339 -4.963 4.717 371 HG22 THR 51 HG22 THR 51 -17.816 -4.496 3.873 372 HG23 THR 51 HG23 THR 51 -17.908 -5.482 5.332 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -9.722 9.844 2.450 2 H2 GLY 1 HT2 GLY 1 -8.812 10.653 1.265 3 H3 GLY 1 HT3 GLY 1 -8.177 10.440 2.826 4 HA2 GLY 1 HA1 GLY 1 -8.378 7.964 2.266 5 HA3 GLY 1 HA2 GLY 1 -8.506 8.479 0.557 6 H ILE 2 HN ILE 2 -6.730 6.701 0.960 7 HA ILE 2 HA ILE 2 -4.506 7.491 2.783 8 HB ILE 2 HB ILE 2 -4.080 5.274 3.155 9 HG12 ILE 2 HG12 ILE 2 -4.848 3.598 1.146 10 HG13 ILE 2 HG11 ILE 2 -4.446 5.040 0.216 11 HG21 ILE 2 HG21 ILE 2 -6.634 5.703 3.302 12 HG22 ILE 2 HG22 ILE 2 -6.057 4.037 3.343 13 HG23 ILE 2 HG23 ILE 2 -6.725 4.703 1.853 14 HD11 ILE 2 HD11 ILE 2 -2.591 3.229 0.909 15 HD12 ILE 2 HD12 ILE 2 -2.542 4.227 2.363 16 HD13 ILE 2 HD13 ILE 2 -2.215 4.948 0.787 17 H VAL 3 HN VAL 3 -5.429 7.549 -0.453 18 HA VAL 3 HA VAL 3 -2.832 7.049 -1.621 19 HB VAL 3 HB VAL 3 -3.828 7.653 -3.702 20 HG11 VAL 3 HG11 VAL 3 -6.405 6.835 -2.691 21 HG12 VAL 3 HG12 VAL 3 -5.121 5.922 -1.899 22 HG13 VAL 3 HG13 VAL 3 -5.251 5.916 -3.658 23 HG21 VAL 3 HG21 VAL 3 -5.776 9.204 -1.978 24 HG22 VAL 3 HG22 VAL 3 -6.112 8.833 -3.668 25 HG23 VAL 3 HG23 VAL 3 -4.717 9.825 -3.245 26 H GLU 4 HN GLU 4 -4.624 9.861 -0.573 27 HA GLU 4 HA GLU 4 -3.011 11.888 -1.739 28 HB2 GLU 4 HB2 GLU 4 -4.300 12.229 0.957 29 HB3 GLU 4 HB1 GLU 4 -4.168 13.391 -0.364 30 HG2 GLU 4 HG2 GLU 4 -5.586 11.507 -1.641 31 HG3 GLU 4 HG1 GLU 4 -6.110 11.155 0.005 32 H GLN 5 HN GLN 5 -2.185 9.659 0.699 33 HA GLN 5 HA GLN 5 -0.102 11.508 1.770 34 HB2 GLN 5 HB2 GLN 5 -1.777 9.570 3.003 35 HB3 GLN 5 HB1 GLN 5 -0.119 8.980 3.121 36 HG2 GLN 5 HG2 GLN 5 -1.160 11.679 4.021 37 HG3 GLN 5 HG1 GLN 5 -0.545 10.383 5.047 38 HE21 GLN 5 HE21 GLN 5 1.773 10.099 5.180 39 HE22 GLN 5 HE22 GLN 5 2.860 11.208 4.496 40 H CYS 6 HN CYS 6 -0.554 8.400 0.141 41 HA CYS 6 HA CYS 6 2.396 8.043 0.043 42 HB2 CYS 6 HB2 CYS 6 0.153 6.199 -0.834 43 HB3 CYS 6 HB1 CYS 6 1.871 5.800 -0.849 44 H CYS 7 HN CYS 7 -0.249 9.111 -1.877 45 HA CYS 7 HA CYS 7 1.125 8.622 -4.439 46 HB2 CYS 7 HB2 CYS 7 -1.412 8.574 -4.089 47 HB3 CYS 7 HB1 CYS 7 -1.327 10.332 -3.976 48 H THR 8 HN THR 8 0.507 11.305 -2.218 49 HA THR 8 HA THR 8 1.873 13.188 -4.047 50 HB THR 8 HB THR 8 -0.154 13.795 -2.567 51 HG1 THR 8 HG1 THR 8 2.026 15.457 -2.008 52 HG21 THR 8 HG21 THR 8 1.154 12.650 -0.561 53 HG22 THR 8 HG22 THR 8 0.104 14.039 -0.279 54 HG23 THR 8 HG23 THR 8 1.849 14.263 -0.394 55 H SER 9 HN SER 9 2.384 11.310 -1.164 56 HA SER 9 HA SER 9 5.249 12.153 -1.166 57 HB2 SER 9 HB2 SER 9 3.736 11.361 1.327 58 HB3 SER 9 HB1 SER 9 5.306 12.151 1.213 59 HG SER 9 HG SER 9 4.259 13.961 1.242 60 H ILE 10 HN ILE 10 6.636 10.408 -0.151 61 HA ILE 10 HA ILE 10 5.645 7.779 -1.083 62 HB ILE 10 HB ILE 10 8.315 9.037 -0.673 63 HG12 ILE 10 HG12 ILE 10 8.431 7.117 -2.664 64 HG13 ILE 10 HG11 ILE 10 6.751 7.649 -2.728 65 HG21 ILE 10 HG21 ILE 10 8.336 7.021 0.842 66 HG22 ILE 10 HG22 ILE 10 9.482 6.927 -0.494 67 HG23 ILE 10 HG23 ILE 10 7.965 6.030 -0.569 68 HD11 ILE 10 HD11 ILE 10 9.149 9.504 -2.769 69 HD12 ILE 10 HD12 ILE 10 7.458 9.977 -2.930 70 HD13 ILE 10 HD13 ILE 10 8.227 9.016 -4.193 71 H CYS 11 HN CYS 11 4.997 6.244 0.336 72 HA CYS 11 HA CYS 11 5.337 6.789 3.234 73 HB2 CYS 11 HB2 CYS 11 3.633 4.715 1.820 74 HB3 CYS 11 HB1 CYS 11 3.598 5.083 3.544 75 H SER 12 HN SER 12 5.578 4.615 4.546 76 HA SER 12 HA SER 12 7.880 3.145 3.339 77 HB2 SER 12 HB2 SER 12 8.690 2.794 5.540 78 HB3 SER 12 HB1 SER 12 8.101 4.453 5.553 79 HG SER 12 HG SER 12 7.080 3.654 7.254 80 H LEU 13 HN LEU 13 7.887 0.843 3.434 81 HA LEU 13 HA LEU 13 5.564 -0.560 2.917 82 HB2 LEU 13 HB2 LEU 13 8.207 -1.254 3.299 83 HB3 LEU 13 HB1 LEU 13 7.395 -2.112 4.610 84 HG LEU 13 HG LEU 13 5.685 -2.589 2.525 85 HD11 LEU 13 HD11 LEU 13 6.747 -2.692 0.499 86 HD12 LEU 13 HD12 LEU 13 8.284 -3.171 1.218 87 HD13 LEU 13 HD13 LEU 13 7.800 -1.476 1.221 88 HD21 LEU 13 HD21 LEU 13 6.417 -4.324 4.004 89 HD22 LEU 13 HD22 LEU 13 8.100 -4.125 3.516 90 HD23 LEU 13 HD23 LEU 13 6.932 -4.820 2.391 91 H TYR 14 HN TYR 14 6.770 0.430 6.068 92 HA TYR 14 HA TYR 14 5.112 -1.239 7.686 93 HB2 TYR 14 HB2 TYR 14 6.077 1.586 8.251 94 HB3 TYR 14 HB1 TYR 14 5.476 0.440 9.455 95 HD1 TYR 14 HD2 TYR 14 6.710 -2.162 8.751 96 HD2 TYR 14 HD1 TYR 14 8.506 1.757 8.499 97 HE1 TYR 14 HE2 TYR 14 8.947 -3.154 8.913 98 HE2 TYR 14 HE1 TYR 14 10.728 0.733 8.667 99 HH TYR 14 HH TYR 14 11.504 -2.110 8.014 100 H GLN 15 HN GLN 15 4.593 2.178 6.713 101 HA GLN 15 HA GLN 15 1.944 2.358 7.716 102 HB2 GLN 15 HB2 GLN 15 3.600 3.872 5.785 103 HB3 GLN 15 HB1 GLN 15 1.859 4.013 5.542 104 HG2 GLN 15 HG2 GLN 15 1.956 5.611 7.150 105 HG3 GLN 15 HG1 GLN 15 2.072 4.258 8.274 106 HE21 GLN 15 HE21 GLN 15 3.294 6.508 9.188 107 HE22 GLN 15 HE22 GLN 15 4.981 6.415 9.028 108 H LEU 16 HN LEU 16 3.165 1.187 4.593 109 HA LEU 16 HA LEU 16 0.562 0.844 3.405 110 HB2 LEU 16 HB2 LEU 16 3.257 -0.420 2.853 111 HB3 LEU 16 HB1 LEU 16 1.817 -0.820 1.917 112 HG LEU 16 HG LEU 16 1.565 1.748 1.620 113 HD11 LEU 16 HD11 LEU 16 3.184 2.534 3.202 114 HD12 LEU 16 HD12 LEU 16 3.865 2.850 1.606 115 HD13 LEU 16 HD13 LEU 16 4.431 1.472 2.549 116 HD21 LEU 16 HD21 LEU 16 4.005 0.833 0.188 117 HD22 LEU 16 HD22 LEU 16 2.502 1.491 -0.459 118 HD23 LEU 16 HD23 LEU 16 2.583 -0.199 0.039 119 H GLU 17 HN GLU 17 2.672 -1.264 5.331 120 HA GLU 17 HA GLU 17 1.158 -3.646 5.109 121 HB2 GLU 17 HB2 GLU 17 3.136 -2.521 6.999 122 HB3 GLU 17 HB1 GLU 17 2.059 -3.732 7.690 123 HG2 GLU 17 HG2 GLU 17 3.051 -4.457 5.027 124 HG3 GLU 17 HG1 GLU 17 4.338 -4.282 6.221 125 H ASN 18 HN ASN 18 0.569 -0.671 6.822 126 HA ASN 18 HA ASN 18 -1.447 -1.704 8.625 127 HB2 ASN 18 HB2 ASN 18 -0.147 0.549 8.735 128 HB3 ASN 18 HB1 ASN 18 -1.373 1.134 7.610 129 HD21 ASN 18 HD21 ASN 18 -3.510 1.504 8.425 130 HD22 ASN 18 HD22 ASN 18 -3.916 1.320 10.063 131 H TYR 19 HN TYR 19 -1.444 -0.488 5.312 132 HA TYR 19 HA TYR 19 -4.311 -0.218 5.069 133 HB2 TYR 19 HB2 TYR 19 -2.449 -0.964 2.807 134 HB3 TYR 19 HB1 TYR 19 -3.955 -0.007 2.727 135 HD1 TYR 19 HD2 TYR 19 -2.849 1.419 5.631 136 HD2 TYR 19 HD1 TYR 19 -1.384 1.182 1.568 137 HE1 TYR 19 HE2 TYR 19 -1.557 3.468 5.941 138 HE2 TYR 19 HE1 TYR 19 -0.109 3.229 1.921 139 HH TYR 19 HH TYR 19 -0.357 5.295 3.528 140 H CYS 20 HN CYS 20 -2.049 -2.892 4.727 141 HA CYS 20 HA CYS 20 -3.735 -4.730 3.388 142 HB2 CYS 20 HB2 CYS 20 -1.315 -4.930 5.080 143 HB3 CYS 20 HB1 CYS 20 -2.252 -6.401 4.819 144 H ASN 21 HN ASN 21 -2.875 -5.809 6.429 145 HA ASN 21 HA ASN 21 -5.343 -5.356 7.829 146 HB2 ASN 21 HB2 ASN 21 -6.160 -6.922 6.073 147 HB3 ASN 21 HB1 ASN 21 -4.977 -8.114 6.614 148 HD21 ASN 21 HD21 ASN 21 -7.685 -6.118 7.926 149 HD22 ASN 21 HD22 ASN 21 -8.188 -7.284 9.052 150 H1 PHE 22 HT1 PHE 22 14.840 -2.414 0.556 151 H2 PHE 22 HT2 PHE 22 13.535 -3.016 1.463 152 H3 PHE 22 HT3 PHE 22 13.819 -1.343 1.385 153 HA PHE 22 HA PHE 22 13.565 -1.789 -1.184 154 HB2 PHE 22 HB2 PHE 22 13.097 -4.052 -1.332 155 HB3 PHE 22 HB1 PHE 22 12.303 -4.099 0.238 156 HD1 PHE 22 HD1 PHE 22 11.846 -2.337 -3.055 157 HD2 PHE 22 HD2 PHE 22 10.006 -4.443 0.207 158 HE1 PHE 22 HE1 PHE 22 9.632 -2.107 -4.155 159 HE2 PHE 22 HE2 PHE 22 7.793 -4.211 -0.890 160 HZ PHE 22 HZ PHE 22 7.606 -3.042 -3.071 161 H VAL 23 HN VAL 23 12.888 0.345 -0.827 162 HA VAL 23 HA VAL 23 10.020 0.680 -0.459 163 HB VAL 23 HB VAL 23 11.376 0.714 1.882 164 HG11 VAL 23 HG11 VAL 23 11.091 3.641 1.516 165 HG12 VAL 23 HG12 VAL 23 12.511 2.893 0.784 166 HG13 VAL 23 HG13 VAL 23 12.225 2.734 2.516 167 HG21 VAL 23 HG21 VAL 23 8.889 0.903 1.386 168 HG22 VAL 23 HG22 VAL 23 9.127 2.648 1.327 169 HG23 VAL 23 HG23 VAL 23 9.452 1.765 2.816 170 H ASN 24 HN ASN 24 10.054 3.438 -0.015 171 HA ASN 24 HA ASN 24 10.500 5.493 -1.100 172 HB2 ASN 24 HB2 ASN 24 12.927 4.145 -1.186 173 HB3 ASN 24 HB1 ASN 24 12.615 4.532 -2.879 174 HD21 ASN 24 HD21 ASN 24 13.602 5.851 0.164 175 HD22 ASN 24 HD22 ASN 24 13.658 7.479 -0.315 176 H GLN 25 HN GLN 25 8.372 4.600 -2.108 177 HA GLN 25 HA GLN 25 8.729 4.611 -5.063 178 HB2 GLN 25 HB2 GLN 25 8.213 2.264 -3.736 179 HB3 GLN 25 HB1 GLN 25 6.583 2.832 -4.100 180 HG2 GLN 25 HG2 GLN 25 7.142 1.609 -6.025 181 HG3 GLN 25 HG1 GLN 25 7.523 3.268 -6.492 182 HE21 GLN 25 HE21 GLN 25 9.059 2.056 -8.058 183 HE22 GLN 25 HE22 GLN 25 10.601 1.653 -7.473 184 H HIS 26 HN HIS 26 6.769 5.334 -6.188 185 HA HIS 26 HA HIS 26 4.916 6.844 -4.373 186 HB2 HIS 26 HB2 HIS 26 6.555 7.793 -6.448 187 HB3 HIS 26 HB1 HIS 26 4.944 7.705 -7.161 188 HD2 HIS 26 HD2 HIS 26 3.928 10.251 -6.860 189 HE1 HIS 26 HE1 HIS 26 5.220 10.875 -2.875 190 HE2 HIS 26 HE2 HIS 26 3.932 11.895 -4.837 191 H LEU 27 HN LEU 27 2.579 6.972 -5.381 192 HA LEU 27 HA LEU 27 2.048 4.966 -7.441 193 HB2 LEU 27 HB2 LEU 27 1.035 3.307 -6.145 194 HB3 LEU 27 HB1 LEU 27 2.461 3.747 -5.219 195 HG LEU 27 HG LEU 27 -0.415 4.401 -4.678 196 HD11 LEU 27 HD11 LEU 27 1.416 3.898 -2.459 197 HD12 LEU 27 HD12 LEU 27 1.441 2.595 -3.648 198 HD13 LEU 27 HD13 LEU 27 -0.076 3.063 -2.883 199 HD21 LEU 27 HD21 LEU 27 2.018 5.988 -3.873 200 HD22 LEU 27 HD22 LEU 27 0.606 5.917 -2.826 201 HD23 LEU 27 HD23 LEU 27 0.462 6.582 -4.448 202 H CYS 28 HN CYS 28 -0.626 4.383 -6.644 203 HA CYS 28 HA CYS 28 -2.521 6.155 -5.983 204 HB2 CYS 28 HB2 CYS 28 -1.082 7.391 -8.186 205 HB3 CYS 28 HB1 CYS 28 -2.776 7.151 -8.585 206 H GLY 29 HN GLY 29 -4.556 5.434 -6.554 207 HA2 GLY 29 HA2 GLY 29 -6.044 3.765 -7.311 208 HA3 GLY 29 HA1 GLY 29 -5.452 4.266 -8.897 209 H SER 30 HN SER 30 -4.934 2.439 -10.022 210 HA SER 30 HA SER 30 -4.374 -0.098 -9.009 211 HB2 SER 30 HB2 SER 30 -4.109 1.216 -11.542 212 HB3 SER 30 HB1 SER 30 -2.634 0.301 -11.243 213 HG SER 30 HG SER 30 -3.810 -1.537 -11.051 214 H ASP 31 HN ASP 31 -2.125 2.622 -9.478 215 HA ASP 31 HA ASP 31 0.264 1.222 -8.806 216 HB2 ASP 31 HB2 ASP 31 -0.523 4.119 -8.482 217 HB3 ASP 31 HB1 ASP 31 1.072 3.519 -8.043 218 H LEU 32 HN LEU 32 -2.345 2.488 -6.822 219 HA LEU 32 HA LEU 32 -0.911 2.274 -4.320 220 HB2 LEU 32 HB2 LEU 32 -3.486 3.144 -5.115 221 HB3 LEU 32 HB1 LEU 32 -3.754 1.798 -4.008 222 HG LEU 32 HG LEU 32 -1.850 3.062 -2.616 223 HD11 LEU 32 HD11 LEU 32 -3.223 5.526 -3.394 224 HD12 LEU 32 HD12 LEU 32 -2.257 4.847 -4.704 225 HD13 LEU 32 HD13 LEU 32 -1.499 5.230 -3.160 226 HD21 LEU 32 HD21 LEU 32 -3.936 4.505 -1.721 227 HD22 LEU 32 HD22 LEU 32 -3.776 2.779 -1.401 228 HD23 LEU 32 HD23 LEU 32 -4.811 3.340 -2.715 229 H VAL 33 HN VAL 33 -3.409 0.152 -5.810 230 HA VAL 33 HA VAL 33 -3.061 -2.001 -3.993 231 HB VAL 33 HB VAL 33 -3.775 -3.468 -5.959 232 HG11 VAL 33 HG11 VAL 33 -6.055 -2.384 -6.059 233 HG12 VAL 33 HG12 VAL 33 -5.377 -1.049 -5.127 234 HG13 VAL 33 HG13 VAL 33 -5.432 -2.671 -4.435 235 HG21 VAL 33 HG21 VAL 33 -2.847 -2.035 -7.744 236 HG22 VAL 33 HG22 VAL 33 -3.982 -0.759 -7.305 237 HG23 VAL 33 HG23 VAL 33 -4.579 -2.282 -7.961 238 H GLU 34 HN GLU 34 -1.243 -1.035 -6.861 239 HA GLU 34 HA GLU 34 0.378 -3.357 -7.090 240 HB2 GLU 34 HB2 GLU 34 0.503 -0.545 -7.992 241 HB3 GLU 34 HB1 GLU 34 2.070 -1.331 -7.820 242 HG2 GLU 34 HG2 GLU 34 0.228 -3.155 -9.073 243 HG3 GLU 34 HG1 GLU 34 0.218 -1.624 -9.949 244 H ALA 35 HN ALA 35 1.186 -0.243 -5.468 245 HA ALA 35 HA ALA 35 3.497 -1.291 -4.145 246 HB1 ALA 35 HB1 ALA 35 2.645 1.188 -4.401 247 HB2 ALA 35 HB2 ALA 35 3.561 0.729 -2.966 248 HB3 ALA 35 HB3 ALA 35 1.804 0.855 -2.887 249 H LEU 36 HN LEU 36 0.117 -0.918 -3.087 250 HA LEU 36 HA LEU 36 0.368 -2.029 -0.481 251 HB2 LEU 36 HB2 LEU 36 -1.903 -2.041 -2.490 252 HB3 LEU 36 HB1 LEU 36 -2.077 -2.702 -0.869 253 HG LEU 36 HG LEU 36 -2.635 -0.120 -1.527 254 HD11 LEU 36 HD11 LEU 36 -1.473 -0.651 1.178 255 HD12 LEU 36 HD12 LEU 36 -2.868 -1.593 0.649 256 HD13 LEU 36 HD13 LEU 36 -2.974 0.166 0.742 257 HD21 LEU 36 HD21 LEU 36 0.225 -0.173 -0.509 258 HD22 LEU 36 HD22 LEU 36 -0.803 1.259 -0.474 259 HD23 LEU 36 HD23 LEU 36 -0.354 0.535 -2.018 260 H TYR 37 HN TYR 37 0.085 -3.454 -3.651 261 HA TYR 37 HA TYR 37 -0.352 -6.180 -2.808 262 HB2 TYR 37 HB2 TYR 37 0.489 -4.813 -5.356 263 HB3 TYR 37 HB1 TYR 37 0.585 -6.569 -5.234 264 HD1 TYR 37 HD1 TYR 37 -2.081 -5.028 -3.184 265 HD2 TYR 37 HD2 TYR 37 -1.235 -6.582 -7.123 266 HE1 TYR 37 HE1 TYR 37 -4.484 -5.175 -3.669 267 HE2 TYR 37 HE2 TYR 37 -3.640 -6.718 -7.575 268 HH TYR 37 HH TYR 37 -5.681 -6.568 -6.708 269 H LEU 38 HN LEU 38 2.462 -4.153 -3.069 270 HA LEU 38 HA LEU 38 4.342 -6.398 -3.202 271 HB2 LEU 38 HB2 LEU 38 5.293 -3.740 -2.259 272 HB3 LEU 38 HB1 LEU 38 6.011 -4.834 -3.440 273 HG LEU 38 HG LEU 38 3.596 -3.071 -3.880 274 HD11 LEU 38 HD11 LEU 38 5.314 -2.260 -5.729 275 HD12 LEU 38 HD12 LEU 38 6.496 -2.889 -4.582 276 HD13 LEU 38 HD13 LEU 38 5.383 -1.612 -4.090 277 HD21 LEU 38 HD21 LEU 38 3.631 -3.894 -6.170 278 HD22 LEU 38 HD22 LEU 38 3.493 -5.265 -5.070 279 HD23 LEU 38 HD23 LEU 38 5.045 -4.888 -5.819 280 H VAL 39 HN VAL 39 3.664 -3.879 -0.770 281 HA VAL 39 HA VAL 39 5.129 -4.892 1.366 282 HB VAL 39 HB VAL 39 3.742 -3.610 2.797 283 HG11 VAL 39 HG11 VAL 39 4.127 -1.665 1.724 284 HG12 VAL 39 HG12 VAL 39 2.872 -2.012 0.535 285 HG13 VAL 39 HG13 VAL 39 4.513 -2.609 0.285 286 HG21 VAL 39 HG21 VAL 39 1.623 -4.768 2.303 287 HG22 VAL 39 HG22 VAL 39 1.547 -3.975 0.729 288 HG23 VAL 39 HG23 VAL 39 1.405 -3.021 2.205 289 H CYS 40 HN CYS 40 2.053 -6.068 0.093 290 HA CYS 40 HA CYS 40 1.979 -8.115 2.246 291 HB2 CYS 40 HB2 CYS 40 -0.041 -6.834 0.534 292 HB3 CYS 40 HB1 CYS 40 -0.248 -8.578 0.708 293 H GLY 41 HN GLY 41 2.529 -7.720 -1.164 294 HA2 GLY 41 HA2 GLY 41 2.962 -9.311 -2.860 295 HA3 GLY 41 HA1 GLY 41 4.019 -9.984 -1.619 296 H GLU 42 HN GLU 42 0.533 -9.947 -2.446 297 HA GLU 42 HA GLU 42 -1.092 -11.620 -2.048 298 HB2 GLU 42 HB2 GLU 42 -0.414 -13.789 -3.159 299 HB3 GLU 42 HB1 GLU 42 -0.234 -12.354 -4.168 300 HG2 GLU 42 HG2 GLU 42 2.158 -12.260 -3.658 301 HG3 GLU 42 HG1 GLU 42 1.999 -13.641 -2.569 302 H ARG 43 HN ARG 43 0.803 -11.201 0.198 303 HA ARG 43 HA ARG 43 1.197 -13.930 1.261 304 HB2 ARG 43 HB2 ARG 43 2.926 -12.159 1.608 305 HB3 ARG 43 HB1 ARG 43 1.756 -11.252 2.567 306 HG2 ARG 43 HG2 ARG 43 1.627 -13.777 3.682 307 HG3 ARG 43 HG1 ARG 43 3.342 -13.603 3.307 308 HD2 ARG 43 HD2 ARG 43 2.815 -11.146 4.347 309 HD3 ARG 43 HD1 ARG 43 1.680 -12.135 5.267 310 HE ARG 43 HE ARG 43 4.205 -13.446 5.278 311 HH11 ARG 43 HH21 ARG 43 2.148 -11.869 7.290 312 HH12 ARG 43 HH22 ARG 43 3.352 -11.155 8.309 313 HH21 ARG 43 HH11 ARG 43 5.990 -11.972 6.214 314 HH22 ARG 43 HH12 ARG 43 5.527 -11.213 7.700 315 H GLY 44 HN GLY 44 -0.126 -14.844 2.805 316 HA2 GLY 44 HA2 GLY 44 -2.117 -15.136 4.026 317 HA3 GLY 44 HA1 GLY 44 -1.715 -13.561 4.712 318 H GLY 45 HN GLY 45 -3.072 -14.908 1.678 319 HA2 GLY 45 HA2 GLY 45 -5.022 -14.244 0.524 320 HA3 GLY 45 HA1 GLY 45 -5.417 -13.198 1.891 321 H PHE 46 HN PHE 46 -5.912 -12.035 -0.458 322 HA PHE 46 HA PHE 46 -3.579 -10.673 -1.536 323 HB2 PHE 46 HB2 PHE 46 -6.455 -10.837 -2.112 324 HB3 PHE 46 HB1 PHE 46 -5.694 -9.280 -2.528 325 HD1 PHE 46 HD1 PHE 46 -3.813 -12.590 -2.526 326 HD2 PHE 46 HD2 PHE 46 -5.655 -9.607 -5.061 327 HE1 PHE 46 HE1 PHE 46 -2.785 -13.591 -4.502 328 HE2 PHE 46 HE2 PHE 46 -4.603 -10.639 -7.008 329 HZ PHE 46 HZ PHE 46 -3.171 -12.631 -6.743 330 H TYR 47 HN TYR 47 -6.345 -8.637 -1.005 331 HA TYR 47 HA TYR 47 -4.708 -7.062 0.921 332 HB2 TYR 47 HB2 TYR 47 -6.663 -5.317 0.171 333 HB3 TYR 47 HB1 TYR 47 -5.076 -5.452 -0.630 334 HD1 TYR 47 HD2 TYR 47 -4.867 -7.059 -2.744 335 HD2 TYR 47 HD1 TYR 47 -8.741 -6.000 -1.128 336 HE1 TYR 47 HE2 TYR 47 -5.956 -7.780 -4.804 337 HE2 TYR 47 HE1 TYR 47 -9.785 -6.741 -3.207 338 HH TYR 47 HH TYR 47 -7.961 -7.492 -6.035 339 H THR 48 HN THR 48 -8.085 -6.381 0.552 340 HA THR 48 HA THR 48 -9.154 -8.087 2.555 341 HB THR 48 HB THR 48 -8.023 -5.460 3.516 342 HG1 THR 48 HG1 THR 48 -8.116 -8.002 4.748 343 HG21 THR 48 HG21 THR 48 -10.398 -6.991 4.564 344 HG22 THR 48 HG22 THR 48 -10.237 -5.255 4.298 345 HG23 THR 48 HG23 THR 48 -9.394 -6.023 5.644 346 H LYS 49 HN LYS 49 -9.262 -4.703 1.495 347 HA LYS 49 HA LYS 49 -11.082 -3.377 0.814 348 HB2 LYS 49 HB2 LYS 49 -10.989 -5.419 -0.863 349 HB3 LYS 49 HB1 LYS 49 -12.492 -5.875 -0.062 350 HG2 LYS 49 HG2 LYS 49 -13.624 -4.319 -1.225 351 HG3 LYS 49 HG1 LYS 49 -12.548 -3.057 -0.626 352 HD2 LYS 49 HD2 LYS 49 -12.142 -2.909 -2.910 353 HD3 LYS 49 HD1 LYS 49 -10.889 -4.055 -2.431 354 HE2 LYS 49 HE2 LYS 49 -11.844 -5.195 -4.215 355 HE3 LYS 49 HE1 LYS 49 -12.794 -5.838 -2.876 356 HZ1 LYS 49 HZ1 LYS 49 -13.859 -3.387 -3.887 357 HZ2 LYS 49 HZ2 LYS 49 -14.629 -4.883 -3.652 358 HZ3 LYS 49 HZ3 LYS 49 -13.776 -4.580 -5.090 359 HA PRO 50 HA PRO 50 -13.496 -4.614 4.530 360 HB2 PRO 50 HB2 PRO 50 -13.148 -2.220 5.832 361 HB3 PRO 50 HB1 PRO 50 -12.033 -3.590 5.979 362 HG2 PRO 50 HG2 PRO 50 -11.700 -1.049 4.451 363 HG3 PRO 50 HG1 PRO 50 -10.464 -2.104 5.157 364 HD2 PRO 50 HD2 PRO 50 -11.178 -2.011 2.427 365 HD3 PRO 50 HD1 PRO 50 -10.229 -3.292 3.208 366 H THR 51 HN THR 51 -15.289 -3.039 5.615 367 HA THR 51 HA THR 51 -16.677 -1.676 3.342 368 HB THR 51 HB THR 51 -18.724 -2.160 4.968 369 HG1 THR 51 HG1 THR 51 -17.586 -3.092 6.620 370 HG21 THR 51 HG21 THR 51 -19.315 -3.814 3.485 371 HG22 THR 51 HG22 THR 51 -17.741 -4.605 3.578 372 HG23 THR 51 HG23 THR 51 -17.940 -3.148 2.604 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -11.496 3.953 -1.276 2 H2 GLY 1 HT2 GLY 1 -10.212 3.158 -0.498 3 H3 GLY 1 HT3 GLY 1 -10.151 3.435 -2.173 4 HA2 GLY 1 HA1 GLY 1 -9.250 5.440 -1.783 5 HA3 GLY 1 HA2 GLY 1 -10.620 5.930 -0.742 6 H ILE 2 HN ILE 2 -7.781 3.660 -1.349 7 HA ILE 2 HA ILE 2 -6.347 4.640 1.039 8 HB ILE 2 HB ILE 2 -5.751 2.464 -0.984 9 HG12 ILE 2 HG12 ILE 2 -6.564 2.465 1.939 10 HG13 ILE 2 HG11 ILE 2 -7.516 1.876 0.575 11 HG21 ILE 2 HG21 ILE 2 -3.979 3.869 0.830 12 HG22 ILE 2 HG22 ILE 2 -3.595 2.617 -0.352 13 HG23 ILE 2 HG23 ILE 2 -4.103 2.168 1.276 14 HD11 ILE 2 HD11 ILE 2 -5.637 0.421 2.135 15 HD12 ILE 2 HD12 ILE 2 -4.937 0.609 0.527 16 HD13 ILE 2 HD13 ILE 2 -6.524 -0.138 0.716 17 H VAL 3 HN VAL 3 -6.290 4.997 -2.433 18 HA VAL 3 HA VAL 3 -3.626 5.857 -2.819 19 HB VAL 3 HB VAL 3 -4.354 6.779 -4.875 20 HG11 VAL 3 HG11 VAL 3 -6.603 4.854 -4.318 21 HG12 VAL 3 HG12 VAL 3 -4.933 4.292 -4.383 22 HG13 VAL 3 HG13 VAL 3 -5.663 5.054 -5.796 23 HG21 VAL 3 HG21 VAL 3 -5.943 8.413 -4.358 24 HG22 VAL 3 HG22 VAL 3 -6.889 7.318 -3.350 25 HG23 VAL 3 HG23 VAL 3 -6.952 7.176 -5.107 26 H GLU 4 HN GLU 4 -6.372 7.524 -1.457 27 HA GLU 4 HA GLU 4 -5.098 10.149 -1.507 28 HB2 GLU 4 HB2 GLU 4 -7.352 9.441 0.348 29 HB3 GLU 4 HB1 GLU 4 -7.062 10.943 -0.530 30 HG2 GLU 4 HG2 GLU 4 -7.293 9.080 -2.563 31 HG3 GLU 4 HG1 GLU 4 -8.492 8.534 -1.391 32 H GLN 5 HN GLN 5 -4.367 7.441 0.195 33 HA GLN 5 HA GLN 5 -3.717 8.935 2.693 34 HB2 GLN 5 HB2 GLN 5 -5.007 6.809 2.925 35 HB3 GLN 5 HB1 GLN 5 -3.657 5.945 2.187 36 HG2 GLN 5 HG2 GLN 5 -2.863 5.726 4.296 37 HG3 GLN 5 HG1 GLN 5 -2.417 7.428 4.163 38 HE21 GLN 5 HE21 GLN 5 -3.705 8.989 5.313 39 HE22 GLN 5 HE22 GLN 5 -4.932 8.538 6.396 40 H CYS 6 HN CYS 6 -2.288 6.795 0.223 41 HA CYS 6 HA CYS 6 0.394 7.588 1.240 42 HB2 CYS 6 HB2 CYS 6 -0.454 5.285 -0.529 43 HB3 CYS 6 HB1 CYS 6 1.222 5.657 -0.124 44 H CYS 7 HN CYS 7 -1.550 7.440 -1.740 45 HA CYS 7 HA CYS 7 0.459 8.443 -3.501 46 HB2 CYS 7 HB2 CYS 7 -2.051 7.641 -3.926 47 HB3 CYS 7 HB1 CYS 7 -2.369 9.373 -3.817 48 H THR 8 HN THR 8 -2.083 10.240 -1.702 49 HA THR 8 HA THR 8 -1.025 12.829 -2.360 50 HB THR 8 HB THR 8 -2.345 13.566 -0.317 51 HG1 THR 8 HG1 THR 8 -3.349 12.068 0.857 52 HG21 THR 8 HG21 THR 8 -4.050 13.716 -1.771 53 HG22 THR 8 HG22 THR 8 -4.372 11.988 -1.617 54 HG23 THR 8 HG23 THR 8 -3.216 12.567 -2.817 55 H SER 9 HN SER 9 -0.978 11.264 0.854 56 HA SER 9 HA SER 9 1.588 12.653 1.418 57 HB2 SER 9 HB2 SER 9 -0.528 11.334 3.094 58 HB3 SER 9 HB1 SER 9 1.104 11.484 3.739 59 HG SER 9 HG SER 9 -0.539 13.282 4.032 60 H ILE 10 HN ILE 10 3.505 11.462 1.745 61 HA ILE 10 HA ILE 10 3.511 8.763 0.630 62 HB ILE 10 HB ILE 10 5.843 10.074 2.016 63 HG12 ILE 10 HG12 ILE 10 4.328 11.290 -0.032 64 HG13 ILE 10 HG11 ILE 10 5.938 11.751 0.502 65 HG21 ILE 10 HG21 ILE 10 7.069 8.855 0.183 66 HG22 ILE 10 HG22 ILE 10 5.529 8.141 -0.296 67 HG23 ILE 10 HG23 ILE 10 6.202 7.797 1.297 68 HD11 ILE 10 HD11 ILE 10 6.981 10.448 -1.199 69 HD12 ILE 10 HD12 ILE 10 5.649 11.279 -2.001 70 HD13 ILE 10 HD13 ILE 10 5.488 9.580 -1.556 71 H CYS 11 HN CYS 11 2.899 7.052 1.877 72 HA CYS 11 HA CYS 11 3.009 7.157 4.796 73 HB2 CYS 11 HB2 CYS 11 2.541 4.702 3.088 74 HB3 CYS 11 HB1 CYS 11 2.025 4.970 4.750 75 H SER 12 HN SER 12 3.834 4.676 5.547 76 HA SER 12 HA SER 12 6.684 4.534 4.646 77 HB2 SER 12 HB2 SER 12 7.419 4.296 6.847 78 HB3 SER 12 HB1 SER 12 6.076 5.414 7.070 79 HG SER 12 HG SER 12 5.368 3.922 8.373 80 H LEU 13 HN LEU 13 7.457 2.421 4.269 81 HA LEU 13 HA LEU 13 5.765 0.424 3.396 82 HB2 LEU 13 HB2 LEU 13 8.529 0.598 3.971 83 HB3 LEU 13 HB1 LEU 13 7.947 -0.860 4.777 84 HG LEU 13 HG LEU 13 6.677 -1.239 2.482 85 HD11 LEU 13 HD11 LEU 13 8.726 0.857 1.915 86 HD12 LEU 13 HD12 LEU 13 7.166 0.573 1.144 87 HD13 LEU 13 HD13 LEU 13 8.551 -0.438 0.731 88 HD21 LEU 13 HD21 LEU 13 8.298 -2.815 3.316 89 HD22 LEU 13 HD22 LEU 13 9.630 -1.703 2.996 90 HD23 LEU 13 HD23 LEU 13 8.756 -2.441 1.654 91 H TYR 14 HN TYR 14 6.494 1.230 6.721 92 HA TYR 14 HA TYR 14 5.574 -1.187 7.946 93 HB2 TYR 14 HB2 TYR 14 6.801 0.579 9.181 94 HB3 TYR 14 HB1 TYR 14 5.422 1.667 8.982 95 HD1 TYR 14 HD1 TYR 14 6.275 -1.778 10.391 96 HD2 TYR 14 HD2 TYR 14 3.586 1.594 10.609 97 HE1 TYR 14 HE1 TYR 14 5.180 -2.756 12.356 98 HE2 TYR 14 HE2 TYR 14 2.509 0.586 12.570 99 HH TYR 14 HH TYR 14 2.396 -1.175 13.904 100 H GLN 15 HN GLN 15 3.829 1.924 7.586 101 HA GLN 15 HA GLN 15 1.276 0.944 8.299 102 HB2 GLN 15 HB2 GLN 15 1.760 3.061 6.190 103 HB3 GLN 15 HB1 GLN 15 0.381 2.919 7.281 104 HG2 GLN 15 HG2 GLN 15 2.191 3.103 9.168 105 HG3 GLN 15 HG1 GLN 15 3.188 3.803 7.891 106 HE21 GLN 15 HE21 GLN 15 2.941 6.018 7.610 107 HE22 GLN 15 HE22 GLN 15 1.590 6.921 8.100 108 H LEU 16 HN LEU 16 2.890 1.028 5.124 109 HA LEU 16 HA LEU 16 0.731 0.073 3.556 110 HB2 LEU 16 HB2 LEU 16 3.699 0.046 3.328 111 HB3 LEU 16 HB1 LEU 16 2.826 -1.113 2.326 112 HG LEU 16 HG LEU 16 1.308 1.024 1.825 113 HD11 LEU 16 HD11 LEU 16 2.926 2.297 3.453 114 HD12 LEU 16 HD12 LEU 16 2.416 3.082 1.958 115 HD13 LEU 16 HD13 LEU 16 4.007 2.329 2.061 116 HD21 LEU 16 HD21 LEU 16 2.308 1.031 -0.261 117 HD22 LEU 16 HD22 LEU 16 2.993 -0.465 0.376 118 HD23 LEU 16 HD23 LEU 16 3.941 1.022 0.407 119 H GLU 17 HN GLU 17 3.221 -1.739 5.364 120 HA GLU 17 HA GLU 17 2.460 -4.349 4.685 121 HB2 GLU 17 HB2 GLU 17 3.783 -3.042 6.983 122 HB3 GLU 17 HB1 GLU 17 3.024 -4.586 7.354 123 HG2 GLU 17 HG2 GLU 17 4.486 -5.772 6.057 124 HG3 GLU 17 HG1 GLU 17 4.591 -4.498 4.841 125 H ASN 18 HN ASN 18 0.812 -1.952 6.572 126 HA ASN 18 HA ASN 18 -0.990 -3.742 7.959 127 HB2 ASN 18 HB2 ASN 18 -0.456 -1.253 8.477 128 HB3 ASN 18 HB1 ASN 18 -1.646 -0.890 7.226 129 HD21 ASN 18 HD21 ASN 18 -3.661 -0.509 8.143 130 HD22 ASN 18 HD22 ASN 18 -4.292 -1.322 9.492 131 H TYR 19 HN TYR 19 -1.105 -1.974 4.876 132 HA TYR 19 HA TYR 19 -3.788 -2.390 4.166 133 HB2 TYR 19 HB2 TYR 19 -1.334 -2.631 2.377 134 HB3 TYR 19 HB1 TYR 19 -3.014 -2.422 1.802 135 HD1 TYR 19 HD2 TYR 19 -3.934 -0.432 4.125 136 HD2 TYR 19 HD1 TYR 19 -0.435 -0.387 1.583 137 HE1 TYR 19 HE2 TYR 19 -3.725 1.986 4.399 138 HE2 TYR 19 HE1 TYR 19 -0.268 2.028 1.879 139 HH TYR 19 HH TYR 19 -2.308 3.758 4.152 140 H CYS 20 HN CYS 20 -1.104 -4.668 4.196 141 HA CYS 20 HA CYS 20 -2.699 -6.773 2.900 142 HB2 CYS 20 HB2 CYS 20 0.108 -6.474 3.862 143 HB3 CYS 20 HB1 CYS 20 -0.555 -8.108 3.780 144 H ASN 21 HN ASN 21 -4.125 -5.988 5.060 145 HA ASN 21 HA ASN 21 -3.486 -7.965 7.205 146 HB2 ASN 21 HB2 ASN 21 -3.685 -5.601 7.931 147 HB3 ASN 21 HB1 ASN 21 -5.330 -5.558 7.295 148 HD21 ASN 21 HD21 ASN 21 -6.963 -6.209 8.718 149 HD22 ASN 21 HD22 ASN 21 -6.702 -7.058 10.164 150 H1 PHE 22 HT1 PHE 22 11.802 -0.312 -1.387 151 H2 PHE 22 HT2 PHE 22 11.798 1.203 -2.155 152 H3 PHE 22 HT3 PHE 22 10.337 0.377 -1.890 153 HA PHE 22 HA PHE 22 10.677 0.573 0.521 154 HB2 PHE 22 HB2 PHE 22 13.237 1.612 -0.483 155 HB3 PHE 22 HB1 PHE 22 12.496 2.641 0.742 156 HD1 PHE 22 HD2 PHE 22 11.198 0.984 2.613 157 HD2 PHE 22 HD1 PHE 22 14.810 0.150 0.435 158 HE1 PHE 22 HE2 PHE 22 11.892 -0.615 4.377 159 HE2 PHE 22 HE1 PHE 22 15.502 -1.451 2.202 160 HZ PHE 22 HZ PHE 22 14.043 -1.833 4.173 161 H VAL 23 HN VAL 23 10.874 3.225 1.413 162 HA VAL 23 HA VAL 23 8.518 4.381 0.112 163 HB VAL 23 HB VAL 23 9.169 6.319 1.827 164 HG11 VAL 23 HG11 VAL 23 8.267 3.869 3.220 165 HG12 VAL 23 HG12 VAL 23 7.351 4.320 1.781 166 HG13 VAL 23 HG13 VAL 23 7.509 5.456 3.120 167 HG21 VAL 23 HG21 VAL 23 10.458 5.607 3.684 168 HG22 VAL 23 HG22 VAL 23 11.388 5.095 2.275 169 HG23 VAL 23 HG23 VAL 23 10.420 3.921 3.167 170 H ASN 24 HN ASN 24 8.928 7.073 0.200 171 HA ASN 24 HA ASN 24 10.128 8.892 -0.752 172 HB2 ASN 24 HB2 ASN 24 12.203 7.285 -0.434 173 HB3 ASN 24 HB1 ASN 24 12.016 7.046 -2.172 174 HD21 ASN 24 HD21 ASN 24 12.923 8.639 -3.504 175 HD22 ASN 24 HD22 ASN 24 13.436 10.166 -2.967 176 H GLN 25 HN GLN 25 8.761 6.183 -2.242 177 HA GLN 25 HA GLN 25 8.696 7.548 -4.893 178 HB2 GLN 25 HB2 GLN 25 8.719 4.750 -4.031 179 HB3 GLN 25 HB1 GLN 25 7.436 5.090 -5.193 180 HG2 GLN 25 HG2 GLN 25 8.984 5.934 -6.805 181 HG3 GLN 25 HG1 GLN 25 10.287 6.004 -5.618 182 HE21 GLN 25 HE21 GLN 25 11.600 4.152 -5.415 183 HE22 GLN 25 HE22 GLN 25 11.266 2.663 -6.158 184 H HIS 26 HN HIS 26 6.697 8.095 -5.825 185 HA HIS 26 HA HIS 26 4.450 8.323 -3.904 186 HB2 HIS 26 HB2 HIS 26 5.467 9.947 -5.951 187 HB3 HIS 26 HB1 HIS 26 3.978 9.281 -6.622 188 HD2 HIS 26 HD2 HIS 26 2.334 11.492 -6.226 189 HE1 HIS 26 HE1 HIS 26 3.055 11.910 -2.082 190 HE2 HIS 26 HE2 HIS 26 1.685 12.771 -4.056 191 H LEU 27 HN LEU 27 2.223 7.533 -4.663 192 HA LEU 27 HA LEU 27 2.221 5.713 -6.960 193 HB2 LEU 27 HB2 LEU 27 1.398 3.819 -5.279 194 HB3 LEU 27 HB1 LEU 27 3.103 4.036 -5.671 195 HG LEU 27 HG LEU 27 3.431 5.382 -3.654 196 HD11 LEU 27 HD11 LEU 27 0.443 5.036 -3.417 197 HD12 LEU 27 HD12 LEU 27 1.384 6.525 -3.337 198 HD13 LEU 27 HD13 LEU 27 1.436 5.375 -2.001 199 HD21 LEU 27 HD21 LEU 27 2.250 2.652 -3.528 200 HD22 LEU 27 HD22 LEU 27 2.432 3.510 -1.998 201 HD23 LEU 27 HD23 LEU 27 3.842 3.213 -3.015 202 H CYS 28 HN CYS 28 0.208 5.417 -7.770 203 HA CYS 28 HA CYS 28 -2.138 6.018 -6.031 204 HB2 CYS 28 HB2 CYS 28 -1.302 7.363 -8.523 205 HB3 CYS 28 HB1 CYS 28 -2.976 6.812 -8.537 206 H GLY 29 HN GLY 29 -3.965 4.741 -6.491 207 HA2 GLY 29 HA2 GLY 29 -4.796 2.544 -6.954 208 HA3 GLY 29 HA1 GLY 29 -4.860 3.289 -8.547 209 H SER 30 HN SER 30 -3.566 2.470 -10.144 210 HA SER 30 HA SER 30 -2.524 -0.071 -10.139 211 HB2 SER 30 HB2 SER 30 -2.599 1.139 -12.209 212 HB3 SER 30 HB1 SER 30 -1.502 2.375 -11.601 213 HG SER 30 HG SER 30 0.157 0.945 -11.689 214 H ASP 31 HN ASP 31 -0.371 2.778 -9.747 215 HA ASP 31 HA ASP 31 1.918 1.371 -8.945 216 HB2 ASP 31 HB2 ASP 31 1.219 3.920 -7.519 217 HB3 ASP 31 HB1 ASP 31 2.776 3.391 -8.150 218 H LEU 32 HN LEU 32 -0.954 2.222 -7.082 219 HA LEU 32 HA LEU 32 0.047 1.577 -4.494 220 HB2 LEU 32 HB2 LEU 32 -2.480 2.224 -5.645 221 HB3 LEU 32 HB1 LEU 32 -2.688 0.742 -4.710 222 HG LEU 32 HG LEU 32 -1.326 1.988 -2.872 223 HD11 LEU 32 HD11 LEU 32 -1.320 4.357 -2.948 224 HD12 LEU 32 HD12 LEU 32 -2.464 4.400 -4.289 225 HD13 LEU 32 HD13 LEU 32 -0.805 3.868 -4.562 226 HD21 LEU 32 HD21 LEU 32 -3.416 1.804 -2.033 227 HD22 LEU 32 HD22 LEU 32 -4.144 2.024 -3.624 228 HD23 LEU 32 HD23 LEU 32 -3.708 3.430 -2.652 229 H VAL 33 HN VAL 33 -2.087 -0.512 -6.499 230 HA VAL 33 HA VAL 33 -1.682 -2.892 -5.073 231 HB VAL 33 HB VAL 33 -2.184 -4.084 -7.193 232 HG11 VAL 33 HG11 VAL 33 -3.869 -1.587 -7.157 233 HG12 VAL 33 HG12 VAL 33 -3.919 -2.726 -5.811 234 HG13 VAL 33 HG13 VAL 33 -4.372 -3.254 -7.431 235 HG21 VAL 33 HG21 VAL 33 -2.233 -2.979 -9.290 236 HG22 VAL 33 HG22 VAL 33 -0.740 -2.415 -8.538 237 HG23 VAL 33 HG23 VAL 33 -2.170 -1.382 -8.543 238 H GLU 34 HN GLU 34 0.428 -1.257 -7.352 239 HA GLU 34 HA GLU 34 2.305 -3.446 -7.635 240 HB2 GLU 34 HB2 GLU 34 2.124 -0.610 -8.456 241 HB3 GLU 34 HB1 GLU 34 3.764 -1.190 -8.170 242 HG2 GLU 34 HG2 GLU 34 3.356 -3.094 -9.692 243 HG3 GLU 34 HG1 GLU 34 1.720 -2.502 -9.986 244 H ALA 35 HN ALA 35 2.540 -0.314 -5.894 245 HA ALA 35 HA ALA 35 4.869 -1.035 -4.410 246 HB1 ALA 35 HB1 ALA 35 2.682 0.814 -3.421 247 HB2 ALA 35 HB2 ALA 35 3.839 1.297 -4.662 248 HB3 ALA 35 HB3 ALA 35 4.403 0.879 -3.044 249 H LEU 36 HN LEU 36 1.406 -1.351 -3.725 250 HA LEU 36 HA LEU 36 1.588 -2.392 -1.084 251 HB2 LEU 36 HB2 LEU 36 -0.405 -2.537 -3.315 252 HB3 LEU 36 HB1 LEU 36 -0.600 -3.647 -1.961 253 HG LEU 36 HG LEU 36 -1.787 -1.347 -1.831 254 HD11 LEU 36 HD11 LEU 36 -1.689 -1.433 0.506 255 HD12 LEU 36 HD12 LEU 36 0.006 -1.918 0.516 256 HD13 LEU 36 HD13 LEU 36 -1.239 -3.072 0.036 257 HD21 LEU 36 HD21 LEU 36 0.503 -0.237 -2.488 258 HD22 LEU 36 HD22 LEU 36 0.864 -0.404 -0.770 259 HD23 LEU 36 HD23 LEU 36 -0.527 0.548 -1.290 260 H TYR 37 HN TYR 37 2.046 -3.830 -4.229 261 HA TYR 37 HA TYR 37 2.065 -6.581 -3.249 262 HB2 TYR 37 HB2 TYR 37 1.355 -6.215 -5.516 263 HB3 TYR 37 HB1 TYR 37 2.819 -5.298 -5.886 264 HD1 TYR 37 HD1 TYR 37 1.563 -8.777 -5.069 265 HD2 TYR 37 HD2 TYR 37 4.964 -6.479 -6.412 266 HE1 TYR 37 HE1 TYR 37 2.739 -10.840 -5.683 267 HE2 TYR 37 HE2 TYR 37 6.109 -8.561 -7.020 268 HH TYR 37 HH TYR 37 4.676 -11.730 -6.332 269 H LEU 38 HN LEU 38 4.324 -4.023 -3.293 270 HA LEU 38 HA LEU 38 6.654 -5.847 -3.340 271 HB2 LEU 38 HB2 LEU 38 7.083 -3.019 -2.580 272 HB3 LEU 38 HB1 LEU 38 7.958 -4.018 -3.739 273 HG LEU 38 HG LEU 38 5.237 -2.782 -4.192 274 HD11 LEU 38 HD11 LEU 38 6.480 -1.421 -5.886 275 HD12 LEU 38 HD12 LEU 38 7.985 -2.102 -5.269 276 HD13 LEU 38 HD13 LEU 38 6.983 -1.088 -4.229 277 HD21 LEU 38 HD21 LEU 38 5.204 -4.670 -5.541 278 HD22 LEU 38 HD22 LEU 38 6.956 -4.675 -5.747 279 HD23 LEU 38 HD23 LEU 38 5.968 -3.504 -6.621 280 H VAL 39 HN VAL 39 5.068 -3.554 -1.126 281 HA VAL 39 HA VAL 39 6.739 -4.121 1.126 282 HB VAL 39 HB VAL 39 5.159 -2.904 2.405 283 HG11 VAL 39 HG11 VAL 39 5.081 -0.954 1.197 284 HG12 VAL 39 HG12 VAL 39 4.381 -1.738 -0.219 285 HG13 VAL 39 HG13 VAL 39 6.109 -1.878 0.101 286 HG21 VAL 39 HG21 VAL 39 3.071 -3.840 2.260 287 HG22 VAL 39 HG22 VAL 39 3.228 -4.168 0.534 288 HG23 VAL 39 HG23 VAL 39 2.818 -2.545 1.090 289 H CYS 40 HN CYS 40 4.149 -5.875 -0.367 290 HA CYS 40 HA CYS 40 3.923 -7.655 2.006 291 HB2 CYS 40 HB2 CYS 40 2.258 -7.557 -0.523 292 HB3 CYS 40 HB1 CYS 40 1.960 -8.604 0.861 293 H GLY 41 HN GLY 41 4.645 -7.683 -1.447 294 HA2 GLY 41 HA2 GLY 41 6.144 -9.101 -2.606 295 HA3 GLY 41 HA1 GLY 41 6.469 -9.937 -1.087 296 H GLU 42 HN GLU 42 4.016 -10.857 -0.317 297 HA GLU 42 HA GLU 42 2.440 -12.007 -2.423 298 HB2 GLU 42 HB2 GLU 42 3.246 -14.414 -1.962 299 HB3 GLU 42 HB1 GLU 42 4.261 -13.405 -2.993 300 HG2 GLU 42 HG2 GLU 42 5.751 -12.909 -1.148 301 HG3 GLU 42 HG1 GLU 42 4.679 -13.726 -0.009 302 H ARG 43 HN ARG 43 2.120 -10.763 0.195 303 HA ARG 43 HA ARG 43 1.559 -12.386 2.355 304 HB2 ARG 43 HB2 ARG 43 0.125 -10.718 3.136 305 HB3 ARG 43 HB1 ARG 43 1.087 -9.829 1.960 306 HG2 ARG 43 HG2 ARG 43 -1.595 -11.098 1.327 307 HG3 ARG 43 HG1 ARG 43 -1.390 -9.410 1.784 308 HD2 ARG 43 HD2 ARG 43 -0.781 -8.860 -0.310 309 HD3 ARG 43 HD1 ARG 43 0.475 -10.094 -0.313 310 HE ARG 43 HE ARG 43 -2.278 -11.051 -0.780 311 HH11 ARG 43 HH21 ARG 43 -1.440 -9.303 -3.073 312 HH12 ARG 43 HH22 ARG 43 -0.668 -10.439 -4.128 313 HH21 ARG 43 HH11 ARG 43 -0.316 -12.874 -1.686 314 HH22 ARG 43 HH12 ARG 43 -0.035 -12.459 -3.344 315 H GLY 44 HN GLY 44 -0.245 -13.666 3.024 316 HA2 GLY 44 HA2 GLY 44 -1.475 -15.192 0.884 317 HA3 GLY 44 HA1 GLY 44 -1.804 -15.386 2.607 318 H GLY 45 HN GLY 45 -2.406 -12.451 2.837 319 HA2 GLY 45 HA2 GLY 45 -5.100 -12.505 1.532 320 HA3 GLY 45 HA1 GLY 45 -4.831 -11.848 3.148 321 H PHE 46 HN PHE 46 -4.793 -11.146 -0.208 322 HA PHE 46 HA PHE 46 -3.069 -8.824 -0.106 323 HB2 PHE 46 HB2 PHE 46 -3.726 -8.403 -2.337 324 HB3 PHE 46 HB1 PHE 46 -3.749 -10.183 -2.178 325 HD1 PHE 46 HD2 PHE 46 -6.438 -10.242 -0.381 326 HD2 PHE 46 HD1 PHE 46 -5.549 -8.309 -4.149 327 HE1 PHE 46 HE2 PHE 46 -8.803 -10.260 -0.982 328 HE2 PHE 46 HE1 PHE 46 -7.926 -8.352 -4.709 329 HZ PHE 46 HZ PHE 46 -9.562 -9.322 -3.135 330 H TYR 47 HN TYR 47 -4.809 -6.941 -1.431 331 HA TYR 47 HA TYR 47 -5.700 -5.324 0.606 332 HB2 TYR 47 HB2 TYR 47 -7.556 -5.433 -1.678 333 HB3 TYR 47 HB1 TYR 47 -6.752 -4.037 -0.935 334 HD1 TYR 47 HD2 TYR 47 -3.903 -4.267 -1.167 335 HD2 TYR 47 HD1 TYR 47 -6.748 -5.931 -3.970 336 HE1 TYR 47 HE2 TYR 47 -2.193 -4.323 -2.911 337 HE2 TYR 47 HE1 TYR 47 -5.009 -5.964 -5.683 338 HH TYR 47 HH TYR 47 -2.606 -6.000 -5.862 339 H THR 48 HN THR 48 -8.007 -7.248 -1.247 340 HA THR 48 HA THR 48 -9.865 -8.508 -0.582 341 HB THR 48 HB THR 48 -8.537 -8.144 2.098 342 HG1 THR 48 HG1 THR 48 -7.668 -9.798 1.060 343 HG21 THR 48 HG21 THR 48 -11.299 -9.155 1.489 344 HG22 THR 48 HG22 THR 48 -10.781 -8.068 2.777 345 HG23 THR 48 HG23 THR 48 -10.388 -9.785 2.862 346 H LYS 49 HN LYS 49 -9.284 -5.309 0.270 347 HA LYS 49 HA LYS 49 -10.701 -3.524 0.842 348 HB2 LYS 49 HB2 LYS 49 -11.737 -4.648 -1.317 349 HB3 LYS 49 HB1 LYS 49 -13.015 -5.125 -0.198 350 HG2 LYS 49 HG2 LYS 49 -13.440 -2.830 0.410 351 HG3 LYS 49 HG1 LYS 49 -12.022 -2.278 -0.481 352 HD2 LYS 49 HD2 LYS 49 -13.930 -1.835 -1.874 353 HD3 LYS 49 HD1 LYS 49 -13.099 -3.225 -2.575 354 HE2 LYS 49 HE2 LYS 49 -15.302 -3.985 -2.560 355 HE3 LYS 49 HE1 LYS 49 -14.720 -4.602 -1.013 356 HZ1 LYS 49 HZ1 LYS 49 -16.657 -3.555 -0.413 357 HZ2 LYS 49 HZ2 LYS 49 -16.484 -2.313 -1.559 358 HZ3 LYS 49 HZ3 LYS 49 -15.530 -2.314 -0.153 359 HA PRO 50 HA PRO 50 -12.199 -5.531 4.636 360 HB2 PRO 50 HB2 PRO 50 -11.190 -3.584 6.292 361 HB3 PRO 50 HB1 PRO 50 -10.257 -4.986 5.740 362 HG2 PRO 50 HG2 PRO 50 -10.088 -2.146 4.843 363 HG3 PRO 50 HG1 PRO 50 -8.839 -3.402 4.836 364 HD2 PRO 50 HD2 PRO 50 -10.327 -2.550 2.592 365 HD3 PRO 50 HD1 PRO 50 -9.347 -4.029 2.690 366 H THR 51 HN THR 51 -13.998 -4.907 5.953 367 HA THR 51 HA THR 51 -15.973 -3.740 6.436 368 HB THR 51 HB THR 51 -14.840 -1.116 5.659 369 HG1 THR 51 HG1 THR 51 -13.559 -1.385 7.739 370 HG21 THR 51 HG21 THR 51 -15.454 -0.887 8.234 371 HG22 THR 51 HG22 THR 51 -16.357 -2.367 7.911 372 HG23 THR 51 HG23 THR 51 -16.713 -0.900 6.999 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -10.050 5.244 -2.586 2 H2 GLY 1 HT2 GLY 1 -11.419 6.234 -2.769 3 H3 GLY 1 HT3 GLY 1 -11.097 5.497 -1.272 4 HA2 GLY 1 HA1 GLY 1 -9.200 7.400 -2.380 5 HA3 GLY 1 HA2 GLY 1 -10.603 8.005 -1.446 6 H ILE 2 HN ILE 2 -7.844 5.666 -2.141 7 HA ILE 2 HA ILE 2 -6.658 6.205 0.533 8 HB ILE 2 HB ILE 2 -6.737 3.909 -1.276 9 HG12 ILE 2 HG12 ILE 2 -5.751 4.103 1.576 10 HG13 ILE 2 HG11 ILE 2 -7.464 4.121 1.155 11 HG21 ILE 2 HG21 ILE 2 -4.430 4.486 -1.810 12 HG22 ILE 2 HG22 ILE 2 -4.434 3.102 -0.718 13 HG23 ILE 2 HG23 ILE 2 -4.056 4.710 -0.101 14 HD11 ILE 2 HD11 ILE 2 -6.965 1.960 -0.169 15 HD12 ILE 2 HD12 ILE 2 -7.007 1.843 1.590 16 HD13 ILE 2 HD13 ILE 2 -5.460 1.905 0.747 17 H VAL 3 HN VAL 3 -6.136 6.708 -2.885 18 HA VAL 3 HA VAL 3 -3.407 7.259 -3.050 19 HB VAL 3 HB VAL 3 -3.873 8.545 -4.958 20 HG11 VAL 3 HG11 VAL 3 -6.600 7.351 -4.823 21 HG12 VAL 3 HG12 VAL 3 -5.228 6.255 -4.670 22 HG13 VAL 3 HG13 VAL 3 -5.396 7.261 -6.109 23 HG21 VAL 3 HG21 VAL 3 -5.017 10.408 -3.931 24 HG22 VAL 3 HG22 VAL 3 -6.406 9.400 -3.524 25 HG23 VAL 3 HG23 VAL 3 -6.064 9.793 -5.210 26 H GLU 4 HN GLU 4 -5.894 9.046 -1.456 27 HA GLU 4 HA GLU 4 -4.646 11.551 -1.068 28 HB2 GLU 4 HB2 GLU 4 -6.040 10.567 1.334 29 HB3 GLU 4 HB1 GLU 4 -6.360 12.000 0.361 30 HG2 GLU 4 HG2 GLU 4 -7.420 10.500 -1.367 31 HG3 GLU 4 HG1 GLU 4 -7.240 9.160 -0.234 32 H GLN 5 HN GLN 5 -3.826 8.465 0.204 33 HA GLN 5 HA GLN 5 -2.127 9.678 2.322 34 HB2 GLN 5 HB2 GLN 5 -3.656 7.351 2.250 35 HB3 GLN 5 HB1 GLN 5 -2.001 6.772 2.057 36 HG2 GLN 5 HG2 GLN 5 -1.676 7.059 4.263 37 HG3 GLN 5 HG1 GLN 5 -1.924 8.791 4.046 38 HE21 GLN 5 HE21 GLN 5 -4.263 6.061 3.751 39 HE22 GLN 5 HE22 GLN 5 -5.345 6.672 4.908 40 H CYS 6 HN CYS 6 -1.556 6.844 0.236 41 HA CYS 6 HA CYS 6 1.212 7.834 -0.191 42 HB2 CYS 6 HB2 CYS 6 0.104 5.148 -1.023 43 HB3 CYS 6 HB1 CYS 6 1.788 5.592 -0.737 44 H CYS 7 HN CYS 7 0.975 9.341 -1.836 45 HA CYS 7 HA CYS 7 1.130 8.682 -4.502 46 HB2 CYS 7 HB2 CYS 7 -1.031 7.615 -4.512 47 HB3 CYS 7 HB1 CYS 7 -1.762 8.943 -3.622 48 H THR 8 HN THR 8 -0.355 10.801 -2.139 49 HA THR 8 HA THR 8 0.346 13.180 -3.799 50 HB THR 8 HB THR 8 -1.043 14.131 -1.614 51 HG1 THR 8 HG1 THR 8 -2.445 11.842 -2.436 52 HG21 THR 8 HG21 THR 8 -2.830 13.290 -3.757 53 HG22 THR 8 HG22 THR 8 -1.336 13.989 -4.382 54 HG23 THR 8 HG23 THR 8 -2.349 14.917 -3.275 55 H SER 9 HN SER 9 1.551 11.250 -1.383 56 HA SER 9 HA SER 9 3.524 13.268 -0.591 57 HB2 SER 9 HB2 SER 9 1.351 12.342 1.211 58 HB3 SER 9 HB1 SER 9 2.971 12.346 1.900 59 HG SER 9 HG SER 9 1.696 14.359 2.046 60 H ILE 10 HN ILE 10 4.892 11.937 1.333 61 HA ILE 10 HA ILE 10 5.665 9.445 -0.070 62 HB ILE 10 HB ILE 10 6.990 10.747 2.324 63 HG12 ILE 10 HG12 ILE 10 6.797 12.262 0.315 64 HG13 ILE 10 HG11 ILE 10 8.461 11.863 0.750 65 HG21 ILE 10 HG21 ILE 10 8.365 8.968 2.216 66 HG22 ILE 10 HG22 ILE 10 8.754 9.371 0.543 67 HG23 ILE 10 HG23 ILE 10 7.398 8.301 0.900 68 HD11 ILE 10 HD11 ILE 10 6.998 10.136 -1.225 69 HD12 ILE 10 HD12 ILE 10 8.731 10.423 -1.067 70 HD13 ILE 10 HD13 ILE 10 7.690 11.668 -1.759 71 H CYS 11 HN CYS 11 5.519 7.404 0.883 72 HA CYS 11 HA CYS 11 4.058 7.303 3.496 73 HB2 CYS 11 HB2 CYS 11 3.661 5.894 0.921 74 HB3 CYS 11 HB1 CYS 11 3.540 4.885 2.361 75 H SER 12 HN SER 12 4.302 4.659 4.074 76 HA SER 12 HA SER 12 7.167 3.933 3.887 77 HB2 SER 12 HB2 SER 12 7.539 3.868 6.218 78 HB3 SER 12 HB1 SER 12 6.664 5.378 5.987 79 HG SER 12 HG SER 12 5.164 4.584 7.209 80 H LEU 13 HN LEU 13 7.477 1.679 4.075 81 HA LEU 13 HA LEU 13 5.514 -0.087 3.263 82 HB2 LEU 13 HB2 LEU 13 7.922 -0.664 3.527 83 HB3 LEU 13 HB1 LEU 13 7.690 -0.737 5.274 84 HG LEU 13 HG LEU 13 5.647 -2.317 4.033 85 HD11 LEU 13 HD11 LEU 13 8.365 -2.519 2.831 86 HD12 LEU 13 HD12 LEU 13 6.792 -2.893 2.126 87 HD13 LEU 13 HD13 LEU 13 7.560 -4.037 3.228 88 HD21 LEU 13 HD21 LEU 13 7.930 -3.680 5.319 89 HD22 LEU 13 HD22 LEU 13 6.220 -3.706 5.747 90 HD23 LEU 13 HD23 LEU 13 7.241 -2.368 6.273 91 H TYR 14 HN TYR 14 5.944 1.246 6.474 92 HA TYR 14 HA TYR 14 4.346 -0.637 7.918 93 HB2 TYR 14 HB2 TYR 14 5.447 2.056 8.360 94 HB3 TYR 14 HB1 TYR 14 3.903 1.791 9.180 95 HD1 TYR 14 HD2 TYR 14 3.670 -0.144 10.876 96 HD2 TYR 14 HD1 TYR 14 7.487 0.748 9.064 97 HE1 TYR 14 HE2 TYR 14 4.812 -1.501 12.571 98 HE2 TYR 14 HE1 TYR 14 8.598 -0.614 10.775 99 HH TYR 14 HH TYR 14 7.996 -1.337 13.236 100 H GLN 15 HN GLN 15 3.444 2.543 6.526 101 HA GLN 15 HA GLN 15 0.675 2.369 7.130 102 HB2 GLN 15 HB2 GLN 15 1.837 3.672 4.655 103 HB3 GLN 15 HB1 GLN 15 0.354 4.110 5.502 104 HG2 GLN 15 HG2 GLN 15 2.055 4.382 7.548 105 HG3 GLN 15 HG1 GLN 15 3.192 4.673 6.231 106 HE21 GLN 15 HE21 GLN 15 -0.227 5.630 6.951 107 HE22 GLN 15 HE22 GLN 15 -0.005 7.260 6.537 108 H LEU 16 HN LEU 16 2.543 0.990 4.463 109 HA LEU 16 HA LEU 16 0.255 0.233 2.883 110 HB2 LEU 16 HB2 LEU 16 3.116 -0.731 2.986 111 HB3 LEU 16 HB1 LEU 16 1.928 -1.475 1.914 112 HG LEU 16 HG LEU 16 1.422 1.009 1.214 113 HD11 LEU 16 HD11 LEU 16 3.792 1.228 2.913 114 HD12 LEU 16 HD12 LEU 16 2.720 2.494 2.316 115 HD13 LEU 16 HD13 LEU 16 4.046 1.914 1.308 116 HD21 LEU 16 HD21 LEU 16 4.076 0.142 0.190 117 HD22 LEU 16 HD22 LEU 16 2.607 0.552 -0.696 118 HD23 LEU 16 HD23 LEU 16 2.767 -1.033 0.060 119 H GLU 17 HN GLU 17 2.019 -1.310 5.524 120 HA GLU 17 HA GLU 17 0.814 -3.886 5.331 121 HB2 GLU 17 HB2 GLU 17 2.265 -2.326 7.379 122 HB3 GLU 17 HB1 GLU 17 1.147 -3.522 8.029 123 HG2 GLU 17 HG2 GLU 17 2.402 -4.884 5.960 124 HG3 GLU 17 HG1 GLU 17 3.702 -3.921 6.662 125 H ASN 18 HN ASN 18 -0.394 -0.798 6.318 126 HA ASN 18 HA ASN 18 -2.623 -1.793 7.891 127 HB2 ASN 18 HB2 ASN 18 -1.954 0.873 6.641 128 HB3 ASN 18 HB1 ASN 18 -3.509 0.591 7.422 129 HD21 ASN 18 HD21 ASN 18 0.004 0.726 8.024 130 HD22 ASN 18 HD22 ASN 18 -0.125 0.876 9.709 131 H TYR 19 HN TYR 19 -2.148 -0.872 4.484 132 HA TYR 19 HA TYR 19 -4.937 -1.072 3.774 133 HB2 TYR 19 HB2 TYR 19 -2.722 -1.718 1.832 134 HB3 TYR 19 HB1 TYR 19 -4.259 -0.849 1.543 135 HD1 TYR 19 HD2 TYR 19 -3.920 0.904 4.287 136 HD2 TYR 19 HD1 TYR 19 -1.314 0.265 0.902 137 HE1 TYR 19 HE2 TYR 19 -2.795 3.028 4.711 138 HE2 TYR 19 HE1 TYR 19 -0.219 2.395 1.355 139 HH TYR 19 HH TYR 19 -1.288 4.484 4.032 140 H CYS 20 HN CYS 20 -2.568 -3.420 4.540 141 HA CYS 20 HA CYS 20 -4.114 -5.548 3.136 142 HB2 CYS 20 HB2 CYS 20 -1.296 -5.294 4.102 143 HB3 CYS 20 HB1 CYS 20 -2.017 -6.904 4.072 144 H ASN 21 HN ASN 21 -5.483 -4.552 5.252 145 HA ASN 21 HA ASN 21 -4.961 -5.550 7.827 146 HB2 ASN 21 HB2 ASN 21 -6.923 -4.063 6.894 147 HB3 ASN 21 HB1 ASN 21 -7.758 -5.610 6.736 148 HD21 ASN 21 HD21 ASN 21 -9.234 -4.809 8.500 149 HD22 ASN 21 HD22 ASN 21 -8.721 -4.910 10.115 150 H1 PHE 22 HT1 PHE 22 15.641 -0.333 3.120 151 H2 PHE 22 HT2 PHE 22 14.935 1.156 2.710 152 H3 PHE 22 HT3 PHE 22 15.291 0.020 1.499 153 HA PHE 22 HA PHE 22 13.639 -1.483 2.334 154 HB2 PHE 22 HB2 PHE 22 13.950 0.146 4.677 155 HB3 PHE 22 HB1 PHE 22 12.257 0.172 4.181 156 HD1 PHE 22 HD1 PHE 22 15.074 -2.301 4.407 157 HD2 PHE 22 HD2 PHE 22 10.897 -1.510 5.028 158 HE1 PHE 22 HE1 PHE 22 14.774 -4.593 5.303 159 HE2 PHE 22 HE2 PHE 22 10.595 -3.803 5.926 160 HZ PHE 22 HZ PHE 22 12.535 -5.346 6.062 161 H VAL 23 HN VAL 23 13.312 2.034 2.436 162 HA VAL 23 HA VAL 23 11.551 1.940 0.087 163 HB VAL 23 HB VAL 23 10.031 3.608 1.612 164 HG11 VAL 23 HG11 VAL 23 9.777 1.162 0.304 165 HG12 VAL 23 HG12 VAL 23 8.462 2.139 0.959 166 HG13 VAL 23 HG13 VAL 23 9.172 0.849 1.930 167 HG21 VAL 23 HG21 VAL 23 9.830 2.899 3.813 168 HG22 VAL 23 HG22 VAL 23 11.562 2.676 3.558 169 HG23 VAL 23 HG23 VAL 23 10.471 1.292 3.462 170 H ASN 24 HN ASN 24 10.847 4.267 -0.423 171 HA ASN 24 HA ASN 24 11.798 6.649 0.414 172 HB2 ASN 24 HB2 ASN 24 14.026 6.915 -0.787 173 HB3 ASN 24 HB1 ASN 24 14.063 5.935 0.674 174 HD21 ASN 24 HD21 ASN 24 16.100 5.507 -1.169 175 HD22 ASN 24 HD22 ASN 24 15.866 4.030 -1.974 176 H GLN 25 HN GLN 25 9.802 5.847 -1.251 177 HA GLN 25 HA GLN 25 10.371 7.444 -3.657 178 HB2 GLN 25 HB2 GLN 25 10.165 4.512 -3.683 179 HB3 GLN 25 HB1 GLN 25 9.054 5.304 -4.802 180 HG2 GLN 25 HG2 GLN 25 10.734 5.854 -6.198 181 HG3 GLN 25 HG1 GLN 25 11.669 6.562 -4.881 182 HE21 GLN 25 HE21 GLN 25 13.168 5.133 -3.705 183 HE22 GLN 25 HE22 GLN 25 13.653 3.646 -4.366 184 H HIS 26 HN HIS 26 8.430 8.195 -4.662 185 HA HIS 26 HA HIS 26 6.193 8.478 -2.848 186 HB2 HIS 26 HB2 HIS 26 7.131 9.903 -5.002 187 HB3 HIS 26 HB1 HIS 26 5.715 9.103 -5.687 188 HD2 HIS 26 HD2 HIS 26 3.307 10.225 -4.960 189 HE1 HIS 26 HE1 HIS 26 4.783 12.722 -1.884 190 HE2 HIS 26 HE2 HIS 26 2.724 12.097 -3.254 191 H LEU 27 HN LEU 27 3.988 8.287 -4.509 192 HA LEU 27 HA LEU 27 3.865 5.598 -5.691 193 HB2 LEU 27 HB2 LEU 27 2.755 6.278 -3.004 194 HB3 LEU 27 HB1 LEU 27 1.734 5.314 -4.070 195 HG LEU 27 HG LEU 27 4.553 4.453 -3.959 196 HD11 LEU 27 HD11 LEU 27 4.621 3.713 -1.762 197 HD12 LEU 27 HD12 LEU 27 2.864 3.671 -1.614 198 HD13 LEU 27 HD13 LEU 27 3.718 5.213 -1.552 199 HD21 LEU 27 HD21 LEU 27 2.231 3.426 -4.900 200 HD22 LEU 27 HD22 LEU 27 2.264 2.681 -3.301 201 HD23 LEU 27 HD23 LEU 27 3.600 2.421 -4.423 202 H CYS 28 HN CYS 28 1.175 5.316 -5.955 203 HA CYS 28 HA CYS 28 -0.695 7.190 -6.263 204 HB2 CYS 28 HB2 CYS 28 1.538 7.915 -8.093 205 HB3 CYS 28 HB1 CYS 28 -0.091 8.054 -8.744 206 H GLY 29 HN GLY 29 -2.402 6.431 -7.432 207 HA2 GLY 29 HA2 GLY 29 -3.600 4.641 -8.424 208 HA3 GLY 29 HA1 GLY 29 -2.675 5.190 -9.817 209 H SER 30 HN SER 30 -1.837 3.463 -10.845 210 HA SER 30 HA SER 30 -1.595 0.853 -10.018 211 HB2 SER 30 HB2 SER 30 -0.016 2.516 -11.928 212 HB3 SER 30 HB1 SER 30 0.624 0.929 -11.508 213 HG SER 30 HG SER 30 -1.325 1.518 -13.196 214 H ASP 31 HN ASP 31 1.027 3.278 -9.688 215 HA ASP 31 HA ASP 31 2.935 1.765 -8.371 216 HB2 ASP 31 HB2 ASP 31 2.065 4.595 -7.707 217 HB3 ASP 31 HB1 ASP 31 3.565 3.854 -7.149 218 H LEU 32 HN LEU 32 -0.141 2.914 -7.098 219 HA LEU 32 HA LEU 32 0.469 2.215 -4.343 220 HB2 LEU 32 HB2 LEU 32 -1.866 3.224 -5.833 221 HB3 LEU 32 HB1 LEU 32 -2.272 2.158 -4.489 222 HG LEU 32 HG LEU 32 -0.304 3.754 -3.403 223 HD11 LEU 32 HD11 LEU 32 -1.340 5.077 -5.732 224 HD12 LEU 32 HD12 LEU 32 -0.146 5.665 -4.575 225 HD13 LEU 32 HD13 LEU 32 -1.862 5.957 -4.296 226 HD21 LEU 32 HD21 LEU 32 -2.446 3.097 -2.356 227 HD22 LEU 32 HD22 LEU 32 -3.308 4.209 -3.420 228 HD23 LEU 32 HD23 LEU 32 -2.188 4.837 -2.211 229 H VAL 33 HN VAL 33 -2.177 0.838 -6.284 230 HA VAL 33 HA VAL 33 -2.487 -1.561 -4.963 231 HB VAL 33 HB VAL 33 -3.379 -2.509 -7.001 232 HG11 VAL 33 HG11 VAL 33 -5.072 -1.025 -7.041 233 HG12 VAL 33 HG12 VAL 33 -4.045 0.219 -7.755 234 HG13 VAL 33 HG13 VAL 33 -4.083 0.005 -6.005 235 HG21 VAL 33 HG21 VAL 33 -1.896 -0.292 -8.453 236 HG22 VAL 33 HG22 VAL 33 -2.918 -1.520 -9.199 237 HG23 VAL 33 HG23 VAL 33 -1.404 -1.986 -8.425 238 H GLU 34 HN GLU 34 0.058 -0.745 -7.263 239 HA GLU 34 HA GLU 34 1.167 -3.408 -7.376 240 HB2 GLU 34 HB2 GLU 34 1.919 -0.699 -8.292 241 HB3 GLU 34 HB1 GLU 34 3.277 -1.763 -7.934 242 HG2 GLU 34 HG2 GLU 34 2.738 -2.142 -10.234 243 HG3 GLU 34 HG1 GLU 34 2.101 -3.530 -9.349 244 H ALA 35 HN ALA 35 2.191 -0.443 -5.632 245 HA ALA 35 HA ALA 35 4.280 -1.609 -4.142 246 HB1 ALA 35 HB1 ALA 35 3.437 0.162 -2.346 247 HB2 ALA 35 HB2 ALA 35 2.433 0.706 -3.690 248 HB3 ALA 35 HB3 ALA 35 4.189 0.691 -3.850 249 H LEU 36 HN LEU 36 0.867 -1.181 -3.059 250 HA LEU 36 HA LEU 36 1.145 -2.690 -0.668 251 HB2 LEU 36 HB2 LEU 36 -1.334 -2.646 -2.415 252 HB3 LEU 36 HB1 LEU 36 -1.261 -2.925 -0.680 253 HG LEU 36 HG LEU 36 -1.768 -0.720 -0.533 254 HD11 LEU 36 HD11 LEU 36 0.096 0.675 -0.215 255 HD12 LEU 36 HD12 LEU 36 0.988 -0.056 -1.546 256 HD13 LEU 36 HD13 LEU 36 0.786 -0.937 -0.031 257 HD21 LEU 36 HD21 LEU 36 -0.619 0.554 -2.813 258 HD22 LEU 36 HD22 LEU 36 -2.325 0.302 -2.442 259 HD23 LEU 36 HD23 LEU 36 -1.429 -0.917 -3.349 260 H TYR 37 HN TYR 37 1.079 -3.624 -3.973 261 HA TYR 37 HA TYR 37 0.382 -6.425 -3.449 262 HB2 TYR 37 HB2 TYR 37 -0.289 -5.304 -5.559 263 HB3 TYR 37 HB1 TYR 37 1.415 -5.064 -5.963 264 HD1 TYR 37 HD1 TYR 37 -1.105 -7.817 -5.209 265 HD2 TYR 37 HD2 TYR 37 2.706 -6.887 -7.013 266 HE1 TYR 37 HE1 TYR 37 -0.977 -10.077 -6.145 267 HE2 TYR 37 HE2 TYR 37 2.801 -9.156 -7.940 268 HH TYR 37 HH TYR 37 0.775 -10.985 -8.557 269 H LEU 38 HN LEU 38 3.183 -4.532 -3.209 270 HA LEU 38 HA LEU 38 4.979 -6.829 -3.787 271 HB2 LEU 38 HB2 LEU 38 6.175 -4.332 -2.752 272 HB3 LEU 38 HB1 LEU 38 6.668 -5.331 -4.116 273 HG LEU 38 HG LEU 38 4.302 -3.450 -4.127 274 HD11 LEU 38 HD11 LEU 38 7.130 -3.184 -5.153 275 HD12 LEU 38 HD12 LEU 38 6.263 -2.095 -4.069 276 HD13 LEU 38 HD13 LEU 38 5.808 -2.193 -5.770 277 HD21 LEU 38 HD21 LEU 38 4.378 -3.877 -6.579 278 HD22 LEU 38 HD22 LEU 38 4.029 -5.337 -5.653 279 HD23 LEU 38 HD23 LEU 38 5.646 -5.071 -6.303 280 H VAL 39 HN VAL 39 4.070 -4.616 -1.169 281 HA VAL 39 HA VAL 39 5.763 -5.899 0.794 282 HB VAL 39 HB VAL 39 4.837 -4.386 2.336 283 HG11 VAL 39 HG11 VAL 39 5.010 -2.319 1.262 284 HG12 VAL 39 HG12 VAL 39 4.162 -2.883 -0.177 285 HG13 VAL 39 HG13 VAL 39 5.825 -3.389 0.122 286 HG21 VAL 39 HG21 VAL 39 2.481 -5.136 2.035 287 HG22 VAL 39 HG22 VAL 39 2.388 -4.181 0.555 288 HG23 VAL 39 HG23 VAL 39 2.615 -3.379 2.109 289 H CYS 40 HN CYS 40 2.542 -6.483 -0.427 290 HA CYS 40 HA CYS 40 2.064 -8.452 1.758 291 HB2 CYS 40 HB2 CYS 40 0.151 -7.450 -0.370 292 HB3 CYS 40 HB1 CYS 40 -0.260 -8.450 1.023 293 H GLY 41 HN GLY 41 3.128 -8.263 -1.466 294 HA2 GLY 41 HA2 GLY 41 3.421 -9.895 -3.136 295 HA3 GLY 41 HA1 GLY 41 3.648 -10.995 -1.774 296 H GLU 42 HN GLU 42 0.626 -9.300 -2.139 297 HA GLU 42 HA GLU 42 -1.491 -10.045 -2.834 298 HB2 GLU 42 HB2 GLU 42 -1.490 -11.340 -4.686 299 HB3 GLU 42 HB1 GLU 42 0.260 -11.415 -4.525 300 HG2 GLU 42 HG2 GLU 42 -0.162 -13.407 -2.927 301 HG3 GLU 42 HG1 GLU 42 -1.794 -13.422 -3.595 302 H ARG 43 HN ARG 43 0.281 -11.052 -0.395 303 HA ARG 43 HA ARG 43 -0.718 -13.548 0.470 304 HB2 ARG 43 HB2 ARG 43 -0.060 -12.903 2.680 305 HB3 ARG 43 HB1 ARG 43 1.076 -12.114 1.586 306 HG2 ARG 43 HG2 ARG 43 0.528 -10.229 2.741 307 HG3 ARG 43 HG1 ARG 43 -0.911 -10.239 1.721 308 HD2 ARG 43 HD2 ARG 43 -1.910 -10.140 3.805 309 HD3 ARG 43 HD1 ARG 43 -1.808 -11.889 3.606 310 HE ARG 43 HE ARG 43 0.444 -11.603 4.901 311 HH11 ARG 43 HH21 ARG 43 -2.664 -10.397 5.571 312 HH12 ARG 43 HH22 ARG 43 -2.218 -9.643 7.065 313 HH21 ARG 43 HH11 ARG 43 1.167 -10.297 6.691 314 HH22 ARG 43 HH12 ARG 43 -0.048 -9.586 7.699 315 H GLY 44 HN GLY 44 -2.485 -14.043 1.939 316 HA2 GLY 44 HA2 GLY 44 -4.620 -13.703 2.914 317 HA3 GLY 44 HA1 GLY 44 -4.532 -12.006 2.438 318 H GLY 45 HN GLY 45 -6.208 -11.567 1.088 319 HA2 GLY 45 HA2 GLY 45 -7.037 -13.668 -0.861 320 HA3 GLY 45 HA1 GLY 45 -8.058 -12.332 -0.326 321 H PHE 46 HN PHE 46 -7.732 -10.252 -1.247 322 HA PHE 46 HA PHE 46 -5.908 -10.221 -3.617 323 HB2 PHE 46 HB2 PHE 46 -8.447 -10.338 -4.053 324 HB3 PHE 46 HB1 PHE 46 -8.511 -8.675 -3.398 325 HD1 PHE 46 HD1 PHE 46 -5.241 -8.997 -4.854 326 HD2 PHE 46 HD2 PHE 46 -9.347 -8.506 -6.125 327 HE1 PHE 46 HE1 PHE 46 -4.500 -8.101 -7.002 328 HE2 PHE 46 HE2 PHE 46 -8.561 -7.615 -8.259 329 HZ PHE 46 HZ PHE 46 -6.143 -7.409 -8.710 330 H TYR 47 HN TYR 47 -7.250 -7.249 -3.581 331 HA TYR 47 HA TYR 47 -4.934 -5.931 -2.620 332 HB2 TYR 47 HB2 TYR 47 -6.565 -4.882 -4.142 333 HB3 TYR 47 HB1 TYR 47 -7.785 -4.890 -2.837 334 HD1 TYR 47 HD1 TYR 47 -4.087 -4.204 -2.221 335 HD2 TYR 47 HD2 TYR 47 -7.982 -2.355 -2.579 336 HE1 TYR 47 HE1 TYR 47 -3.199 -2.099 -1.356 337 HE2 TYR 47 HE2 TYR 47 -7.052 -0.271 -1.708 338 HH TYR 47 HH TYR 47 -5.280 0.745 -0.876 339 H THR 48 HN THR 48 -7.959 -5.116 -1.039 340 HA THR 48 HA THR 48 -6.627 -5.646 1.578 341 HB THR 48 HB THR 48 -8.831 -3.674 0.918 342 HG1 THR 48 HG1 THR 48 -6.796 -3.057 0.134 343 HG21 THR 48 HG21 THR 48 -7.670 -4.702 3.433 344 HG22 THR 48 HG22 THR 48 -9.239 -3.951 3.140 345 HG23 THR 48 HG23 THR 48 -7.802 -2.946 3.334 346 H LYS 49 HN LYS 49 -10.014 -5.104 0.736 347 HA LYS 49 HA LYS 49 -11.928 -6.383 1.200 348 HB2 LYS 49 HB2 LYS 49 -10.427 -7.995 -0.241 349 HB3 LYS 49 HB1 LYS 49 -10.216 -8.849 1.288 350 HG2 LYS 49 HG2 LYS 49 -12.168 -9.883 0.805 351 HG3 LYS 49 HG1 LYS 49 -12.941 -8.353 1.223 352 HD2 LYS 49 HD2 LYS 49 -13.322 -7.788 -0.965 353 HD3 LYS 49 HD1 LYS 49 -11.842 -8.564 -1.530 354 HE2 LYS 49 HE2 LYS 49 -12.892 -10.530 -1.936 355 HE3 LYS 49 HE1 LYS 49 -13.800 -10.454 -0.426 356 HZ1 LYS 49 HZ1 LYS 49 -14.546 -8.541 -2.486 357 HZ2 LYS 49 HZ2 LYS 49 -15.524 -9.412 -1.402 358 HZ3 LYS 49 HZ3 LYS 49 -14.925 -10.163 -2.802 359 HA PRO 50 HA PRO 50 -10.941 -6.603 5.623 360 HB2 PRO 50 HB2 PRO 50 -13.228 -5.290 6.397 361 HB3 PRO 50 HB1 PRO 50 -11.731 -4.462 5.932 362 HG2 PRO 50 HG2 PRO 50 -14.266 -4.763 4.390 363 HG3 PRO 50 HG1 PRO 50 -13.042 -3.486 4.298 364 HD2 PRO 50 HD2 PRO 50 -13.330 -5.628 2.476 365 HD3 PRO 50 HD1 PRO 50 -11.918 -4.557 2.609 366 H THR 51 HN THR 51 -11.800 -8.069 7.162 367 HA THR 51 HA THR 51 -14.212 -9.598 6.262 368 HB THR 51 HB THR 51 -12.782 -11.175 8.102 369 HG1 THR 51 HG1 THR 51 -10.819 -10.495 7.877 370 HG21 THR 51 HG21 THR 51 -12.117 -12.233 5.696 371 HG22 THR 51 HG22 THR 51 -13.438 -11.169 5.212 372 HG23 THR 51 HG23 THR 51 -13.711 -12.418 6.427 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -8.588 6.851 -0.209 2 H2 GLY 1 HT2 GLY 1 -9.747 7.825 0.564 3 H3 GLY 1 HT3 GLY 1 -8.671 6.889 1.486 4 HA2 GLY 1 HA1 GLY 1 -7.464 8.826 -0.256 5 HA3 GLY 1 HA2 GLY 1 -8.325 9.515 1.154 6 H ILE 2 HN ILE 2 -6.464 6.523 0.141 7 HA ILE 2 HA ILE 2 -4.136 7.254 1.765 8 HB ILE 2 HB ILE 2 -4.680 4.914 -0.081 9 HG12 ILE 2 HG12 ILE 2 -4.626 5.193 2.942 10 HG13 ILE 2 HG11 ILE 2 -6.067 4.968 1.950 11 HG21 ILE 2 HG21 ILE 2 -2.197 5.876 0.771 12 HG22 ILE 2 HG22 ILE 2 -2.538 4.253 0.172 13 HG23 ILE 2 HG23 ILE 2 -2.575 4.579 1.904 14 HD11 ILE 2 HD11 ILE 2 -4.324 2.966 3.003 15 HD12 ILE 2 HD12 ILE 2 -4.195 2.933 1.245 16 HD13 ILE 2 HD13 ILE 2 -5.769 2.744 2.017 17 H VAL 3 HN VAL 3 -4.816 6.783 -1.707 18 HA VAL 3 HA VAL 3 -2.243 7.314 -2.718 19 HB VAL 3 HB VAL 3 -3.308 7.820 -4.806 20 HG11 VAL 3 HG11 VAL 3 -3.946 5.661 -4.853 21 HG12 VAL 3 HG12 VAL 3 -5.515 6.161 -4.223 22 HG13 VAL 3 HG13 VAL 3 -4.237 5.667 -3.113 23 HG21 VAL 3 HG21 VAL 3 -4.838 9.543 -4.314 24 HG22 VAL 3 HG22 VAL 3 -5.607 8.616 -3.026 25 HG23 VAL 3 HG23 VAL 3 -5.891 8.185 -4.712 26 H GLU 4 HN GLU 4 -4.444 9.440 -1.150 27 HA GLU 4 HA GLU 4 -3.146 11.860 -2.251 28 HB2 GLU 4 HB2 GLU 4 -5.125 11.975 -0.009 29 HB3 GLU 4 HB1 GLU 4 -4.937 13.052 -1.393 30 HG2 GLU 4 HG2 GLU 4 -5.674 11.000 -2.811 31 HG3 GLU 4 HG1 GLU 4 -6.263 10.346 -1.283 32 H GLN 5 HN GLN 5 -2.598 9.676 0.252 33 HA GLN 5 HA GLN 5 -1.318 11.760 1.961 34 HB2 GLN 5 HB2 GLN 5 -2.793 9.371 2.538 35 HB3 GLN 5 HB1 GLN 5 -1.155 9.186 3.164 36 HG2 GLN 5 HG2 GLN 5 -2.024 11.850 3.732 37 HG3 GLN 5 HG1 GLN 5 -3.287 10.738 4.260 38 HE21 GLN 5 HE21 GLN 5 0.029 11.773 4.842 39 HE22 GLN 5 HE22 GLN 5 0.276 10.831 6.232 40 H CYS 6 HN CYS 6 -0.652 8.867 0.053 41 HA CYS 6 HA CYS 6 2.224 9.086 0.809 42 HB2 CYS 6 HB2 CYS 6 0.618 6.855 -0.451 43 HB3 CYS 6 HB1 CYS 6 2.378 6.821 -0.329 44 H CYS 7 HN CYS 7 0.381 8.291 -2.178 45 HA CYS 7 HA CYS 7 2.406 8.780 -4.041 46 HB2 CYS 7 HB2 CYS 7 0.085 7.994 -4.586 47 HB3 CYS 7 HB1 CYS 7 -0.484 9.649 -4.369 48 H THR 8 HN THR 8 0.590 11.130 -2.141 49 HA THR 8 HA THR 8 1.366 13.436 -3.707 50 HB THR 8 HB THR 8 -0.514 13.630 -2.182 51 HG1 THR 8 HG1 THR 8 0.087 15.511 -1.234 52 HG21 THR 8 HG21 THR 8 -0.173 12.125 -0.442 53 HG22 THR 8 HG22 THR 8 0.179 13.656 0.359 54 HG23 THR 8 HG23 THR 8 1.499 12.628 -0.198 55 H SER 9 HN SER 9 2.970 11.430 -1.421 56 HA SER 9 HA SER 9 5.418 13.054 -1.695 57 HB2 SER 9 HB2 SER 9 4.059 13.751 0.420 58 HB3 SER 9 HB1 SER 9 4.574 12.198 1.073 59 HG SER 9 HG SER 9 6.061 13.830 1.596 60 H ILE 10 HN ILE 10 6.686 11.507 0.503 61 HA ILE 10 HA ILE 10 6.808 8.882 -0.922 62 HB ILE 10 HB ILE 10 8.921 9.929 0.960 63 HG12 ILE 10 HG12 ILE 10 8.583 11.675 -0.722 64 HG13 ILE 10 HG11 ILE 10 10.077 10.806 -1.075 65 HG21 ILE 10 HG21 ILE 10 10.123 8.528 -1.060 66 HG22 ILE 10 HG22 ILE 10 8.567 7.704 -0.953 67 HG23 ILE 10 HG23 ILE 10 9.608 7.813 0.467 68 HD11 ILE 10 HD11 ILE 10 7.852 11.169 -2.794 69 HD12 ILE 10 HD12 ILE 10 7.874 9.462 -2.351 70 HD13 ILE 10 HD13 ILE 10 9.294 10.199 -3.093 71 H CYS 11 HN CYS 11 6.134 7.114 0.179 72 HA CYS 11 HA CYS 11 5.673 7.406 3.120 73 HB2 CYS 11 HB2 CYS 11 4.169 6.106 0.917 74 HB3 CYS 11 HB1 CYS 11 4.230 5.212 2.435 75 H SER 12 HN SER 12 5.922 5.327 4.355 76 HA SER 12 HA SER 12 8.242 3.773 3.286 77 HB2 SER 12 HB2 SER 12 8.988 3.485 5.499 78 HB3 SER 12 HB1 SER 12 8.344 5.124 5.530 79 HG SER 12 HG SER 12 6.689 4.461 6.702 80 H LEU 13 HN LEU 13 8.049 1.489 3.217 81 HA LEU 13 HA LEU 13 5.569 0.325 2.797 82 HB2 LEU 13 HB2 LEU 13 8.223 -0.646 3.096 83 HB3 LEU 13 HB1 LEU 13 7.193 -1.636 4.133 84 HG LEU 13 HG LEU 13 7.129 -2.687 1.985 85 HD11 LEU 13 HD11 LEU 13 4.669 -1.281 1.409 86 HD12 LEU 13 HD12 LEU 13 4.838 -1.530 3.147 87 HD13 LEU 13 HD13 LEU 13 4.890 -2.907 2.052 88 HD21 LEU 13 HD21 LEU 13 7.521 -1.529 0.084 89 HD22 LEU 13 HD22 LEU 13 7.641 -0.067 1.062 90 HD23 LEU 13 HD23 LEU 13 6.094 -0.529 0.353 91 H TYR 14 HN TYR 14 7.091 1.074 5.856 92 HA TYR 14 HA TYR 14 5.584 -0.555 7.600 93 HB2 TYR 14 HB2 TYR 14 7.406 1.457 7.949 94 HB3 TYR 14 HB1 TYR 14 5.918 2.268 8.453 95 HD1 TYR 14 HD2 TYR 14 4.256 0.314 9.824 96 HD2 TYR 14 HD1 TYR 14 8.570 0.503 9.873 97 HE1 TYR 14 HE2 TYR 14 4.306 -0.923 11.942 98 HE2 TYR 14 HE1 TYR 14 8.585 -0.731 11.993 99 HH TYR 14 HH TYR 14 5.901 -1.141 13.917 100 H GLN 15 HN GLN 15 4.782 2.644 6.241 101 HA GLN 15 HA GLN 15 2.166 2.785 7.428 102 HB2 GLN 15 HB2 GLN 15 3.362 4.108 4.974 103 HB3 GLN 15 HB1 GLN 15 1.751 4.480 5.583 104 HG2 GLN 15 HG2 GLN 15 4.084 4.578 7.468 105 HG3 GLN 15 HG1 GLN 15 3.809 5.926 6.364 106 HE21 GLN 15 HE21 GLN 15 3.355 5.506 9.436 107 HE22 GLN 15 HE22 GLN 15 1.779 6.091 9.673 108 H LEU 16 HN LEU 16 3.389 1.563 4.326 109 HA LEU 16 HA LEU 16 0.831 0.903 3.213 110 HB2 LEU 16 HB2 LEU 16 3.613 -0.200 2.749 111 HB3 LEU 16 HB1 LEU 16 2.209 -0.775 1.851 112 HG LEU 16 HG LEU 16 1.763 1.651 1.229 113 HD11 LEU 16 HD11 LEU 16 3.943 3.041 1.341 114 HD12 LEU 16 HD12 LEU 16 4.445 1.897 2.586 115 HD13 LEU 16 HD13 LEU 16 3.000 2.881 2.823 116 HD21 LEU 16 HD21 LEU 16 3.396 -0.261 0.068 117 HD22 LEU 16 HD22 LEU 16 4.431 1.167 0.107 118 HD23 LEU 16 HD23 LEU 16 2.868 1.233 -0.707 119 H GLU 17 HN GLU 17 3.023 -0.765 5.417 120 HA GLU 17 HA GLU 17 1.854 -3.334 5.394 121 HB2 GLU 17 HB2 GLU 17 3.464 -1.724 7.281 122 HB3 GLU 17 HB1 GLU 17 2.482 -2.977 8.034 123 HG2 GLU 17 HG2 GLU 17 3.441 -4.479 6.087 124 HG3 GLU 17 HG1 GLU 17 4.716 -3.260 6.056 125 H ASN 18 HN ASN 18 0.820 -0.313 6.862 126 HA ASN 18 HA ASN 18 -1.258 -1.414 8.520 127 HB2 ASN 18 HB2 ASN 18 -0.306 0.937 8.665 128 HB3 ASN 18 HB1 ASN 18 -1.237 1.323 7.217 129 HD21 ASN 18 HD21 ASN 18 -3.693 0.711 7.427 130 HD22 ASN 18 HD22 ASN 18 -4.418 1.026 8.929 131 H TYR 19 HN TYR 19 -1.046 -0.560 5.110 132 HA TYR 19 HA TYR 19 -3.857 -0.534 4.553 133 HB2 TYR 19 HB2 TYR 19 -1.742 -1.571 2.644 134 HB3 TYR 19 HB1 TYR 19 -3.288 -0.777 2.242 135 HD1 TYR 19 HD2 TYR 19 -2.267 1.189 5.007 136 HD2 TYR 19 HD1 TYR 19 -0.991 0.491 0.934 137 HE1 TYR 19 HE2 TYR 19 -1.106 3.330 4.956 138 HE2 TYR 19 HE1 TYR 19 0.149 2.631 0.930 139 HH TYR 19 HH TYR 19 -0.362 4.998 3.268 140 H CYS 20 HN CYS 20 -1.439 -3.135 4.574 141 HA CYS 20 HA CYS 20 -3.516 -5.145 3.955 142 HB2 CYS 20 HB2 CYS 20 -0.520 -5.245 4.311 143 HB3 CYS 20 HB1 CYS 20 -1.487 -6.716 4.215 144 H ASN 21 HN ASN 21 -4.242 -4.018 6.299 145 HA ASN 21 HA ASN 21 -3.039 -5.486 8.549 146 HB2 ASN 21 HB2 ASN 21 -3.745 -3.214 8.987 147 HB3 ASN 21 HB1 ASN 21 -5.366 -3.553 8.378 148 HD21 ASN 21 HD21 ASN 21 -6.008 -2.801 10.664 149 HD22 ASN 21 HD22 ASN 21 -5.990 -3.958 11.906 150 H1 PHE 22 HT1 PHE 22 13.644 -0.533 1.788 151 H2 PHE 22 HT2 PHE 22 13.228 -2.178 1.878 152 H3 PHE 22 HT3 PHE 22 12.153 -0.994 2.453 153 HA PHE 22 HA PHE 22 13.009 -1.058 -0.374 154 HB2 PHE 22 HB2 PHE 22 10.502 -2.107 -0.445 155 HB3 PHE 22 HB1 PHE 22 11.964 -3.091 -0.465 156 HD1 PHE 22 HD1 PHE 22 9.464 -1.548 1.851 157 HD2 PHE 22 HD2 PHE 22 12.404 -4.630 1.269 158 HE1 PHE 22 HE1 PHE 22 8.794 -2.594 3.998 159 HE2 PHE 22 HE2 PHE 22 11.734 -5.674 3.417 160 HZ PHE 22 HZ PHE 22 9.929 -4.657 4.782 161 H VAL 23 HN VAL 23 12.383 1.008 1.747 162 HA VAL 23 HA VAL 23 9.791 2.101 0.855 163 HB VAL 23 HB VAL 23 10.247 3.903 2.470 164 HG11 VAL 23 HG11 VAL 23 11.028 1.845 4.257 165 HG12 VAL 23 HG12 VAL 23 9.974 1.147 3.026 166 HG13 VAL 23 HG13 VAL 23 9.424 2.519 3.985 167 HG21 VAL 23 HG21 VAL 23 12.532 4.338 2.460 168 HG22 VAL 23 HG22 VAL 23 12.959 2.627 2.437 169 HG23 VAL 23 HG23 VAL 23 12.392 3.373 3.930 170 H ASN 24 HN ASN 24 10.475 4.794 1.016 171 HA ASN 24 HA ASN 24 11.195 6.566 -0.355 172 HB2 ASN 24 HB2 ASN 24 13.438 5.539 0.327 173 HB3 ASN 24 HB1 ASN 24 13.426 4.734 -1.243 174 HD21 ASN 24 HD21 ASN 24 15.329 6.075 -1.869 175 HD22 ASN 24 HD22 ASN 24 15.109 7.696 -2.319 176 H GLN 25 HN GLN 25 9.151 5.615 -1.529 177 HA GLN 25 HA GLN 25 9.898 5.378 -4.381 178 HB2 GLN 25 HB2 GLN 25 9.014 3.145 -2.819 179 HB3 GLN 25 HB1 GLN 25 7.732 3.566 -3.955 180 HG2 GLN 25 HG2 GLN 25 10.622 3.296 -4.803 181 HG3 GLN 25 HG1 GLN 25 9.498 1.935 -4.825 182 HE21 GLN 25 HE21 GLN 25 10.377 4.928 -6.431 183 HE22 GLN 25 HE22 GLN 25 9.253 4.804 -7.697 184 H HIS 26 HN HIS 26 7.558 5.215 -5.606 185 HA HIS 26 HA HIS 26 5.666 7.088 -4.248 186 HB2 HIS 26 HB2 HIS 26 7.437 7.898 -6.241 187 HB3 HIS 26 HB1 HIS 26 5.951 7.547 -7.123 188 HD2 HIS 26 HD2 HIS 26 4.652 9.934 -7.367 189 HE1 HIS 26 HE1 HIS 26 5.378 11.382 -3.460 190 HE2 HIS 26 HE2 HIS 26 4.231 11.876 -5.687 191 H LEU 27 HN LEU 27 3.518 7.101 -5.588 192 HA LEU 27 HA LEU 27 3.130 4.858 -7.400 193 HB2 LEU 27 HB2 LEU 27 1.275 3.965 -5.650 194 HB3 LEU 27 HB1 LEU 27 2.921 3.368 -5.680 195 HG LEU 27 HG LEU 27 3.522 5.131 -3.993 196 HD11 LEU 27 HD11 LEU 27 1.102 5.661 -2.774 197 HD12 LEU 27 HD12 LEU 27 0.710 5.810 -4.487 198 HD13 LEU 27 HD13 LEU 27 1.996 6.793 -3.789 199 HD21 LEU 27 HD21 LEU 27 3.242 2.970 -3.103 200 HD22 LEU 27 HD22 LEU 27 1.513 2.954 -3.446 201 HD23 LEU 27 HD23 LEU 27 2.141 3.945 -2.129 202 H CYS 28 HN CYS 28 0.183 4.871 -6.302 203 HA CYS 28 HA CYS 28 -1.414 6.906 -6.259 204 HB2 CYS 28 HB2 CYS 28 0.221 7.437 -8.663 205 HB3 CYS 28 HB1 CYS 28 -1.504 7.497 -8.949 206 H GLY 29 HN GLY 29 -3.455 6.229 -6.681 207 HA2 GLY 29 HA2 GLY 29 -5.037 4.512 -7.134 208 HA3 GLY 29 HA1 GLY 29 -4.655 5.022 -8.776 209 H SER 30 HN SER 30 -3.943 3.455 -10.106 210 HA SER 30 HA SER 30 -3.728 0.753 -9.470 211 HB2 SER 30 HB2 SER 30 -3.251 2.349 -11.745 212 HB3 SER 30 HB1 SER 30 -1.784 1.405 -11.509 213 HG SER 30 HG SER 30 -3.147 -0.456 -11.372 214 H ASP 31 HN ASP 31 -0.936 2.985 -9.850 215 HA ASP 31 HA ASP 31 1.123 1.282 -9.126 216 HB2 ASP 31 HB2 ASP 31 0.836 4.099 -8.049 217 HB3 ASP 31 HB1 ASP 31 2.337 3.213 -8.302 218 H LEU 32 HN LEU 32 -1.315 2.718 -7.014 219 HA LEU 32 HA LEU 32 -0.079 1.951 -4.532 220 HB2 LEU 32 HB2 LEU 32 -2.435 3.287 -5.305 221 HB3 LEU 32 HB1 LEU 32 -2.979 1.861 -4.420 222 HG LEU 32 HG LEU 32 -1.226 2.499 -2.641 223 HD11 LEU 32 HD11 LEU 32 -0.004 4.089 -4.094 224 HD12 LEU 32 HD12 LEU 32 -0.586 4.869 -2.624 225 HD13 LEU 32 HD13 LEU 32 -1.431 5.123 -4.151 226 HD21 LEU 32 HD21 LEU 32 -2.833 4.599 -2.035 227 HD22 LEU 32 HD22 LEU 32 -3.335 2.920 -1.829 228 HD23 LEU 32 HD23 LEU 32 -3.822 3.816 -3.268 229 H VAL 33 HN VAL 33 -3.051 0.488 -5.906 230 HA VAL 33 HA VAL 33 -2.915 -1.913 -4.472 231 HB VAL 33 HB VAL 33 -4.292 -2.912 -6.206 232 HG11 VAL 33 HG11 VAL 33 -5.623 -0.535 -6.726 233 HG12 VAL 33 HG12 VAL 33 -4.734 -0.184 -5.243 234 HG13 VAL 33 HG13 VAL 33 -5.850 -1.548 -5.300 235 HG21 VAL 33 HG21 VAL 33 -4.314 -0.791 -8.157 236 HG22 VAL 33 HG22 VAL 33 -3.923 -2.494 -8.388 237 HG23 VAL 33 HG23 VAL 33 -2.660 -1.354 -7.929 238 H GLU 34 HN GLU 34 -0.955 -0.800 -7.113 239 HA GLU 34 HA GLU 34 0.131 -3.401 -7.815 240 HB2 GLU 34 HB2 GLU 34 0.586 -0.576 -8.569 241 HB3 GLU 34 HB1 GLU 34 2.009 -1.611 -8.659 242 HG2 GLU 34 HG2 GLU 34 0.477 -3.277 -9.912 243 HG3 GLU 34 HG1 GLU 34 -0.615 -1.906 -10.114 244 H ALA 35 HN ALA 35 1.650 -0.546 -6.223 245 HA ALA 35 HA ALA 35 3.922 -1.963 -5.271 246 HB1 ALA 35 HB1 ALA 35 2.509 0.412 -4.007 247 HB2 ALA 35 HB2 ALA 35 3.776 0.504 -5.230 248 HB3 ALA 35 HB3 ALA 35 4.146 -0.122 -3.623 249 H LEU 36 HN LEU 36 0.763 -1.350 -3.787 250 HA LEU 36 HA LEU 36 1.185 -2.599 -1.273 251 HB2 LEU 36 HB2 LEU 36 -1.178 -2.075 -3.044 252 HB3 LEU 36 HB1 LEU 36 -1.390 -3.177 -1.686 253 HG LEU 36 HG LEU 36 -1.864 -0.669 -1.283 254 HD11 LEU 36 HD11 LEU 36 -1.797 -1.474 0.802 255 HD12 LEU 36 HD12 LEU 36 -0.061 -1.161 0.839 256 HD13 LEU 36 HD13 LEU 36 -0.665 -2.734 0.313 257 HD21 LEU 36 HD21 LEU 36 1.172 -0.673 -1.191 258 HD22 LEU 36 HD22 LEU 36 0.131 0.662 -0.699 259 HD23 LEU 36 HD23 LEU 36 0.191 0.168 -2.391 260 H TYR 37 HN TYR 37 0.466 -3.870 -4.453 261 HA TYR 37 HA TYR 37 -0.052 -6.597 -3.586 262 HB2 TYR 37 HB2 TYR 37 -1.116 -6.040 -5.594 263 HB3 TYR 37 HB1 TYR 37 0.292 -5.177 -6.214 264 HD1 TYR 37 HD1 TYR 37 -0.816 -8.715 -5.281 265 HD2 TYR 37 HD2 TYR 37 1.851 -6.332 -7.700 266 HE1 TYR 37 HE1 TYR 37 -0.048 -10.730 -6.452 267 HE2 TYR 37 HE2 TYR 37 2.594 -8.363 -8.855 268 HH TYR 37 HH TYR 37 2.489 -10.572 -8.942 269 H LEU 38 HN LEU 38 2.793 -4.763 -4.183 270 HA LEU 38 HA LEU 38 4.411 -7.172 -4.742 271 HB2 LEU 38 HB2 LEU 38 5.852 -4.667 -4.163 272 HB3 LEU 38 HB1 LEU 38 6.032 -5.777 -5.519 273 HG LEU 38 HG LEU 38 3.804 -3.761 -5.203 274 HD11 LEU 38 HD11 LEU 38 5.758 -2.517 -5.693 275 HD12 LEU 38 HD12 LEU 38 4.995 -2.772 -7.262 276 HD13 LEU 38 HD13 LEU 38 6.372 -3.762 -6.781 277 HD21 LEU 38 HD21 LEU 38 3.204 -4.385 -7.481 278 HD22 LEU 38 HD22 LEU 38 3.208 -5.826 -6.465 279 HD23 LEU 38 HD23 LEU 38 4.559 -5.512 -7.553 280 H VAL 39 HN VAL 39 3.755 -4.883 -2.170 281 HA VAL 39 HA VAL 39 5.780 -6.121 -0.427 282 HB VAL 39 HB VAL 39 5.406 -4.327 1.028 283 HG11 VAL 39 HG11 VAL 39 5.935 -2.613 -0.355 284 HG12 VAL 39 HG12 VAL 39 4.413 -2.744 -1.236 285 HG13 VAL 39 HG13 VAL 39 5.766 -3.797 -1.649 286 HG21 VAL 39 HG21 VAL 39 3.204 -2.894 0.524 287 HG22 VAL 39 HG22 VAL 39 3.180 -4.274 1.622 288 HG23 VAL 39 HG23 VAL 39 2.628 -4.461 -0.043 289 H CYS 40 HN CYS 40 2.498 -6.572 -1.233 290 HA CYS 40 HA CYS 40 2.065 -8.130 1.282 291 HB2 CYS 40 HB2 CYS 40 0.080 -6.802 -0.585 292 HB3 CYS 40 HB1 CYS 40 -0.383 -7.905 0.709 293 H GLY 41 HN GLY 41 2.622 -8.356 -2.054 294 HA2 GLY 41 HA2 GLY 41 2.356 -10.113 -3.601 295 HA3 GLY 41 HA1 GLY 41 2.725 -11.130 -2.207 296 H GLU 42 HN GLU 42 -0.022 -9.308 -3.583 297 HA GLU 42 HA GLU 42 -2.337 -9.734 -3.363 298 HB2 GLU 42 HB2 GLU 42 -2.970 -11.707 -4.561 299 HB3 GLU 42 HB1 GLU 42 -1.482 -11.117 -5.296 300 HG2 GLU 42 HG2 GLU 42 -0.273 -12.929 -4.613 301 HG3 GLU 42 HG1 GLU 42 -1.117 -13.041 -3.071 302 H ARG 43 HN ARG 43 -1.055 -10.024 -0.833 303 HA ARG 43 HA ARG 43 -1.736 -12.500 0.450 304 HB2 ARG 43 HB2 ARG 43 -0.168 -10.872 1.455 305 HB3 ARG 43 HB1 ARG 43 -1.494 -9.726 1.659 306 HG2 ARG 43 HG2 ARG 43 -2.266 -10.786 3.503 307 HG3 ARG 43 HG1 ARG 43 -2.101 -12.374 2.756 308 HD2 ARG 43 HD2 ARG 43 0.186 -12.547 3.364 309 HD3 ARG 43 HD1 ARG 43 0.302 -10.825 3.728 310 HE ARG 43 HE ARG 43 -0.767 -11.232 5.830 311 HH11 ARG 43 HH21 ARG 43 -1.220 -13.887 3.712 312 HH12 ARG 43 HH22 ARG 43 -1.411 -15.051 4.981 313 HH21 ARG 43 HH11 ARG 43 -0.769 -12.781 7.522 314 HH22 ARG 43 HH12 ARG 43 -1.156 -14.424 7.137 315 H GLY 44 HN GLY 44 -3.606 -13.032 1.679 316 HA2 GLY 44 HA2 GLY 44 -5.852 -12.833 2.401 317 HA3 GLY 44 HA1 GLY 44 -5.832 -11.148 1.874 318 H GLY 45 HN GLY 45 -7.986 -12.965 1.322 319 HA2 GLY 45 HA2 GLY 45 -7.676 -13.796 -1.484 320 HA3 GLY 45 HA1 GLY 45 -9.123 -14.004 -0.497 321 H PHE 46 HN PHE 46 -8.232 -10.883 -0.001 322 HA PHE 46 HA PHE 46 -9.763 -9.906 -2.373 323 HB2 PHE 46 HB2 PHE 46 -10.934 -10.025 0.004 324 HB3 PHE 46 HB1 PHE 46 -9.981 -8.543 0.305 325 HD1 PHE 46 HD1 PHE 46 -11.390 -9.550 -3.120 326 HD2 PHE 46 HD2 PHE 46 -11.850 -6.843 0.226 327 HE1 PHE 46 HE1 PHE 46 -12.992 -8.210 -4.386 328 HE2 PHE 46 HE2 PHE 46 -13.451 -5.538 -1.077 329 HZ PHE 46 HZ PHE 46 -14.028 -6.208 -3.381 330 H TYR 47 HN TYR 47 -9.475 -7.141 -1.099 331 HA TYR 47 HA TYR 47 -6.603 -6.754 -1.834 332 HB2 TYR 47 HB2 TYR 47 -7.783 -5.646 -3.520 333 HB3 TYR 47 HB1 TYR 47 -9.105 -5.176 -2.413 334 HD1 TYR 47 HD1 TYR 47 -5.284 -4.579 -2.676 335 HD2 TYR 47 HD2 TYR 47 -9.115 -2.822 -1.698 336 HE1 TYR 47 HE1 TYR 47 -4.217 -2.423 -2.248 337 HE2 TYR 47 HE2 TYR 47 -8.005 -0.688 -1.275 338 HH TYR 47 HH TYR 47 -6.047 0.487 -1.715 339 H THR 48 HN THR 48 -8.975 -6.402 0.610 340 HA THR 48 HA THR 48 -6.986 -5.286 2.434 341 HB THR 48 HB THR 48 -9.508 -3.714 1.843 342 HG1 THR 48 HG1 THR 48 -6.849 -3.515 1.032 343 HG21 THR 48 HG21 THR 48 -8.195 -2.045 3.349 344 HG22 THR 48 HG22 THR 48 -7.307 -3.473 3.880 345 HG23 THR 48 HG23 THR 48 -9.051 -3.380 4.121 346 H LYS 49 HN LYS 49 -10.344 -6.175 1.864 347 HA LYS 49 HA LYS 49 -10.448 -7.224 4.664 348 HB2 LYS 49 HB2 LYS 49 -12.347 -5.624 3.090 349 HB3 LYS 49 HB1 LYS 49 -13.077 -7.047 3.837 350 HG2 LYS 49 HG2 LYS 49 -12.703 -6.288 5.977 351 HG3 LYS 49 HG1 LYS 49 -11.234 -5.422 5.526 352 HD2 LYS 49 HD2 LYS 49 -12.579 -3.587 5.746 353 HD3 LYS 49 HD1 LYS 49 -13.066 -4.014 4.105 354 HE2 LYS 49 HE2 LYS 49 -14.964 -5.294 4.966 355 HE3 LYS 49 HE1 LYS 49 -14.457 -4.969 6.624 356 HZ1 LYS 49 HZ1 LYS 49 -16.244 -3.488 5.484 357 HZ2 LYS 49 HZ2 LYS 49 -14.896 -2.713 4.798 358 HZ3 LYS 49 HZ3 LYS 49 -15.070 -2.785 6.486 359 HA PRO 50 HA PRO 50 -10.702 -10.826 1.880 360 HB2 PRO 50 HB2 PRO 50 -9.131 -12.420 3.475 361 HB3 PRO 50 HB1 PRO 50 -8.487 -11.337 2.229 362 HG2 PRO 50 HG2 PRO 50 -8.478 -11.002 5.194 363 HG3 PRO 50 HG1 PRO 50 -7.353 -10.354 3.988 364 HD2 PRO 50 HD2 PRO 50 -9.432 -8.912 5.241 365 HD3 PRO 50 HD1 PRO 50 -8.544 -8.405 3.788 366 H THR 51 HN THR 51 -11.328 -13.188 2.581 367 HA THR 51 HA THR 51 -13.027 -13.106 5.036 368 HB THR 51 HB THR 51 -14.263 -14.791 3.095 369 HG1 THR 51 HG1 THR 51 -13.918 -13.752 1.325 370 HG21 THR 51 HG21 THR 51 -16.148 -13.626 3.733 371 HG22 THR 51 HG22 THR 51 -15.315 -12.072 3.735 372 HG23 THR 51 HG23 THR 51 -15.079 -13.200 5.070 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -9.346 7.700 4.829 2 H2 GLY 1 HT2 GLY 1 -9.885 8.433 3.395 3 H3 GLY 1 HT3 GLY 1 -8.586 9.106 4.258 4 HA2 GLY 1 HA1 GLY 1 -8.005 6.463 3.538 5 HA3 GLY 1 HA2 GLY 1 -8.440 7.381 2.065 6 H ILE 2 HN ILE 2 -6.246 5.775 2.447 7 HA ILE 2 HA ILE 2 -4.207 6.940 4.238 8 HB ILE 2 HB ILE 2 -3.856 4.687 2.254 9 HG12 ILE 2 HG12 ILE 2 -4.840 4.626 5.123 10 HG13 ILE 2 HG11 ILE 2 -5.714 4.074 3.693 11 HG21 ILE 2 HG21 ILE 2 -2.391 5.703 4.685 12 HG22 ILE 2 HG22 ILE 2 -1.763 5.448 3.057 13 HG23 ILE 2 HG23 ILE 2 -2.149 4.065 4.080 14 HD11 ILE 2 HD11 ILE 2 -3.490 2.598 3.403 15 HD12 ILE 2 HD12 ILE 2 -4.859 2.045 4.366 16 HD13 ILE 2 HD13 ILE 2 -3.464 2.777 5.158 17 H VAL 3 HN VAL 3 -4.914 6.621 0.806 18 HA VAL 3 HA VAL 3 -2.632 7.371 -0.491 19 HB VAL 3 HB VAL 3 -3.955 8.281 -2.229 20 HG11 VAL 3 HG11 VAL 3 -5.498 6.600 -2.530 21 HG12 VAL 3 HG12 VAL 3 -6.157 6.770 -0.903 22 HG13 VAL 3 HG13 VAL 3 -4.631 5.920 -1.152 23 HG21 VAL 3 HG21 VAL 3 -6.431 8.957 -1.507 24 HG22 VAL 3 HG22 VAL 3 -5.104 10.112 -1.386 25 HG23 VAL 3 HG23 VAL 3 -5.649 9.242 0.048 26 H GLU 4 HN GLU 4 -4.539 9.443 1.576 27 HA GLU 4 HA GLU 4 -3.297 11.925 0.818 28 HB2 GLU 4 HB2 GLU 4 -4.386 11.416 3.572 29 HB3 GLU 4 HB1 GLU 4 -4.497 12.874 2.586 30 HG2 GLU 4 HG2 GLU 4 -5.814 11.230 0.948 31 HG3 GLU 4 HG1 GLU 4 -6.129 10.374 2.459 32 H GLN 5 HN GLN 5 -2.028 9.255 2.439 33 HA GLN 5 HA GLN 5 -0.092 10.948 3.948 34 HB2 GLN 5 HB2 GLN 5 -1.314 8.334 4.413 35 HB3 GLN 5 HB1 GLN 5 0.440 8.302 4.597 36 HG2 GLN 5 HG2 GLN 5 -0.653 10.692 5.809 37 HG3 GLN 5 HG1 GLN 5 -1.436 9.256 6.469 38 HE21 GLN 5 HE21 GLN 5 1.772 10.753 5.941 39 HE22 GLN 5 HE22 GLN 5 2.564 9.861 7.149 40 H CYS 6 HN CYS 6 -0.296 8.415 1.461 41 HA CYS 6 HA CYS 6 2.657 8.641 1.127 42 HB2 CYS 6 HB2 CYS 6 0.689 6.532 0.220 43 HB3 CYS 6 HB1 CYS 6 2.377 6.570 -0.292 44 H CYS 7 HN CYS 7 -0.186 8.250 -1.066 45 HA CYS 7 HA CYS 7 0.954 8.938 -3.471 46 HB2 CYS 7 HB2 CYS 7 -1.593 8.640 -2.783 47 HB3 CYS 7 HB1 CYS 7 -1.570 10.404 -2.783 48 H THR 8 HN THR 8 -0.427 11.453 -1.294 49 HA THR 8 HA THR 8 0.418 13.735 -2.601 50 HB THR 8 HB THR 8 -0.787 13.950 -0.527 51 HG1 THR 8 HG1 THR 8 0.380 15.568 0.343 52 HG21 THR 8 HG21 THR 8 1.214 12.057 0.375 53 HG22 THR 8 HG22 THR 8 -0.342 12.461 1.099 54 HG23 THR 8 HG23 THR 8 1.087 13.416 1.492 55 H SER 9 HN SER 9 2.406 11.403 -0.916 56 HA SER 9 HA SER 9 4.815 12.750 -2.005 57 HB2 SER 9 HB2 SER 9 4.622 11.803 0.868 58 HB3 SER 9 HB1 SER 9 6.004 12.586 0.109 59 HG SER 9 HG SER 9 4.670 14.028 1.333 60 H ILE 10 HN ILE 10 6.261 10.671 -0.129 61 HA ILE 10 HA ILE 10 5.451 8.183 -1.504 62 HB ILE 10 HB ILE 10 7.973 9.705 -2.020 63 HG12 ILE 10 HG12 ILE 10 6.961 7.710 -3.930 64 HG13 ILE 10 HG11 ILE 10 5.775 8.939 -3.498 65 HG21 ILE 10 HG21 ILE 10 8.786 7.309 -2.874 66 HG22 ILE 10 HG22 ILE 10 7.815 6.772 -1.503 67 HG23 ILE 10 HG23 ILE 10 9.157 7.887 -1.250 68 HD11 ILE 10 HD11 ILE 10 7.058 10.679 -4.356 69 HD12 ILE 10 HD12 ILE 10 7.465 9.377 -5.474 70 HD13 ILE 10 HD13 ILE 10 8.570 9.792 -4.164 71 H CYS 11 HN CYS 11 5.230 6.802 0.171 72 HA CYS 11 HA CYS 11 6.839 7.145 2.619 73 HB2 CYS 11 HB2 CYS 11 4.808 4.983 2.032 74 HB3 CYS 11 HB1 CYS 11 5.368 5.536 3.609 75 H SER 12 HN SER 12 7.135 4.577 3.506 76 HA SER 12 HA SER 12 9.020 3.394 1.504 77 HB2 SER 12 HB2 SER 12 10.435 2.733 3.294 78 HB3 SER 12 HB1 SER 12 9.948 4.375 3.702 79 HG SER 12 HG SER 12 8.387 3.516 5.081 80 H LEU 13 HN LEU 13 9.180 0.996 1.596 81 HA LEU 13 HA LEU 13 6.706 -0.315 1.462 82 HB2 LEU 13 HB2 LEU 13 9.321 -1.067 1.054 83 HB3 LEU 13 HB1 LEU 13 8.880 -2.029 2.466 84 HG LEU 13 HG LEU 13 6.674 -2.479 1.052 85 HD11 LEU 13 HD11 LEU 13 8.626 -2.345 -1.217 86 HD12 LEU 13 HD12 LEU 13 7.796 -0.865 -0.734 87 HD13 LEU 13 HD13 LEU 13 6.864 -2.271 -1.249 88 HD21 LEU 13 HD21 LEU 13 9.048 -3.956 0.004 89 HD22 LEU 13 HD22 LEU 13 7.540 -4.582 0.671 90 HD23 LEU 13 HD23 LEU 13 8.798 -3.976 1.749 91 H TYR 14 HN TYR 14 8.572 0.555 4.264 92 HA TYR 14 HA TYR 14 7.420 -1.314 6.119 93 HB2 TYR 14 HB2 TYR 14 9.446 0.047 6.613 94 HB3 TYR 14 HB1 TYR 14 8.442 1.502 6.632 95 HD1 TYR 14 HD2 TYR 14 6.595 1.753 8.444 96 HD2 TYR 14 HD1 TYR 14 9.392 -1.536 8.564 97 HE1 TYR 14 HE2 TYR 14 5.980 1.291 10.774 98 HE2 TYR 14 HE1 TYR 14 8.758 -1.968 10.893 99 HH TYR 14 HH TYR 14 6.130 -0.202 12.456 100 H GLN 15 HN GLN 15 6.542 2.047 5.253 101 HA GLN 15 HA GLN 15 4.266 2.240 6.948 102 HB2 GLN 15 HB2 GLN 15 5.258 3.634 4.531 103 HB3 GLN 15 HB1 GLN 15 3.512 3.714 4.769 104 HG2 GLN 15 HG2 GLN 15 3.753 5.203 6.441 105 HG3 GLN 15 HG1 GLN 15 4.880 4.138 7.282 106 HE21 GLN 15 HE21 GLN 15 5.155 7.068 7.030 107 HE22 GLN 15 HE22 GLN 15 6.602 7.346 6.188 108 H LEU 16 HN LEU 16 4.654 0.894 3.691 109 HA LEU 16 HA LEU 16 1.866 0.346 3.253 110 HB2 LEU 16 HB2 LEU 16 4.425 -0.789 2.121 111 HB3 LEU 16 HB1 LEU 16 2.854 -1.452 1.667 112 HG LEU 16 HG LEU 16 2.226 1.054 1.215 113 HD11 LEU 16 HD11 LEU 16 4.302 1.982 2.184 114 HD12 LEU 16 HD12 LEU 16 4.163 2.395 0.475 115 HD13 LEU 16 HD13 LEU 16 5.252 1.106 0.984 116 HD21 LEU 16 HD21 LEU 16 3.513 -1.022 -0.375 117 HD22 LEU 16 HD22 LEU 16 3.860 0.587 -1.009 118 HD23 LEU 16 HD23 LEU 16 2.189 0.058 -0.813 119 H GLU 17 HN GLU 17 4.475 -1.430 4.852 120 HA GLU 17 HA GLU 17 3.182 -3.923 5.165 121 HB2 GLU 17 HB2 GLU 17 5.255 -2.389 6.686 122 HB3 GLU 17 HB1 GLU 17 4.534 -3.795 7.455 123 HG2 GLU 17 HG2 GLU 17 5.253 -4.298 4.669 124 HG3 GLU 17 HG1 GLU 17 6.644 -3.848 5.656 125 H ASN 18 HN ASN 18 2.678 -0.820 6.689 126 HA ASN 18 HA ASN 18 1.062 -1.839 8.882 127 HB2 ASN 18 HB2 ASN 18 2.290 0.421 8.772 128 HB3 ASN 18 HB1 ASN 18 0.951 0.966 7.760 129 HD21 ASN 18 HD21 ASN 18 1.636 -0.472 10.983 130 HD22 ASN 18 HD22 ASN 18 0.260 0.177 11.735 131 H TYR 19 HN TYR 19 0.519 -1.253 5.527 132 HA TYR 19 HA TYR 19 -2.332 -0.713 5.717 133 HB2 TYR 19 HB2 TYR 19 -0.637 -1.807 3.438 134 HB3 TYR 19 HB1 TYR 19 -2.359 -1.381 3.288 135 HD1 TYR 19 HD1 TYR 19 0.416 0.535 5.192 136 HD2 TYR 19 HD2 TYR 19 -2.362 0.646 1.879 137 HE1 TYR 19 HE1 TYR 19 1.024 2.844 4.725 138 HE2 TYR 19 HE2 TYR 19 -1.722 2.957 1.448 139 HH TYR 19 HH TYR 19 -0.321 4.605 1.955 140 H CYS 20 HN CYS 20 -0.302 -3.566 5.612 141 HA CYS 20 HA CYS 20 -2.578 -5.383 5.196 142 HB2 CYS 20 HB2 CYS 20 0.281 -6.056 5.952 143 HB3 CYS 20 HB1 CYS 20 -0.924 -7.155 5.281 144 H ASN 21 HN ASN 21 -3.187 -3.928 7.395 145 HA ASN 21 HA ASN 21 -2.199 -4.890 9.893 146 HB2 ASN 21 HB2 ASN 21 -4.377 -3.209 8.968 147 HB3 ASN 21 HB1 ASN 21 -4.908 -4.254 10.287 148 HD21 ASN 21 HD21 ASN 21 -4.966 -2.394 11.778 149 HD22 ASN 21 HD22 ASN 21 -3.528 -1.723 12.381 150 H1 PHE 22 HT1 PHE 22 13.734 -1.716 -2.158 151 H2 PHE 22 HT2 PHE 22 13.626 -3.267 -2.844 152 H3 PHE 22 HT3 PHE 22 12.367 -2.677 -1.868 153 HA PHE 22 HA PHE 22 13.166 -1.353 -4.391 154 HB2 PHE 22 HB2 PHE 22 11.132 -2.524 -5.345 155 HB3 PHE 22 HB1 PHE 22 12.508 -3.581 -5.031 156 HD1 PHE 22 HD2 PHE 22 12.567 -4.888 -2.836 157 HD2 PHE 22 HD1 PHE 22 9.047 -2.885 -4.275 158 HE1 PHE 22 HE2 PHE 22 11.164 -6.266 -1.323 159 HE2 PHE 22 HE1 PHE 22 7.645 -4.262 -2.761 160 HZ PHE 22 HZ PHE 22 8.703 -5.954 -1.285 161 H VAL 23 HN VAL 23 12.549 0.709 -3.807 162 HA VAL 23 HA VAL 23 9.689 1.108 -3.185 163 HB VAL 23 HB VAL 23 11.257 0.965 -1.047 164 HG11 VAL 23 HG11 VAL 23 12.438 2.857 -0.470 165 HG12 VAL 23 HG12 VAL 23 11.413 3.918 -1.434 166 HG13 VAL 23 HG13 VAL 23 12.632 2.917 -2.222 167 HG21 VAL 23 HG21 VAL 23 8.798 2.271 -1.717 168 HG22 VAL 23 HG22 VAL 23 9.656 3.256 -0.532 169 HG23 VAL 23 HG23 VAL 23 9.281 1.571 -0.173 170 H ASN 24 HN ASN 24 9.949 3.845 -2.587 171 HA ASN 24 HA ASN 24 10.364 5.948 -3.588 172 HB2 ASN 24 HB2 ASN 24 12.658 4.868 -4.115 173 HB3 ASN 24 HB1 ASN 24 11.987 4.551 -5.715 174 HD21 ASN 24 HD21 ASN 24 13.452 6.969 -3.737 175 HD22 ASN 24 HD22 ASN 24 13.229 8.279 -4.793 176 H GLN 25 HN GLN 25 7.996 4.927 -4.061 177 HA GLN 25 HA GLN 25 7.556 5.430 -6.963 178 HB2 GLN 25 HB2 GLN 25 7.126 2.923 -5.568 179 HB3 GLN 25 HB1 GLN 25 5.606 3.551 -6.204 180 HG2 GLN 25 HG2 GLN 25 6.470 3.658 -8.430 181 HG3 GLN 25 HG1 GLN 25 8.122 3.389 -7.874 182 HE21 GLN 25 HE21 GLN 25 5.533 1.534 -6.394 183 HE22 GLN 25 HE22 GLN 25 5.905 0.057 -7.143 184 H HIS 26 HN HIS 26 5.651 6.572 -7.379 185 HA HIS 26 HA HIS 26 4.332 7.735 -4.994 186 HB2 HIS 26 HB2 HIS 26 5.050 8.740 -7.504 187 HB3 HIS 26 HB1 HIS 26 3.301 8.539 -7.612 188 HD2 HIS 26 HD2 HIS 26 2.214 10.962 -6.895 189 HE1 HIS 26 HE1 HIS 26 4.866 11.823 -3.710 190 HE2 HIS 26 HE2 HIS 26 2.826 12.656 -5.013 191 H LEU 27 HN LEU 27 2.046 7.340 -4.576 192 HA LEU 27 HA LEU 27 0.607 5.664 -6.535 193 HB2 LEU 27 HB2 LEU 27 0.091 4.052 -4.509 194 HB3 LEU 27 HB1 LEU 27 1.552 3.839 -5.473 195 HG LEU 27 HG LEU 27 2.857 5.106 -3.829 196 HD11 LEU 27 HD11 LEU 27 1.546 5.524 -1.588 197 HD12 LEU 27 HD12 LEU 27 0.131 5.538 -2.640 198 HD13 LEU 27 HD13 LEU 27 1.430 6.704 -2.893 199 HD21 LEU 27 HD21 LEU 27 1.387 2.655 -3.228 200 HD22 LEU 27 HD22 LEU 27 1.883 3.513 -1.769 201 HD23 LEU 27 HD23 LEU 27 3.089 3.033 -2.963 202 H CYS 28 HN CYS 28 -1.616 5.687 -6.297 203 HA CYS 28 HA CYS 28 -2.721 7.265 -4.024 204 HB2 CYS 28 HB2 CYS 28 -3.004 7.655 -6.933 205 HB3 CYS 28 HB1 CYS 28 -4.537 7.638 -6.068 206 H GLY 29 HN GLY 29 -5.435 6.837 -4.700 207 HA2 GLY 29 HA2 GLY 29 -6.193 4.568 -3.413 208 HA3 GLY 29 HA1 GLY 29 -7.124 5.182 -4.774 209 H SER 30 HN SER 30 -5.987 4.502 -7.010 210 HA SER 30 HA SER 30 -6.134 1.624 -7.076 211 HB2 SER 30 HB2 SER 30 -6.169 1.854 -9.352 212 HB3 SER 30 HB1 SER 30 -6.527 3.526 -8.932 213 HG SER 30 HG SER 30 -4.302 3.971 -9.121 214 H ASP 31 HN ASP 31 -3.346 3.863 -7.278 215 HA ASP 31 HA ASP 31 -1.476 1.713 -7.786 216 HB2 ASP 31 HB2 ASP 31 -0.608 4.212 -6.400 217 HB3 ASP 31 HB1 ASP 31 0.181 3.330 -7.701 218 H LEU 32 HN LEU 32 -3.097 2.933 -5.003 219 HA LEU 32 HA LEU 32 -1.241 1.994 -2.994 220 HB2 LEU 32 HB2 LEU 32 -3.965 3.098 -3.083 221 HB3 LEU 32 HB1 LEU 32 -3.758 1.870 -1.834 222 HG LEU 32 HG LEU 32 -1.526 3.205 -1.340 223 HD11 LEU 32 HD11 LEU 32 -3.331 5.344 -2.514 224 HD12 LEU 32 HD12 LEU 32 -1.871 4.734 -3.292 225 HD13 LEU 32 HD13 LEU 32 -1.757 5.597 -1.758 226 HD21 LEU 32 HD21 LEU 32 -4.302 4.154 -0.557 227 HD22 LEU 32 HD22 LEU 32 -2.816 4.594 0.285 228 HD23 LEU 32 HD23 LEU 32 -3.353 2.914 0.264 229 H VAL 33 HN VAL 33 -4.497 0.701 -3.744 230 HA VAL 33 HA VAL 33 -4.237 -1.826 -2.623 231 HB VAL 33 HB VAL 33 -5.833 -2.625 -4.343 232 HG11 VAL 33 HG11 VAL 33 -7.082 -1.465 -2.800 233 HG12 VAL 33 HG12 VAL 33 -7.356 -0.421 -4.195 234 HG13 VAL 33 HG13 VAL 33 -6.137 0.012 -2.996 235 HG21 VAL 33 HG21 VAL 33 -4.742 -0.242 -5.755 236 HG22 VAL 33 HG22 VAL 33 -6.446 -0.615 -6.001 237 HG23 VAL 33 HG23 VAL 33 -5.212 -1.809 -6.409 238 H GLU 34 HN GLU 34 -2.811 -0.580 -5.566 239 HA GLU 34 HA GLU 34 -1.849 -3.103 -6.579 240 HB2 GLU 34 HB2 GLU 34 -1.496 -0.234 -7.181 241 HB3 GLU 34 HB1 GLU 34 -0.087 -1.227 -7.542 242 HG2 GLU 34 HG2 GLU 34 -1.229 -2.513 -9.117 243 HG3 GLU 34 HG1 GLU 34 -2.803 -2.171 -8.398 244 H ALA 35 HN ALA 35 -0.207 -0.439 -4.826 245 HA ALA 35 HA ALA 35 2.245 -1.809 -4.427 246 HB1 ALA 35 HB1 ALA 35 2.700 -0.199 -2.690 247 HB2 ALA 35 HB2 ALA 35 0.981 0.118 -2.456 248 HB3 ALA 35 HB3 ALA 35 1.781 0.642 -3.937 249 H LEU 36 HN LEU 36 -0.537 -1.518 -2.164 250 HA LEU 36 HA LEU 36 0.433 -3.304 -0.206 251 HB2 LEU 36 HB2 LEU 36 -2.436 -2.962 -1.140 252 HB3 LEU 36 HB1 LEU 36 -1.939 -3.675 0.391 253 HG LEU 36 HG LEU 36 -2.259 -1.560 1.175 254 HD11 LEU 36 HD11 LEU 36 -0.243 -0.200 1.166 255 HD12 LEU 36 HD12 LEU 36 0.353 -1.037 -0.264 256 HD13 LEU 36 HD13 LEU 36 0.210 -1.900 1.266 257 HD21 LEU 36 HD21 LEU 36 -1.448 0.049 -1.143 258 HD22 LEU 36 HD22 LEU 36 -2.918 0.136 -0.173 259 HD23 LEU 36 HD23 LEU 36 -2.790 -1.044 -1.477 260 H TYR 37 HN TYR 37 -0.712 -3.853 -3.412 261 HA TYR 37 HA TYR 37 -1.211 -6.718 -3.000 262 HB2 TYR 37 HB2 TYR 37 -2.544 -5.455 -4.639 263 HB3 TYR 37 HB1 TYR 37 -1.074 -5.044 -5.529 264 HD1 TYR 37 HD1 TYR 37 -1.903 -8.377 -3.892 265 HD2 TYR 37 HD2 TYR 37 -1.331 -6.311 -7.641 266 HE1 TYR 37 HE1 TYR 37 -2.007 -10.506 -5.105 267 HE2 TYR 37 HE2 TYR 37 -1.437 -8.458 -8.823 268 HH TYR 37 HH TYR 37 -1.287 -11.466 -7.201 269 H LEU 38 HN LEU 38 1.514 -4.799 -3.355 270 HA LEU 38 HA LEU 38 3.032 -6.998 -4.682 271 HB2 LEU 38 HB2 LEU 38 4.494 -4.511 -4.072 272 HB3 LEU 38 HB1 LEU 38 4.449 -5.446 -5.564 273 HG LEU 38 HG LEU 38 2.215 -3.641 -4.625 274 HD11 LEU 38 HD11 LEU 38 4.396 -2.475 -5.210 275 HD12 LEU 38 HD12 LEU 38 3.009 -2.005 -6.193 276 HD13 LEU 38 HD13 LEU 38 4.210 -3.124 -6.839 277 HD21 LEU 38 HD21 LEU 38 1.430 -5.390 -6.101 278 HD22 LEU 38 HD22 LEU 38 2.764 -5.101 -7.218 279 HD23 LEU 38 HD23 LEU 38 1.501 -3.886 -7.018 280 H VAL 39 HN VAL 39 3.255 -4.727 -1.942 281 HA VAL 39 HA VAL 39 5.455 -6.080 -0.685 282 HB VAL 39 HB VAL 39 5.137 -4.582 1.105 283 HG11 VAL 39 HG11 VAL 39 5.013 -2.525 0.038 284 HG12 VAL 39 HG12 VAL 39 3.641 -3.009 -0.959 285 HG13 VAL 39 HG13 VAL 39 5.262 -3.589 -1.346 286 HG21 VAL 39 HG21 VAL 39 3.051 -4.842 2.024 287 HG22 VAL 39 HG22 VAL 39 2.264 -4.975 0.451 288 HG23 VAL 39 HG23 VAL 39 2.710 -3.390 1.083 289 H CYS 40 HN CYS 40 2.009 -6.630 -0.694 290 HA CYS 40 HA CYS 40 2.432 -8.825 1.295 291 HB2 CYS 40 HB2 CYS 40 0.140 -6.902 0.943 292 HB3 CYS 40 HB1 CYS 40 -0.121 -8.479 1.686 293 H GLY 41 HN GLY 41 1.241 -7.904 -1.836 294 HA2 GLY 41 HA2 GLY 41 0.033 -9.149 -3.461 295 HA3 GLY 41 HA1 GLY 41 1.188 -10.401 -3.007 296 H GLU 42 HN GLU 42 -1.126 -9.094 -0.739 297 HA GLU 42 HA GLU 42 -2.736 -10.201 0.539 298 HB2 GLU 42 HB2 GLU 42 -3.943 -9.909 -1.664 299 HB3 GLU 42 HB1 GLU 42 -3.443 -11.553 -2.074 300 HG2 GLU 42 HG2 GLU 42 -5.669 -11.619 -1.077 301 HG3 GLU 42 HG1 GLU 42 -4.518 -12.367 0.020 302 H ARG 43 HN ARG 43 -1.360 -11.461 1.794 303 HA ARG 43 HA ARG 43 -0.287 -13.983 0.853 304 HB2 ARG 43 HB2 ARG 43 0.324 -12.213 2.812 305 HB3 ARG 43 HB1 ARG 43 -0.505 -13.446 3.743 306 HG2 ARG 43 HG2 ARG 43 1.964 -13.844 3.568 307 HG3 ARG 43 HG1 ARG 43 1.009 -15.163 2.889 308 HD2 ARG 43 HD2 ARG 43 1.469 -13.165 0.865 309 HD3 ARG 43 HD1 ARG 43 3.007 -13.642 1.584 310 HE ARG 43 HE ARG 43 1.161 -15.802 0.730 311 HH11 ARG 43 HH21 ARG 43 3.417 -13.659 -0.573 312 HH12 ARG 43 HH22 ARG 43 4.415 -14.881 -1.288 313 HH21 ARG 43 HH11 ARG 43 2.698 -17.514 0.176 314 HH22 ARG 43 HH12 ARG 43 4.008 -17.064 -0.864 315 H GLY 44 HN GLY 44 -2.941 -14.160 0.333 316 HA2 GLY 44 HA2 GLY 44 -3.864 -16.538 1.287 317 HA3 GLY 44 HA1 GLY 44 -4.360 -15.433 2.567 318 H GLY 45 HN GLY 45 -4.465 -15.554 -1.027 319 HA2 GLY 45 HA2 GLY 45 -6.663 -15.637 -2.159 320 HA3 GLY 45 HA1 GLY 45 -7.321 -14.686 -0.827 321 H PHE 46 HN PHE 46 -7.997 -12.864 -1.968 322 HA PHE 46 HA PHE 46 -5.846 -11.359 -3.411 323 HB2 PHE 46 HB2 PHE 46 -7.945 -10.238 -4.542 324 HB3 PHE 46 HB1 PHE 46 -7.334 -11.812 -5.136 325 HD1 PHE 46 HD1 PHE 46 -9.678 -10.614 -2.298 326 HD2 PHE 46 HD2 PHE 46 -9.054 -13.552 -5.412 327 HE1 PHE 46 HE1 PHE 46 -11.800 -11.689 -1.746 328 HE2 PHE 46 HE2 PHE 46 -11.187 -14.592 -4.831 329 HZ PHE 46 HZ PHE 46 -12.566 -13.673 -3.000 330 H TYR 47 HN TYR 47 -6.626 -8.870 -3.491 331 HA TYR 47 HA TYR 47 -6.328 -7.719 -1.021 332 HB2 TYR 47 HB2 TYR 47 -6.986 -6.787 -3.545 333 HB3 TYR 47 HB1 TYR 47 -8.381 -6.279 -2.550 334 HD1 TYR 47 HD1 TYR 47 -4.687 -6.643 -1.479 335 HD2 TYR 47 HD2 TYR 47 -7.958 -3.869 -2.069 336 HE1 TYR 47 HE1 TYR 47 -3.378 -4.836 -0.483 337 HE2 TYR 47 HE2 TYR 47 -6.611 -2.099 -1.071 338 HH TYR 47 HH TYR 47 -4.682 -1.538 -0.190 339 H THR 48 HN THR 48 -9.584 -7.667 -2.384 340 HA THR 48 HA THR 48 -11.640 -8.385 -1.450 341 HB THR 48 HB THR 48 -10.048 -8.975 1.060 342 HG1 THR 48 HG1 THR 48 -9.516 -10.693 0.006 343 HG21 THR 48 HG21 THR 48 -12.393 -8.504 1.490 344 HG22 THR 48 HG22 THR 48 -12.072 -10.227 1.689 345 HG23 THR 48 HG23 THR 48 -12.868 -9.641 0.228 346 H LYS 49 HN LYS 49 -9.447 -6.189 0.017 347 HA LYS 49 HA LYS 49 -11.359 -4.134 0.347 348 HB2 LYS 49 HB2 LYS 49 -11.940 -5.956 2.203 349 HB3 LYS 49 HB1 LYS 49 -10.634 -5.143 3.067 350 HG2 LYS 49 HG2 LYS 49 -11.866 -2.948 2.419 351 HG3 LYS 49 HG1 LYS 49 -13.249 -3.997 2.103 352 HD2 LYS 49 HD2 LYS 49 -12.539 -4.959 4.513 353 HD3 LYS 49 HD1 LYS 49 -11.948 -3.307 4.690 354 HE2 LYS 49 HE2 LYS 49 -14.470 -3.052 3.482 355 HE3 LYS 49 HE1 LYS 49 -14.680 -4.282 4.728 356 HZ1 LYS 49 HZ1 LYS 49 -14.993 -2.354 5.906 357 HZ2 LYS 49 HZ2 LYS 49 -13.850 -1.476 5.008 358 HZ3 LYS 49 HZ3 LYS 49 -13.337 -2.615 6.160 359 HA PRO 50 HA PRO 50 -7.327 -2.342 0.729 360 HB2 PRO 50 HB2 PRO 50 -8.155 0.268 0.571 361 HB3 PRO 50 HB1 PRO 50 -7.994 -0.798 -0.836 362 HG2 PRO 50 HG2 PRO 50 -10.471 0.113 0.556 363 HG3 PRO 50 HG1 PRO 50 -10.244 -0.368 -1.134 364 HD2 PRO 50 HD2 PRO 50 -11.372 -1.971 0.898 365 HD3 PRO 50 HD1 PRO 50 -10.813 -2.542 -0.689 366 H THR 51 HN THR 51 -6.128 -1.488 2.457 367 HA THR 51 HA THR 51 -7.359 0.017 4.612 368 HB THR 51 HB THR 51 -6.368 -2.195 6.053 369 HG1 THR 51 HG1 THR 51 -8.020 -3.715 5.094 370 HG21 THR 51 HG21 THR 51 -8.370 -1.979 7.126 371 HG22 THR 51 HG22 THR 51 -9.291 -1.978 5.622 372 HG23 THR 51 HG23 THR 51 -8.484 -0.507 6.162 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -2.439 9.221 6.770 2 H2 GLY 1 HT2 GLY 1 -2.377 10.622 5.810 3 H3 GLY 1 HT3 GLY 1 -2.146 10.731 7.489 4 HA2 GLY 1 HA1 GLY 1 -0.133 10.505 5.730 5 HA3 GLY 1 HA2 GLY 1 0.032 10.169 7.481 6 H ILE 2 HN ILE 2 -1.760 8.615 4.725 7 HA ILE 2 HA ILE 2 0.528 6.758 4.259 8 HB ILE 2 HB ILE 2 -2.432 6.488 3.655 9 HG12 ILE 2 HG12 ILE 2 -1.541 6.231 6.051 10 HG13 ILE 2 HG11 ILE 2 -2.452 4.866 5.406 11 HG21 ILE 2 HG21 ILE 2 -1.350 5.328 1.895 12 HG22 ILE 2 HG22 ILE 2 -1.668 4.080 3.099 13 HG23 ILE 2 HG23 ILE 2 -0.051 4.768 2.947 14 HD11 ILE 2 HD11 ILE 2 -0.648 3.497 5.464 15 HD12 ILE 2 HD12 ILE 2 0.076 4.711 6.519 16 HD13 ILE 2 HD13 ILE 2 0.414 4.733 4.788 17 H VAL 3 HN VAL 3 -1.662 9.014 2.663 18 HA VAL 3 HA VAL 3 -0.584 8.365 0.010 19 HB VAL 3 HB VAL 3 -2.275 9.697 -0.860 20 HG11 VAL 3 HG11 VAL 3 -2.982 8.145 1.371 21 HG12 VAL 3 HG12 VAL 3 -4.059 8.718 0.100 22 HG13 VAL 3 HG13 VAL 3 -3.852 9.664 1.573 23 HG21 VAL 3 HG21 VAL 3 -3.224 11.666 0.296 24 HG22 VAL 3 HG22 VAL 3 -1.469 11.802 0.169 25 HG23 VAL 3 HG23 VAL 3 -2.208 11.332 1.700 26 H GLU 4 HN GLU 4 -0.379 10.992 2.349 27 HA GLU 4 HA GLU 4 1.300 12.678 0.723 28 HB2 GLU 4 HB2 GLU 4 1.241 12.716 3.739 29 HB3 GLU 4 HB1 GLU 4 1.482 14.067 2.630 30 HG2 GLU 4 HG2 GLU 4 -0.918 13.388 1.765 31 HG3 GLU 4 HG1 GLU 4 -1.056 12.646 3.360 32 H GLN 5 HN GLN 5 1.931 9.893 2.656 33 HA GLN 5 HA GLN 5 4.798 10.543 2.927 34 HB2 GLN 5 HB2 GLN 5 3.208 8.082 3.715 35 HB3 GLN 5 HB1 GLN 5 4.926 8.309 4.040 36 HG2 GLN 5 HG2 GLN 5 2.855 10.314 4.948 37 HG3 GLN 5 HG1 GLN 5 3.308 8.926 5.938 38 HE21 GLN 5 HE21 GLN 5 6.075 8.775 5.502 39 HE22 GLN 5 HE22 GLN 5 6.820 10.194 6.059 40 H CYS 6 HN CYS 6 2.687 8.431 1.015 41 HA CYS 6 HA CYS 6 5.106 7.458 -0.433 42 HB2 CYS 6 HB2 CYS 6 2.280 6.374 -0.596 43 HB3 CYS 6 HB1 CYS 6 3.745 5.632 -1.240 44 H CYS 7 HN CYS 7 1.880 8.900 -1.014 45 HA CYS 7 HA CYS 7 2.154 9.011 -3.854 46 HB2 CYS 7 HB2 CYS 7 0.036 9.462 -2.461 47 HB3 CYS 7 HB1 CYS 7 0.666 11.099 -2.264 48 H THR 8 HN THR 8 3.689 10.844 -1.367 49 HA THR 8 HA THR 8 4.469 12.934 -3.353 50 HB THR 8 HB THR 8 5.043 14.341 -1.521 51 HG1 THR 8 HG1 THR 8 5.899 13.478 0.167 52 HG21 THR 8 HG21 THR 8 2.902 13.417 0.087 53 HG22 THR 8 HG22 THR 8 2.490 13.016 -1.581 54 HG23 THR 8 HG23 THR 8 2.857 14.684 -1.140 55 H SER 9 HN SER 9 5.731 10.538 -1.088 56 HA SER 9 HA SER 9 8.438 10.915 -2.288 57 HB2 SER 9 HB2 SER 9 7.563 10.597 0.407 58 HB3 SER 9 HB1 SER 9 8.469 9.151 -0.025 59 HG SER 9 HG SER 9 10.232 10.307 -0.168 60 H ILE 10 HN ILE 10 9.334 8.281 -1.408 61 HA ILE 10 HA ILE 10 7.630 6.532 -3.130 62 HB ILE 10 HB ILE 10 10.636 6.321 -3.078 63 HG12 ILE 10 HG12 ILE 10 9.998 8.640 -3.755 64 HG13 ILE 10 HG11 ILE 10 10.716 7.724 -5.081 65 HG21 ILE 10 HG21 ILE 10 9.813 5.573 -5.537 66 HG22 ILE 10 HG22 ILE 10 8.352 5.205 -4.620 67 HG23 ILE 10 HG23 ILE 10 9.885 4.453 -4.176 68 HD11 ILE 10 HD11 ILE 10 7.935 7.182 -5.145 69 HD12 ILE 10 HD12 ILE 10 8.870 8.125 -6.306 70 HD13 ILE 10 HD13 ILE 10 8.100 8.925 -4.935 71 H CYS 11 HN CYS 11 6.767 5.713 -1.087 72 HA CYS 11 HA CYS 11 8.362 4.637 1.004 73 HB2 CYS 11 HB2 CYS 11 5.651 3.659 0.061 74 HB3 CYS 11 HB1 CYS 11 6.372 3.361 1.643 75 H SER 12 HN SER 12 8.388 2.193 1.489 76 HA SER 12 HA SER 12 9.178 0.749 -1.007 77 HB2 SER 12 HB2 SER 12 10.736 -0.522 0.360 78 HB3 SER 12 HB1 SER 12 11.009 1.192 0.659 79 HG SER 12 HG SER 12 10.862 0.287 2.644 80 H LEU 13 HN LEU 13 8.372 -1.375 -1.281 81 HA LEU 13 HA LEU 13 5.815 -2.020 -0.444 82 HB2 LEU 13 HB2 LEU 13 7.889 -3.380 -1.789 83 HB3 LEU 13 HB1 LEU 13 7.398 -4.447 -0.473 84 HG LEU 13 HG LEU 13 4.964 -3.888 -1.245 85 HD11 LEU 13 HD11 LEU 13 6.568 -2.465 -3.177 86 HD12 LEU 13 HD12 LEU 13 4.813 -2.503 -3.017 87 HD13 LEU 13 HD13 LEU 13 5.635 -3.718 -3.995 88 HD21 LEU 13 HD21 LEU 13 6.160 -5.498 -3.388 89 HD22 LEU 13 HD22 LEU 13 5.023 -5.978 -2.129 90 HD23 LEU 13 HD23 LEU 13 6.753 -5.946 -1.789 91 H TYR 14 HN TYR 14 8.784 -2.293 1.384 92 HA TYR 14 HA TYR 14 7.861 -4.044 3.449 93 HB2 TYR 14 HB2 TYR 14 10.203 -3.609 3.365 94 HB3 TYR 14 HB1 TYR 14 9.955 -1.859 3.360 95 HD1 TYR 14 HD1 TYR 14 9.071 -4.864 5.573 96 HD2 TYR 14 HD2 TYR 14 10.190 -0.694 5.478 97 HE1 TYR 14 HE1 TYR 14 9.151 -4.807 8.026 98 HE2 TYR 14 HE2 TYR 14 10.255 -0.669 7.928 99 HH TYR 14 HH TYR 14 9.713 -1.795 9.790 100 H GLN 15 HN GLN 15 7.797 -0.481 3.161 101 HA GLN 15 HA GLN 15 6.474 -0.043 5.678 102 HB2 GLN 15 HB2 GLN 15 6.520 1.643 3.155 103 HB3 GLN 15 HB1 GLN 15 5.919 2.193 4.720 104 HG2 GLN 15 HG2 GLN 15 8.074 2.005 5.726 105 HG3 GLN 15 HG1 GLN 15 8.713 1.099 4.353 106 HE21 GLN 15 HE21 GLN 15 7.353 4.328 5.176 107 HE22 GLN 15 HE22 GLN 15 8.244 5.170 4.002 108 H LEU 16 HN LEU 16 5.241 -0.210 2.325 109 HA LEU 16 HA LEU 16 2.501 0.136 2.929 110 HB2 LEU 16 HB2 LEU 16 3.956 -1.334 0.739 111 HB3 LEU 16 HB1 LEU 16 2.196 -1.369 0.831 112 HG LEU 16 HG LEU 16 2.271 1.167 0.964 113 HD11 LEU 16 HD11 LEU 16 5.153 0.556 0.281 114 HD12 LEU 16 HD12 LEU 16 4.537 1.568 1.588 115 HD13 LEU 16 HD13 LEU 16 4.407 2.113 -0.083 116 HD21 LEU 16 HD21 LEU 16 3.466 0.743 -1.637 117 HD22 LEU 16 HD22 LEU 16 1.778 1.053 -1.234 118 HD23 LEU 16 HD23 LEU 16 2.395 -0.599 -1.236 119 H GLU 17 HN GLU 17 4.580 -2.682 3.222 120 HA GLU 17 HA GLU 17 2.594 -4.674 3.539 121 HB2 GLU 17 HB2 GLU 17 5.401 -4.330 4.585 122 HB3 GLU 17 HB1 GLU 17 4.427 -5.717 5.052 123 HG2 GLU 17 HG2 GLU 17 4.207 -5.330 2.213 124 HG3 GLU 17 HG1 GLU 17 5.911 -5.391 2.664 125 H ASN 18 HN ASN 18 3.919 -2.285 5.778 126 HA ASN 18 HA ASN 18 2.553 -3.368 8.108 127 HB2 ASN 18 HB2 ASN 18 4.630 -1.892 8.152 128 HB3 ASN 18 HB1 ASN 18 3.574 -0.540 7.740 129 HD21 ASN 18 HD21 ASN 18 2.710 0.543 9.514 130 HD22 ASN 18 HD22 ASN 18 2.526 -0.119 11.066 131 H TYR 19 HN TYR 19 1.700 -1.257 5.482 132 HA TYR 19 HA TYR 19 -0.410 0.216 6.706 133 HB2 TYR 19 HB2 TYR 19 -0.188 -0.812 3.845 134 HB3 TYR 19 HB1 TYR 19 -1.332 0.444 4.404 135 HD1 TYR 19 HD1 TYR 19 1.586 0.878 6.443 136 HD2 TYR 19 HD2 TYR 19 0.315 1.647 2.381 137 HE1 TYR 19 HE1 TYR 19 3.316 2.580 6.184 138 HE2 TYR 19 HE2 TYR 19 2.050 3.335 2.167 139 HH TYR 19 HH TYR 19 3.488 4.810 4.511 140 H CYS 20 HN CYS 20 -0.118 -3.126 6.050 141 HA CYS 20 HA CYS 20 -3.043 -3.557 5.945 142 HB2 CYS 20 HB2 CYS 20 -0.844 -5.640 6.041 143 HB3 CYS 20 HB1 CYS 20 -2.517 -5.875 5.532 144 H ASN 21 HN ASN 21 -2.539 -2.354 8.294 145 HA ASN 21 HA ASN 21 -2.089 -4.435 10.355 146 HB2 ASN 21 HB2 ASN 21 -2.430 -2.396 11.904 147 HB3 ASN 21 HB1 ASN 21 -0.980 -2.412 10.899 148 HD21 ASN 21 HD21 ASN 21 -0.640 -0.500 9.772 149 HD22 ASN 21 HD22 ASN 21 -1.854 0.596 9.316 150 H1 PHE 22 HT1 PHE 22 9.735 -5.328 -4.237 151 H2 PHE 22 HT2 PHE 22 11.362 -5.809 -4.334 152 H3 PHE 22 HT3 PHE 22 10.210 -6.480 -5.387 153 HA PHE 22 HA PHE 22 11.820 -4.315 -5.874 154 HB2 PHE 22 HB2 PHE 22 10.978 -4.558 -8.001 155 HB3 PHE 22 HB1 PHE 22 10.398 -6.071 -7.316 156 HD1 PHE 22 HD2 PHE 22 8.081 -5.541 -5.808 157 HD2 PHE 22 HD1 PHE 22 9.409 -3.528 -9.366 158 HE1 PHE 22 HE2 PHE 22 5.743 -4.864 -6.301 159 HE2 PHE 22 HE1 PHE 22 7.074 -2.852 -9.857 160 HZ PHE 22 HZ PHE 22 5.241 -3.521 -8.325 161 H VAL 23 HN VAL 23 11.090 -2.113 -6.631 162 HA VAL 23 HA VAL 23 8.594 -1.065 -5.535 163 HB VAL 23 HB VAL 23 10.445 -1.255 -3.649 164 HG11 VAL 23 HG11 VAL 23 11.913 0.247 -5.319 165 HG12 VAL 23 HG12 VAL 23 12.062 0.367 -3.566 166 HG13 VAL 23 HG13 VAL 23 11.085 1.538 -4.448 167 HG21 VAL 23 HG21 VAL 23 9.470 1.267 -3.071 168 HG22 VAL 23 HG22 VAL 23 8.636 -0.251 -2.741 169 HG23 VAL 23 HG23 VAL 23 8.288 0.642 -4.221 170 H ASN 24 HN ASN 24 9.496 1.618 -5.383 171 HA ASN 24 HA ASN 24 10.280 3.432 -6.711 172 HB2 ASN 24 HB2 ASN 24 11.839 1.702 -7.808 173 HB3 ASN 24 HB1 ASN 24 10.584 1.536 -9.037 174 HD21 ASN 24 HD21 ASN 24 13.302 2.697 -9.413 175 HD22 ASN 24 HD22 ASN 24 13.060 4.294 -9.933 176 H GLN 25 HN GLN 25 7.977 3.918 -6.407 177 HA GLN 25 HA GLN 25 6.633 4.239 -8.977 178 HB2 GLN 25 HB2 GLN 25 6.072 1.891 -7.617 179 HB3 GLN 25 HB1 GLN 25 4.764 2.964 -7.116 180 HG2 GLN 25 HG2 GLN 25 4.133 3.394 -9.394 181 HG3 GLN 25 HG1 GLN 25 5.581 2.595 -10.008 182 HE21 GLN 25 HE21 GLN 25 2.400 2.021 -8.553 183 HE22 GLN 25 HE22 GLN 25 2.368 0.352 -8.859 184 H HIS 26 HN HIS 26 4.210 5.105 -8.322 185 HA HIS 26 HA HIS 26 4.388 6.844 -5.916 186 HB2 HIS 26 HB2 HIS 26 5.077 7.805 -8.431 187 HB3 HIS 26 HB1 HIS 26 3.380 8.258 -8.288 188 HD2 HIS 26 HD2 HIS 26 3.634 10.918 -7.534 189 HE1 HIS 26 HE1 HIS 26 6.344 10.294 -4.346 190 HE2 HIS 26 HE2 HIS 26 4.935 12.034 -5.575 191 H LEU 27 HN LEU 27 2.185 7.454 -5.186 192 HA LEU 27 HA LEU 27 -0.085 6.632 -6.851 193 HB2 LEU 27 HB2 LEU 27 -0.731 5.090 -4.704 194 HB3 LEU 27 HB1 LEU 27 0.019 4.472 -6.173 195 HG LEU 27 HG LEU 27 2.232 4.629 -5.181 196 HD11 LEU 27 HD11 LEU 27 2.465 6.386 -3.741 197 HD12 LEU 27 HD12 LEU 27 1.991 5.203 -2.527 198 HD13 LEU 27 HD13 LEU 27 0.792 6.296 -3.204 199 HD21 LEU 27 HD21 LEU 27 1.356 3.398 -2.834 200 HD22 LEU 27 HD22 LEU 27 1.701 2.600 -4.368 201 HD23 LEU 27 HD23 LEU 27 0.057 3.114 -3.990 202 H CYS 28 HN CYS 28 -2.103 7.306 -6.065 203 HA CYS 28 HA CYS 28 -2.159 8.735 -3.456 204 HB2 CYS 28 HB2 CYS 28 -2.549 9.911 -6.127 205 HB3 CYS 28 HB1 CYS 28 -3.874 10.237 -5.015 206 H GLY 29 HN GLY 29 -4.357 8.981 -2.629 207 HA2 GLY 29 HA2 GLY 29 -6.220 7.659 -1.904 208 HA3 GLY 29 HA1 GLY 29 -6.812 8.363 -3.402 209 H SER 30 HN SER 30 -7.722 6.912 -4.714 210 HA SER 30 HA SER 30 -8.061 4.237 -4.445 211 HB2 SER 30 HB2 SER 30 -7.470 5.617 -7.080 212 HB3 SER 30 HB1 SER 30 -8.272 4.059 -6.908 213 HG SER 30 HG SER 30 -9.967 5.352 -6.878 214 H ASP 31 HN ASP 31 -5.306 5.498 -6.402 215 HA ASP 31 HA ASP 31 -4.023 3.094 -6.942 216 HB2 ASP 31 HB2 ASP 31 -2.519 5.533 -5.972 217 HB3 ASP 31 HB1 ASP 31 -1.959 4.302 -7.103 218 H LEU 32 HN LEU 32 -3.826 4.981 -3.916 219 HA LEU 32 HA LEU 32 -1.962 3.357 -2.558 220 HB2 LEU 32 HB2 LEU 32 -4.105 5.233 -1.757 221 HB3 LEU 32 HB1 LEU 32 -3.684 4.030 -0.542 222 HG LEU 32 HG LEU 32 -1.409 4.721 -0.499 223 HD11 LEU 32 HD11 LEU 32 -0.478 5.200 -2.496 224 HD12 LEU 32 HD12 LEU 32 -1.130 6.828 -2.307 225 HD13 LEU 32 HD13 LEU 32 -2.038 5.612 -3.206 226 HD21 LEU 32 HD21 LEU 32 -1.695 6.782 0.473 227 HD22 LEU 32 HD22 LEU 32 -3.402 6.403 0.240 228 HD23 LEU 32 HD23 LEU 32 -2.561 7.430 -0.920 229 H VAL 33 HN VAL 33 -5.526 3.131 -2.135 230 HA VAL 33 HA VAL 33 -5.531 0.639 -0.834 231 HB VAL 33 HB VAL 33 -7.838 0.338 -1.808 232 HG11 VAL 33 HG11 VAL 33 -7.584 3.195 -0.944 233 HG12 VAL 33 HG12 VAL 33 -7.086 1.922 0.172 234 HG13 VAL 33 HG13 VAL 33 -8.744 1.971 -0.429 235 HG21 VAL 33 HG21 VAL 33 -8.737 2.064 -3.253 236 HG22 VAL 33 HG22 VAL 33 -7.266 1.441 -4.000 237 HG23 VAL 33 HG23 VAL 33 -7.239 2.989 -3.154 238 H GLU 34 HN GLU 34 -4.941 1.403 -4.177 239 HA GLU 34 HA GLU 34 -5.294 -1.344 -5.118 240 HB2 GLU 34 HB2 GLU 34 -4.584 1.278 -6.284 241 HB3 GLU 34 HB1 GLU 34 -3.770 -0.096 -7.030 242 HG2 GLU 34 HG2 GLU 34 -6.317 -1.062 -6.806 243 HG3 GLU 34 HG1 GLU 34 -6.628 0.654 -7.079 244 H ALA 35 HN ALA 35 -2.437 0.817 -4.806 245 HA ALA 35 HA ALA 35 -0.513 -1.269 -5.132 246 HB1 ALA 35 HB1 ALA 35 0.231 0.912 -3.282 247 HB2 ALA 35 HB2 ALA 35 -0.373 1.455 -4.847 248 HB3 ALA 35 HB3 ALA 35 1.022 0.379 -4.765 249 H LEU 36 HN LEU 36 -2.187 0.044 -2.311 250 HA LEU 36 HA LEU 36 -0.802 -1.389 -0.268 251 HB2 LEU 36 HB2 LEU 36 -3.612 -0.293 -0.515 252 HB3 LEU 36 HB1 LEU 36 -3.086 -1.144 0.932 253 HG LEU 36 HG LEU 36 -2.844 1.537 0.607 254 HD11 LEU 36 HD11 LEU 36 -0.667 0.052 2.046 255 HD12 LEU 36 HD12 LEU 36 -2.344 -0.117 2.567 256 HD13 LEU 36 HD13 LEU 36 -1.577 1.472 2.562 257 HD21 LEU 36 HD21 LEU 36 -0.160 0.374 -0.217 258 HD22 LEU 36 HD22 LEU 36 -0.489 2.073 0.122 259 HD23 LEU 36 HD23 LEU 36 -1.235 1.291 -1.272 260 H TYR 37 HN TYR 37 -3.425 -2.227 -2.431 261 HA TYR 37 HA TYR 37 -4.094 -4.734 -1.137 262 HB2 TYR 37 HB2 TYR 37 -5.791 -3.646 -2.454 263 HB3 TYR 37 HB1 TYR 37 -4.729 -3.575 -3.864 264 HD1 TYR 37 HD1 TYR 37 -5.604 -6.391 -1.423 265 HD2 TYR 37 HD2 TYR 37 -5.464 -5.163 -5.561 266 HE1 TYR 37 HE1 TYR 37 -6.346 -8.621 -2.130 267 HE2 TYR 37 HE2 TYR 37 -6.211 -7.400 -6.234 268 HH TYR 37 HH TYR 37 -6.293 -9.631 -5.431 269 H LEU 38 HN LEU 38 -1.895 -3.755 -3.699 270 HA LEU 38 HA LEU 38 -1.346 -6.438 -4.634 271 HB2 LEU 38 HB2 LEU 38 0.861 -4.493 -4.890 272 HB3 LEU 38 HB1 LEU 38 0.087 -5.484 -6.124 273 HG LEU 38 HG LEU 38 -1.026 -2.945 -4.932 274 HD11 LEU 38 HD11 LEU 38 0.823 -2.537 -6.482 275 HD12 LEU 38 HD12 LEU 38 -0.703 -2.059 -7.226 276 HD13 LEU 38 HD13 LEU 38 0.062 -3.581 -7.683 277 HD21 LEU 38 HD21 LEU 38 -2.617 -3.330 -6.991 278 HD22 LEU 38 HD22 LEU 38 -2.941 -4.150 -5.464 279 HD23 LEU 38 HD23 LEU 38 -2.146 -5.017 -6.779 280 H VAL 39 HN VAL 39 0.727 -4.198 -2.775 281 HA VAL 39 HA VAL 39 2.683 -5.985 -1.943 282 HB VAL 39 HB VAL 39 3.156 -4.491 -0.161 283 HG11 VAL 39 HG11 VAL 39 3.278 -2.499 -1.300 284 HG12 VAL 39 HG12 VAL 39 1.581 -2.548 -1.775 285 HG13 VAL 39 HG13 VAL 39 2.766 -3.525 -2.640 286 HG21 VAL 39 HG21 VAL 39 0.900 -4.733 0.913 287 HG22 VAL 39 HG22 VAL 39 0.263 -3.581 -0.259 288 HG23 VAL 39 HG23 VAL 39 1.487 -3.072 0.902 289 H CYS 40 HN CYS 40 -0.654 -5.797 -0.934 290 HA CYS 40 HA CYS 40 -0.157 -8.063 0.955 291 HB2 CYS 40 HB2 CYS 40 -1.874 -5.641 1.147 292 HB3 CYS 40 HB1 CYS 40 -2.561 -7.142 1.767 293 H GLY 41 HN GLY 41 -0.603 -8.345 -1.896 294 HA2 GLY 41 HA2 GLY 41 -3.147 -8.797 -2.836 295 HA3 GLY 41 HA1 GLY 41 -1.823 -9.907 -3.190 296 H GLU 42 HN GLU 42 -1.332 -11.411 -1.158 297 HA GLU 42 HA GLU 42 -3.971 -12.328 -0.096 298 HB2 GLU 42 HB2 GLU 42 -3.080 -14.643 -0.204 299 HB3 GLU 42 HB1 GLU 42 -3.157 -13.891 -1.798 300 HG2 GLU 42 HG2 GLU 42 -0.653 -13.145 -0.960 301 HG3 GLU 42 HG1 GLU 42 -0.808 -14.747 -0.237 302 H ARG 43 HN ARG 43 -0.651 -11.587 0.576 303 HA ARG 43 HA ARG 43 -0.674 -12.846 3.219 304 HB2 ARG 43 HB2 ARG 43 1.524 -11.716 3.494 305 HB3 ARG 43 HB1 ARG 43 1.437 -12.649 2.002 306 HG2 ARG 43 HG2 ARG 43 1.835 -10.811 0.776 307 HG3 ARG 43 HG1 ARG 43 0.461 -9.986 1.513 308 HD2 ARG 43 HD2 ARG 43 2.524 -8.729 1.945 309 HD3 ARG 43 HD1 ARG 43 1.888 -9.385 3.454 310 HE ARG 43 HE ARG 43 3.737 -10.904 3.533 311 HH11 ARG 43 HH21 ARG 43 3.436 -9.430 0.444 312 HH12 ARG 43 HH22 ARG 43 5.096 -9.671 0.013 313 HH21 ARG 43 HH11 ARG 43 5.964 -11.059 3.069 314 HH22 ARG 43 HH12 ARG 43 6.527 -10.593 1.499 315 H GLY 44 HN GLY 44 -1.937 -11.948 4.767 316 HA2 GLY 44 HA2 GLY 44 -2.851 -10.324 6.194 317 HA3 GLY 44 HA1 GLY 44 -1.513 -9.281 5.711 318 H GLY 45 HN GLY 45 -4.835 -10.170 5.032 319 HA2 GLY 45 HA2 GLY 45 -5.080 -7.669 3.428 320 HA3 GLY 45 HA1 GLY 45 -5.742 -9.172 2.783 321 H PHE 46 HN PHE 46 -6.429 -6.474 4.696 322 HA PHE 46 HA PHE 46 -9.105 -7.493 5.286 323 HB2 PHE 46 HB2 PHE 46 -7.329 -8.180 7.169 324 HB3 PHE 46 HB1 PHE 46 -7.626 -6.497 7.701 325 HD1 PHE 46 HD2 PHE 46 -10.672 -6.948 6.177 326 HD2 PHE 46 HD1 PHE 46 -8.595 -8.727 9.529 327 HE1 PHE 46 HE2 PHE 46 -12.798 -7.626 7.174 328 HE2 PHE 46 HE1 PHE 46 -10.742 -9.384 10.489 329 HZ PHE 46 HZ PHE 46 -12.849 -8.840 9.323 330 H TYR 47 HN TYR 47 -7.592 -5.209 3.946 331 HA TYR 47 HA TYR 47 -8.280 -2.832 5.483 332 HB2 TYR 47 HB2 TYR 47 -6.461 -3.169 3.611 333 HB3 TYR 47 HB1 TYR 47 -7.824 -2.847 2.498 334 HD1 TYR 47 HD2 TYR 47 -9.208 -0.583 2.854 335 HD2 TYR 47 HD1 TYR 47 -5.436 -1.241 4.869 336 HE2 TYR 47 HE1 TYR 47 -5.283 1.157 5.314 337 H THR 101 HN THR 48 -9.981 -4.973 3.415 338 HA THR 101 HA THR 48 -12.422 -3.415 3.718 339 HB THR 101 HB THR 48 -11.357 -3.867 0.921 340 HG1 THR 101 HG1 THR 48 -11.698 -1.428 2.314 341 HG21 THR 101 HG21 THR 48 -13.954 -3.151 2.055 342 HG22 THR 101 HG22 THR 48 -13.547 -3.659 0.416 343 HG23 THR 101 HG23 THR 48 -13.378 -1.966 0.882 344 H LYS 102 HN LYS 49 -11.407 -5.708 1.219 345 HA LYS 102 HA LYS 49 -12.415 -8.065 2.443 346 HB2 LYS 102 HB2 LYS 49 -14.584 -6.864 2.331 347 HB3 LYS 102 HB1 LYS 49 -14.395 -6.714 0.584 348 HG2 LYS 102 HG2 LYS 49 -15.394 -8.723 0.382 349 HG3 LYS 102 HG1 LYS 49 -13.968 -9.438 1.138 350 HD2 LYS 102 HD2 LYS 49 -15.139 -8.661 3.374 351 HD3 LYS 102 HD1 LYS 49 -16.595 -8.688 2.377 352 HE2 LYS 102 HE2 LYS 49 -15.737 -11.053 1.646 353 HE3 LYS 102 HE1 LYS 49 -14.776 -10.964 3.124 354 HZ1 LYS 102 HZ1 LYS 49 -16.720 -10.701 4.421 355 HZ2 LYS 102 HZ2 LYS 49 -17.017 -12.004 3.373 356 HZ3 LYS 102 HZ3 LYS 49 -17.701 -10.483 3.054 357 HA PRO 103 HA PRO 50 -10.134 -8.795 -1.399 358 HB2 PRO 103 HB2 PRO 50 -8.808 -10.996 -0.419 359 HB3 PRO 103 HB1 PRO 50 -8.252 -9.329 -0.188 360 HG2 PRO 103 HG2 PRO 50 -9.567 -11.160 1.768 361 HG3 PRO 103 HG1 PRO 50 -8.445 -9.821 2.064 362 HD2 PRO 103 HD2 PRO 50 -11.244 -9.722 2.407 363 HD3 PRO 103 HD1 PRO 50 -10.158 -8.318 2.329 364 H THR 104 HN THR 51 -10.464 -10.437 -3.005 365 HA THR 104 HA THR 51 -11.574 -12.216 -4.061 366 HB THR 104 HB THR 51 -12.253 -13.345 -1.353 367 HG1 THR 104 HG1 THR 51 -10.163 -14.161 -1.263 368 HG21 THR 104 HG21 THR 51 -11.383 -14.562 -3.990 369 HG22 THR 104 HG22 THR 51 -13.037 -14.508 -3.380 370 HG23 THR 104 HG23 THR 51 -11.818 -15.466 -2.539 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -6.785 10.460 4.686 2 H2 GLY 1 HT2 GLY 1 -6.026 8.944 4.587 3 H3 GLY 1 HT3 GLY 1 -7.122 9.426 3.382 4 HA2 GLY 1 HA1 GLY 1 -5.372 10.279 2.285 5 HA3 GLY 1 HA2 GLY 1 -5.163 11.494 3.583 6 H ILE 2 HN ILE 2 -4.985 8.234 1.924 7 HA ILE 2 HA ILE 2 -2.188 7.810 2.781 8 HB ILE 2 HB ILE 2 -2.648 5.634 2.650 9 HG12 ILE 2 HG12 ILE 2 -4.011 5.769 -0.028 10 HG13 ILE 2 HG11 ILE 2 -2.259 5.960 0.080 11 HG21 ILE 2 HG21 ILE 2 -4.881 4.961 2.760 12 HG22 ILE 2 HG22 ILE 2 -5.407 6.166 1.584 13 HG23 ILE 2 HG23 ILE 2 -4.964 6.663 3.218 14 HD11 ILE 2 HD11 ILE 2 -3.328 3.559 -0.165 15 HD12 ILE 2 HD12 ILE 2 -3.529 3.722 1.580 16 HD13 ILE 2 HD13 ILE 2 -1.921 3.825 0.865 17 H VAL 3 HN VAL 3 -4.006 8.820 -0.006 18 HA VAL 3 HA VAL 3 -1.849 8.399 -1.912 19 HB VAL 3 HB VAL 3 -3.239 9.576 -3.474 20 HG11 VAL 3 HG11 VAL 3 -5.538 8.546 -2.050 21 HG12 VAL 3 HG12 VAL 3 -4.168 7.446 -1.894 22 HG13 VAL 3 HG13 VAL 3 -4.749 7.910 -3.493 23 HG21 VAL 3 HG21 VAL 3 -3.713 11.526 -2.001 24 HG22 VAL 3 HG22 VAL 3 -4.830 10.529 -1.068 25 HG23 VAL 3 HG23 VAL 3 -5.180 10.903 -2.756 26 H GLU 4 HN GLU 4 -2.346 10.624 0.574 27 HA GLU 4 HA GLU 4 -0.820 12.767 -0.804 28 HB2 GLU 4 HB2 GLU 4 -1.774 12.968 2.034 29 HB3 GLU 4 HB1 GLU 4 -1.636 14.232 0.810 30 HG2 GLU 4 HG2 GLU 4 -3.453 12.679 -0.418 31 HG3 GLU 4 HG1 GLU 4 -3.826 12.255 1.253 32 H GLN 5 HN GLN 5 -0.308 10.086 1.198 33 HA GLN 5 HA GLN 5 2.192 11.261 2.325 34 HB2 GLN 5 HB2 GLN 5 0.415 10.033 3.776 35 HB3 GLN 5 HB1 GLN 5 1.068 8.561 3.054 36 HG2 GLN 5 HG2 GLN 5 3.344 9.240 3.809 37 HG3 GLN 5 HG1 GLN 5 2.632 10.641 4.610 38 HE21 GLN 5 HE21 GLN 5 3.514 9.615 6.662 39 HE22 GLN 5 HE22 GLN 5 2.604 8.393 7.410 40 H CYS 6 HN CYS 6 0.934 8.651 0.300 41 HA CYS 6 HA CYS 6 3.675 7.620 -0.154 42 HB2 CYS 6 HB2 CYS 6 1.013 6.656 -1.245 43 HB3 CYS 6 HB1 CYS 6 2.559 5.816 -1.387 44 H CYS 7 HN CYS 7 0.940 8.390 -2.349 45 HA CYS 7 HA CYS 7 2.295 8.653 -4.746 46 HB2 CYS 7 HB2 CYS 7 -0.187 9.064 -4.288 47 HB3 CYS 7 HB1 CYS 7 0.255 10.699 -3.812 48 H THR 8 HN THR 8 1.547 11.694 -3.001 49 HA THR 8 HA THR 8 3.850 13.020 -4.124 50 HB THR 8 HB THR 8 1.974 14.370 -3.404 51 HG1 THR 8 HG1 THR 8 3.086 15.843 -2.230 52 HG21 THR 8 HG21 THR 8 2.233 14.044 -0.531 53 HG22 THR 8 HG22 THR 8 1.833 12.514 -1.311 54 HG23 THR 8 HG23 THR 8 0.794 13.920 -1.542 55 H SER 9 HN SER 9 5.941 13.117 -3.302 56 HA SER 9 HA SER 9 7.717 12.771 -1.774 57 HB2 SER 9 HB2 SER 9 5.744 11.775 0.274 58 HB3 SER 9 HB1 SER 9 7.274 12.610 0.532 59 HG SER 9 HG SER 9 5.285 13.886 0.796 60 H ILE 10 HN ILE 10 7.955 10.559 0.052 61 HA ILE 10 HA ILE 10 7.316 8.269 -1.760 62 HB ILE 10 HB ILE 10 9.890 8.559 -0.192 63 HG12 ILE 10 HG12 ILE 10 9.784 10.272 -1.955 64 HG13 ILE 10 HG11 ILE 10 10.919 9.003 -2.417 65 HG21 ILE 10 HG21 ILE 10 8.625 6.500 -1.914 66 HG22 ILE 10 HG22 ILE 10 9.787 6.310 -0.601 67 HG23 ILE 10 HG23 ILE 10 10.339 6.795 -2.205 68 HD11 ILE 10 HD11 ILE 10 8.426 8.120 -3.356 69 HD12 ILE 10 HD12 ILE 10 9.750 8.763 -4.328 70 HD13 ILE 10 HD13 ILE 10 8.479 9.839 -3.745 71 H CYS 11 HN CYS 11 6.345 6.588 -0.762 72 HA CYS 11 HA CYS 11 5.922 6.719 2.158 73 HB2 CYS 11 HB2 CYS 11 4.530 5.601 -0.129 74 HB3 CYS 11 HB1 CYS 11 4.743 4.382 1.125 75 H SER 12 HN SER 12 5.687 4.068 2.808 76 HA SER 12 HA SER 12 8.293 2.783 2.142 77 HB2 SER 12 HB2 SER 12 8.722 2.336 4.524 78 HB3 SER 12 HB1 SER 12 8.617 4.072 4.244 79 HG SER 12 HG SER 12 6.703 4.128 5.233 80 H LEU 13 HN LEU 13 7.947 0.634 1.741 81 HA LEU 13 HA LEU 13 5.545 -0.635 1.459 82 HB2 LEU 13 HB2 LEU 13 7.954 -1.534 1.065 83 HB3 LEU 13 HB1 LEU 13 7.821 -2.162 2.708 84 HG LEU 13 HG LEU 13 5.393 -2.808 1.393 85 HD11 LEU 13 HD11 LEU 13 6.943 -4.378 -0.285 86 HD12 LEU 13 HD12 LEU 13 7.716 -2.797 -0.394 87 HD13 LEU 13 HD13 LEU 13 6.004 -2.970 -0.780 88 HD21 LEU 13 HD21 LEU 13 7.629 -4.777 1.761 89 HD22 LEU 13 HD22 LEU 13 5.914 -4.954 2.135 90 HD23 LEU 13 HD23 LEU 13 6.948 -3.982 3.181 91 H TYR 14 HN TYR 14 7.246 -0.126 4.514 92 HA TYR 14 HA TYR 14 5.705 -1.852 6.157 93 HB2 TYR 14 HB2 TYR 14 7.737 -0.640 6.924 94 HB3 TYR 14 HB1 TYR 14 6.836 0.879 6.859 95 HD1 TYR 14 HD1 TYR 14 5.885 -2.603 8.146 96 HD2 TYR 14 HD2 TYR 14 6.269 1.587 9.118 97 HE1 TYR 14 HE1 TYR 14 4.967 -3.017 10.384 98 HE2 TYR 14 HE2 TYR 14 5.352 1.140 11.347 99 HH TYR 14 HH TYR 14 5.216 -0.886 12.911 100 H GLN 15 HN GLN 15 5.180 1.607 5.400 101 HA GLN 15 HA GLN 15 2.737 1.920 6.787 102 HB2 GLN 15 HB2 GLN 15 3.590 3.198 4.169 103 HB3 GLN 15 HB1 GLN 15 2.288 3.777 5.209 104 HG2 GLN 15 HG2 GLN 15 5.131 3.435 6.187 105 HG3 GLN 15 HG1 GLN 15 4.531 4.949 5.509 106 HE21 GLN 15 HE21 GLN 15 3.419 6.326 6.925 107 HE22 GLN 15 HE22 GLN 15 2.882 5.883 8.473 108 H LEU 16 HN LEU 16 3.318 0.823 3.440 109 HA LEU 16 HA LEU 16 0.605 0.528 2.677 110 HB2 LEU 16 HB2 LEU 16 3.121 -0.933 1.864 111 HB3 LEU 16 HB1 LEU 16 1.552 -1.336 1.165 112 HG LEU 16 HG LEU 16 1.374 1.257 0.774 113 HD11 LEU 16 HD11 LEU 16 4.288 0.778 1.337 114 HD12 LEU 16 HD12 LEU 16 3.267 2.128 1.834 115 HD13 LEU 16 HD13 LEU 16 3.816 2.006 0.162 116 HD21 LEU 16 HD21 LEU 16 3.399 -0.069 -0.995 117 HD22 LEU 16 HD22 LEU 16 1.970 0.867 -1.438 118 HD23 LEU 16 HD23 LEU 16 1.795 -0.791 -0.863 119 H GLU 17 HN GLU 17 2.796 -1.867 4.201 120 HA GLU 17 HA GLU 17 0.972 -4.000 4.377 121 HB2 GLU 17 HB2 GLU 17 3.402 -3.149 5.824 122 HB3 GLU 17 HB1 GLU 17 2.322 -4.183 6.753 123 HG2 GLU 17 HG2 GLU 17 4.047 -5.434 5.393 124 HG3 GLU 17 HG1 GLU 17 2.378 -5.896 5.057 125 H ASN 18 HN ASN 18 1.045 -0.956 6.032 126 HA ASN 18 HA ASN 18 -0.702 -1.750 8.222 127 HB2 ASN 18 HB2 ASN 18 0.922 0.332 7.979 128 HB3 ASN 18 HB1 ASN 18 -0.505 1.086 7.267 129 HD21 ASN 18 HD21 ASN 18 -2.285 1.591 8.666 130 HD22 ASN 18 HD22 ASN 18 -2.219 1.376 10.349 131 H TYR 19 HN TYR 19 -1.111 -0.541 4.943 132 HA TYR 19 HA TYR 19 -3.911 0.155 5.257 133 HB2 TYR 19 HB2 TYR 19 -2.606 -0.658 2.644 134 HB3 TYR 19 HB1 TYR 19 -3.962 0.476 2.902 135 HD1 TYR 19 HD2 TYR 19 -2.220 1.564 5.606 136 HD2 TYR 19 HD1 TYR 19 -1.464 1.416 1.351 137 HE1 TYR 19 HE2 TYR 19 -0.641 3.418 5.791 138 HE2 TYR 19 HE1 TYR 19 0.108 3.268 1.581 139 HH TYR 19 HH TYR 19 1.381 4.417 3.131 140 H CYS 20 HN CYS 20 -2.245 -2.795 5.104 141 HA CYS 20 HA CYS 20 -4.492 -4.283 3.893 142 HB2 CYS 20 HB2 CYS 20 -1.740 -5.020 4.881 143 HB3 CYS 20 HB1 CYS 20 -2.943 -6.268 4.558 144 H ASN 21 HN ASN 21 -5.445 -3.018 6.095 145 HA ASN 21 HA ASN 21 -5.844 -5.277 7.990 146 HB2 ASN 21 HB2 ASN 21 -4.167 -3.841 9.046 147 HB3 ASN 21 HB1 ASN 21 -5.184 -2.424 8.784 148 HD21 ASN 21 HD21 ASN 21 -4.908 -5.434 10.664 149 HD22 ASN 21 HD22 ASN 21 -6.066 -5.010 11.830 150 H1 PHE 22 HT1 PHE 22 14.133 -2.713 1.309 151 H2 PHE 22 HT2 PHE 22 15.111 -1.918 0.169 152 H3 PHE 22 HT3 PHE 22 15.187 -3.607 0.326 153 HA PHE 22 HA PHE 22 13.887 -2.703 -1.636 154 HB2 PHE 22 HB2 PHE 22 12.114 -4.438 -1.319 155 HB3 PHE 22 HB1 PHE 22 13.728 -5.038 -0.941 156 HD1 PHE 22 HD2 PHE 22 14.489 -4.801 1.564 157 HD2 PHE 22 HD1 PHE 22 10.398 -4.684 0.252 158 HE1 PHE 22 HE2 PHE 22 13.737 -5.371 3.858 159 HE2 PHE 22 HE1 PHE 22 9.647 -5.256 2.547 160 HZ PHE 22 HZ PHE 22 11.316 -5.600 4.349 161 H VAL 23 HN VAL 23 13.308 -0.426 -1.189 162 HA VAL 23 HA VAL 23 10.452 -0.201 -0.551 163 HB VAL 23 HB VAL 23 11.999 0.056 1.602 164 HG11 VAL 23 HG11 VAL 23 13.038 2.057 1.915 165 HG12 VAL 23 HG12 VAL 23 11.790 2.949 1.046 166 HG13 VAL 23 HG13 VAL 23 13.054 2.104 0.151 167 HG21 VAL 23 HG21 VAL 23 9.481 1.293 0.710 168 HG22 VAL 23 HG22 VAL 23 10.221 2.058 2.116 169 HG23 VAL 23 HG23 VAL 23 9.819 0.341 2.156 170 H ASN 24 HN ASN 24 10.476 2.606 -0.240 171 HA ASN 24 HA ASN 24 10.559 4.591 -1.495 172 HB2 ASN 24 HB2 ASN 24 12.681 3.186 -3.147 173 HB3 ASN 24 HB1 ASN 24 12.375 4.920 -3.070 174 HD21 ASN 24 HD21 ASN 24 14.941 3.857 -2.391 175 HD22 ASN 24 HD22 ASN 24 15.193 4.085 -0.728 176 H GLN 25 HN GLN 25 8.564 4.572 -2.498 177 HA GLN 25 HA GLN 25 8.498 3.652 -5.296 178 HB2 GLN 25 HB2 GLN 25 7.161 2.231 -3.088 179 HB3 GLN 25 HB1 GLN 25 6.096 2.634 -4.435 180 HG2 GLN 25 HG2 GLN 25 7.557 1.519 -6.009 181 HG3 GLN 25 HG1 GLN 25 8.779 1.265 -4.762 182 HE21 GLN 25 HE21 GLN 25 5.759 0.056 -6.072 183 HE22 GLN 25 HE22 GLN 25 5.619 -1.279 -5.035 184 H HIS 26 HN HIS 26 6.759 4.628 -6.479 185 HA HIS 26 HA HIS 26 5.340 6.820 -5.000 186 HB2 HIS 26 HB2 HIS 26 7.205 7.073 -7.067 187 HB3 HIS 26 HB1 HIS 26 5.648 7.194 -7.881 188 HD2 HIS 26 HD2 HIS 26 4.494 9.683 -7.686 189 HE1 HIS 26 HE1 HIS 26 6.886 11.121 -4.507 190 HE2 HIS 26 HE2 HIS 26 5.090 11.746 -6.213 191 H LEU 27 HN LEU 27 3.090 7.113 -5.687 192 HA LEU 27 HA LEU 27 2.100 5.320 -7.805 193 HB2 LEU 27 HB2 LEU 27 0.358 4.849 -5.593 194 HB3 LEU 27 HB1 LEU 27 1.331 3.683 -6.483 195 HG LEU 27 HG LEU 27 3.275 4.284 -5.015 196 HD11 LEU 27 HD11 LEU 27 1.831 6.512 -4.400 197 HD12 LEU 27 HD12 LEU 27 3.131 5.883 -3.387 198 HD13 LEU 27 HD13 LEU 27 1.453 5.488 -3.015 199 HD21 LEU 27 HD21 LEU 27 2.523 2.427 -3.985 200 HD22 LEU 27 HD22 LEU 27 0.848 2.856 -4.331 201 HD23 LEU 27 HD23 LEU 27 1.636 3.478 -2.881 202 H CYS 28 HN CYS 28 -0.605 5.405 -7.009 203 HA CYS 28 HA CYS 28 -2.027 7.510 -6.243 204 HB2 CYS 28 HB2 CYS 28 -0.304 8.531 -8.384 205 HB3 CYS 28 HB1 CYS 28 -2.010 8.770 -8.729 206 H GLY 29 HN GLY 29 -4.172 7.434 -7.019 207 HA2 GLY 29 HA2 GLY 29 -5.997 6.324 -7.991 208 HA3 GLY 29 HA1 GLY 29 -5.056 6.397 -9.481 209 H SER 30 HN SER 30 -5.198 4.360 -10.323 210 HA SER 30 HA SER 30 -5.507 1.951 -8.879 211 HB2 SER 30 HB2 SER 30 -4.287 1.002 -11.042 212 HB3 SER 30 HB1 SER 30 -5.916 1.665 -11.142 213 HG SER 30 HG SER 30 -5.156 3.203 -12.346 214 H ASP 31 HN ASP 31 -2.492 3.491 -10.067 215 HA ASP 31 HA ASP 31 -0.619 1.575 -9.325 216 HB2 ASP 31 HB2 ASP 31 -0.234 4.482 -8.592 217 HB3 ASP 31 HB1 ASP 31 0.983 3.319 -9.118 218 H LEU 32 HN LEU 32 -2.248 3.930 -7.223 219 HA LEU 32 HA LEU 32 -0.927 3.214 -4.803 220 HB2 LEU 32 HB2 LEU 32 -2.880 5.029 -5.518 221 HB3 LEU 32 HB1 LEU 32 -3.780 3.884 -4.522 222 HG LEU 32 HG LEU 32 -1.574 4.150 -2.993 223 HD11 LEU 32 HD11 LEU 32 -1.915 6.994 -3.795 224 HD12 LEU 32 HD12 LEU 32 -0.978 5.979 -4.891 225 HD13 LEU 32 HD13 LEU 32 -0.479 6.157 -3.208 226 HD21 LEU 32 HD21 LEU 32 -4.011 5.951 -3.099 227 HD22 LEU 32 HD22 LEU 32 -2.883 5.924 -1.744 228 HD23 LEU 32 HD23 LEU 32 -3.813 4.480 -2.146 229 H VAL 33 HN VAL 33 -4.318 2.332 -5.548 230 HA VAL 33 HA VAL 33 -4.575 0.239 -3.743 231 HB VAL 33 HB VAL 33 -6.160 -0.807 -5.432 232 HG11 VAL 33 HG11 VAL 33 -7.348 0.644 -4.122 233 HG12 VAL 33 HG12 VAL 33 -7.442 1.557 -5.628 234 HG13 VAL 33 HG13 VAL 33 -6.235 1.980 -4.414 235 HG21 VAL 33 HG21 VAL 33 -6.594 0.756 -7.428 236 HG22 VAL 33 HG22 VAL 33 -5.154 -0.256 -7.518 237 HG23 VAL 33 HG23 VAL 33 -5.009 1.448 -7.084 238 H GLU 34 HN GLU 34 -3.356 -0.044 -7.099 239 HA GLU 34 HA GLU 34 -2.738 -2.798 -7.025 240 HB2 GLU 34 HB2 GLU 34 -1.908 -0.458 -8.622 241 HB3 GLU 34 HB1 GLU 34 -0.731 -1.767 -8.572 242 HG2 GLU 34 HG2 GLU 34 -2.238 -2.140 -10.447 243 HG3 GLU 34 HG1 GLU 34 -2.546 -3.364 -9.214 244 H ALA 35 HN ALA 35 -0.763 0.018 -6.065 245 HA ALA 35 HA ALA 35 1.607 -1.366 -5.409 246 HB1 ALA 35 HB1 ALA 35 1.375 1.115 -5.411 247 HB2 ALA 35 HB2 ALA 35 2.111 0.513 -3.925 248 HB3 ALA 35 HB3 ALA 35 0.416 1.002 -3.934 249 H LEU 36 HN LEU 36 -1.015 -0.436 -3.126 250 HA LEU 36 HA LEU 36 -0.061 -1.955 -0.929 251 HB2 LEU 36 HB2 LEU 36 -2.973 -1.493 -1.656 252 HB3 LEU 36 HB1 LEU 36 -2.337 -1.858 -0.055 253 HG LEU 36 HG LEU 36 -2.478 0.420 0.160 254 HD11 LEU 36 HD11 LEU 36 0.077 0.347 -1.463 255 HD12 LEU 36 HD12 LEU 36 -0.032 -0.207 0.208 256 HD13 LEU 36 HD13 LEU 36 -0.346 1.484 -0.182 257 HD21 LEU 36 HD21 LEU 36 -3.211 1.644 -1.570 258 HD22 LEU 36 HD22 LEU 36 -2.908 0.271 -2.635 259 HD23 LEU 36 HD23 LEU 36 -1.653 1.484 -2.379 260 H TYR 37 HN TYR 37 -1.616 -2.884 -3.862 261 HA TYR 37 HA TYR 37 -2.411 -5.537 -2.934 262 HB2 TYR 37 HB2 TYR 37 -3.706 -4.526 -4.709 263 HB3 TYR 37 HB1 TYR 37 -2.256 -4.266 -5.686 264 HD1 TYR 37 HD1 TYR 37 -4.290 -7.076 -4.095 265 HD2 TYR 37 HD2 TYR 37 -1.471 -6.041 -7.199 266 HE1 TYR 37 HE1 TYR 37 -4.489 -9.325 -5.052 267 HE2 TYR 37 HE2 TYR 37 -1.698 -8.298 -8.134 268 HH TYR 37 HH TYR 37 -3.047 -10.852 -6.478 269 H LEU 38 HN LEU 38 0.499 -4.078 -4.031 270 HA LEU 38 HA LEU 38 1.654 -6.582 -5.055 271 HB2 LEU 38 HB2 LEU 38 3.372 -4.252 -4.299 272 HB3 LEU 38 HB1 LEU 38 3.504 -5.336 -5.682 273 HG LEU 38 HG LEU 38 1.464 -3.144 -5.300 274 HD11 LEU 38 HD11 LEU 38 3.299 -3.347 -7.643 275 HD12 LEU 38 HD12 LEU 38 3.994 -2.822 -6.110 276 HD13 LEU 38 HD13 LEU 38 2.671 -1.910 -6.836 277 HD21 LEU 38 HD21 LEU 38 0.340 -4.926 -6.415 278 HD22 LEU 38 HD22 LEU 38 1.755 -5.287 -7.404 279 HD23 LEU 38 HD23 LEU 38 0.840 -3.806 -7.682 280 H VAL 39 HN VAL 39 2.314 -4.393 -2.311 281 HA VAL 39 HA VAL 39 4.157 -6.029 -0.945 282 HB VAL 39 HB VAL 39 3.744 -4.666 0.950 283 HG11 VAL 39 HG11 VAL 39 4.011 -2.579 0.031 284 HG12 VAL 39 HG12 VAL 39 2.623 -2.759 -1.042 285 HG13 VAL 39 HG13 VAL 39 4.159 -3.525 -1.450 286 HG21 VAL 39 HG21 VAL 39 0.981 -4.122 -0.189 287 HG22 VAL 39 HG22 VAL 39 1.616 -3.493 1.331 288 HG23 VAL 39 HG23 VAL 39 1.326 -5.222 1.146 289 H CYS 40 HN CYS 40 0.607 -6.040 -0.855 290 HA CYS 40 HA CYS 40 0.683 -8.440 0.903 291 HB2 CYS 40 HB2 CYS 40 -1.556 -6.593 0.035 292 HB3 CYS 40 HB1 CYS 40 -1.833 -8.076 0.948 293 H GLY 41 HN GLY 41 1.231 -8.162 -2.158 294 HA2 GLY 41 HA2 GLY 41 -0.907 -9.876 -3.250 295 HA3 GLY 41 HA1 GLY 41 0.450 -9.212 -4.160 296 H GLU 42 HN GLU 42 2.019 -10.321 -1.598 297 HA GLU 42 HA GLU 42 2.877 -12.745 -2.955 298 HB2 GLU 42 HB2 GLU 42 4.448 -12.989 -1.123 299 HB3 GLU 42 HB1 GLU 42 4.402 -11.288 -1.588 300 HG2 GLU 42 HG2 GLU 42 2.599 -11.021 0.233 301 HG3 GLU 42 HG1 GLU 42 3.124 -12.603 0.810 302 H ARG 43 HN ARG 43 0.638 -11.960 -0.425 303 HA ARG 43 HA ARG 43 0.329 -14.830 0.285 304 HB2 ARG 43 HB2 ARG 43 -0.934 -14.064 2.187 305 HB3 ARG 43 HB1 ARG 43 0.497 -13.037 2.072 306 HG2 ARG 43 HG2 ARG 43 -0.916 -11.408 0.729 307 HG3 ARG 43 HG1 ARG 43 -2.319 -12.374 1.187 308 HD2 ARG 43 HD2 ARG 43 -0.802 -11.900 3.551 309 HD3 ARG 43 HD1 ARG 43 -0.982 -10.357 2.717 310 HE ARG 43 HE ARG 43 -3.471 -11.878 2.898 311 HH11 ARG 43 HH21 ARG 43 -3.512 -8.946 2.854 312 HH12 ARG 43 HH22 ARG 43 -3.773 -8.526 4.514 313 HH21 ARG 43 HH11 ARG 43 -2.866 -11.649 5.719 314 HH22 ARG 43 HH12 ARG 43 -3.405 -10.057 6.137 315 H GLY 44 HN GLY 44 -2.288 -15.066 0.886 316 HA2 GLY 44 HA2 GLY 44 -3.596 -15.507 -1.547 317 HA3 GLY 44 HA1 GLY 44 -4.448 -15.267 -0.021 318 H GLY 45 HN GLY 45 -4.562 -14.185 -3.020 319 HA2 GLY 45 HA2 GLY 45 -4.339 -11.346 -2.868 320 HA3 GLY 45 HA1 GLY 45 -5.348 -12.216 -4.023 321 H PHE 46 HN PHE 46 -5.653 -9.836 -1.946 322 HA PHE 46 HA PHE 46 -8.492 -10.332 -1.505 323 HB2 PHE 46 HB2 PHE 46 -7.135 -11.500 0.403 324 HB3 PHE 46 HB1 PHE 46 -6.856 -9.836 0.993 325 HD1 PHE 46 HD2 PHE 46 -9.837 -9.100 -0.481 326 HD2 PHE 46 HD1 PHE 46 -8.559 -11.757 2.685 327 HE1 PHE 46 HE2 PHE 46 -12.077 -9.065 0.494 328 HE2 PHE 46 HE1 PHE 46 -10.812 -11.690 3.626 329 HZ PHE 46 HZ PHE 46 -12.579 -10.350 2.541 330 H TYR 47 HN TYR 47 -6.142 -8.320 0.285 331 HA TYR 47 HA TYR 47 -6.275 -5.992 0.702 332 HB2 TYR 47 HB2 TYR 47 -4.859 -6.254 -1.316 333 HB3 TYR 47 HB1 TYR 47 -6.324 -6.126 -2.337 334 HD1 TYR 47 HD1 TYR 47 -4.815 -4.155 0.633 335 HD2 TYR 47 HD2 TYR 47 -6.767 -3.865 -3.217 336 HE1 TYR 47 HE1 TYR 47 -4.722 -1.717 0.740 337 HE2 TYR 47 HE2 TYR 47 -6.648 -1.429 -3.069 338 HH TYR 47 HH TYR 47 -6.520 0.291 -1.121 339 H THR 48 HN THR 48 -8.715 -6.605 1.337 340 HA THR 48 HA THR 48 -10.347 -4.475 0.197 341 HB THR 48 HB THR 48 -11.507 -7.245 0.007 342 HG1 THR 48 HG1 THR 48 -10.968 -7.009 -2.273 343 HG21 THR 48 HG21 THR 48 -12.141 -4.524 -1.139 344 HG22 THR 48 HG22 THR 48 -13.150 -5.529 -0.097 345 HG23 THR 48 HG23 THR 48 -12.864 -6.003 -1.772 346 H LYS 49 HN LYS 49 -10.632 -7.496 2.035 347 HA LYS 49 HA LYS 49 -11.606 -5.934 4.358 348 HB2 LYS 49 HB2 LYS 49 -13.254 -7.696 2.683 349 HB3 LYS 49 HB1 LYS 49 -13.302 -8.115 4.396 350 HG2 LYS 49 HG2 LYS 49 -14.080 -5.961 5.015 351 HG3 LYS 49 HG1 LYS 49 -13.646 -5.268 3.452 352 HD2 LYS 49 HD2 LYS 49 -15.347 -7.226 2.649 353 HD3 LYS 49 HD1 LYS 49 -16.041 -6.832 4.222 354 HE2 LYS 49 HE2 LYS 49 -15.295 -4.437 2.736 355 HE3 LYS 49 HE1 LYS 49 -16.457 -5.426 1.852 356 HZ1 LYS 49 HZ1 LYS 49 -16.942 -5.022 4.700 357 HZ2 LYS 49 HZ2 LYS 49 -18.046 -5.131 3.413 358 HZ3 LYS 49 HZ3 LYS 49 -17.192 -3.688 3.683 359 HA PRO 50 HA PRO 50 -8.797 -9.520 5.288 360 HB2 PRO 50 HB2 PRO 50 -6.716 -8.013 6.268 361 HB3 PRO 50 HB1 PRO 50 -6.861 -8.505 4.571 362 HG2 PRO 50 HG2 PRO 50 -7.347 -5.830 5.799 363 HG3 PRO 50 HG1 PRO 50 -6.860 -6.234 4.144 364 HD2 PRO 50 HD2 PRO 50 -9.467 -5.519 4.964 365 HD3 PRO 50 HD1 PRO 50 -9.030 -6.263 3.412 366 H THR 51 HN THR 51 -7.436 -9.541 7.610 367 HA THR 51 HA THR 51 -8.954 -8.135 9.712 368 HB THR 51 HB THR 51 -9.475 -10.290 10.884 369 HG1 THR 51 HG1 THR 51 -9.015 -12.145 9.949 370 HG21 THR 51 HG21 THR 51 -11.442 -10.771 9.594 371 HG22 THR 51 HG22 THR 51 -10.687 -10.181 8.114 372 HG23 THR 51 HG23 THR 51 -11.113 -9.050 9.397 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -8.265 7.978 8.169 2 H2 GLY 1 HT2 GLY 1 -8.257 8.931 6.762 3 H3 GLY 1 HT3 GLY 1 -6.873 8.852 7.745 4 HA2 GLY 1 HA1 GLY 1 -7.037 6.344 7.140 5 HA3 GLY 1 HA2 GLY 1 -7.961 6.928 5.722 6 H ILE 2 HN ILE 2 -6.060 5.973 4.619 7 HA ILE 2 HA ILE 2 -3.325 6.334 5.748 8 HB ILE 2 HB ILE 2 -4.470 4.501 3.632 9 HG12 ILE 2 HG12 ILE 2 -2.854 3.903 6.126 10 HG13 ILE 2 HG11 ILE 2 -4.618 3.926 6.099 11 HG21 ILE 2 HG21 ILE 2 -2.137 3.667 3.348 12 HG22 ILE 2 HG22 ILE 2 -1.567 5.003 4.349 13 HG23 ILE 2 HG23 ILE 2 -2.331 5.330 2.793 14 HD11 ILE 2 HD11 ILE 2 -4.236 1.682 5.661 15 HD12 ILE 2 HD12 ILE 2 -2.725 1.999 4.808 16 HD13 ILE 2 HD13 ILE 2 -4.268 2.318 4.016 17 H VAL 3 HN VAL 3 -5.455 7.478 3.324 18 HA VAL 3 HA VAL 3 -3.632 8.242 1.280 19 HB VAL 3 HB VAL 3 -5.378 9.654 0.463 20 HG11 VAL 3 HG11 VAL 3 -6.713 7.885 0.074 21 HG12 VAL 3 HG12 VAL 3 -7.338 7.959 1.721 22 HG13 VAL 3 HG13 VAL 3 -5.889 7.017 1.369 23 HG21 VAL 3 HG21 VAL 3 -5.928 11.081 2.249 24 HG22 VAL 3 HG22 VAL 3 -6.190 9.740 3.364 25 HG23 VAL 3 HG23 VAL 3 -7.374 10.083 2.103 26 H GLU 4 HN GLU 4 -3.894 9.412 4.472 27 HA GLU 4 HA GLU 4 -2.753 12.060 3.732 28 HB2 GLU 4 HB2 GLU 4 -3.390 11.279 6.556 29 HB3 GLU 4 HB1 GLU 4 -3.508 12.859 5.780 30 HG2 GLU 4 HG2 GLU 4 -5.413 11.999 4.412 31 HG3 GLU 4 HG1 GLU 4 -5.337 10.486 5.314 32 H GLN 5 HN GLN 5 -1.664 9.007 4.580 33 HA GLN 5 HA GLN 5 0.704 10.102 6.026 34 HB2 GLN 5 HB2 GLN 5 -0.711 7.489 5.999 35 HB3 GLN 5 HB1 GLN 5 1.044 7.425 6.165 36 HG2 GLN 5 HG2 GLN 5 -0.874 8.989 7.917 37 HG3 GLN 5 HG1 GLN 5 0.040 7.555 8.383 38 HE21 GLN 5 HE21 GLN 5 2.350 7.794 8.756 39 HE22 GLN 5 HE22 GLN 5 3.074 9.323 8.904 40 H CYS 6 HN CYS 6 -0.182 8.020 3.273 41 HA CYS 6 HA CYS 6 2.656 8.159 2.368 42 HB2 CYS 6 HB2 CYS 6 0.385 6.268 1.803 43 HB3 CYS 6 HB1 CYS 6 1.783 6.348 0.730 44 H CYS 7 HN CYS 7 -0.612 8.241 0.862 45 HA CYS 7 HA CYS 7 -0.074 9.065 -1.674 46 HB2 CYS 7 HB2 CYS 7 -2.253 9.628 0.204 47 HB3 CYS 7 HB1 CYS 7 -2.101 10.820 -1.086 48 H THR 8 HN THR 8 0.552 11.062 1.164 49 HA THR 8 HA THR 8 0.834 13.551 -0.279 50 HB THR 8 HB THR 8 0.564 13.602 2.134 51 HG1 THR 8 HG1 THR 8 2.001 15.142 2.417 52 HG21 THR 8 HG21 THR 8 2.154 11.355 2.125 53 HG22 THR 8 HG22 THR 8 1.693 12.260 3.567 54 HG23 THR 8 HG23 THR 8 3.241 12.578 2.782 55 H SER 9 HN SER 9 2.792 10.750 0.035 56 HA SER 9 HA SER 9 4.786 11.853 -1.803 57 HB2 SER 9 HB2 SER 9 5.550 12.540 0.531 58 HB3 SER 9 HB1 SER 9 5.722 10.825 0.891 59 HG SER 9 HG SER 9 6.878 11.895 -1.435 60 H ILE 10 HN ILE 10 6.679 9.837 -1.697 61 HA ILE 10 HA ILE 10 4.973 7.461 -2.196 62 HB ILE 10 HB ILE 10 6.248 8.098 -4.151 63 HG12 ILE 10 HG12 ILE 10 7.277 6.022 -4.641 64 HG13 ILE 10 HG11 ILE 10 7.763 5.773 -2.965 65 HG21 ILE 10 HG21 ILE 10 8.891 7.522 -3.128 66 HG22 ILE 10 HG22 ILE 10 8.151 8.858 -2.249 67 HG23 ILE 10 HG23 ILE 10 8.319 8.942 -4.002 68 HD11 ILE 10 HD11 ILE 10 5.869 4.325 -3.515 69 HD12 ILE 10 HD12 ILE 10 4.926 5.725 -4.020 70 HD13 ILE 10 HD13 ILE 10 5.383 5.536 -2.329 71 H CYS 11 HN CYS 11 4.805 6.555 -0.182 72 HA CYS 11 HA CYS 11 6.879 6.237 1.718 73 HB2 CYS 11 HB2 CYS 11 4.454 4.532 1.082 74 HB3 CYS 11 HB1 CYS 11 5.512 4.209 2.455 75 H SER 12 HN SER 12 7.923 4.004 2.210 76 HA SER 12 HA SER 12 9.147 3.061 -0.304 77 HB2 SER 12 HB2 SER 12 10.847 2.158 1.028 78 HB3 SER 12 HB1 SER 12 10.336 3.540 1.992 79 HG SER 12 HG SER 12 10.350 1.801 3.349 80 H LEU 13 HN LEU 13 8.928 0.929 -1.093 81 HA LEU 13 HA LEU 13 6.501 -0.426 -0.776 82 HB2 LEU 13 HB2 LEU 13 7.899 -1.033 -2.620 83 HB3 LEU 13 HB1 LEU 13 9.239 -1.455 -1.556 84 HG LEU 13 HG LEU 13 6.689 -2.917 -1.102 85 HD11 LEU 13 HD11 LEU 13 8.495 -3.789 -3.352 86 HD12 LEU 13 HD12 LEU 13 7.136 -2.710 -3.663 87 HD13 LEU 13 HD13 LEU 13 6.851 -4.315 -2.990 88 HD21 LEU 13 HD21 LEU 13 8.873 -4.651 -1.342 89 HD22 LEU 13 HD22 LEU 13 8.211 -4.015 0.164 90 HD23 LEU 13 HD23 LEU 13 9.554 -3.190 -0.627 91 H TYR 14 HN TYR 14 9.283 -0.462 1.321 92 HA TYR 14 HA TYR 14 8.623 -2.919 2.702 93 HB2 TYR 14 HB2 TYR 14 10.455 -0.602 3.156 94 HB3 TYR 14 HB1 TYR 14 10.014 -1.564 4.571 95 HD1 TYR 14 HD1 TYR 14 11.105 -2.158 0.943 96 HD2 TYR 14 HD2 TYR 14 11.351 -3.548 5.025 97 HE1 TYR 14 HE1 TYR 14 12.675 -3.919 0.271 98 HE2 TYR 14 HE2 TYR 14 12.916 -5.300 4.319 99 HH TYR 14 HH TYR 14 14.547 -5.284 1.479 100 H GLN 15 HN GLN 15 7.822 0.503 3.194 101 HA GLN 15 HA GLN 15 6.488 0.131 5.713 102 HB2 GLN 15 HB2 GLN 15 6.193 2.259 3.577 103 HB3 GLN 15 HB1 GLN 15 5.388 2.328 5.145 104 HG2 GLN 15 HG2 GLN 15 8.109 1.713 5.656 105 HG3 GLN 15 HG1 GLN 15 8.097 3.042 4.495 106 HE21 GLN 15 HE21 GLN 15 8.774 4.606 6.136 107 HE22 GLN 15 HE22 GLN 15 7.706 5.123 7.351 108 H LEU 16 HN LEU 16 5.221 0.312 2.354 109 HA LEU 16 HA LEU 16 2.482 -0.064 3.006 110 HB2 LEU 16 HB2 LEU 16 4.148 -0.794 0.596 111 HB3 LEU 16 HB1 LEU 16 2.445 -1.245 0.681 112 HG LEU 16 HG LEU 16 2.060 1.258 1.308 113 HD11 LEU 16 HD11 LEU 16 3.780 2.722 0.157 114 HD12 LEU 16 HD12 LEU 16 4.820 1.301 0.062 115 HD13 LEU 16 HD13 LEU 16 4.346 1.943 1.634 116 HD21 LEU 16 HD21 LEU 16 2.871 1.317 -1.486 117 HD22 LEU 16 HD22 LEU 16 1.247 1.359 -0.799 118 HD23 LEU 16 HD23 LEU 16 2.039 -0.189 -1.097 119 H GLU 17 HN GLU 17 5.141 -2.367 2.752 120 HA GLU 17 HA GLU 17 3.553 -4.747 2.869 121 HB2 GLU 17 HB2 GLU 17 6.388 -4.004 3.267 122 HB3 GLU 17 HB1 GLU 17 5.866 -5.424 4.172 123 HG2 GLU 17 HG2 GLU 17 4.752 -6.087 1.862 124 HG3 GLU 17 HG1 GLU 17 5.978 -5.000 1.208 125 H ASN 18 HN ASN 18 4.295 -2.290 5.152 126 HA ASN 18 HA ASN 18 3.884 -3.899 7.544 127 HB2 ASN 18 HB2 ASN 18 5.183 -1.729 7.478 128 HB3 ASN 18 HB1 ASN 18 3.648 -0.890 7.259 129 HD21 ASN 18 HD21 ASN 18 5.682 -1.109 9.639 130 HD22 ASN 18 HD22 ASN 18 4.680 -1.448 10.967 131 H TYR 19 HN TYR 19 1.862 -2.059 5.326 132 HA TYR 19 HA TYR 19 -0.446 -1.924 7.066 133 HB2 TYR 19 HB2 TYR 19 -0.548 -2.029 4.036 134 HB3 TYR 19 HB1 TYR 19 -1.680 -1.213 5.156 135 HD1 TYR 19 HD2 TYR 19 1.112 -0.375 6.916 136 HD2 TYR 19 HD1 TYR 19 -0.353 0.436 2.930 137 HE1 TYR 19 HE2 TYR 19 2.462 1.657 6.803 138 HE2 TYR 19 HE1 TYR 19 1.015 2.458 2.857 139 HH TYR 19 HH TYR 19 3.447 3.095 4.406 140 H CYS 20 HN CYS 20 1.079 -4.554 5.661 141 HA CYS 20 HA CYS 20 -1.351 -6.086 5.056 142 HB2 CYS 20 HB2 CYS 20 1.437 -7.207 5.362 143 HB3 CYS 20 HB1 CYS 20 0.108 -7.837 4.389 144 H ASN 21 HN ASN 21 -1.636 -5.222 7.609 145 HA ASN 21 HA ASN 21 -1.101 -7.691 9.210 146 HB2 ASN 21 HB2 ASN 21 0.216 -5.520 9.820 147 HB3 ASN 21 HB1 ASN 21 -1.325 -4.972 10.481 148 HD21 ASN 21 HD21 ASN 21 0.763 -7.926 10.587 149 HD22 ASN 21 HD22 ASN 21 0.470 -8.245 12.228 150 H1 PHE 22 HT1 PHE 22 11.700 -0.397 -8.063 151 H2 PHE 22 HT2 PHE 22 12.854 -1.567 -7.635 152 H3 PHE 22 HT3 PHE 22 13.127 0.071 -7.275 153 HA PHE 22 HA PHE 22 11.296 -1.823 -5.980 154 HB2 PHE 22 HB2 PHE 22 13.670 -0.267 -5.308 155 HB3 PHE 22 HB1 PHE 22 12.364 -0.053 -4.142 156 HD1 PHE 22 HD1 PHE 22 14.291 -2.677 -5.981 157 HD2 PHE 22 HD2 PHE 22 11.901 -1.719 -2.540 158 HE1 PHE 22 HE1 PHE 22 14.781 -4.909 -5.020 159 HE2 PHE 22 HE2 PHE 22 12.390 -3.950 -1.578 160 HZ PHE 22 HZ PHE 22 13.831 -5.549 -2.817 161 H VAL 23 HN VAL 23 11.845 1.618 -6.484 162 HA VAL 23 HA VAL 23 8.971 2.120 -6.354 163 HB VAL 23 HB VAL 23 9.956 1.935 -3.951 164 HG11 VAL 23 HG11 VAL 23 11.211 3.676 -3.117 165 HG12 VAL 23 HG12 VAL 23 10.623 4.820 -4.326 166 HG13 VAL 23 HG13 VAL 23 11.823 3.605 -4.769 167 HG21 VAL 23 HG21 VAL 23 7.828 3.345 -5.082 168 HG22 VAL 23 HG22 VAL 23 8.595 4.496 -3.992 169 HG23 VAL 23 HG23 VAL 23 8.030 2.944 -3.377 170 H ASN 24 HN ASN 24 9.197 4.862 -5.758 171 HA ASN 24 HA ASN 24 10.308 6.895 -6.512 172 HB2 ASN 24 HB2 ASN 24 11.055 5.232 -8.944 173 HB3 ASN 24 HB1 ASN 24 11.407 6.943 -8.732 174 HD21 ASN 24 HD21 ASN 24 12.464 7.279 -6.307 175 HD22 ASN 24 HD22 ASN 24 13.780 6.248 -6.012 176 H GLN 25 HN GLN 25 7.701 5.737 -6.605 177 HA GLN 25 HA GLN 25 6.434 7.581 -8.479 178 HB2 GLN 25 HB2 GLN 25 6.806 5.645 -9.976 179 HB3 GLN 25 HB1 GLN 25 6.034 4.583 -8.800 180 HG2 GLN 25 HG2 GLN 25 4.512 5.317 -10.670 181 HG3 GLN 25 HG1 GLN 25 3.919 5.725 -9.058 182 HE21 GLN 25 HE21 GLN 25 5.339 7.088 -12.014 183 HE22 GLN 25 HE22 GLN 25 5.014 8.710 -11.630 184 H HIS 26 HN HIS 26 4.000 7.600 -7.929 185 HA HIS 26 HA HIS 26 3.667 6.287 -5.282 186 HB2 HIS 26 HB2 HIS 26 4.012 8.867 -5.310 187 HB3 HIS 26 HB1 HIS 26 2.298 8.887 -5.762 188 HD2 HIS 26 HD2 HIS 26 1.077 9.309 -3.285 189 HE1 HIS 26 HE1 HIS 26 3.043 6.145 -1.285 190 HE2 HIS 26 HE2 HIS 26 1.157 7.846 -1.132 191 H LEU 27 HN LEU 27 1.579 6.054 -4.481 192 HA LEU 27 HA LEU 27 -0.351 5.117 -6.510 193 HB2 LEU 27 HB2 LEU 27 -1.021 3.586 -4.908 194 HB3 LEU 27 HB1 LEU 27 0.643 3.839 -4.409 195 HG LEU 27 HG LEU 27 -1.891 4.812 -3.112 196 HD11 LEU 27 HD11 LEU 27 0.485 4.128 -1.529 197 HD12 LEU 27 HD12 LEU 27 -0.109 2.820 -2.547 198 HD13 LEU 27 HD13 LEU 27 -1.178 3.569 -1.364 199 HD21 LEU 27 HD21 LEU 27 -1.052 6.758 -2.363 200 HD22 LEU 27 HD22 LEU 27 0.264 6.583 -3.507 201 HD23 LEU 27 HD23 LEU 27 0.446 5.979 -1.871 202 H CYS 28 HN CYS 28 -2.574 5.149 -4.731 203 HA CYS 28 HA CYS 28 -3.615 7.062 -3.322 204 HB2 CYS 28 HB2 CYS 28 -2.849 8.407 -5.887 205 HB3 CYS 28 HB1 CYS 28 -4.338 8.905 -5.095 206 H GLY 29 HN GLY 29 -5.870 7.060 -3.316 207 HA2 GLY 29 HA2 GLY 29 -7.971 6.153 -3.843 208 HA3 GLY 29 HA1 GLY 29 -7.554 6.493 -5.526 209 H SER 30 HN SER 30 -7.963 4.595 -6.624 210 HA SER 30 HA SER 30 -7.858 1.985 -5.558 211 HB2 SER 30 HB2 SER 30 -7.571 3.115 -8.326 212 HB3 SER 30 HB1 SER 30 -7.198 1.414 -8.067 213 HG SER 30 HG SER 30 -9.383 1.649 -8.556 214 H ASP 31 HN ASP 31 -5.302 3.873 -7.185 215 HA ASP 31 HA ASP 31 -3.227 1.998 -7.156 216 HB2 ASP 31 HB2 ASP 31 -3.074 4.968 -6.575 217 HB3 ASP 31 HB1 ASP 31 -1.686 3.943 -6.938 218 H LEU 32 HN LEU 32 -4.609 3.802 -4.471 219 HA LEU 32 HA LEU 32 -2.518 3.173 -2.593 220 HB2 LEU 32 HB2 LEU 32 -4.664 4.833 -2.491 221 HB3 LEU 32 HB1 LEU 32 -5.288 3.468 -1.565 222 HG LEU 32 HG LEU 32 -2.836 3.664 -0.447 223 HD11 LEU 32 HD11 LEU 32 -3.373 6.543 -0.479 224 HD12 LEU 32 HD12 LEU 32 -2.892 5.921 -2.054 225 HD13 LEU 32 HD13 LEU 32 -1.843 5.686 -0.658 226 HD21 LEU 32 HD21 LEU 32 -3.947 5.032 1.339 227 HD22 LEU 32 HD22 LEU 32 -4.932 3.672 0.802 228 HD23 LEU 32 HD23 LEU 32 -5.298 5.302 0.238 229 H VAL 33 HN VAL 33 -5.841 1.839 -2.640 230 HA VAL 33 HA VAL 33 -5.212 -0.411 -1.042 231 HB VAL 33 HB VAL 33 -7.220 -1.455 -1.978 232 HG11 VAL 33 HG11 VAL 33 -7.927 0.165 -0.480 233 HG12 VAL 33 HG12 VAL 33 -8.728 0.719 -1.951 234 HG13 VAL 33 HG13 VAL 33 -7.231 1.484 -1.419 235 HG21 VAL 33 HG21 VAL 33 -7.082 0.734 -4.077 236 HG22 VAL 33 HG22 VAL 33 -8.346 -0.489 -3.938 237 HG23 VAL 33 HG23 VAL 33 -6.700 -0.965 -4.359 238 H GLU 34 HN GLU 34 -4.871 0.130 -4.515 239 HA GLU 34 HA GLU 34 -4.174 -2.549 -5.221 240 HB2 GLU 34 HB2 GLU 34 -4.016 0.123 -6.466 241 HB3 GLU 34 HB1 GLU 34 -2.795 -1.017 -7.019 242 HG2 GLU 34 HG2 GLU 34 -4.334 -2.029 -8.306 243 HG3 GLU 34 HG1 GLU 34 -5.263 -2.428 -6.862 244 H ALA 35 HN ALA 35 -2.084 0.296 -4.525 245 HA ALA 35 HA ALA 35 0.405 -0.933 -4.784 246 HB1 ALA 35 HB1 ALA 35 -0.039 0.786 -2.374 247 HB2 ALA 35 HB2 ALA 35 -0.297 1.496 -3.968 248 HB3 ALA 35 HB3 ALA 35 1.278 0.822 -3.546 249 H LEU 36 HN LEU 36 -1.375 -0.707 -1.664 250 HA LEU 36 HA LEU 36 0.276 -2.537 -0.271 251 HB2 LEU 36 HB2 LEU 36 -2.722 -2.245 0.101 252 HB3 LEU 36 HB1 LEU 36 -1.561 -2.805 1.300 253 HG LEU 36 HG LEU 36 -1.586 -0.652 2.017 254 HD11 LEU 36 HD11 LEU 36 0.595 -0.933 0.613 255 HD12 LEU 36 HD12 LEU 36 0.132 0.679 1.158 256 HD13 LEU 36 HD13 LEU 36 -0.185 0.186 -0.505 257 HD21 LEU 36 HD21 LEU 36 -2.139 1.014 -0.205 258 HD22 LEU 36 HD22 LEU 36 -3.212 0.602 1.132 259 HD23 LEU 36 HD23 LEU 36 -3.207 -0.384 -0.331 260 H TYR 37 HN TYR 37 -2.061 -3.023 -2.743 261 HA TYR 37 HA TYR 37 -2.412 -5.884 -2.180 262 HB2 TYR 37 HB2 TYR 37 -4.298 -4.668 -3.117 263 HB3 TYR 37 HB1 TYR 37 -3.318 -4.126 -4.483 264 HD1 TYR 37 HD1 TYR 37 -4.715 -7.263 -2.859 265 HD2 TYR 37 HD2 TYR 37 -2.956 -5.615 -6.443 266 HE1 TYR 37 HE1 TYR 37 -5.208 -9.335 -4.076 267 HE2 TYR 37 HE2 TYR 37 -3.469 -7.702 -7.632 268 HH TYR 37 HH TYR 37 -3.822 -10.185 -6.915 269 H LEU 38 HN LEU 38 -0.094 -3.957 -3.738 270 HA LEU 38 HA LEU 38 0.709 -6.133 -5.595 271 HB2 LEU 38 HB2 LEU 38 2.471 -3.776 -5.389 272 HB3 LEU 38 HB1 LEU 38 1.826 -4.572 -6.822 273 HG LEU 38 HG LEU 38 0.254 -2.733 -5.016 274 HD11 LEU 38 HD11 LEU 38 1.710 -1.285 -6.121 275 HD12 LEU 38 HD12 LEU 38 0.346 -1.342 -7.238 276 HD13 LEU 38 HD13 LEU 38 1.787 -2.307 -7.556 277 HD21 LEU 38 HD21 LEU 38 -1.253 -4.254 -6.062 278 HD22 LEU 38 HD22 LEU 38 -0.371 -4.180 -7.588 279 HD23 LEU 38 HD23 LEU 38 -1.307 -2.789 -7.041 280 H VAL 39 HN VAL 39 2.192 -4.096 -3.068 281 HA VAL 39 HA VAL 39 4.566 -5.633 -2.779 282 HB VAL 39 HB VAL 39 4.945 -4.388 -0.805 283 HG11 VAL 39 HG11 VAL 39 4.570 -2.201 -1.499 284 HG12 VAL 39 HG12 VAL 39 2.934 -2.551 -2.059 285 HG13 VAL 39 HG13 VAL 39 4.324 -3.077 -3.010 286 HG21 VAL 39 HG21 VAL 39 2.009 -4.694 -0.488 287 HG22 VAL 39 HG22 VAL 39 2.693 -3.186 0.121 288 HG23 VAL 39 HG23 VAL 39 3.282 -4.732 0.732 289 H CYS 40 HN CYS 40 1.312 -6.127 -1.635 290 HA CYS 40 HA CYS 40 2.242 -8.613 -0.263 291 HB2 CYS 40 HB2 CYS 40 0.269 -6.524 0.579 292 HB3 CYS 40 HB1 CYS 40 -0.029 -8.197 1.047 293 H GLY 41 HN GLY 41 1.438 -8.308 -3.050 294 HA2 GLY 41 HA2 GLY 41 -1.296 -9.108 -3.427 295 HA3 GLY 41 HA1 GLY 41 -0.004 -9.302 -4.614 296 H GLU 42 HN GLU 42 1.590 -10.861 -2.541 297 HA GLU 42 HA GLU 42 0.248 -13.458 -3.077 298 HB2 GLU 42 HB2 GLU 42 2.587 -13.268 -3.786 299 HB3 GLU 42 HB1 GLU 42 3.064 -12.822 -2.147 300 HG2 GLU 42 HG2 GLU 42 2.507 -14.979 -1.291 301 HG3 GLU 42 HG1 GLU 42 1.646 -15.420 -2.766 302 H ARG 43 HN ARG 43 0.973 -11.272 -0.515 303 HA ARG 43 HA ARG 43 0.051 -13.328 1.455 304 HB2 ARG 43 HB2 ARG 43 2.388 -12.743 1.881 305 HB3 ARG 43 HB1 ARG 43 1.981 -11.026 1.878 306 HG2 ARG 43 HG2 ARG 43 0.201 -11.984 3.719 307 HG3 ARG 43 HG1 ARG 43 1.580 -13.050 3.990 308 HD2 ARG 43 HD2 ARG 43 2.686 -10.485 3.684 309 HD3 ARG 43 HD1 ARG 43 1.267 -10.257 4.706 310 HE ARG 43 HE ARG 43 2.238 -11.928 6.265 311 HH11 ARG 43 HH21 ARG 43 4.201 -9.631 4.994 312 HH12 ARG 43 HH22 ARG 43 5.696 -10.476 5.224 313 HH21 ARG 43 HH11 ARG 43 4.177 -13.490 6.016 314 HH22 ARG 43 HH12 ARG 43 5.682 -12.661 5.799 315 H GLY 44 HN GLY 44 -1.965 -12.833 2.150 316 HA2 GLY 44 HA2 GLY 44 -3.222 -10.297 1.673 317 HA3 GLY 44 HA1 GLY 44 -3.857 -11.565 2.724 318 H GLY 45 HN GLY 45 -4.246 -9.072 3.649 319 HA2 GLY 45 HA2 GLY 45 -2.698 -9.050 6.109 320 HA3 GLY 45 HA1 GLY 45 -2.298 -7.691 5.059 321 H PHE 46 HN PHE 46 -3.392 -5.901 5.687 322 HA PHE 46 HA PHE 46 -5.926 -6.134 7.147 323 HB2 PHE 46 HB2 PHE 46 -4.245 -4.439 7.790 324 HB3 PHE 46 HB1 PHE 46 -4.388 -3.693 6.171 325 HD1 PHE 46 HD2 PHE 46 -6.643 -2.546 5.492 326 HD2 PHE 46 HD1 PHE 46 -6.112 -4.082 9.502 327 HE1 PHE 46 HE2 PHE 46 -8.589 -1.284 6.259 328 HE2 PHE 46 HE1 PHE 46 -8.068 -2.808 10.222 329 HZ PHE 46 HZ PHE 46 -9.313 -1.407 8.616 330 H TYR 47 HN TYR 47 -4.932 -4.409 4.160 331 HA TYR 47 HA TYR 47 -7.407 -3.619 3.211 332 HB2 TYR 47 HB2 TYR 47 -5.306 -3.129 2.038 333 HB3 TYR 47 HB1 TYR 47 -5.142 -4.855 1.599 334 HD1 TYR 47 HD1 TYR 47 -8.427 -2.887 1.633 335 HD2 TYR 47 HD2 TYR 47 -5.433 -4.702 -0.911 336 HE1 TYR 47 HE1 TYR 47 -9.849 -2.556 -0.328 337 HE2 TYR 47 HE2 TYR 47 -6.887 -4.348 -2.842 338 HH TYR 47 HH TYR 47 -10.170 -3.105 -2.486 339 H THR 48 HN THR 48 -6.061 -6.444 1.625 340 HA THR 48 HA THR 48 -6.921 -8.584 1.216 341 HB THR 48 HB THR 48 -9.013 -7.709 3.219 342 HG1 THR 48 HG1 THR 48 -6.795 -8.393 3.777 343 HG21 THR 48 HG21 THR 48 -8.884 -10.120 1.441 344 HG22 THR 48 HG22 THR 48 -10.274 -9.111 1.841 345 HG23 THR 48 HG23 THR 48 -9.620 -10.227 3.040 346 H LYS 49 HN LYS 49 -8.568 -5.669 0.624 347 HA LYS 49 HA LYS 49 -10.055 -5.039 -1.083 348 HB2 LYS 49 HB2 LYS 49 -8.271 -6.198 -2.437 349 HB3 LYS 49 HB1 LYS 49 -9.234 -7.672 -2.336 350 HG2 LYS 49 HG2 LYS 49 -11.171 -6.304 -3.292 351 HG3 LYS 49 HG1 LYS 49 -9.978 -5.059 -3.659 352 HD2 LYS 49 HD2 LYS 49 -9.011 -6.282 -5.332 353 HD3 LYS 49 HD1 LYS 49 -9.288 -7.818 -4.509 354 HE2 LYS 49 HE2 LYS 49 -10.804 -7.975 -6.273 355 HE3 LYS 49 HE1 LYS 49 -11.822 -7.291 -5.006 356 HZ1 LYS 49 HZ1 LYS 49 -10.654 -5.980 -7.362 357 HZ2 LYS 49 HZ2 LYS 49 -10.968 -5.057 -5.971 358 HZ3 LYS 49 HZ3 LYS 49 -12.232 -5.884 -6.749 359 HA PRO 50 HA PRO 50 -13.393 -7.614 0.575 360 HB2 PRO 50 HB2 PRO 50 -15.148 -5.514 0.825 361 HB3 PRO 50 HB1 PRO 50 -13.953 -5.949 2.059 362 HG2 PRO 50 HG2 PRO 50 -13.905 -3.686 0.110 363 HG3 PRO 50 HG1 PRO 50 -13.173 -3.797 1.720 364 HD2 PRO 50 HD2 PRO 50 -11.793 -4.094 -0.716 365 HD3 PRO 50 HD1 PRO 50 -11.193 -4.599 0.878 366 H THR 51 HN THR 51 -15.769 -7.758 -0.255 367 HA THR 51 HA THR 51 -15.687 -7.571 -3.208 368 HB THR 51 HB THR 51 -18.027 -8.774 -2.777 369 HG1 THR 51 HG1 THR 51 -17.534 -10.118 -0.815 370 HG21 THR 51 HG21 THR 51 -16.152 -9.810 -3.926 371 HG22 THR 51 HG22 THR 51 -16.781 -10.939 -2.726 372 HG23 THR 51 HG23 THR 51 -15.300 -10.039 -2.399 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -9.076 10.199 2.828 2 H2 GLY 1 HT2 GLY 1 -8.547 10.869 1.359 3 H3 GLY 1 HT3 GLY 1 -7.441 10.603 2.620 4 HA2 GLY 1 HA1 GLY 1 -8.271 8.148 2.247 5 HA3 GLY 1 HA2 GLY 1 -8.575 8.748 0.587 6 H ILE 2 HN ILE 2 -7.217 6.520 0.984 7 HA ILE 2 HA ILE 2 -4.720 6.633 2.479 8 HB ILE 2 HB ILE 2 -6.157 4.635 0.797 9 HG12 ILE 2 HG12 ILE 2 -4.870 4.837 3.502 10 HG13 ILE 2 HG11 ILE 2 -6.500 4.319 3.080 11 HG21 ILE 2 HG21 ILE 2 -3.951 4.640 -0.285 12 HG22 ILE 2 HG22 ILE 2 -4.153 3.174 0.674 13 HG23 ILE 2 HG23 ILE 2 -3.164 4.500 1.287 14 HD11 ILE 2 HD11 ILE 2 -5.400 2.282 1.967 15 HD12 ILE 2 HD12 ILE 2 -5.361 2.328 3.729 16 HD13 ILE 2 HD13 ILE 2 -3.923 2.759 2.805 17 H VAL 3 HN VAL 3 -5.707 7.162 -0.855 18 HA VAL 3 HA VAL 3 -3.075 7.105 -2.005 19 HB VAL 3 HB VAL 3 -4.050 8.138 -3.934 20 HG11 VAL 3 HG11 VAL 3 -5.807 6.240 -2.425 21 HG12 VAL 3 HG12 VAL 3 -4.922 5.993 -3.928 22 HG13 VAL 3 HG13 VAL 3 -6.408 6.942 -3.925 23 HG21 VAL 3 HG21 VAL 3 -5.151 10.058 -3.196 24 HG22 VAL 3 HG22 VAL 3 -6.010 9.198 -1.919 25 HG23 VAL 3 HG23 VAL 3 -6.514 9.015 -3.599 26 H GLU 4 HN GLU 4 -4.942 9.573 -0.388 27 HA GLU 4 HA GLU 4 -3.091 11.725 -1.057 28 HB2 GLU 4 HB2 GLU 4 -5.041 11.815 1.233 29 HB3 GLU 4 HB1 GLU 4 -4.539 13.116 0.152 30 HG2 GLU 4 HG2 GLU 4 -5.632 11.151 -1.535 31 HG3 GLU 4 HG1 GLU 4 -6.729 11.235 -0.156 32 H GLN 5 HN GLN 5 -2.610 9.103 0.798 33 HA GLN 5 HA GLN 5 -1.183 10.584 2.957 34 HB2 GLN 5 HB2 GLN 5 -2.753 8.808 3.689 35 HB3 GLN 5 HB1 GLN 5 -1.844 7.629 2.744 36 HG2 GLN 5 HG2 GLN 5 -0.823 7.336 4.798 37 HG3 GLN 5 HG1 GLN 5 0.198 8.618 4.145 38 HE21 GLN 5 HE21 GLN 5 -3.115 8.740 5.569 39 HE22 GLN 5 HE22 GLN 5 -2.721 9.887 6.756 40 H CYS 6 HN CYS 6 -0.740 8.033 0.509 41 HA CYS 6 HA CYS 6 2.205 8.307 0.881 42 HB2 CYS 6 HB2 CYS 6 0.541 6.137 -0.422 43 HB3 CYS 6 HB1 CYS 6 2.305 6.167 -0.433 44 H CYS 7 HN CYS 7 -0.394 8.882 -1.382 45 HA CYS 7 HA CYS 7 1.358 9.112 -3.707 46 HB2 CYS 7 HB2 CYS 7 -1.191 8.659 -3.713 47 HB3 CYS 7 HB1 CYS 7 -1.363 10.398 -3.467 48 H THR 8 HN THR 8 0.229 11.245 -1.163 49 HA THR 8 HA THR 8 1.246 13.639 -2.563 50 HB THR 8 HB THR 8 -0.755 13.857 -1.128 51 HG1 THR 8 HG1 THR 8 0.685 15.616 -1.275 52 HG21 THR 8 HG21 THR 8 -0.454 13.618 1.347 53 HG22 THR 8 HG22 THR 8 1.143 12.932 1.044 54 HG23 THR 8 HG23 THR 8 -0.300 12.092 0.476 55 H SER 9 HN SER 9 2.140 11.381 -0.048 56 HA SER 9 HA SER 9 4.880 12.553 -0.029 57 HB2 SER 9 HB2 SER 9 4.285 13.304 2.075 58 HB3 SER 9 HB1 SER 9 3.044 12.071 2.278 59 HG SER 9 HG SER 9 5.860 11.783 2.473 60 H ILE 10 HN ILE 10 6.527 10.929 0.199 61 HA ILE 10 HA ILE 10 5.657 8.267 -0.634 62 HB ILE 10 HB ILE 10 8.314 9.610 -0.200 63 HG12 ILE 10 HG12 ILE 10 8.369 8.280 -2.583 64 HG13 ILE 10 HG11 ILE 10 6.642 8.596 -2.423 65 HG21 ILE 10 HG21 ILE 10 7.900 6.639 -0.665 66 HG22 ILE 10 HG22 ILE 10 8.534 7.359 0.815 67 HG23 ILE 10 HG23 ILE 10 9.451 7.479 -0.687 68 HD11 ILE 10 HD11 ILE 10 7.126 10.995 -2.040 69 HD12 ILE 10 HD12 ILE 10 7.745 10.449 -3.599 70 HD13 ILE 10 HD13 ILE 10 8.848 10.669 -2.240 71 H CYS 11 HN CYS 11 5.124 6.667 0.735 72 HA CYS 11 HA CYS 11 5.703 6.955 3.619 73 HB2 CYS 11 HB2 CYS 11 4.139 4.805 2.165 74 HB3 CYS 11 HB1 CYS 11 4.151 5.099 3.903 75 H SER 12 HN SER 12 5.894 4.353 4.442 76 HA SER 12 HA SER 12 8.362 3.356 3.071 77 HB2 SER 12 HB2 SER 12 9.326 2.822 5.186 78 HB3 SER 12 HB1 SER 12 8.678 4.449 5.372 79 HG SER 12 HG SER 12 7.759 3.504 7.043 80 H LEU 13 HN LEU 13 8.583 1.046 3.003 81 HA LEU 13 HA LEU 13 6.342 -0.486 2.458 82 HB2 LEU 13 HB2 LEU 13 8.922 -1.069 2.382 83 HB3 LEU 13 HB1 LEU 13 8.588 -1.803 3.950 84 HG LEU 13 HG LEU 13 6.710 -2.411 1.707 85 HD11 LEU 13 HD11 LEU 13 8.227 -3.459 0.414 86 HD12 LEU 13 HD12 LEU 13 8.844 -4.355 1.803 87 HD13 LEU 13 HD13 LEU 13 9.501 -2.765 1.417 88 HD21 LEU 13 HD21 LEU 13 7.310 -4.729 3.025 89 HD22 LEU 13 HD22 LEU 13 6.019 -3.630 3.508 90 HD23 LEU 13 HD23 LEU 13 7.594 -3.539 4.295 91 H TYR 14 HN TYR 14 7.602 0.399 5.603 92 HA TYR 14 HA TYR 14 6.149 -1.516 7.164 93 HB2 TYR 14 HB2 TYR 14 7.433 1.142 7.682 94 HB3 TYR 14 HB1 TYR 14 6.295 0.525 8.886 95 HD1 TYR 14 HD2 TYR 14 6.659 -2.057 9.637 96 HD2 TYR 14 HD1 TYR 14 9.736 0.295 7.728 97 HE1 TYR 14 HE2 TYR 14 8.378 -3.601 10.463 98 HE2 TYR 14 HE1 TYR 14 11.431 -1.265 8.573 99 HH TYR 14 HH TYR 14 10.920 -4.208 9.509 100 H GLN 15 HN GLN 15 5.381 1.911 6.427 101 HA GLN 15 HA GLN 15 2.789 1.909 7.568 102 HB2 GLN 15 HB2 GLN 15 4.132 3.503 5.411 103 HB3 GLN 15 HB1 GLN 15 2.389 3.669 5.625 104 HG2 GLN 15 HG2 GLN 15 2.641 4.866 7.522 105 HG3 GLN 15 HG1 GLN 15 3.811 3.718 8.172 106 HE21 GLN 15 HE21 GLN 15 3.482 6.637 6.171 107 HE22 GLN 15 HE22 GLN 15 5.127 7.053 6.203 108 H LEU 16 HN LEU 16 3.860 0.992 4.297 109 HA LEU 16 HA LEU 16 1.254 0.505 3.228 110 HB2 LEU 16 HB2 LEU 16 3.968 -0.673 2.572 111 HB3 LEU 16 HB1 LEU 16 2.511 -1.064 1.658 112 HG LEU 16 HG LEU 16 2.211 1.502 1.438 113 HD11 LEU 16 HD11 LEU 16 5.071 1.253 2.381 114 HD12 LEU 16 HD12 LEU 16 3.811 2.325 2.992 115 HD13 LEU 16 HD13 LEU 16 4.529 2.621 1.409 116 HD21 LEU 16 HD21 LEU 16 2.875 1.057 -0.668 117 HD22 LEU 16 HD22 LEU 16 3.602 -0.443 -0.089 118 HD23 LEU 16 HD23 LEU 16 4.563 1.034 -0.157 119 H GLU 17 HN GLU 17 3.457 -1.500 5.142 120 HA GLU 17 HA GLU 17 2.105 -3.973 4.895 121 HB2 GLU 17 HB2 GLU 17 3.972 -2.729 6.814 122 HB3 GLU 17 HB1 GLU 17 2.945 -3.985 7.502 123 HG2 GLU 17 HG2 GLU 17 3.620 -5.509 5.651 124 HG3 GLU 17 HG1 GLU 17 4.712 -4.259 5.054 125 H ASN 18 HN ASN 18 1.354 -1.083 6.741 126 HA ASN 18 HA ASN 18 -0.662 -2.295 8.420 127 HB2 ASN 18 HB2 ASN 18 0.539 0.216 8.242 128 HB3 ASN 18 HB1 ASN 18 -1.134 0.517 7.771 129 HD21 ASN 18 HD21 ASN 18 0.948 -0.447 10.446 130 HD22 ASN 18 HD22 ASN 18 -0.268 -0.462 11.630 131 H TYR 19 HN TYR 19 -0.617 -0.946 5.170 132 HA TYR 19 HA TYR 19 -3.387 -0.581 4.727 133 HB2 TYR 19 HB2 TYR 19 -1.155 -1.549 2.914 134 HB3 TYR 19 HB1 TYR 19 -2.816 -1.292 2.314 135 HD1 TYR 19 HD1 TYR 19 -1.065 0.844 4.983 136 HD2 TYR 19 HD2 TYR 19 -2.465 0.749 0.891 137 HE1 TYR 19 HE1 TYR 19 -0.626 3.232 4.747 138 HE2 TYR 19 HE2 TYR 19 -2.007 3.137 0.700 139 HH TYR 19 HH TYR 19 -1.817 5.159 2.910 140 H CYS 20 HN CYS 20 -1.400 -3.522 4.549 141 HA CYS 20 HA CYS 20 -3.676 -5.206 3.816 142 HB2 CYS 20 HB2 CYS 20 -0.773 -5.547 4.216 143 HB3 CYS 20 HB1 CYS 20 -1.750 -6.942 4.675 144 H ASN 21 HN ASN 21 -4.450 -3.866 6.054 145 HA ASN 21 HA ASN 21 -3.785 -5.001 8.566 146 HB2 ASN 21 HB2 ASN 21 -5.456 -3.006 7.762 147 HB3 ASN 21 HB1 ASN 21 -6.626 -4.259 8.180 148 HD21 ASN 21 HD21 ASN 21 -6.088 -5.380 10.413 149 HD22 ASN 21 HD22 ASN 21 -5.594 -4.339 11.660 150 H1 PHE 22 HT1 PHE 22 7.819 0.134 -2.158 151 H2 PHE 22 HT2 PHE 22 6.894 0.593 -0.808 152 H3 PHE 22 HT3 PHE 22 7.155 -1.052 -1.144 153 HA PHE 22 HA PHE 22 8.647 -0.660 0.553 154 HB2 PHE 22 HB2 PHE 22 10.148 -0.087 -2.018 155 HB3 PHE 22 HB1 PHE 22 10.864 -0.681 -0.520 156 HD1 PHE 22 HD1 PHE 22 8.298 -1.493 -3.115 157 HD2 PHE 22 HD2 PHE 22 10.906 -2.999 -0.047 158 HE1 PHE 22 HE1 PHE 22 7.750 -3.818 -3.789 159 HE2 PHE 22 HE2 PHE 22 10.358 -5.323 -0.723 160 HZ PHE 22 HZ PHE 22 8.779 -5.732 -2.593 161 H VAL 23 HN VAL 23 10.539 1.553 -1.321 162 HA VAL 23 HA VAL 23 9.504 3.915 0.104 163 HB VAL 23 HB VAL 23 12.327 4.018 0.473 164 HG11 VAL 23 HG11 VAL 23 10.167 4.898 1.765 165 HG12 VAL 23 HG12 VAL 23 11.715 4.697 2.585 166 HG13 VAL 23 HG13 VAL 23 10.468 3.459 2.740 167 HG21 VAL 23 HG21 VAL 23 12.333 1.555 0.379 168 HG22 VAL 23 HG22 VAL 23 11.057 1.498 1.595 169 HG23 VAL 23 HG23 VAL 23 12.655 2.113 2.020 170 H ASN 24 HN ASN 24 11.396 5.742 -0.433 171 HA ASN 24 HA ASN 24 11.940 7.164 -2.245 172 HB2 ASN 24 HB2 ASN 24 13.540 4.712 -2.275 173 HB3 ASN 24 HB1 ASN 24 13.463 5.493 -3.855 174 HD21 ASN 24 HD21 ASN 24 13.615 6.784 -0.481 175 HD22 ASN 24 HD22 ASN 24 14.931 7.813 -0.783 176 H GLN 25 HN GLN 25 9.381 6.277 -2.705 177 HA GLN 25 HA GLN 25 9.303 6.244 -5.631 178 HB2 GLN 25 HB2 GLN 25 9.009 3.785 -4.106 179 HB3 GLN 25 HB1 GLN 25 7.556 4.142 -5.040 180 HG2 GLN 25 HG2 GLN 25 8.616 3.881 -7.049 181 HG3 GLN 25 HG1 GLN 25 10.134 4.549 -6.450 182 HE21 GLN 25 HE21 GLN 25 11.269 2.671 -7.428 183 HE22 GLN 25 HE22 GLN 25 11.236 1.162 -6.651 184 H HIS 26 HN HIS 26 7.127 6.673 -6.431 185 HA HIS 26 HA HIS 26 5.262 7.603 -4.276 186 HB2 HIS 26 HB2 HIS 26 6.528 9.165 -6.224 187 HB3 HIS 26 HB1 HIS 26 4.913 8.887 -6.879 188 HD2 HIS 26 HD2 HIS 26 4.377 11.672 -6.188 189 HE1 HIS 26 HE1 HIS 26 4.257 10.890 -2.032 190 HE2 HIS 26 HE2 HIS 26 3.775 12.625 -3.842 191 H LEU 27 HN LEU 27 2.881 7.685 -5.296 192 HA LEU 27 HA LEU 27 2.476 5.811 -7.500 193 HB2 LEU 27 HB2 LEU 27 0.993 4.440 -5.609 194 HB3 LEU 27 HB1 LEU 27 2.565 3.954 -6.214 195 HG LEU 27 HG LEU 27 3.660 5.157 -4.377 196 HD11 LEU 27 HD11 LEU 27 2.544 6.868 -3.424 197 HD12 LEU 27 HD12 LEU 27 1.532 5.676 -2.609 198 HD13 LEU 27 HD13 LEU 27 1.028 6.349 -4.159 199 HD21 LEU 27 HD21 LEU 27 2.076 3.819 -2.527 200 HD22 LEU 27 HD22 LEU 27 3.412 3.113 -3.435 201 HD23 LEU 27 HD23 LEU 27 1.761 2.956 -4.033 202 H CYS 28 HN CYS 28 -0.225 5.102 -6.236 203 HA CYS 28 HA CYS 28 -2.034 6.898 -5.531 204 HB2 CYS 28 HB2 CYS 28 -0.912 7.949 -8.014 205 HB3 CYS 28 HB1 CYS 28 -2.638 7.667 -8.148 206 H GLY 29 HN GLY 29 -3.967 5.899 -5.598 207 HA2 GLY 29 HA2 GLY 29 -5.375 4.028 -5.964 208 HA3 GLY 29 HA1 GLY 29 -5.368 4.691 -7.597 209 H SER 30 HN SER 30 -4.771 3.269 -9.134 210 HA SER 30 HA SER 30 -4.032 0.631 -8.794 211 HB2 SER 30 HB2 SER 30 -4.333 2.228 -10.972 212 HB3 SER 30 HB1 SER 30 -2.588 1.991 -10.997 213 HG SER 30 HG SER 30 -4.300 -0.196 -10.570 214 H ASP 31 HN ASP 31 -1.636 3.208 -9.502 215 HA ASP 31 HA ASP 31 0.694 1.762 -9.070 216 HB2 ASP 31 HB2 ASP 31 0.309 4.547 -7.947 217 HB3 ASP 31 HB1 ASP 31 1.793 3.828 -8.574 218 H LEU 32 HN LEU 32 -1.665 2.803 -6.704 219 HA LEU 32 HA LEU 32 0.067 2.219 -4.416 220 HB2 LEU 32 HB2 LEU 32 -2.294 3.656 -4.774 221 HB3 LEU 32 HB1 LEU 32 -2.807 2.229 -3.873 222 HG LEU 32 HG LEU 32 -0.554 2.827 -2.506 223 HD11 LEU 32 HD11 LEU 32 -0.119 4.824 -3.915 224 HD12 LEU 32 HD12 LEU 32 -0.411 5.268 -2.233 225 HD13 LEU 32 HD13 LEU 32 -1.681 5.488 -3.436 226 HD21 LEU 32 HD21 LEU 32 -2.437 2.595 -1.187 227 HD22 LEU 32 HD22 LEU 32 -3.422 3.625 -2.226 228 HD23 LEU 32 HD23 LEU 32 -2.263 4.348 -1.111 229 H VAL 33 HN VAL 33 -3.133 0.809 -5.203 230 HA VAL 33 HA VAL 33 -2.897 -1.541 -3.751 231 HB VAL 33 HB VAL 33 -4.471 -2.563 -5.307 232 HG11 VAL 33 HG11 VAL 33 -5.188 -0.617 -3.845 233 HG12 VAL 33 HG12 VAL 33 -6.197 -0.892 -5.265 234 HG13 VAL 33 HG13 VAL 33 -5.013 0.415 -5.264 235 HG21 VAL 33 HG21 VAL 33 -4.866 -0.742 -7.352 236 HG22 VAL 33 HG22 VAL 33 -3.977 -2.259 -7.503 237 HG23 VAL 33 HG23 VAL 33 -3.111 -0.756 -7.184 238 H GLU 34 HN GLU 34 -1.294 -0.694 -6.752 239 HA GLU 34 HA GLU 34 -0.363 -3.357 -7.378 240 HB2 GLU 34 HB2 GLU 34 0.132 -0.598 -8.324 241 HB3 GLU 34 HB1 GLU 34 1.506 -1.691 -8.485 242 HG2 GLU 34 HG2 GLU 34 -1.102 -2.824 -9.300 243 HG3 GLU 34 HG1 GLU 34 -0.504 -1.512 -10.315 244 H ALA 35 HN ALA 35 1.392 -0.512 -6.060 245 HA ALA 35 HA ALA 35 3.669 -2.018 -5.230 246 HB1 ALA 35 HB1 ALA 35 4.431 0.014 -4.588 247 HB2 ALA 35 HB2 ALA 35 3.088 0.230 -3.464 248 HB3 ALA 35 HB3 ALA 35 2.900 0.675 -5.161 249 H LEU 36 HN LEU 36 0.685 -1.080 -3.545 250 HA LEU 36 HA LEU 36 1.282 -2.193 -1.004 251 HB2 LEU 36 HB2 LEU 36 -1.204 -1.541 -2.529 252 HB3 LEU 36 HB1 LEU 36 -1.359 -2.551 -1.092 253 HG LEU 36 HG LEU 36 -1.570 -0.045 -0.707 254 HD11 LEU 36 HD11 LEU 36 -1.061 -1.673 1.081 255 HD12 LEU 36 HD12 LEU 36 -0.236 -0.138 1.356 256 HD13 LEU 36 HD13 LEU 36 0.658 -1.520 0.723 257 HD21 LEU 36 HD21 LEU 36 1.428 -0.155 -1.133 258 HD22 LEU 36 HD22 LEU 36 0.483 1.258 -0.666 259 HD23 LEU 36 HD23 LEU 36 0.290 0.559 -2.274 260 H TYR 37 HN TYR 37 0.271 -3.633 -4.012 261 HA TYR 37 HA TYR 37 -0.420 -6.218 -2.848 262 HB2 TYR 37 HB2 TYR 37 -1.508 -5.567 -4.899 263 HB3 TYR 37 HB1 TYR 37 0.045 -5.275 -5.690 264 HD1 TYR 37 HD1 TYR 37 -1.123 -8.206 -3.515 265 HD2 TYR 37 HD2 TYR 37 0.344 -6.996 -7.393 266 HE1 TYR 37 HE1 TYR 37 -1.002 -10.552 -4.226 267 HE2 TYR 37 HE2 TYR 37 0.450 -9.349 -8.072 268 HH TYR 37 HH TYR 37 -0.466 -11.964 -5.834 269 H LEU 38 HN LEU 38 2.485 -4.641 -3.565 270 HA LEU 38 HA LEU 38 3.938 -7.173 -4.072 271 HB2 LEU 38 HB2 LEU 38 5.500 -4.683 -3.743 272 HB3 LEU 38 HB1 LEU 38 5.618 -5.930 -4.982 273 HG LEU 38 HG LEU 38 3.473 -3.801 -4.833 274 HD11 LEU 38 HD11 LEU 38 4.652 -3.176 -7.067 275 HD12 LEU 38 HD12 LEU 38 6.008 -4.106 -6.429 276 HD13 LEU 38 HD13 LEU 38 5.419 -2.693 -5.555 277 HD21 LEU 38 HD21 LEU 38 2.431 -5.576 -5.925 278 HD22 LEU 38 HD22 LEU 38 3.946 -6.173 -6.604 279 HD23 LEU 38 HD23 LEU 38 3.186 -4.730 -7.276 280 H VAL 39 HN VAL 39 3.626 -4.620 -1.648 281 HA VAL 39 HA VAL 39 5.700 -5.677 0.073 282 HB VAL 39 HB VAL 39 4.979 -4.048 1.656 283 HG11 VAL 39 HG11 VAL 39 4.113 -2.732 -0.903 284 HG12 VAL 39 HG12 VAL 39 5.774 -3.302 -0.736 285 HG13 VAL 39 HG13 VAL 39 5.138 -2.096 0.383 286 HG21 VAL 39 HG21 VAL 39 2.680 -4.390 1.956 287 HG22 VAL 39 HG22 VAL 39 2.347 -4.330 0.225 288 HG23 VAL 39 HG23 VAL 39 2.708 -2.845 1.105 289 H CYS 40 HN CYS 40 2.274 -6.311 -0.359 290 HA CYS 40 HA CYS 40 2.052 -7.796 2.147 291 HB2 CYS 40 HB2 CYS 40 0.195 -7.649 -0.244 292 HB3 CYS 40 HB1 CYS 40 -0.185 -8.441 1.281 293 H GLY 41 HN GLY 41 2.552 -8.542 -1.255 294 HA2 GLY 41 HA2 GLY 41 3.570 -10.459 -2.185 295 HA3 GLY 41 HA1 GLY 41 3.778 -11.087 -0.551 296 H GLU 42 HN GLU 42 1.790 -11.116 -3.374 297 HA GLU 42 HA GLU 42 -0.251 -12.226 -3.846 298 HB2 GLU 42 HB2 GLU 42 0.036 -14.704 -2.859 299 HB3 GLU 42 HB1 GLU 42 0.960 -14.133 -4.248 300 HG2 GLU 42 HG2 GLU 42 2.765 -13.403 -2.635 301 HG3 GLU 42 HG1 GLU 42 1.868 -14.227 -1.359 302 H ARG 43 HN ARG 43 -0.494 -10.646 -1.456 303 HA ARG 43 HA ARG 43 -1.978 -12.379 0.431 304 HB2 ARG 43 HB2 ARG 43 -0.340 -10.391 1.001 305 HB3 ARG 43 HB1 ARG 43 -1.762 -9.400 0.685 306 HG2 ARG 43 HG2 ARG 43 -2.477 -9.859 2.773 307 HG3 ARG 43 HG1 ARG 43 -2.648 -11.549 2.296 308 HD2 ARG 43 HD2 ARG 43 -0.682 -12.173 3.291 309 HD3 ARG 43 HD1 ARG 43 0.108 -10.639 2.926 310 HE ARG 43 HE ARG 43 -0.470 -9.993 5.105 311 HH11 ARG 43 HH21 ARG 43 -1.974 -12.930 4.644 312 HH12 ARG 43 HH22 ARG 43 -3.316 -12.621 5.695 313 HH21 ARG 43 HH11 ARG 43 -2.549 -9.268 6.123 314 HH22 ARG 43 HH12 ARG 43 -3.640 -10.548 6.533 315 H GLY 44 HN GLY 44 -4.019 -10.787 1.269 316 HA2 GLY 44 HA2 GLY 44 -6.119 -11.196 -0.479 317 HA3 GLY 44 HA1 GLY 44 -6.110 -9.863 0.677 318 H GLY 45 HN GLY 45 -6.212 -10.609 -2.602 319 HA2 GLY 45 HA2 GLY 45 -4.826 -8.229 -3.583 320 HA3 GLY 45 HA1 GLY 45 -5.803 -9.332 -4.554 321 H PHE 46 HN PHE 46 -7.777 -8.723 -2.066 322 HA PHE 46 HA PHE 46 -9.364 -6.820 -3.595 323 HB2 PHE 46 HB2 PHE 46 -9.905 -8.775 -1.716 324 HB3 PHE 46 HB1 PHE 46 -10.150 -7.263 -0.791 325 HD1 PHE 46 HD1 PHE 46 -11.050 -8.751 -4.243 326 HD2 PHE 46 HD2 PHE 46 -12.309 -6.081 -1.080 327 HE1 PHE 46 HE1 PHE 46 -13.173 -8.355 -5.386 328 HE2 PHE 46 HE2 PHE 46 -14.420 -5.720 -2.255 329 HZ PHE 46 HZ PHE 46 -14.863 -6.846 -4.407 330 H TYR 47 HN TYR 47 -10.452 -5.119 -1.729 331 HA TYR 47 HA TYR 47 -8.193 -3.735 -0.393 332 HB2 TYR 47 HB2 TYR 47 -8.772 -2.945 -2.888 333 HB3 TYR 47 HB1 TYR 47 -10.059 -2.048 -2.028 334 HD1 TYR 47 HD2 TYR 47 -8.079 -2.007 0.676 335 HD2 TYR 47 HD1 TYR 47 -7.639 -0.582 -3.385 336 HE1 TYR 47 HE2 TYR 47 -6.443 -0.345 1.404 337 HE2 TYR 47 HE1 TYR 47 -6.011 1.065 -2.612 338 HH TYR 47 HH TYR 47 -4.325 1.055 -0.317 339 H THR 48 HN THR 48 -10.303 -5.153 0.800 340 HA THR 48 HA THR 48 -11.611 -2.959 2.279 341 HB THR 48 HB THR 48 -13.167 -5.213 0.986 342 HG1 THR 48 HG1 THR 48 -13.637 -2.481 0.611 343 HG21 THR 48 HG21 THR 48 -15.046 -3.559 1.938 344 HG22 THR 48 HG22 THR 48 -13.785 -3.235 3.127 345 HG23 THR 48 HG23 THR 48 -14.387 -4.878 2.907 346 H LYS 49 HN LYS 49 -10.985 -6.408 1.950 347 HA LYS 49 HA LYS 49 -10.325 -6.628 4.754 348 HB2 LYS 49 HB2 LYS 49 -12.123 -7.954 5.551 349 HB3 LYS 49 HB1 LYS 49 -12.890 -6.617 4.698 350 HG2 LYS 49 HG2 LYS 49 -12.440 -9.420 3.629 351 HG3 LYS 49 HG1 LYS 49 -13.983 -8.694 4.061 352 HD2 LYS 49 HD2 LYS 49 -13.593 -6.941 2.311 353 HD3 LYS 49 HD1 LYS 49 -12.151 -7.821 1.811 354 HE2 LYS 49 HE2 LYS 49 -13.522 -8.975 0.433 355 HE3 LYS 49 HE1 LYS 49 -14.078 -9.804 1.887 356 HZ1 LYS 49 HZ1 LYS 49 -15.878 -8.336 2.107 357 HZ2 LYS 49 HZ2 LYS 49 -15.842 -8.748 0.458 358 HZ3 LYS 49 HZ3 LYS 49 -15.247 -7.243 0.975 359 HA PRO 50 HA PRO 50 -8.185 -9.821 2.476 360 HB2 PRO 50 HB2 PRO 50 -6.271 -10.241 4.402 361 HB3 PRO 50 HB1 PRO 50 -6.202 -8.924 3.218 362 HG2 PRO 50 HG2 PRO 50 -6.878 -8.806 6.119 363 HG3 PRO 50 HG1 PRO 50 -6.206 -7.547 5.070 364 HD2 PRO 50 HD2 PRO 50 -8.906 -7.745 5.897 365 HD3 PRO 50 HD1 PRO 50 -8.282 -6.700 4.603 366 H THR 51 HN THR 51 -7.104 -12.037 3.612 367 HA THR 51 HA THR 51 -9.471 -13.364 4.790 368 HB THR 51 HB THR 51 -8.078 -15.447 4.446 369 HG1 THR 51 HG1 THR 51 -6.036 -14.936 4.311 370 HG21 THR 51 HG21 THR 51 -8.032 -15.074 1.840 371 HG22 THR 51 HG22 THR 51 -8.835 -13.557 2.245 372 HG23 THR 51 HG23 THR 51 -9.573 -15.093 2.698
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