NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25680 | 2kb3 | 16038 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 14.607 -10.028 18.261 2 H2 MET 1 2HT MET 1 15.569 -11.060 17.321 3 H3 MET 1 3HT MET 1 13.896 -10.921 17.044 4 HA MET 1 HA MET 1 15.773 -8.702 16.746 5 HB2 MET 1 2HB MET 1 14.401 -10.384 14.621 6 HB3 MET 1 1HB MET 1 15.317 -8.927 14.300 7 HG2 MET 1 2HG MET 1 16.738 -10.722 13.738 8 HG3 MET 1 1HG MET 1 17.318 -10.112 15.284 9 HE1 MET 1 2HE MET 1 14.292 -12.520 14.352 10 HE2 MET 1 3HE MET 1 15.033 -14.086 14.675 11 HE3 MET 1 1HE MET 1 15.644 -13.073 13.365 12 H SER 2 H SER 2 14.702 -6.824 15.880 13 HA SER 2 HA SER 2 11.805 -6.883 15.795 14 HB2 SER 2 2HB SER 2 12.216 -6.570 18.177 15 HB3 SER 2 1HB SER 2 13.295 -5.222 17.849 16 HG SER 2 HG SER 2 11.698 -3.981 17.719 17 H ASP 3 H ASP 3 14.735 -4.903 15.703 18 HA ASP 3 HA ASP 3 13.491 -2.881 14.096 19 HB2 ASP 3 2HB ASP 3 15.659 -1.795 14.040 20 HB3 ASP 3 1HB ASP 3 15.344 -2.354 15.670 21 H ASN 4 H ASN 4 14.492 -2.239 12.007 22 HA ASN 4 HA ASN 4 14.365 -4.454 10.205 23 HB2 ASN 4 2HB ASN 4 15.129 -1.560 9.665 24 HB3 ASN 4 1HB ASN 4 14.813 -2.771 8.431 25 HD21 ASN 4 1HD2 ASN 4 13.497 -0.224 8.862 26 HD22 ASN 4 2HD2 ASN 4 11.829 -0.559 9.136 27 H ASN 5 H ASN 5 15.986 -5.765 9.839 28 HA ASN 5 HA ASN 5 18.601 -5.133 10.788 29 HB2 ASN 5 2HB ASN 5 17.456 -7.586 9.471 30 HB3 ASN 5 1HB ASN 5 19.178 -7.425 9.764 31 HD21 ASN 5 1HD2 ASN 5 16.773 -6.152 12.000 32 HD22 ASN 5 2HD2 ASN 5 17.073 -7.289 13.248 33 H GLY 6 H GLY 6 19.619 -3.670 9.737 34 HA2 GLY 6 2HA GLY 6 21.179 -3.925 7.634 35 HA3 GLY 6 1HA GLY 6 19.639 -3.535 6.861 36 H THR 7 H THR 7 20.366 -1.446 6.205 37 HA THR 7 HA THR 7 20.524 0.327 8.500 38 HB THR 7 HB THR 7 22.741 0.350 7.615 39 HG1 THR 7 1HG THR 7 21.968 2.649 6.321 40 HG21 THR 7 3HG2 THR 7 21.548 0.930 4.895 41 HG22 THR 7 1HG2 THR 7 22.300 -0.586 5.396 42 HG23 THR 7 2HG2 THR 7 23.271 0.883 5.272 43 HA PRO 8 HA PRO 8 17.063 2.211 6.353 44 HB2 PRO 8 2HB PRO 8 16.861 3.686 8.902 45 HB3 PRO 8 1HB PRO 8 15.625 2.711 8.104 46 HG2 PRO 8 2HG PRO 8 16.824 1.904 10.376 47 HG3 PRO 8 1HG PRO 8 16.320 0.757 9.120 48 HD2 PRO 8 2HD PRO 8 19.051 1.827 9.726 49 HD3 PRO 8 1HD PRO 8 18.550 0.186 9.262 50 H GLU 9 H GLU 9 17.438 4.016 5.188 51 HA GLU 9 HA GLU 9 19.826 5.487 5.700 52 HB2 GLU 9 2HB GLU 9 17.736 5.729 3.548 53 HB3 GLU 9 1HB GLU 9 19.192 6.710 3.606 54 HG2 GLU 9 2HG GLU 9 19.147 3.703 3.445 55 HG3 GLU 9 1HG GLU 9 19.355 4.783 2.066 56 HA PRO 10 HA PRO 10 17.750 8.678 8.049 57 HB2 PRO 10 2HB PRO 10 19.938 10.322 8.261 58 HB3 PRO 10 1HB PRO 10 19.665 8.931 9.316 59 HG2 PRO 10 2HG PRO 10 21.451 9.201 6.948 60 HG3 PRO 10 1HG PRO 10 21.719 8.315 8.460 61 HD2 PRO 10 2HD PRO 10 21.002 7.129 6.117 62 HD3 PRO 10 1HD PRO 10 20.590 6.461 7.706 63 H GLN 11 H GLN 11 16.665 10.439 7.342 64 HA GLN 11 HA GLN 11 17.570 11.648 4.819 65 HB2 GLN 11 2HB GLN 11 14.781 10.877 5.623 66 HB3 GLN 11 1HB GLN 11 15.147 11.945 4.276 67 HG2 GLN 11 2HG GLN 11 16.141 9.122 4.522 68 HG3 GLN 11 1HG GLN 11 14.691 9.608 3.642 69 HE21 GLN 11 1HE2 GLN 11 18.169 9.754 3.718 70 HE22 GLN 11 2HE2 GLN 11 18.380 10.218 2.080 71 H VAL 12 H VAL 12 17.542 13.769 4.687 72 HA VAL 12 HA VAL 12 16.305 15.303 6.854 73 HB VAL 12 HB VAL 12 18.489 16.135 4.910 74 HG11 VAL 12 1HG1 VAL 12 18.675 18.158 6.252 75 HG12 VAL 12 2HG1 VAL 12 17.350 17.603 7.274 76 HG13 VAL 12 3HG1 VAL 12 17.052 17.994 5.580 77 HG21 VAL 12 3HG2 VAL 12 19.299 14.542 6.571 78 HG22 VAL 12 1HG2 VAL 12 18.681 15.565 7.865 79 HG23 VAL 12 2HG2 VAL 12 19.994 16.145 6.835 80 H GLU 13 H GLU 13 14.518 16.303 6.274 81 HA GLU 13 HA GLU 13 14.188 17.535 3.726 82 HB2 GLU 13 2HB GLU 13 13.581 15.168 3.225 83 HB3 GLU 13 1HB GLU 13 12.402 15.220 4.524 84 HG2 GLU 13 2HG GLU 13 11.377 15.437 2.329 85 HG3 GLU 13 1HG GLU 13 11.104 16.863 3.329 86 H THR 14 H THR 14 12.198 18.850 3.783 87 HA THR 14 HA THR 14 11.542 19.447 6.563 88 HB THR 14 HB THR 14 11.099 21.245 4.183 89 HG1 THR 14 1HG THR 14 13.156 21.712 4.322 90 HG21 THR 14 3HG2 THR 14 9.782 21.756 6.196 91 HG22 THR 14 1HG2 THR 14 11.020 22.984 5.928 92 HG23 THR 14 2HG2 THR 14 11.256 21.749 7.163 93 H TPO 15 H TPO 15 9.668 18.648 7.228 94 HA TPO 15 HA TPO 15 7.495 18.400 5.299 95 HB TPO 15 HB TPO 15 7.961 17.041 7.951 96 HG21 TPO 15 1HG2 TPO 15 5.928 15.811 7.561 97 HG22 TPO 15 2HG2 TPO 15 5.634 16.701 6.069 98 HG23 TPO 15 3HG2 TPO 15 5.552 17.533 7.623 99 H SER 16 H SER 16 5.755 19.574 5.457 100 HA SER 16 HA SER 16 5.329 21.396 7.657 101 HB2 SER 16 2HB SER 16 4.988 22.138 5.302 102 HB3 SER 16 1HB SER 16 3.806 20.856 5.078 103 HG SER 16 HG SER 16 3.505 23.320 6.124 104 H VAL 17 H VAL 17 3.769 20.995 9.203 105 HA VAL 17 HA VAL 17 2.587 18.349 9.250 106 HB VAL 17 HB VAL 17 2.337 20.630 11.257 107 HG11 VAL 17 1HG1 VAL 17 1.565 17.716 11.534 108 HG12 VAL 17 2HG1 VAL 17 0.451 19.079 11.416 109 HG13 VAL 17 3HG1 VAL 17 1.502 18.922 12.819 110 HG21 VAL 17 3HG2 VAL 17 4.623 19.812 11.073 111 HG22 VAL 17 1HG2 VAL 17 4.062 18.159 11.320 112 HG23 VAL 17 2HG2 VAL 17 3.912 19.346 12.618 113 H PHE 18 H PHE 18 0.581 17.915 8.668 114 HA PHE 18 HA PHE 18 -0.746 20.008 7.269 115 HB2 PHE 18 2HB PHE 18 -1.334 17.088 7.492 116 HB3 PHE 18 1HB PHE 18 -2.326 18.212 6.578 117 HD1 PHE 18 2HD PHE 18 0.938 16.550 6.739 118 HD2 PHE 18 1HD PHE 18 -1.603 19.115 4.510 119 HE1 PHE 18 2HE PHE 18 2.390 16.285 4.787 120 HE2 PHE 18 1HE PHE 18 -0.153 18.862 2.550 121 HZ PHE 18 HZ PHE 18 1.855 17.441 2.691 122 H ARG 19 H ARG 19 -2.367 21.057 7.756 123 HA ARG 19 HA ARG 19 -4.259 20.097 9.765 124 HB2 ARG 19 2HB ARG 19 -3.718 22.968 8.860 125 HB3 ARG 19 1HB ARG 19 -4.850 22.474 10.107 126 HG2 ARG 19 2HG ARG 19 -3.024 21.786 11.550 127 HG3 ARG 19 1HG ARG 19 -1.857 22.159 10.281 128 HD2 ARG 19 2HD ARG 19 -1.902 23.961 11.909 129 HD3 ARG 19 1HD ARG 19 -2.550 24.523 10.375 130 HE ARG 19 HE ARG 19 -4.564 23.580 12.160 131 HH11 ARG 19 1HH1 ARG 19 -2.605 26.416 11.341 132 HH12 ARG 19 2HH1 ARG 19 -3.665 27.542 12.034 133 HH21 ARG 19 1HH2 ARG 19 -6.035 25.146 13.141 134 HH22 ARG 19 2HH2 ARG 19 -5.665 26.803 13.078 135 H ALA 20 H ALA 20 -5.436 18.961 8.257 136 HA ALA 20 HA ALA 20 -5.886 20.277 5.678 137 HB1 ALA 20 1HB ALA 20 -5.658 17.355 6.315 138 HB2 ALA 20 2HB ALA 20 -4.427 18.360 5.551 139 HB3 ALA 20 3HB ALA 20 -5.947 18.040 4.720 140 H ASP 21 H ASP 21 -7.781 19.679 4.524 141 HA ASP 21 HA ASP 21 -10.114 19.597 6.281 142 HB2 ASP 21 2HB ASP 21 -9.919 21.459 4.672 143 HB3 ASP 21 1HB ASP 21 -9.824 20.315 3.347 144 H LEU 22 H LEU 22 -8.246 17.566 4.493 145 HA LEU 22 HA LEU 22 -9.990 15.990 3.018 146 HB2 LEU 22 2HB LEU 22 -8.232 14.258 3.026 147 HB3 LEU 22 1HB LEU 22 -7.645 15.847 2.616 148 HG LEU 22 HG LEU 22 -6.910 15.962 5.105 149 HD11 LEU 22 1HD1 LEU 22 -8.035 13.984 5.927 150 HD12 LEU 22 2HD1 LEU 22 -6.291 13.818 6.107 151 HD13 LEU 22 3HD1 LEU 22 -7.127 12.969 4.811 152 HD21 LEU 22 3HD2 LEU 22 -5.374 15.930 3.238 153 HD22 LEU 22 1HD2 LEU 22 -5.511 14.173 3.133 154 HD23 LEU 22 2HD2 LEU 22 -4.771 14.917 4.548 155 H LEU 23 H LEU 23 -9.766 16.074 6.401 156 HA LEU 23 HA LEU 23 -10.684 13.479 6.936 157 HB2 LEU 23 2HB LEU 23 -11.388 14.516 9.151 158 HB3 LEU 23 1HB LEU 23 -9.686 14.555 8.757 159 HG LEU 23 HG LEU 23 -10.088 16.981 8.026 160 HD11 LEU 23 1HD1 LEU 23 -12.631 16.606 9.585 161 HD12 LEU 23 2HD1 LEU 23 -12.492 16.986 7.868 162 HD13 LEU 23 3HD1 LEU 23 -11.949 18.149 9.078 163 HD21 LEU 23 3HD2 LEU 23 -8.884 16.411 10.033 164 HD22 LEU 23 1HD2 LEU 23 -10.396 16.217 10.920 165 HD23 LEU 23 2HD2 LEU 23 -9.923 17.805 10.324 166 H LYS 24 H LYS 24 -12.239 16.334 5.864 167 HA LYS 24 HA LYS 24 -14.926 15.594 6.444 168 HB2 LYS 24 2HB LYS 24 -14.224 17.897 6.146 169 HB3 LYS 24 1HB LYS 24 -13.677 17.567 4.519 170 HG2 LYS 24 2HG LYS 24 -16.034 17.078 3.901 171 HG3 LYS 24 1HG LYS 24 -16.514 17.600 5.518 172 HD2 LYS 24 2HD LYS 24 -14.983 19.302 3.548 173 HD3 LYS 24 1HD LYS 24 -16.724 19.392 3.803 174 HE2 LYS 24 2HE LYS 24 -16.413 20.129 6.071 175 HE3 LYS 24 1HE LYS 24 -14.682 19.832 5.988 176 HZ1 LYS 24 3HZ LYS 24 -15.281 22.180 5.758 177 HZ2 LYS 24 1HZ LYS 24 -16.112 21.828 4.327 178 HZ3 LYS 24 2HZ LYS 24 -14.433 21.586 4.441 179 H GLU 25 H GLU 25 -12.729 15.382 3.709 180 HA GLU 25 HA GLU 25 -14.495 14.141 1.896 181 HB2 GLU 25 2HB GLU 25 -12.450 15.246 1.157 182 HB3 GLU 25 1HB GLU 25 -11.472 14.099 2.054 183 HG2 GLU 25 2HG GLU 25 -12.126 12.330 0.561 184 HG3 GLU 25 1HG GLU 25 -13.252 13.406 -0.263 185 H MET 26 H MET 26 -12.294 12.876 4.333 186 HA MET 26 HA MET 26 -12.616 10.131 3.825 187 HB2 MET 26 2HB MET 26 -10.932 11.007 5.421 188 HB3 MET 26 1HB MET 26 -12.220 11.517 6.498 189 HG2 MET 26 2HG MET 26 -11.560 9.572 7.519 190 HG3 MET 26 1HG MET 26 -12.855 8.981 6.493 191 HE1 MET 26 3HE MET 26 -10.744 7.139 3.629 192 HE2 MET 26 1HE MET 26 -11.181 8.844 3.538 193 HE3 MET 26 2HE MET 26 -12.350 7.664 4.132 194 H GLU 27 H GLU 27 -14.492 12.381 5.791 195 HA GLU 27 HA GLU 27 -16.391 10.514 6.698 196 HB2 GLU 27 2HB GLU 27 -16.012 12.717 7.739 197 HB3 GLU 27 1HB GLU 27 -16.715 13.490 6.324 198 HG2 GLU 27 2HG GLU 27 -18.812 12.251 6.761 199 HG3 GLU 27 1HG GLU 27 -18.092 11.654 8.253 200 H SER 28 H SER 28 -16.231 12.523 3.795 201 HA SER 28 HA SER 28 -18.840 11.904 2.884 202 HB2 SER 28 2HB SER 28 -16.407 12.739 1.282 203 HB3 SER 28 1HB SER 28 -18.077 12.797 0.718 204 HG SER 28 HG SER 28 -17.868 14.024 3.083 205 H SER 29 H SER 29 -15.949 10.143 2.972 206 HA SER 29 HA SER 29 -16.723 8.289 0.919 207 HB2 SER 29 2HB SER 29 -14.358 8.856 1.218 208 HB3 SER 29 1HB SER 29 -14.412 8.236 2.868 209 HG SER 29 HG SER 29 -15.350 6.469 1.032 210 H THR 30 H THR 30 -17.320 8.725 4.273 211 HA THR 30 HA THR 30 -17.463 6.116 5.191 212 HB THR 30 HB THR 30 -19.143 8.490 6.011 213 HG1 THR 30 1HG THR 30 -17.405 8.826 7.479 214 HG21 THR 30 3HG2 THR 30 -18.230 6.054 7.579 215 HG22 THR 30 1HG2 THR 30 -19.870 6.327 6.984 216 HG23 THR 30 2HG2 THR 30 -19.186 7.393 8.211 217 H GLY 31 H GLY 31 -18.712 4.556 4.618 218 HA2 GLY 31 2HA GLY 31 -21.478 4.722 4.122 219 HA3 GLY 31 1HA GLY 31 -20.578 4.560 2.615 220 H THR 32 H THR 32 -19.106 2.837 2.400 221 HA THR 32 HA THR 32 -19.662 0.648 4.231 222 HB THR 32 HB THR 32 -20.533 0.202 1.918 223 HG1 THR 32 1HG THR 32 -20.074 -1.669 2.787 224 HG21 THR 32 3HG2 THR 32 -18.908 -0.239 0.101 225 HG22 THR 32 1HG2 THR 32 -17.614 0.364 1.133 226 HG23 THR 32 2HG2 THR 32 -18.897 1.455 0.598 227 H ALA 33 H ALA 33 -17.876 -0.581 4.862 228 HA ALA 33 HA ALA 33 -15.253 0.490 4.123 229 HB1 ALA 33 1HB ALA 33 -16.156 -0.520 6.836 230 HB2 ALA 33 2HB ALA 33 -15.773 1.151 6.422 231 HB3 ALA 33 3HB ALA 33 -14.500 -0.067 6.420 232 HA PRO 34 HA PRO 34 -15.204 -3.772 2.690 233 HB2 PRO 34 2HB PRO 34 -12.318 -3.266 2.279 234 HB3 PRO 34 1HB PRO 34 -13.535 -3.787 1.113 235 HG2 PRO 34 2HG PRO 34 -12.533 -1.306 1.044 236 HG3 PRO 34 1HG PRO 34 -14.237 -1.627 0.671 237 HD2 PRO 34 2HD PRO 34 -13.020 -0.523 3.173 238 HD3 PRO 34 1HD PRO 34 -14.523 -0.065 2.335 239 H ALA 35 H ALA 35 -14.748 -5.604 3.715 240 HA ALA 35 HA ALA 35 -12.675 -5.641 5.763 241 HB1 ALA 35 1HB ALA 35 -14.828 -5.315 6.894 242 HB2 ALA 35 2HB ALA 35 -14.174 -6.918 7.232 243 HB3 ALA 35 3HB ALA 35 -15.479 -6.726 6.062 244 H SER 36 H SER 36 -11.363 -7.346 5.408 245 HA SER 36 HA SER 36 -12.533 -9.664 4.118 246 HB2 SER 36 2HB SER 36 -9.817 -8.462 3.473 247 HB3 SER 36 1HB SER 36 -10.490 -9.931 2.766 248 HG SER 36 HG SER 36 -12.252 -7.949 2.469 249 H THR 37 H THR 37 -11.570 -11.642 4.801 250 HA THR 37 HA THR 37 -9.741 -11.398 7.038 251 HB THR 37 HB THR 37 -10.972 -13.537 7.895 252 HG1 THR 37 1HG THR 37 -12.936 -12.372 6.198 253 HG21 THR 37 3HG2 THR 37 -12.319 -10.832 8.055 254 HG22 THR 37 1HG2 THR 37 -11.008 -11.394 9.090 255 HG23 THR 37 2HG2 THR 37 -12.588 -12.174 9.166 256 H GLY 38 H GLY 38 -8.310 -13.239 7.280 257 HA2 GLY 38 2HA GLY 38 -7.664 -15.447 6.435 258 HA3 GLY 38 1HA GLY 38 -8.163 -14.894 4.842 259 H ALA 39 H ALA 39 -6.480 -12.739 6.954 260 HA ALA 39 HA ALA 39 -4.349 -12.458 5.072 261 HB1 ALA 39 1HB ALA 39 -4.643 -11.293 7.845 262 HB2 ALA 39 2HB ALA 39 -5.171 -10.523 6.350 263 HB3 ALA 39 3HB ALA 39 -3.454 -10.802 6.640 264 H GLU 40 H GLU 40 -4.912 -14.103 8.079 265 HA GLU 40 HA GLU 40 -2.126 -14.735 8.457 266 HB2 GLU 40 2HB GLU 40 -2.905 -16.067 10.409 267 HB3 GLU 40 1HB GLU 40 -3.372 -14.382 10.479 268 HG2 GLU 40 2HG GLU 40 -5.239 -16.555 9.538 269 HG3 GLU 40 1HG GLU 40 -5.084 -16.103 11.228 270 H ASN 41 H ASN 41 -4.390 -15.821 6.455 271 HA ASN 41 HA ASN 41 -3.866 -18.658 6.578 272 HB2 ASN 41 2HB ASN 41 -5.255 -16.956 4.491 273 HB3 ASN 41 1HB ASN 41 -5.046 -18.687 4.322 274 HD21 ASN 41 1HD2 ASN 41 -7.219 -19.082 4.273 275 HD22 ASN 41 2HD2 ASN 41 -8.243 -18.931 5.645 276 H LEU 42 H LEU 42 -2.811 -15.858 4.860 277 HA LEU 42 HA LEU 42 -1.153 -15.372 3.487 278 HB2 LEU 42 2HB LEU 42 0.102 -17.656 4.953 279 HB3 LEU 42 1HB LEU 42 0.999 -16.650 3.822 280 HG LEU 42 HG LEU 42 -0.333 -15.688 6.360 281 HD11 LEU 42 1HD1 LEU 42 1.939 -15.417 7.193 282 HD12 LEU 42 2HD1 LEU 42 2.578 -16.107 5.701 283 HD13 LEU 42 3HD1 LEU 42 1.608 -17.102 6.787 284 HD21 LEU 42 3HD2 LEU 42 0.911 -13.606 5.919 285 HD22 LEU 42 1HD2 LEU 42 -0.278 -13.941 4.660 286 HD23 LEU 42 2HD2 LEU 42 1.431 -14.260 4.367 287 HA PRO 43 HA PRO 43 -2.486 -18.121 0.080 288 HB2 PRO 43 2HB PRO 43 -1.722 -16.123 -1.758 289 HB3 PRO 43 1HB PRO 43 -3.361 -16.421 -1.187 290 HG2 PRO 43 2HG PRO 43 -1.371 -14.399 -0.282 291 HG3 PRO 43 1HG PRO 43 -3.141 -14.283 -0.361 292 HD2 PRO 43 2HD PRO 43 -1.834 -14.569 1.923 293 HD3 PRO 43 1HD PRO 43 -3.404 -15.360 1.668 294 H ALA 44 H ALA 44 0.198 -15.900 -0.574 295 HA ALA 44 HA ALA 44 1.938 -18.237 -1.079 296 HB1 ALA 44 1HB ALA 44 1.341 -17.078 -3.162 297 HB2 ALA 44 2HB ALA 44 3.064 -16.937 -2.811 298 HB3 ALA 44 3HB ALA 44 1.989 -15.576 -2.504 299 H GLY 45 H GLY 45 1.431 -16.327 1.244 300 HA2 GLY 45 2HA GLY 45 2.753 -15.523 2.971 301 HA3 GLY 45 1HA GLY 45 4.163 -16.011 2.043 302 H SER 46 H SER 46 1.908 -13.979 0.455 303 HA SER 46 HA SER 46 3.460 -11.612 1.047 304 HB2 SER 46 2HB SER 46 4.480 -12.576 -0.949 305 HB3 SER 46 1HB SER 46 2.913 -12.677 -1.752 306 HG SER 46 HG SER 46 4.453 -10.393 -1.077 307 H ALA 47 H ALA 47 2.342 -9.728 0.002 308 HA ALA 47 HA ALA 47 -0.505 -9.900 -0.283 309 HB1 ALA 47 1HB ALA 47 -0.265 -9.836 2.155 310 HB2 ALA 47 2HB ALA 47 -0.966 -8.336 1.547 311 HB3 ALA 47 3HB ALA 47 0.734 -8.391 2.014 312 H LEU 48 H LEU 48 -1.375 -7.723 -0.890 313 HA LEU 48 HA LEU 48 0.723 -6.041 -1.972 314 HB2 LEU 48 2HB LEU 48 -0.389 -5.999 -4.191 315 HB3 LEU 48 1HB LEU 48 0.316 -7.542 -3.776 316 HG LEU 48 HG LEU 48 -2.093 -8.223 -3.114 317 HD11 LEU 48 1HD1 LEU 48 -3.115 -6.026 -3.175 318 HD12 LEU 48 2HD1 LEU 48 -3.883 -7.120 -4.325 319 HD13 LEU 48 3HD1 LEU 48 -2.752 -5.892 -4.897 320 HD21 LEU 48 3HD2 LEU 48 -2.583 -8.872 -5.436 321 HD22 LEU 48 1HD2 LEU 48 -0.904 -9.169 -4.986 322 HD23 LEU 48 2HD2 LEU 48 -1.313 -7.777 -5.984 323 H LEU 49 H LEU 49 -0.069 -3.967 -2.722 324 HA LEU 49 HA LEU 49 -2.656 -3.294 -1.563 325 HB2 LEU 49 2HB LEU 49 -1.908 -1.206 -0.659 326 HB3 LEU 49 1HB LEU 49 -0.833 -2.438 -0.053 327 HG LEU 49 HG LEU 49 -0.148 -0.515 -2.295 328 HD11 LEU 49 1HD1 LEU 49 -0.476 0.653 -0.181 329 HD12 LEU 49 2HD1 LEU 49 1.224 0.633 -0.642 330 HD13 LEU 49 3HD1 LEU 49 0.636 -0.461 0.613 331 HD21 LEU 49 3HD2 LEU 49 1.601 -2.356 -0.669 332 HD22 LEU 49 1HD2 LEU 49 2.153 -1.229 -1.907 333 HD23 LEU 49 2HD2 LEU 49 1.145 -2.606 -2.357 334 H VAL 50 H VAL 50 -3.904 -2.084 -2.780 335 HA VAL 50 HA VAL 50 -2.785 -1.294 -5.370 336 HB VAL 50 HB VAL 50 -4.506 -3.053 -5.570 337 HG11 VAL 50 1HG1 VAL 50 -6.395 -1.105 -4.276 338 HG12 VAL 50 2HG1 VAL 50 -5.823 -2.631 -3.599 339 HG13 VAL 50 3HG1 VAL 50 -6.858 -2.634 -5.026 340 HG21 VAL 50 3HG2 VAL 50 -4.307 -1.471 -7.405 341 HG22 VAL 50 1HG2 VAL 50 -5.450 -0.384 -6.614 342 HG23 VAL 50 2HG2 VAL 50 -5.992 -1.957 -7.204 343 H VAL 51 H VAL 51 -3.014 0.764 -6.073 344 HA VAL 51 HA VAL 51 -3.817 2.722 -4.092 345 HB VAL 51 HB VAL 51 -3.079 3.196 -6.981 346 HG11 VAL 51 1HG1 VAL 51 -4.010 5.110 -5.788 347 HG12 VAL 51 2HG1 VAL 51 -2.312 5.382 -6.173 348 HG13 VAL 51 3HG1 VAL 51 -2.781 4.940 -4.534 349 HG21 VAL 51 3HG2 VAL 51 -1.138 2.944 -4.680 350 HG22 VAL 51 1HG2 VAL 51 -0.737 3.502 -6.300 351 HG23 VAL 51 2HG2 VAL 51 -1.284 1.844 -6.051 352 H LYS 52 H LYS 52 -5.846 3.288 -3.900 353 HA LYS 52 HA LYS 52 -7.708 2.495 -5.992 354 HB2 LYS 52 2HB LYS 52 -8.040 2.019 -3.514 355 HB3 LYS 52 1HB LYS 52 -8.337 3.740 -3.332 356 HG2 LYS 52 2HG LYS 52 -10.426 2.533 -3.426 357 HG3 LYS 52 1HG LYS 52 -10.251 3.564 -4.847 358 HD2 LYS 52 2HD LYS 52 -9.603 1.667 -6.205 359 HD3 LYS 52 1HD LYS 52 -9.597 0.613 -4.786 360 HE2 LYS 52 2HE LYS 52 -11.977 0.963 -4.517 361 HE3 LYS 52 1HE LYS 52 -11.983 2.063 -5.895 362 HZ1 LYS 52 3HZ LYS 52 -11.258 -0.816 -6.014 363 HZ2 LYS 52 1HZ LYS 52 -11.354 0.237 -7.328 364 HZ3 LYS 52 2HZ LYS 52 -12.749 -0.181 -6.463 365 H ARG 53 H ARG 53 -6.375 5.280 -4.468 366 HA ARG 53 HA ARG 53 -7.207 6.966 -6.642 367 HB2 ARG 53 2HB ARG 53 -9.083 7.268 -4.974 368 HB3 ARG 53 1HB ARG 53 -7.886 7.707 -3.761 369 HG2 ARG 53 2HG ARG 53 -7.229 9.640 -5.115 370 HG3 ARG 53 1HG ARG 53 -8.449 9.207 -6.309 371 HD2 ARG 53 2HD ARG 53 -10.201 9.551 -4.644 372 HD3 ARG 53 1HD ARG 53 -8.982 9.952 -3.435 373 HE ARG 53 HE ARG 53 -8.699 11.603 -5.721 374 HH11 ARG 53 1HH1 ARG 53 -10.814 11.234 -2.885 375 HH12 ARG 53 2HH1 ARG 53 -11.151 12.903 -2.797 376 HH21 ARG 53 1HH2 ARG 53 -9.235 13.861 -5.563 377 HH22 ARG 53 2HH2 ARG 53 -10.312 14.398 -4.354 378 H GLY 54 H GLY 54 -5.628 8.624 -6.886 379 HA2 GLY 54 2HA GLY 54 -3.903 9.743 -5.319 380 HA3 GLY 54 1HA GLY 54 -3.250 8.107 -5.313 381 HA PRO 55 HA PRO 55 -1.567 10.466 -8.975 382 HB2 PRO 55 2HB PRO 55 0.994 9.333 -8.053 383 HB3 PRO 55 1HB PRO 55 0.589 11.013 -8.422 384 HG2 PRO 55 2HG PRO 55 1.012 10.166 -5.900 385 HG3 PRO 55 1HG PRO 55 -0.167 11.437 -6.284 386 HD2 PRO 55 2HD PRO 55 -0.619 8.546 -5.680 387 HD3 PRO 55 1HD PRO 55 -1.554 9.966 -5.159 388 H ASN 56 H ASN 56 -0.336 7.422 -7.683 389 HA ASN 56 HA ASN 56 -0.195 6.234 -10.311 390 HB2 ASN 56 2HB ASN 56 0.748 4.259 -8.860 391 HB3 ASN 56 1HB ASN 56 1.746 5.661 -9.199 392 HD21 ASN 56 1HD2 ASN 56 2.985 5.211 -7.411 393 HD22 ASN 56 2HD2 ASN 56 2.470 5.554 -5.804 394 H ALA 57 H ALA 57 -2.777 6.781 -9.075 395 HA ALA 57 HA ALA 57 -4.042 4.583 -7.907 396 HB1 ALA 57 1HB ALA 57 -6.125 5.570 -8.566 397 HB2 ALA 57 2HB ALA 57 -5.312 6.574 -9.769 398 HB3 ALA 57 3HB ALA 57 -5.013 6.837 -8.050 399 H GLY 58 H GLY 58 -4.846 2.724 -8.557 400 HA2 GLY 58 2HA GLY 58 -5.902 1.322 -10.155 401 HA3 GLY 58 1HA GLY 58 -5.068 2.204 -11.429 402 H ALA 59 H ALA 59 -2.625 2.062 -9.549 403 HA ALA 59 HA ALA 59 -1.687 -0.461 -10.657 404 HB1 ALA 59 1HB ALA 59 -0.206 1.721 -9.193 405 HB2 ALA 59 2HB ALA 59 -0.270 1.504 -10.943 406 HB3 ALA 59 3HB ALA 59 0.532 0.303 -9.927 407 H ARG 60 H ARG 60 -0.868 -2.154 -9.424 408 HA ARG 60 HA ARG 60 -1.308 -1.911 -6.549 409 HB2 ARG 60 2HB ARG 60 -1.900 -4.292 -6.420 410 HB3 ARG 60 1HB ARG 60 -3.001 -3.454 -7.496 411 HG2 ARG 60 2HG ARG 60 -1.879 -4.385 -9.433 412 HG3 ARG 60 1HG ARG 60 -0.665 -5.131 -8.397 413 HD2 ARG 60 2HD ARG 60 -2.428 -6.503 -7.347 414 HD3 ARG 60 1HD ARG 60 -3.621 -5.774 -8.418 415 HE ARG 60 HE ARG 60 -1.837 -6.703 -10.147 416 HH11 ARG 60 1HH1 ARG 60 -3.540 -8.325 -7.494 417 HH12 ARG 60 2HH1 ARG 60 -3.392 -9.889 -8.151 418 HH21 ARG 60 1HH2 ARG 60 -1.695 -8.859 -11.090 419 HH22 ARG 60 2HH2 ARG 60 -2.337 -10.184 -10.251 420 H PHE 61 H PHE 61 0.288 -2.532 -5.272 421 HA PHE 61 HA PHE 61 2.755 -3.480 -6.585 422 HB2 PHE 61 2HB PHE 61 2.494 -1.688 -4.148 423 HB3 PHE 61 1HB PHE 61 3.997 -2.218 -4.883 424 HD1 PHE 61 2HD PHE 61 4.746 -1.240 -7.007 425 HD2 PHE 61 1HD PHE 61 1.198 0.102 -5.074 426 HE1 PHE 61 2HE PHE 61 4.754 0.788 -8.398 427 HE2 PHE 61 1HE PHE 61 1.206 2.131 -6.465 428 HZ PHE 61 HZ PHE 61 2.980 2.473 -8.128 429 H LEU 62 H LEU 62 3.821 -5.161 -5.493 430 HA LEU 62 HA LEU 62 2.291 -6.213 -3.235 431 HB2 LEU 62 2HB LEU 62 2.954 -8.495 -3.770 432 HB3 LEU 62 1HB LEU 62 2.096 -7.765 -5.098 433 HG LEU 62 HG LEU 62 5.112 -8.049 -5.068 434 HD11 LEU 62 1HD1 LEU 62 4.080 -10.258 -4.856 435 HD12 LEU 62 2HD1 LEU 62 4.781 -10.034 -6.459 436 HD13 LEU 62 3HD1 LEU 62 3.038 -9.903 -6.234 437 HD21 LEU 62 3HD2 LEU 62 4.272 -6.432 -6.697 438 HD22 LEU 62 1HD2 LEU 62 3.107 -7.619 -7.295 439 HD23 LEU 62 2HD2 LEU 62 4.830 -7.890 -7.514 440 H LEU 63 H LEU 63 3.260 -6.956 -1.438 441 HA LEU 63 HA LEU 63 5.950 -5.929 -1.039 442 HB2 LEU 63 2HB LEU 63 3.960 -7.061 0.950 443 HB3 LEU 63 1HB LEU 63 5.524 -6.414 1.372 444 HG LEU 63 HG LEU 63 4.682 -4.173 0.480 445 HD11 LEU 63 1HD1 LEU 63 2.790 -4.884 -0.811 446 HD12 LEU 63 2HD1 LEU 63 2.237 -3.854 0.519 447 HD13 LEU 63 3HD1 LEU 63 2.044 -5.603 0.611 448 HD21 LEU 63 3HD2 LEU 63 3.393 -5.419 2.897 449 HD22 LEU 63 1HD2 LEU 63 3.425 -3.689 2.543 450 HD23 LEU 63 2HD2 LEU 63 4.929 -4.549 2.815 451 H ASP 64 H ASP 64 7.416 -7.342 -1.728 452 HA ASP 64 HA ASP 64 7.057 -10.173 -1.001 453 HB2 ASP 64 2HB ASP 64 7.149 -9.764 -3.432 454 HB3 ASP 64 1HB ASP 64 8.681 -8.929 -3.243 455 H GLN 65 H GLN 65 8.559 -7.489 -0.057 456 HA GLN 65 HA GLN 65 11.026 -8.846 0.695 457 HB2 GLN 65 2HB GLN 65 12.060 -6.593 0.978 458 HB3 GLN 65 1HB GLN 65 11.594 -6.935 -0.671 459 HG2 GLN 65 2HG GLN 65 9.892 -5.298 1.193 460 HG3 GLN 65 1HG GLN 65 11.163 -4.597 0.201 461 HE21 GLN 65 1HE2 GLN 65 8.243 -4.229 0.218 462 HE22 GLN 65 2HE2 GLN 65 7.798 -4.446 -1.436 463 HA PRO 66 HA PRO 66 9.838 -8.732 4.915 464 HB2 PRO 66 2HB PRO 66 12.570 -7.880 5.658 465 HB3 PRO 66 1HB PRO 66 11.684 -9.338 6.110 466 HG2 PRO 66 2HG PRO 66 13.684 -9.465 4.363 467 HG3 PRO 66 1HG PRO 66 12.219 -10.437 4.142 468 HD2 PRO 66 2HD PRO 66 13.011 -7.878 2.807 469 HD3 PRO 66 1HD PRO 66 12.309 -9.353 2.100 470 H THR 67 H THR 67 11.268 -5.860 3.581 471 HA THR 67 HA THR 67 9.830 -4.283 5.557 472 HB THR 67 HB THR 67 12.734 -3.731 4.870 473 HG1 THR 67 1HG THR 67 11.506 -5.244 6.851 474 HG21 THR 67 3HG2 THR 67 12.571 -2.079 6.684 475 HG22 THR 67 1HG2 THR 67 10.875 -2.504 6.920 476 HG23 THR 67 2HG2 THR 67 11.389 -1.740 5.417 477 H THR 68 H THR 68 8.661 -2.829 4.477 478 HA THR 68 HA THR 68 9.532 -1.997 1.793 479 HB THR 68 HB THR 68 6.708 -2.311 2.825 480 HG1 THR 68 1HG THR 68 7.373 -4.370 2.708 481 HG21 THR 68 3HG2 THR 68 7.092 -0.786 0.888 482 HG22 THR 68 1HG2 THR 68 6.085 -2.185 0.488 483 HG23 THR 68 2HG2 THR 68 7.777 -2.168 0.018 484 H THR 69 H THR 69 10.081 0.179 1.944 485 HA THR 69 HA THR 69 8.825 1.787 4.026 486 HB THR 69 HB THR 69 11.114 2.483 2.166 487 HG1 THR 69 1HG THR 69 11.754 0.758 3.459 488 HG21 THR 69 3HG2 THR 69 11.632 4.209 3.851 489 HG22 THR 69 1HG2 THR 69 10.225 3.715 4.791 490 HG23 THR 69 2HG2 THR 69 10.010 4.440 3.200 491 H ALA 70 H ALA 70 7.433 3.533 3.568 492 HA ALA 70 HA ALA 70 6.862 4.019 0.745 493 HB1 ALA 70 1HB ALA 70 5.072 2.743 1.828 494 HB2 ALA 70 2HB ALA 70 4.524 4.348 1.349 495 HB3 ALA 70 3HB ALA 70 4.901 4.012 3.041 496 H GLY 71 H GLY 71 6.787 6.037 0.097 497 HA2 GLY 71 2HA GLY 71 6.087 8.384 0.823 498 HA3 GLY 71 1HA GLY 71 7.364 8.175 2.026 499 H ARG 72 H ARG 72 8.374 10.065 0.921 500 HA ARG 72 HA ARG 72 9.549 9.323 -1.638 501 HB2 ARG 72 2HB ARG 72 8.577 11.670 -1.251 502 HB3 ARG 72 1HB ARG 72 9.885 11.947 -0.118 503 HG2 ARG 72 2HG ARG 72 10.326 11.298 -3.042 504 HG3 ARG 72 1HG ARG 72 10.194 12.933 -2.428 505 HD2 ARG 72 2HD ARG 72 12.259 10.973 -1.421 506 HD3 ARG 72 1HD ARG 72 12.540 12.010 -2.815 507 HE ARG 72 HE ARG 72 11.840 13.793 -0.985 508 HH11 ARG 72 1HH1 ARG 72 14.071 11.088 -0.669 509 HH12 ARG 72 2HH1 ARG 72 15.188 11.895 0.325 510 HH21 ARG 72 1HH2 ARG 72 13.378 14.986 0.400 511 HH22 ARG 72 2HH2 ARG 72 14.787 14.183 0.905 512 H HIS 73 H HIS 73 11.449 8.328 -1.556 513 HA HIS 73 HA HIS 73 13.515 8.911 0.254 514 HB2 HIS 73 2HB HIS 73 11.858 7.470 1.595 515 HB3 HIS 73 1HB HIS 73 12.063 6.258 0.333 516 HD1 HIS 73 1HD HIS 73 13.327 4.416 1.538 517 HD2 HIS 73 2HD HIS 73 14.785 8.211 2.118 518 HE1 HIS 73 1HE HIS 73 15.444 4.102 2.867 519 HA PRO 74 HA PRO 74 15.042 7.346 -3.665 520 HB2 PRO 74 2HB PRO 74 17.565 6.536 -2.857 521 HB3 PRO 74 1HB PRO 74 17.159 8.195 -3.302 522 HG2 PRO 74 2HG PRO 74 17.369 6.959 -0.590 523 HG3 PRO 74 1HG PRO 74 17.881 8.567 -1.133 524 HD2 PRO 74 2HD PRO 74 15.636 8.193 0.276 525 HD3 PRO 74 1HD PRO 74 15.735 9.430 -0.994 526 H GLU 75 H GLU 75 15.222 5.525 -0.748 527 HA GLU 75 HA GLU 75 15.406 3.043 -2.275 528 HB2 GLU 75 2HB GLU 75 15.775 3.455 0.687 529 HB3 GLU 75 1HB GLU 75 16.089 1.979 -0.206 530 HG2 GLU 75 2HG GLU 75 17.594 4.580 -0.381 531 HG3 GLU 75 1HG GLU 75 18.171 3.052 0.277 532 H SER 76 H SER 76 12.849 4.805 -1.631 533 HA SER 76 HA SER 76 11.432 2.927 0.034 534 HB2 SER 76 2HB SER 76 9.356 4.287 -0.561 535 HB3 SER 76 1HB SER 76 10.561 5.133 0.375 536 HG SER 76 HG SER 76 9.657 6.302 -1.408 537 H ASP 77 H ASP 77 10.295 1.264 -0.528 538 HA ASP 77 HA ASP 77 10.391 0.429 -3.263 539 HB2 ASP 77 2HB ASP 77 10.583 -1.078 -1.191 540 HB3 ASP 77 1HB ASP 77 8.832 -0.911 -1.068 541 H ILE 78 H ILE 78 8.070 1.833 -1.100 542 HA ILE 78 HA ILE 78 6.104 1.804 -3.274 543 HB ILE 78 HB ILE 78 5.621 2.312 -0.315 544 HG12 ILE 78 2HG1 ILE 78 6.090 -0.044 -0.756 545 HG13 ILE 78 1HG1 ILE 78 4.402 0.175 -0.312 546 HG21 ILE 78 1HG2 ILE 78 3.632 2.116 -2.581 547 HG22 ILE 78 2HG2 ILE 78 4.083 3.578 -1.707 548 HG23 ILE 78 3HG2 ILE 78 3.230 2.283 -0.870 549 HD11 ILE 78 3HD1 ILE 78 4.599 -1.424 -2.101 550 HD12 ILE 78 1HD1 ILE 78 5.509 -0.267 -3.076 551 HD13 ILE 78 2HD1 ILE 78 3.813 0.036 -2.704 552 H PHE 79 H PHE 79 6.659 3.527 -4.440 553 HA PHE 79 HA PHE 79 7.200 6.028 -3.077 554 HB2 PHE 79 2HB PHE 79 8.671 5.413 -4.955 555 HB3 PHE 79 1HB PHE 79 7.280 5.366 -6.033 556 HD1 PHE 79 2HD PHE 79 9.251 7.613 -3.853 557 HD2 PHE 79 1HD PHE 79 6.527 7.311 -7.106 558 HE1 PHE 79 2HE PHE 79 9.522 10.008 -4.301 559 HE2 PHE 79 1HE PHE 79 6.792 9.711 -7.552 560 HZ PHE 79 HZ PHE 79 8.289 11.063 -6.145 561 H LEU 80 H LEU 80 5.680 7.407 -2.681 562 HA LEU 80 HA LEU 80 3.246 7.527 -4.361 563 HB2 LEU 80 2HB LEU 80 3.437 7.890 -1.351 564 HB3 LEU 80 1HB LEU 80 1.997 8.026 -2.333 565 HG LEU 80 HG LEU 80 3.533 5.473 -1.911 566 HD11 LEU 80 1HD1 LEU 80 2.527 6.203 0.172 567 HD12 LEU 80 2HD1 LEU 80 1.660 4.809 -0.471 568 HD13 LEU 80 3HD1 LEU 80 0.974 6.424 -0.632 569 HD21 LEU 80 3HD2 LEU 80 1.520 4.409 -2.861 570 HD22 LEU 80 1HD2 LEU 80 2.319 5.483 -4.004 571 HD23 LEU 80 2HD2 LEU 80 0.847 6.005 -3.186 572 H ASP 81 H ASP 81 2.716 9.657 -4.864 573 HA ASP 81 HA ASP 81 4.670 11.657 -4.048 574 HB2 ASP 81 2HB ASP 81 2.330 11.838 -5.973 575 HB3 ASP 81 1HB ASP 81 3.332 13.211 -5.540 576 H ASP 82 H ASP 82 4.397 12.715 -2.289 577 HA ASP 82 HA ASP 82 1.838 12.775 -0.918 578 HB2 ASP 82 2HB ASP 82 4.090 12.278 0.185 579 HB3 ASP 82 1HB ASP 82 4.518 13.951 -0.095 580 H VAL 83 H VAL 83 1.604 15.085 0.250 581 HA VAL 83 HA VAL 83 1.166 16.988 -1.900 582 HB VAL 83 HB VAL 83 0.558 17.277 1.062 583 HG11 VAL 83 1HG1 VAL 83 -1.103 18.921 0.339 584 HG12 VAL 83 2HG1 VAL 83 -0.582 18.702 -1.332 585 HG13 VAL 83 3HG1 VAL 83 0.532 19.373 -0.141 586 HG21 VAL 83 3HG2 VAL 83 -1.750 16.577 0.550 587 HG22 VAL 83 1HG2 VAL 83 -0.579 15.292 0.255 588 HG23 VAL 83 2HG2 VAL 83 -1.252 16.195 -1.098 589 H THR 84 H THR 84 3.089 16.399 0.939 590 HA THR 84 HA THR 84 4.811 18.667 0.263 591 HB THR 84 HB THR 84 3.702 18.685 2.613 592 HG1 THR 84 1HG THR 84 6.013 19.521 1.984 593 HG21 THR 84 3HG2 THR 84 3.838 16.258 3.064 594 HG22 THR 84 1HG2 THR 84 4.636 17.199 4.329 595 HG23 THR 84 2HG2 THR 84 5.598 16.373 3.105 596 H VAL 85 H VAL 85 7.155 17.598 1.518 597 HA VAL 85 HA VAL 85 7.310 15.073 0.092 598 HB VAL 85 HB VAL 85 9.635 16.848 0.917 599 HG11 VAL 85 1HG1 VAL 85 9.587 14.313 -0.722 600 HG12 VAL 85 2HG1 VAL 85 10.136 14.423 0.944 601 HG13 VAL 85 3HG1 VAL 85 11.010 15.283 -0.330 602 HG21 VAL 85 3HG2 VAL 85 9.921 17.189 -1.490 603 HG22 VAL 85 1HG2 VAL 85 8.343 17.755 -0.947 604 HG23 VAL 85 2HG2 VAL 85 8.483 16.217 -1.796 605 H SER 86 H SER 86 6.709 13.520 1.443 606 HA SER 86 HA SER 86 7.627 13.596 4.135 607 HB2 SER 86 2HB SER 86 6.269 11.415 4.168 608 HB3 SER 86 1HB SER 86 5.393 12.932 3.975 609 HG SER 86 HG SER 86 4.591 11.980 2.312 610 H ARG 87 H ARG 87 9.693 13.142 4.301 611 HA ARG 87 HA ARG 87 11.228 11.334 2.740 612 HB2 ARG 87 2HB ARG 87 12.948 11.576 4.510 613 HB3 ARG 87 1HB ARG 87 12.278 13.140 4.069 614 HG2 ARG 87 2HG ARG 87 10.799 13.032 6.043 615 HG3 ARG 87 1HG ARG 87 11.536 11.503 6.481 616 HD2 ARG 87 2HD ARG 87 13.653 12.606 6.877 617 HD3 ARG 87 1HD ARG 87 12.995 14.140 6.299 618 HE ARG 87 HE ARG 87 11.355 13.947 8.159 619 HH11 ARG 87 1HH1 ARG 87 14.652 12.642 8.505 620 HH12 ARG 87 2HH1 ARG 87 14.548 12.489 10.194 621 HH21 ARG 87 1HH2 ARG 87 11.240 13.686 10.495 622 HH22 ARG 87 2HH2 ARG 87 12.579 13.081 11.349 623 H ARG 88 H ARG 88 9.353 11.019 5.644 624 HA ARG 88 HA ARG 88 9.493 8.131 5.575 625 HB2 ARG 88 2HB ARG 88 10.281 9.814 7.966 626 HB3 ARG 88 1HB ARG 88 9.853 8.120 8.080 627 HG2 ARG 88 2HG ARG 88 12.151 9.226 6.494 628 HG3 ARG 88 1HG ARG 88 12.267 8.507 8.105 629 HD2 ARG 88 2HD ARG 88 11.400 6.401 7.232 630 HD3 ARG 88 1HD ARG 88 11.244 7.117 5.628 631 HE ARG 88 HE ARG 88 13.781 7.538 6.138 632 HH11 ARG 88 1HH1 ARG 88 11.892 4.607 6.684 633 HH12 ARG 88 2HH1 ARG 88 13.156 3.548 6.277 634 HH21 ARG 88 1HH2 ARG 88 15.537 6.065 5.633 635 HH22 ARG 88 2HH2 ARG 88 15.213 4.379 5.667 636 H HIS 89 H HIS 89 7.298 8.148 5.037 637 HA HIS 89 HA HIS 89 5.641 9.424 7.059 638 HB2 HIS 89 2HB HIS 89 5.116 9.859 4.617 639 HB3 HIS 89 1HB HIS 89 4.689 8.161 4.473 640 HD2 HIS 89 2HD HIS 89 3.492 10.152 7.618 641 HE1 HIS 89 1HE HIS 89 0.197 9.471 5.079 642 HE2 HIS 89 2HE HIS 89 1.003 9.669 7.436 643 H ALA 90 H ALA 90 5.982 6.236 5.388 644 HA ALA 90 HA ALA 90 5.407 4.981 7.920 645 HB1 ALA 90 1HB ALA 90 3.152 5.425 7.063 646 HB2 ALA 90 2HB ALA 90 3.496 3.695 7.118 647 HB3 ALA 90 3HB ALA 90 3.545 4.555 5.579 648 H GLU 91 H GLU 91 5.836 2.746 7.909 649 HA GLU 91 HA GLU 91 6.854 1.649 5.442 650 HB2 GLU 91 2HB GLU 91 8.781 0.595 6.644 651 HB3 GLU 91 1HB GLU 91 8.895 2.336 6.481 652 HG2 GLU 91 2HG GLU 91 8.274 2.632 8.794 653 HG3 GLU 91 1HG GLU 91 8.004 0.899 8.969 654 H PHE 92 H PHE 92 6.593 -0.472 5.203 655 HA PHE 92 HA PHE 92 4.756 -1.749 7.095 656 HB2 PHE 92 2HB PHE 92 5.309 -2.497 4.212 657 HB3 PHE 92 1HB PHE 92 4.019 -3.092 5.234 658 HD1 PHE 92 2HD PHE 92 2.178 -1.551 5.881 659 HD2 PHE 92 1HD PHE 92 5.058 -0.517 2.940 660 HE1 PHE 92 2HE PHE 92 0.669 0.209 5.033 661 HE2 PHE 92 1HE PHE 92 3.564 1.240 2.079 662 HZ PHE 92 HZ PHE 92 1.365 1.604 3.126 663 H ARG 93 H ARG 93 5.672 -3.236 8.264 664 HA ARG 93 HA ARG 93 8.211 -4.389 7.369 665 HB2 ARG 93 2HB ARG 93 7.155 -3.917 10.166 666 HB3 ARG 93 1HB ARG 93 8.709 -4.650 9.776 667 HG2 ARG 93 2HG ARG 93 9.614 -2.682 9.010 668 HG3 ARG 93 1HG ARG 93 8.045 -1.976 8.654 669 HD2 ARG 93 2HD ARG 93 8.980 -0.837 10.523 670 HD3 ARG 93 1HD ARG 93 7.624 -1.803 11.068 671 HE ARG 93 HE ARG 93 9.256 -3.395 11.929 672 HH11 ARG 93 1HH1 ARG 93 10.484 -0.184 11.097 673 HH12 ARG 93 2HH1 ARG 93 11.546 -0.077 12.435 674 HH21 ARG 93 1HH2 ARG 93 10.785 -3.292 13.733 675 HH22 ARG 93 2HH2 ARG 93 11.728 -1.893 13.954 676 H ILE 94 H ILE 94 8.290 -6.490 7.102 677 HA ILE 94 HA ILE 94 5.869 -8.017 7.688 678 HB ILE 94 HB ILE 94 8.060 -8.484 5.627 679 HG12 ILE 94 2HG1 ILE 94 6.144 -8.272 3.953 680 HG13 ILE 94 1HG1 ILE 94 5.178 -7.648 5.274 681 HG21 ILE 94 1HG2 ILE 94 7.271 -10.619 6.429 682 HG22 ILE 94 2HG2 ILE 94 6.732 -10.334 4.771 683 HG23 ILE 94 3HG2 ILE 94 5.596 -10.147 6.111 684 HD11 ILE 94 3HD1 ILE 94 6.698 -5.748 5.479 685 HD12 ILE 94 1HD1 ILE 94 6.024 -5.879 3.855 686 HD13 ILE 94 2HD1 ILE 94 7.683 -6.394 4.166 687 H ASN 95 H ASN 95 6.129 -9.236 9.430 688 HA ASN 95 HA ASN 95 8.760 -10.473 9.891 689 HB2 ASN 95 2HB ASN 95 8.426 -8.658 11.521 690 HB3 ASN 95 1HB ASN 95 6.882 -9.363 11.990 691 HD21 ASN 95 1HD2 ASN 95 7.532 -9.602 14.100 692 HD22 ASN 95 2HD2 ASN 95 8.654 -10.808 14.621 693 H GLU 96 H GLU 96 8.604 -12.511 9.714 694 HA GLU 96 HA GLU 96 7.910 -14.637 9.552 695 HB2 GLU 96 2HB GLU 96 6.429 -13.895 12.075 696 HB3 GLU 96 1HB GLU 96 6.730 -15.540 11.536 697 HG2 GLU 96 2HG GLU 96 8.820 -13.500 12.275 698 HG3 GLU 96 1HG GLU 96 8.337 -14.897 13.241 699 H GLY 97 H GLY 97 6.465 -12.899 7.982 700 HA2 GLY 97 2HA GLY 97 4.785 -13.320 6.414 701 HA3 GLY 97 1HA GLY 97 4.145 -14.564 7.476 702 H GLU 98 H GLU 98 4.529 -12.006 9.460 703 HA GLU 98 HA GLU 98 1.793 -11.140 8.973 704 HB2 GLU 98 2HB GLU 98 3.498 -10.811 11.444 705 HB3 GLU 98 1HB GLU 98 1.802 -10.361 11.292 706 HG2 GLU 98 2HG GLU 98 1.314 -12.764 10.795 707 HG3 GLU 98 1HG GLU 98 2.980 -13.118 11.214 708 H PHE 99 H PHE 99 1.292 -8.988 8.864 709 HA PHE 99 HA PHE 99 3.543 -7.315 7.991 710 HB2 PHE 99 2HB PHE 99 0.624 -7.232 7.179 711 HB3 PHE 99 1HB PHE 99 1.878 -6.173 6.561 712 HD1 PHE 99 2HD PHE 99 0.678 -9.681 6.643 713 HD2 PHE 99 1HD PHE 99 3.247 -6.862 4.762 714 HE1 PHE 99 2HE PHE 99 1.117 -11.297 4.844 715 HE2 PHE 99 1HE PHE 99 3.688 -8.477 2.954 716 HZ PHE 99 HZ PHE 99 2.624 -10.692 2.995 717 H GLU 100 H GLU 100 3.933 -5.590 9.275 718 HA GLU 100 HA GLU 100 1.709 -4.409 10.779 719 HB2 GLU 100 2HB GLU 100 3.371 -3.683 12.464 720 HB3 GLU 100 1HB GLU 100 3.334 -5.431 12.320 721 HG2 GLU 100 2HG GLU 100 5.370 -5.396 10.995 722 HG3 GLU 100 1HG GLU 100 5.351 -3.633 11.022 723 H VAL 101 H VAL 101 1.463 -2.275 10.595 724 HA VAL 101 HA VAL 101 3.244 -0.798 8.711 725 HB VAL 101 HB VAL 101 0.731 0.349 9.911 726 HG11 VAL 101 1HG1 VAL 101 0.726 1.812 7.955 727 HG12 VAL 101 2HG1 VAL 101 2.222 1.056 7.408 728 HG13 VAL 101 3HG1 VAL 101 2.194 1.953 8.926 729 HG21 VAL 101 3HG2 VAL 101 0.889 -1.245 7.375 730 HG22 VAL 101 1HG2 VAL 101 -0.481 -0.233 7.843 731 HG23 VAL 101 2HG2 VAL 101 -0.023 -1.613 8.838 732 H VAL 102 H VAL 102 4.690 0.498 9.619 733 HA VAL 102 HA VAL 102 3.971 1.616 12.229 734 HB VAL 102 HB VAL 102 6.765 1.147 11.086 735 HG11 VAL 102 1HG1 VAL 102 6.689 3.180 12.455 736 HG12 VAL 102 2HG1 VAL 102 7.595 1.903 13.272 737 HG13 VAL 102 3HG1 VAL 102 5.943 2.269 13.771 738 HG21 VAL 102 3HG2 VAL 102 5.693 -0.912 11.849 739 HG22 VAL 102 1HG2 VAL 102 5.356 -0.163 13.407 740 HG23 VAL 102 2HG2 VAL 102 7.024 -0.462 12.913 741 H ASP 103 H ASP 103 3.530 3.619 12.166 742 HA ASP 103 HA ASP 103 4.087 5.236 9.844 743 HB2 ASP 103 2HB ASP 103 1.880 5.514 10.578 744 HB3 ASP 103 1HB ASP 103 2.363 5.458 12.266 745 H VAL 104 H VAL 104 5.699 6.504 9.764 746 HA VAL 104 HA VAL 104 7.140 7.150 12.233 747 HB VAL 104 HB VAL 104 9.234 7.253 10.761 748 HG11 VAL 104 1HG1 VAL 104 7.844 4.580 11.012 749 HG12 VAL 104 2HG1 VAL 104 8.795 5.371 12.272 750 HG13 VAL 104 3HG1 VAL 104 9.578 4.824 10.791 751 HG21 VAL 104 3HG2 VAL 104 8.018 7.361 8.601 752 HG22 VAL 104 1HG2 VAL 104 7.476 5.707 8.852 753 HG23 VAL 104 2HG2 VAL 104 9.196 6.044 8.646 754 H GLY 105 H GLY 105 5.047 8.444 10.420 755 HA2 GLY 105 2HA GLY 105 6.494 10.971 10.140 756 HA3 GLY 105 1HA GLY 105 5.242 10.451 9.024 757 H SER 106 H SER 106 3.123 9.771 10.346 758 HA SER 106 HA SER 106 1.238 10.690 11.151 759 HB2 SER 106 2HB SER 106 2.283 10.131 13.306 760 HB3 SER 106 1HB SER 106 3.151 11.662 13.308 761 HG SER 106 HG SER 106 1.194 12.718 13.474 762 H LEU 107 H LEU 107 3.216 12.380 9.554 763 HA LEU 107 HA LEU 107 2.878 15.081 10.197 764 HB2 LEU 107 2HB LEU 107 3.839 15.461 7.908 765 HB3 LEU 107 1HB LEU 107 4.797 14.488 9.001 766 HG LEU 107 HG LEU 107 3.539 12.520 7.674 767 HD11 LEU 107 1HD1 LEU 107 3.406 12.989 5.303 768 HD12 LEU 107 2HD1 LEU 107 3.754 14.690 5.614 769 HD13 LEU 107 3HD1 LEU 107 2.265 13.970 6.226 770 HD21 LEU 107 3HD2 LEU 107 5.538 12.277 6.314 771 HD22 LEU 107 1HD2 LEU 107 5.950 12.739 7.962 772 HD23 LEU 107 2HD2 LEU 107 6.005 13.937 6.663 773 H ASN 108 H ASN 108 1.274 13.144 7.741 774 HA ASN 108 HA ASN 108 -0.676 15.266 7.246 775 HB2 ASN 108 2HB ASN 108 0.168 13.927 5.346 776 HB3 ASN 108 1HB ASN 108 -0.413 12.459 6.119 777 HD21 ASN 108 1HD2 ASN 108 -2.683 12.008 6.105 778 HD22 ASN 108 2HD2 ASN 108 -3.725 12.872 5.040 779 H GLY 109 H GLY 109 -0.139 12.664 9.231 780 HA2 GLY 109 2HA GLY 109 -1.539 11.724 10.847 781 HA3 GLY 109 1HA GLY 109 -2.927 12.476 10.034 782 H THR 110 H THR 110 -0.793 9.755 10.080 783 HA THR 110 HA THR 110 -1.645 8.701 7.604 784 HB THR 110 HB THR 110 -0.404 7.277 9.951 785 HG1 THR 110 1HG THR 110 1.537 8.223 9.383 786 HG21 THR 110 3HG2 THR 110 -0.047 7.020 6.946 787 HG22 THR 110 1HG2 THR 110 -1.007 5.931 7.948 788 HG23 THR 110 2HG2 THR 110 0.742 6.021 8.165 789 H TYR 111 H TYR 111 -3.526 7.525 7.301 790 HA TYR 111 HA TYR 111 -4.839 6.571 9.740 791 HB2 TYR 111 2HB TYR 111 -6.240 6.994 7.069 792 HB3 TYR 111 1HB TYR 111 -6.932 6.607 8.598 793 HD1 TYR 111 2HD TYR 111 -5.293 9.383 6.762 794 HD2 TYR 111 1HD TYR 111 -7.603 8.249 10.140 795 HE1 TYR 111 2HE TYR 111 -5.754 11.748 7.228 796 HE2 TYR 111 1HE TYR 111 -8.074 10.617 10.618 797 HH TYR 111 HH TYR 111 -7.174 12.784 10.171 798 H VAL 112 H VAL 112 -4.922 4.488 9.930 799 HA VAL 112 HA VAL 112 -4.575 2.873 7.528 800 HB VAL 112 HB VAL 112 -3.625 1.952 10.253 801 HG11 VAL 112 1HG1 VAL 112 -2.199 0.480 8.918 802 HG12 VAL 112 2HG1 VAL 112 -2.837 1.208 7.454 803 HG13 VAL 112 3HG1 VAL 112 -3.908 0.284 8.510 804 HG21 VAL 112 3HG2 VAL 112 -1.315 2.620 9.711 805 HG22 VAL 112 1HG2 VAL 112 -2.372 4.027 9.831 806 HG23 VAL 112 2HG2 VAL 112 -1.890 3.419 8.248 807 H ASN 113 H ASN 113 -6.021 1.171 7.458 808 HA ASN 113 HA ASN 113 -8.151 0.434 7.568 809 HB2 ASN 113 2HB ASN 113 -6.962 -0.442 9.798 810 HB3 ASN 113 1HB ASN 113 -8.094 0.667 10.565 811 HD21 ASN 113 1HD2 ASN 113 -7.684 -2.208 8.832 812 HD22 ASN 113 2HD2 ASN 113 -9.275 -2.878 9.015 813 H ARG 114 H ARG 114 -7.782 3.126 7.225 814 HA ARG 114 HA ARG 114 -8.814 5.175 7.110 815 HB2 ARG 114 2HB ARG 114 -11.152 3.547 8.050 816 HB3 ARG 114 1HB ARG 114 -11.265 5.282 7.822 817 HG2 ARG 114 2HG ARG 114 -10.621 4.980 5.460 818 HG3 ARG 114 1HG ARG 114 -10.605 3.232 5.725 819 HD2 ARG 114 2HD ARG 114 -12.728 4.113 4.717 820 HD3 ARG 114 1HD ARG 114 -12.947 3.213 6.219 821 HE ARG 114 HE ARG 114 -12.866 5.597 7.239 822 HH11 ARG 114 1HH1 ARG 114 -14.516 4.779 4.185 823 HH12 ARG 114 2HH1 ARG 114 -15.687 5.988 4.371 824 HH21 ARG 114 1HH2 ARG 114 -14.446 7.244 7.453 825 HH22 ARG 114 2HH2 ARG 114 -15.657 7.459 6.312 826 H GLU 115 H GLU 115 -7.742 4.155 9.970 827 HA GLU 115 HA GLU 115 -8.795 6.552 11.293 828 HB2 GLU 115 2HB GLU 115 -8.194 3.887 12.585 829 HB3 GLU 115 1HB GLU 115 -8.740 5.336 13.418 830 HG2 GLU 115 2HG GLU 115 -10.798 5.280 12.057 831 HG3 GLU 115 1HG GLU 115 -10.260 3.751 11.378 832 HA PRO 116 HA PRO 116 -4.554 7.717 11.732 833 HB2 PRO 116 2HB PRO 116 -4.565 8.858 14.252 834 HB3 PRO 116 1HB PRO 116 -5.087 9.698 12.791 835 HG2 PRO 116 2HG PRO 116 -6.724 8.367 14.904 836 HG3 PRO 116 1HG PRO 116 -7.055 9.857 14.006 837 HD2 PRO 116 2HD PRO 116 -8.280 7.522 13.427 838 HD3 PRO 116 1HD PRO 116 -7.890 8.718 12.179 839 H ARG 117 H ARG 117 -2.927 6.349 12.154 840 HA ARG 117 HA ARG 117 -2.922 4.926 14.691 841 HB2 ARG 117 2HB ARG 117 -4.254 3.663 12.872 842 HB3 ARG 117 1HB ARG 117 -2.698 3.395 12.106 843 HG2 ARG 117 2HG ARG 117 -3.257 1.460 13.368 844 HG3 ARG 117 1HG ARG 117 -1.941 2.288 14.206 845 HD2 ARG 117 2HD ARG 117 -3.613 1.530 15.798 846 HD3 ARG 117 1HD ARG 117 -3.603 3.293 15.750 847 HE ARG 117 HE ARG 117 -5.511 2.030 13.996 848 HH11 ARG 117 1HH1 ARG 117 -5.063 3.253 17.276 849 HH12 ARG 117 2HH1 ARG 117 -6.700 3.635 17.503 850 HH21 ARG 117 1HH2 ARG 117 -7.741 2.448 14.345 851 HH22 ARG 117 2HH2 ARG 117 -8.280 3.127 15.812 852 H ASN 118 H ASN 118 -0.890 4.622 15.381 853 HA ASN 118 HA ASN 118 1.258 5.674 13.745 854 HB2 ASN 118 2HB ASN 118 1.072 5.014 16.668 855 HB3 ASN 118 1HB ASN 118 2.560 5.534 15.895 856 HD21 ASN 118 1HD2 ASN 118 1.406 7.515 14.098 857 HD22 ASN 118 2HD2 ASN 118 0.808 8.766 15.095 858 H ALA 119 H ALA 119 0.203 2.756 15.207 859 HA ALA 119 HA ALA 119 2.111 1.237 13.634 860 HB1 ALA 119 1HB ALA 119 3.122 1.334 15.886 861 HB2 ALA 119 2HB ALA 119 2.528 -0.291 15.544 862 HB3 ALA 119 3HB ALA 119 1.602 0.781 16.592 863 H GLN 120 H GLN 120 1.115 -0.528 12.799 864 HA GLN 120 HA GLN 120 -1.623 -1.107 13.686 865 HB2 GLN 120 2HB GLN 120 -1.875 0.560 11.940 866 HB3 GLN 120 1HB GLN 120 -0.822 -0.361 10.882 867 HG2 GLN 120 2HG GLN 120 -3.060 -0.758 10.158 868 HG3 GLN 120 1HG GLN 120 -2.474 -2.216 10.943 869 HE21 GLN 120 1HE2 GLN 120 -5.107 -1.489 10.444 870 HE22 GLN 120 2HE2 GLN 120 -5.924 -1.343 11.960 871 H VAL 121 H VAL 121 -2.315 -3.148 13.259 872 HA VAL 121 HA VAL 121 -0.335 -5.002 12.114 873 HB VAL 121 HB VAL 121 -2.916 -5.627 13.627 874 HG11 VAL 121 1HG1 VAL 121 -2.240 -7.405 12.107 875 HG12 VAL 121 2HG1 VAL 121 -2.029 -7.914 13.782 876 HG13 VAL 121 3HG1 VAL 121 -0.631 -7.429 12.827 877 HG21 VAL 121 3HG2 VAL 121 -0.077 -5.715 14.661 878 HG22 VAL 121 1HG2 VAL 121 -1.502 -6.273 15.534 879 HG23 VAL 121 2HG2 VAL 121 -1.322 -4.563 15.142 880 H MET 122 H MET 122 -0.776 -5.641 10.067 881 HA MET 122 HA MET 122 -3.099 -4.373 8.873 882 HB2 MET 122 2HB MET 122 -1.045 -6.030 7.453 883 HB3 MET 122 1HB MET 122 -2.141 -4.852 6.754 884 HG2 MET 122 2HG MET 122 -1.008 -3.119 8.082 885 HG3 MET 122 1HG MET 122 0.191 -4.321 8.562 886 HE1 MET 122 3HE MET 122 -1.671 -3.385 5.182 887 HE2 MET 122 1HE MET 122 -0.388 -2.459 4.402 888 HE3 MET 122 2HE MET 122 -1.096 -1.886 5.914 889 H GLN 123 H GLN 123 -4.652 -5.309 7.748 890 HA GLN 123 HA GLN 123 -5.002 -8.214 7.862 891 HB2 GLN 123 2HB GLN 123 -7.399 -7.811 8.158 892 HB3 GLN 123 1HB GLN 123 -6.515 -7.064 9.483 893 HG2 GLN 123 2HG GLN 123 -6.805 -4.891 8.579 894 HG3 GLN 123 1HG GLN 123 -7.367 -5.541 7.044 895 HE21 GLN 123 1HE2 GLN 123 -9.441 -6.310 6.884 896 HE22 GLN 123 2HE2 GLN 123 -10.662 -5.872 8.044 897 H THR 124 H THR 124 -6.226 -8.942 6.003 898 HA THR 124 HA THR 124 -5.814 -7.347 3.685 899 HB THR 124 HB THR 124 -5.705 -9.745 3.396 900 HG1 THR 124 1HG THR 124 -8.005 -9.789 2.063 901 HG21 THR 124 3HG2 THR 124 -7.607 -11.265 3.778 902 HG22 THR 124 1HG2 THR 124 -8.541 -9.918 4.425 903 HG23 THR 124 2HG2 THR 124 -7.094 -10.472 5.262 904 H GLY 125 H GLY 125 -7.254 -5.947 2.702 905 HA2 GLY 125 2HA GLY 125 -9.419 -5.080 2.283 906 HA3 GLY 125 1HA GLY 125 -9.981 -5.818 3.780 907 H ASP 126 H ASP 126 -7.043 -4.509 4.438 908 HA ASP 126 HA ASP 126 -8.161 -2.372 6.007 909 HB2 ASP 126 2HB ASP 126 -6.080 -3.792 6.584 910 HB3 ASP 126 1HB ASP 126 -5.225 -2.811 5.402 911 H GLU 127 H GLU 127 -8.062 -0.117 5.558 912 HA GLU 127 HA GLU 127 -7.356 0.584 2.821 913 HB2 GLU 127 2HB GLU 127 -9.684 0.683 3.543 914 HB3 GLU 127 1HB GLU 127 -9.217 1.664 4.914 915 HG2 GLU 127 2HG GLU 127 -10.039 3.141 3.564 916 HG3 GLU 127 1HG GLU 127 -8.334 3.265 3.113 917 H ILE 128 H ILE 128 -5.647 2.010 2.764 918 HA ILE 128 HA ILE 128 -4.799 3.335 5.261 919 HB ILE 128 HB ILE 128 -2.993 2.617 2.910 920 HG12 ILE 128 2HG1 ILE 128 -1.885 1.047 4.662 921 HG13 ILE 128 1HG1 ILE 128 -3.407 1.182 5.532 922 HG21 ILE 128 1HG2 ILE 128 -1.150 3.214 4.401 923 HG22 ILE 128 2HG2 ILE 128 -2.314 3.674 5.642 924 HG23 ILE 128 3HG2 ILE 128 -2.246 4.567 4.124 925 HD11 ILE 128 3HD1 ILE 128 -3.045 0.067 2.757 926 HD12 ILE 128 1HD1 ILE 128 -4.576 0.209 3.625 927 HD13 ILE 128 2HD1 ILE 128 -3.312 -0.855 4.237 928 H GLN 129 H GLN 129 -4.805 5.432 5.253 929 HA GLN 129 HA GLN 129 -5.376 6.850 2.735 930 HB2 GLN 129 2HB GLN 129 -6.996 6.984 4.723 931 HB3 GLN 129 1HB GLN 129 -5.658 7.771 5.551 932 HG2 GLN 129 2HG GLN 129 -7.199 9.432 4.845 933 HG3 GLN 129 1HG GLN 129 -5.698 9.588 3.944 934 HE21 GLN 129 1HE2 GLN 129 -6.742 10.733 2.392 935 HE22 GLN 129 2HE2 GLN 129 -7.820 9.998 1.238 936 H ILE 130 H ILE 130 -3.583 7.673 1.931 937 HA ILE 130 HA ILE 130 -1.542 8.830 3.711 938 HB ILE 130 HB ILE 130 -1.197 7.722 0.895 939 HG12 ILE 130 2HG1 ILE 130 -1.418 5.917 2.533 940 HG13 ILE 130 1HG1 ILE 130 0.222 5.983 1.906 941 HG21 ILE 130 1HG2 ILE 130 0.872 8.911 2.735 942 HG22 ILE 130 2HG2 ILE 130 0.260 9.620 1.242 943 HG23 ILE 130 3HG2 ILE 130 1.208 8.133 1.187 944 HD11 ILE 130 3HD1 ILE 130 -0.721 6.979 4.587 945 HD12 ILE 130 1HD1 ILE 130 0.930 7.112 3.978 946 HD13 ILE 130 2HD1 ILE 130 0.223 5.525 4.273 947 H GLY 131 H GLY 131 -1.739 10.965 3.678 948 HA2 GLY 131 2HA GLY 131 -2.176 13.089 2.917 949 HA3 GLY 131 1HA GLY 131 -1.980 12.464 1.277 950 H LYS 132 H LYS 132 -3.751 12.919 0.151 951 HA LYS 132 HA LYS 132 -6.327 12.414 1.458 952 HB2 LYS 132 2HB LYS 132 -7.355 13.921 -0.176 953 HB3 LYS 132 1HB LYS 132 -6.093 14.741 0.727 954 HG2 LYS 132 2HG LYS 132 -4.569 14.435 -1.165 955 HG3 LYS 132 1HG LYS 132 -5.863 13.644 -2.060 956 HD2 LYS 132 2HD LYS 132 -6.000 16.466 -1.007 957 HD3 LYS 132 1HD LYS 132 -5.484 16.053 -2.632 958 HE2 LYS 132 2HE LYS 132 -7.735 16.702 -2.841 959 HE3 LYS 132 1HE LYS 132 -7.766 14.950 -2.923 960 HZ1 LYS 132 3HZ LYS 132 -9.511 16.072 -1.590 961 HZ2 LYS 132 1HZ LYS 132 -8.405 16.491 -0.440 962 HZ3 LYS 132 2HZ LYS 132 -8.817 14.850 -0.752 963 H PHE 133 H PHE 133 -4.358 10.600 -0.011 964 HA PHE 133 HA PHE 133 -6.386 9.532 -1.754 965 HB2 PHE 133 2HB PHE 133 -4.618 8.610 -3.214 966 HB3 PHE 133 1HB PHE 133 -4.668 10.358 -3.203 967 HD1 PHE 133 2HD PHE 133 -2.764 7.376 -2.316 968 HD2 PHE 133 1HD PHE 133 -2.813 11.630 -2.324 969 HE1 PHE 133 2HE PHE 133 -0.342 7.401 -1.935 970 HE2 PHE 133 1HE PHE 133 -0.389 11.660 -1.952 971 HZ PHE 133 HZ PHE 133 0.853 9.554 -1.760 972 H ARG 134 H ARG 134 -5.869 7.022 -2.143 973 HA ARG 134 HA ARG 134 -5.372 5.972 0.537 974 HB2 ARG 134 2HB ARG 134 -7.543 4.839 0.578 975 HB3 ARG 134 1HB ARG 134 -7.708 6.592 0.528 976 HG2 ARG 134 2HG ARG 134 -7.950 6.306 -2.003 977 HG3 ARG 134 1HG ARG 134 -8.178 4.599 -1.630 978 HD2 ARG 134 2HD ARG 134 -9.830 6.842 -0.506 979 HD3 ARG 134 1HD ARG 134 -10.273 5.844 -1.887 980 HE ARG 134 HE ARG 134 -9.813 4.058 0.104 981 HH11 ARG 134 1HH1 ARG 134 -11.743 6.984 -0.101 982 HH12 ARG 134 2HH1 ARG 134 -13.071 6.399 0.784 983 HH21 ARG 134 1HH2 ARG 134 -11.638 3.181 1.295 984 HH22 ARG 134 2HH2 ARG 134 -13.020 4.137 1.621 985 H LEU 135 H LEU 135 -4.947 3.869 0.675 986 HA LEU 135 HA LEU 135 -4.454 2.360 -1.802 987 HB2 LEU 135 2HB LEU 135 -2.897 2.267 0.797 988 HB3 LEU 135 1HB LEU 135 -2.613 1.259 -0.592 989 HG LEU 135 HG LEU 135 -0.890 2.808 -0.524 990 HD11 LEU 135 1HD1 LEU 135 -1.073 4.073 -2.563 991 HD12 LEU 135 2HD1 LEU 135 -2.815 3.804 -2.561 992 HD13 LEU 135 3HD1 LEU 135 -1.711 2.433 -2.719 993 HD21 LEU 135 3HD2 LEU 135 -1.175 5.256 -0.454 994 HD22 LEU 135 1HD2 LEU 135 -1.798 4.457 0.991 995 HD23 LEU 135 2HD2 LEU 135 -2.912 5.026 -0.251 996 H VAL 136 H VAL 136 -5.164 0.284 -1.712 997 HA VAL 136 HA VAL 136 -6.584 -0.494 0.760 998 HB VAL 136 HB VAL 136 -7.099 -1.516 -2.058 999 HG11 VAL 136 1HG1 VAL 136 -7.693 -3.131 -0.341 1000 HG12 VAL 136 2HG1 VAL 136 -9.143 -2.487 -1.113 1001 HG13 VAL 136 3HG1 VAL 136 -8.669 -1.916 0.488 1002 HG21 VAL 136 3HG2 VAL 136 -7.717 0.834 -1.850 1003 HG22 VAL 136 1HG2 VAL 136 -8.711 0.457 -0.448 1004 HG23 VAL 136 2HG2 VAL 136 -9.147 -0.184 -2.036 1005 H PHE 137 H PHE 137 -5.645 -2.091 1.826 1006 HA PHE 137 HA PHE 137 -3.487 -3.570 0.566 1007 HB2 PHE 137 2HB PHE 137 -3.175 -2.528 2.788 1008 HB3 PHE 137 1HB PHE 137 -4.449 -3.556 3.431 1009 HD1 PHE 137 1HD PHE 137 -1.158 -3.719 1.707 1010 HD2 PHE 137 2HD PHE 137 -3.890 -5.588 4.376 1011 HE1 PHE 137 1HE PHE 137 0.540 -5.401 2.265 1012 HE2 PHE 137 2HE PHE 137 -2.198 -7.274 4.935 1013 HZ PHE 137 HZ PHE 137 0.020 -7.178 3.886 1014 H LEU 138 H LEU 138 -3.678 -5.562 -0.057 1015 HA LEU 138 HA LEU 138 -6.031 -7.125 0.672 1016 HB2 LEU 138 2HB LEU 138 -4.901 -6.749 -2.103 1017 HB3 LEU 138 1HB LEU 138 -6.164 -7.876 -1.672 1018 HG LEU 138 HG LEU 138 -6.398 -4.870 -1.489 1019 HD11 LEU 138 1HD1 LEU 138 -7.542 -6.804 -3.495 1020 HD12 LEU 138 2HD1 LEU 138 -6.261 -5.630 -3.798 1021 HD13 LEU 138 3HD1 LEU 138 -7.889 -5.077 -3.409 1022 HD21 LEU 138 3HD2 LEU 138 -8.453 -7.054 -1.123 1023 HD22 LEU 138 1HD2 LEU 138 -8.786 -5.322 -1.144 1024 HD23 LEU 138 2HD2 LEU 138 -7.805 -6.010 0.145 1025 H ALA 139 H ALA 139 -5.695 -9.419 0.211 1026 HA ALA 139 HA ALA 139 -3.078 -10.240 1.011 1027 HB1 ALA 139 1HB ALA 139 -3.972 -12.531 0.733 1028 HB2 ALA 139 2HB ALA 139 -5.418 -11.869 -0.025 1029 HB3 ALA 139 3HB ALA 139 -5.079 -11.528 1.672 1030 H GLY 140 H GLY 140 -1.611 -11.465 -0.290 1031 HA2 GLY 140 2HA GLY 140 -1.386 -10.237 -2.860 1032 HA3 GLY 140 1HA GLY 140 -0.219 -11.281 -2.077 1033 HA PRO 141 HA PRO 141 -1.906 -13.409 -5.765 1034 HB2 PRO 141 2HB PRO 141 0.798 -14.545 -5.817 1035 HB3 PRO 141 1HB PRO 141 -0.094 -13.741 -7.106 1036 HG2 PRO 141 2HG PRO 141 1.985 -12.535 -5.886 1037 HG3 PRO 141 1HG PRO 141 0.566 -11.629 -6.445 1038 HD2 PRO 141 2HD PRO 141 1.283 -12.511 -3.680 1039 HD3 PRO 141 1HD PRO 141 0.558 -10.984 -4.223 1040 H ALA 142 H ALA 142 -2.579 -15.389 -5.889 1041 HA ALA 142 HA ALA 142 -1.941 -17.277 -3.722 1042 HB1 ALA 142 1HB ALA 142 -4.234 -16.410 -3.643 1043 HB2 ALA 142 2HB ALA 142 -4.235 -18.122 -4.053 1044 HB3 ALA 142 3HB ALA 142 -4.487 -16.913 -5.314 1045 H GLU 143 H GLU 143 -0.522 -16.892 -6.128 1046 HA GLU 143 HA GLU 143 -1.248 -18.685 -8.194 1047 HB2 GLU 143 2HB GLU 143 0.239 -16.638 -8.360 1048 HB3 GLU 143 1HB GLU 143 1.488 -17.579 -7.565 1049 HG2 GLU 143 2HG GLU 143 1.813 -17.511 -9.970 1050 HG3 GLU 143 1HG GLU 143 1.506 -19.154 -9.412 Start of MODEL 2 1 H1 MET 1 1HT MET 1 12.341 -17.462 -10.664 2 H2 MET 1 2HT MET 1 12.779 -18.819 -9.762 3 H3 MET 1 3HT MET 1 13.804 -18.194 -10.959 4 HA MET 1 HA MET 1 13.039 -16.689 -8.561 5 HB2 MET 1 2HB MET 1 15.657 -18.095 -9.214 6 HB3 MET 1 1HB MET 1 15.409 -16.997 -7.875 7 HG2 MET 1 2HG MET 1 13.857 -18.545 -6.854 8 HG3 MET 1 1HG MET 1 14.009 -19.630 -8.236 9 HE1 MET 1 2HE MET 1 14.487 -20.506 -5.156 10 HE2 MET 1 3HE MET 1 15.886 -21.554 -5.370 11 HE3 MET 1 1HE MET 1 14.565 -21.606 -6.536 12 H SER 2 H SER 2 14.931 -14.973 -8.351 13 HA SER 2 HA SER 2 16.171 -14.099 -10.726 14 HB2 SER 2 2HB SER 2 13.780 -13.409 -11.188 15 HB3 SER 2 1HB SER 2 13.820 -12.446 -9.717 16 HG SER 2 HG SER 2 14.981 -11.991 -12.188 17 H ASP 3 H ASP 3 17.112 -11.842 -10.194 18 HA ASP 3 HA ASP 3 18.275 -11.996 -7.572 19 HB2 ASP 3 2HB ASP 3 18.579 -9.953 -9.788 20 HB3 ASP 3 1HB ASP 3 19.362 -9.775 -8.227 21 H ASN 4 H ASN 4 17.296 -11.331 -5.859 22 HA ASN 4 HA ASN 4 15.122 -9.432 -6.083 23 HB2 ASN 4 2HB ASN 4 14.744 -9.932 -3.651 24 HB3 ASN 4 1HB ASN 4 14.623 -11.337 -4.699 25 HD21 ASN 4 1HD2 ASN 4 16.079 -12.969 -4.488 26 HD22 ASN 4 2HD2 ASN 4 17.261 -13.062 -3.238 27 H ASN 5 H ASN 5 14.993 -7.544 -4.760 28 HA ASN 5 HA ASN 5 17.659 -6.470 -4.277 29 HB2 ASN 5 2HB ASN 5 16.772 -4.236 -4.703 30 HB3 ASN 5 1HB ASN 5 16.435 -5.269 -6.074 31 HD21 ASN 5 1HD2 ASN 5 15.213 -2.771 -5.089 32 HD22 ASN 5 2HD2 ASN 5 13.525 -3.094 -4.965 33 H GLY 6 H GLY 6 17.634 -4.723 -2.603 34 HA2 GLY 6 2HA GLY 6 16.071 -5.710 -0.339 35 HA3 GLY 6 1HA GLY 6 17.580 -4.805 -0.223 36 H THR 7 H THR 7 16.360 -3.418 1.211 37 HA THR 7 HA THR 7 14.198 -1.917 0.140 38 HB THR 7 HB THR 7 15.818 -1.495 2.662 39 HG1 THR 7 1HG THR 7 13.368 -2.897 2.393 40 HG21 THR 7 3HG2 THR 7 12.984 -0.708 1.939 41 HG22 THR 7 1HG2 THR 7 14.354 0.394 2.068 42 HG23 THR 7 2HG2 THR 7 13.758 -0.440 3.503 43 HA PRO 8 HA PRO 8 16.906 1.189 -1.800 44 HB2 PRO 8 2HB PRO 8 14.954 3.145 -1.961 45 HB3 PRO 8 1HB PRO 8 15.207 1.875 -3.164 46 HG2 PRO 8 2HG PRO 8 13.239 1.998 -0.924 47 HG3 PRO 8 1HG PRO 8 13.013 1.411 -2.582 48 HD2 PRO 8 2HD PRO 8 13.327 -0.264 -0.537 49 HD3 PRO 8 1HD PRO 8 14.034 -0.625 -2.129 50 H GLU 9 H GLU 9 17.795 3.234 -1.212 51 HA GLU 9 HA GLU 9 17.973 3.476 1.628 52 HB2 GLU 9 2HB GLU 9 19.274 5.076 -0.571 53 HB3 GLU 9 1HB GLU 9 19.682 5.156 1.134 54 HG2 GLU 9 2HG GLU 9 19.976 2.750 -0.639 55 HG3 GLU 9 1HG GLU 9 21.282 3.797 -0.077 56 HA PRO 10 HA PRO 10 14.646 6.467 1.929 57 HB2 PRO 10 2HB PRO 10 16.031 6.948 4.517 58 HB3 PRO 10 1HB PRO 10 14.320 6.646 4.198 59 HG2 PRO 10 2HG PRO 10 15.857 4.741 5.222 60 HG3 PRO 10 1HG PRO 10 14.629 4.357 4.007 61 HD2 PRO 10 2HD PRO 10 17.596 4.573 3.678 62 HD3 PRO 10 1HD PRO 10 16.429 3.466 2.924 63 H GLN 11 H GLN 11 14.495 8.494 1.568 64 HA GLN 11 HA GLN 11 16.857 10.189 1.239 65 HB2 GLN 11 2HB GLN 11 15.282 11.616 -0.023 66 HB3 GLN 11 1HB GLN 11 15.227 9.962 -0.626 67 HG2 GLN 11 2HG GLN 11 13.255 9.669 1.014 68 HG3 GLN 11 1HG GLN 11 13.252 11.420 1.053 69 HE21 GLN 11 1HE2 GLN 11 11.362 9.453 0.163 70 HE22 GLN 11 2HE2 GLN 11 10.933 9.845 -1.449 71 H VAL 12 H VAL 12 16.663 12.441 2.185 72 HA VAL 12 HA VAL 12 14.863 12.428 4.496 73 HB VAL 12 HB VAL 12 17.576 13.777 4.394 74 HG11 VAL 12 1HG1 VAL 12 15.990 14.918 5.840 75 HG12 VAL 12 2HG1 VAL 12 17.219 14.102 6.808 76 HG13 VAL 12 3HG1 VAL 12 15.612 13.401 6.651 77 HG21 VAL 12 3HG2 VAL 12 16.750 11.265 5.855 78 HG22 VAL 12 1HG2 VAL 12 18.318 12.062 5.980 79 HG23 VAL 12 2HG2 VAL 12 17.818 11.337 4.452 80 H GLU 13 H GLU 13 13.429 13.989 4.539 81 HA GLU 13 HA GLU 13 13.926 16.583 3.381 82 HB2 GLU 13 2HB GLU 13 12.953 14.948 1.619 83 HB3 GLU 13 1HB GLU 13 11.489 14.980 2.589 84 HG2 GLU 13 2HG GLU 13 11.214 16.499 0.799 85 HG3 GLU 13 1HG GLU 13 11.435 17.456 2.264 86 H THR 14 H THR 14 12.736 18.044 4.596 87 HA THR 14 HA THR 14 11.295 16.914 6.867 88 HB THR 14 HB THR 14 12.176 19.772 6.372 89 HG1 THR 14 1HG THR 14 13.953 18.376 6.603 90 HG21 THR 14 3HG2 THR 14 11.774 20.063 8.780 91 HG22 THR 14 1HG2 THR 14 11.216 18.393 8.900 92 HG23 THR 14 2HG2 THR 14 10.296 19.560 7.960 93 H TPO 15 H TPO 15 9.144 16.995 7.028 94 HA TPO 15 HA TPO 15 7.612 18.642 5.103 95 HB TPO 15 HB TPO 15 6.419 16.489 6.870 96 HG21 TPO 15 1HG2 TPO 15 4.728 16.378 5.119 97 HG22 TPO 15 2HG2 TPO 15 5.606 17.583 4.179 98 HG23 TPO 15 3HG2 TPO 15 4.882 18.030 5.725 99 H SER 16 H SER 16 6.309 20.231 5.923 100 HA SER 16 HA SER 16 6.321 20.666 8.776 101 HB2 SER 16 2HB SER 16 6.621 22.535 7.076 102 HB3 SER 16 1HB SER 16 4.975 22.235 6.537 103 HG SER 16 HG SER 16 5.859 23.098 9.062 104 H VAL 17 H VAL 17 4.184 20.776 9.897 105 HA VAL 17 HA VAL 17 2.572 18.556 8.991 106 HB VAL 17 HB VAL 17 2.157 20.288 11.439 107 HG11 VAL 17 1HG1 VAL 17 0.902 18.349 12.293 108 HG12 VAL 17 2HG1 VAL 17 1.141 17.533 10.748 109 HG13 VAL 17 3HG1 VAL 17 0.187 19.014 10.824 110 HG21 VAL 17 3HG2 VAL 17 3.309 18.537 12.700 111 HG22 VAL 17 1HG2 VAL 17 4.369 19.263 11.489 112 HG23 VAL 17 2HG2 VAL 17 3.642 17.683 11.194 113 H PHE 18 H PHE 18 0.956 18.792 7.726 114 HA PHE 18 HA PHE 18 -0.440 21.369 7.653 115 HB2 PHE 18 2HB PHE 18 -0.758 21.090 5.254 116 HB3 PHE 18 1HB PHE 18 0.948 21.076 5.646 117 HD1 PHE 18 1HD PHE 18 2.152 18.813 5.663 118 HD2 PHE 18 2HD PHE 18 -1.763 19.339 4.099 119 HE1 PHE 18 1HE PHE 18 2.386 16.732 4.389 120 HE2 PHE 18 2HE PHE 18 -1.537 17.245 2.822 121 HZ PHE 18 HZ PHE 18 0.541 15.943 2.967 122 H ARG 19 H ARG 19 -2.602 21.323 7.672 123 HA ARG 19 HA ARG 19 -3.840 18.687 7.479 124 HB2 ARG 19 2HB ARG 19 -4.987 21.121 8.892 125 HB3 ARG 19 1HB ARG 19 -5.708 19.522 8.817 126 HG2 ARG 19 2HG ARG 19 -3.271 20.395 10.346 127 HG3 ARG 19 1HG ARG 19 -4.778 19.730 10.979 128 HD2 ARG 19 2HD ARG 19 -2.673 18.281 9.367 129 HD3 ARG 19 1HD ARG 19 -3.023 18.066 11.073 130 HE ARG 19 HE ARG 19 -5.269 17.277 10.280 131 HH11 ARG 19 1HH1 ARG 19 -2.437 17.004 8.150 132 HH12 ARG 19 2HH1 ARG 19 -2.825 15.493 7.515 133 HH21 ARG 19 1HH2 ARG 19 -5.872 15.097 9.354 134 HH22 ARG 19 2HH2 ARG 19 -4.839 14.407 8.217 135 H ALA 20 H ALA 20 -4.113 18.642 5.403 136 HA ALA 20 HA ALA 20 -4.901 20.924 3.865 137 HB1 ALA 20 1HB ALA 20 -4.819 19.390 1.981 138 HB2 ALA 20 2HB ALA 20 -4.618 18.033 3.081 139 HB3 ALA 20 3HB ALA 20 -3.363 19.265 2.962 140 H ASP 21 H ASP 21 -6.532 20.191 2.059 141 HA ASP 21 HA ASP 21 -9.159 20.308 3.041 142 HB2 ASP 21 2HB ASP 21 -9.770 20.073 0.673 143 HB3 ASP 21 1HB ASP 21 -8.445 21.214 0.885 144 H LEU 22 H LEU 22 -7.174 17.755 3.081 145 HA LEU 22 HA LEU 22 -8.636 15.552 2.123 146 HB2 LEU 22 2HB LEU 22 -7.033 14.210 3.389 147 HB3 LEU 22 1HB LEU 22 -6.241 15.473 2.477 148 HG LEU 22 HG LEU 22 -6.267 16.763 4.766 149 HD11 LEU 22 1HD1 LEU 22 -6.495 13.929 5.739 150 HD12 LEU 22 2HD1 LEU 22 -7.659 15.224 5.994 151 HD13 LEU 22 3HD1 LEU 22 -6.055 15.327 6.722 152 HD21 LEU 22 3HD2 LEU 22 -4.416 14.437 4.297 153 HD22 LEU 22 1HD2 LEU 22 -4.098 15.811 5.350 154 HD23 LEU 22 2HD2 LEU 22 -4.238 16.046 3.606 155 H LEU 23 H LEU 23 -9.027 17.504 4.879 156 HA LEU 23 HA LEU 23 -10.129 15.698 6.731 157 HB2 LEU 23 2HB LEU 23 -10.549 18.660 6.410 158 HB3 LEU 23 1HB LEU 23 -10.973 17.720 7.824 159 HG LEU 23 HG LEU 23 -8.162 18.159 6.809 160 HD11 LEU 23 1HD1 LEU 23 -9.147 20.212 7.659 161 HD12 LEU 23 2HD1 LEU 23 -7.915 19.608 8.762 162 HD13 LEU 23 3HD1 LEU 23 -9.622 19.386 9.142 163 HD21 LEU 23 3HD2 LEU 23 -9.174 16.892 9.356 164 HD22 LEU 23 1HD2 LEU 23 -7.485 17.204 8.960 165 HD23 LEU 23 2HD2 LEU 23 -8.406 16.041 8.012 166 H LYS 24 H LYS 24 -11.355 16.779 3.800 167 HA LYS 24 HA LYS 24 -14.124 16.723 4.646 168 HB2 LYS 24 2HB LYS 24 -13.362 18.407 3.002 169 HB3 LYS 24 1HB LYS 24 -12.967 17.114 1.882 170 HG2 LYS 24 2HG LYS 24 -15.287 16.491 1.713 171 HG3 LYS 24 1HG LYS 24 -15.726 17.665 2.952 172 HD2 LYS 24 2HD LYS 24 -14.968 19.478 1.498 173 HD3 LYS 24 1HD LYS 24 -14.532 18.300 0.258 174 HE2 LYS 24 2HE LYS 24 -16.706 19.328 -0.203 175 HE3 LYS 24 1HE LYS 24 -16.854 17.599 0.086 176 HZ1 LYS 24 3HZ LYS 24 -17.445 19.740 2.066 177 HZ2 LYS 24 1HZ LYS 24 -17.619 18.087 2.358 178 HZ3 LYS 24 2HZ LYS 24 -18.585 18.849 1.221 179 H GLU 25 H GLU 25 -11.797 14.546 3.336 180 HA GLU 25 HA GLU 25 -13.443 12.824 1.849 181 HB2 GLU 25 2HB GLU 25 -10.846 12.330 3.292 182 HB3 GLU 25 1HB GLU 25 -11.637 11.095 2.324 183 HG2 GLU 25 2HG GLU 25 -10.762 13.783 1.269 184 HG3 GLU 25 1HG GLU 25 -9.804 12.311 1.161 185 H MET 26 H MET 26 -13.097 13.147 5.261 186 HA MET 26 HA MET 26 -13.988 10.616 6.013 187 HB2 MET 26 2HB MET 26 -14.544 11.536 8.212 188 HB3 MET 26 1HB MET 26 -12.954 12.042 7.679 189 HG2 MET 26 2HG MET 26 -13.887 14.244 7.090 190 HG3 MET 26 1HG MET 26 -15.466 13.706 7.656 191 HE1 MET 26 3HE MET 26 -14.408 16.212 10.472 192 HE2 MET 26 1HE MET 26 -15.615 15.805 9.254 193 HE3 MET 26 2HE MET 26 -14.015 16.370 8.762 194 H GLU 27 H GLU 27 -15.913 13.364 4.851 195 HA GLU 27 HA GLU 27 -18.300 12.188 5.910 196 HB2 GLU 27 2HB GLU 27 -19.543 13.934 4.783 197 HB3 GLU 27 1HB GLU 27 -18.179 14.626 5.631 198 HG2 GLU 27 2HG GLU 27 -16.978 14.851 3.516 199 HG3 GLU 27 1HG GLU 27 -18.345 14.126 2.666 200 H SER 28 H SER 28 -16.508 11.940 3.010 201 HA SER 28 HA SER 28 -18.555 10.559 1.561 202 HB2 SER 28 2HB SER 28 -15.565 10.741 1.101 203 HB3 SER 28 1HB SER 28 -16.756 10.155 -0.069 204 HG SER 28 HG SER 28 -16.007 12.686 0.432 205 H SER 29 H SER 29 -16.059 9.839 3.799 206 HA SER 29 HA SER 29 -15.994 7.016 3.331 207 HB2 SER 29 2HB SER 29 -14.951 8.608 5.686 208 HB3 SER 29 1HB SER 29 -14.555 6.931 5.312 209 HG SER 29 HG SER 29 -13.945 9.241 3.773 210 H THR 30 H THR 30 -17.857 9.180 5.345 211 HA THR 30 HA THR 30 -18.977 7.098 6.918 212 HB THR 30 HB THR 30 -19.988 9.921 6.395 213 HG1 THR 30 1HG THR 30 -18.655 10.495 7.968 214 HG21 THR 30 3HG2 THR 30 -20.687 7.955 8.598 215 HG22 THR 30 1HG2 THR 30 -21.759 8.412 7.273 216 HG23 THR 30 2HG2 THR 30 -21.278 9.613 8.471 217 H GLY 31 H GLY 31 -20.139 5.599 6.100 218 HA2 GLY 31 2HA GLY 31 -22.232 5.000 4.993 219 HA3 GLY 31 1HA GLY 31 -21.788 6.147 3.726 220 H THR 32 H THR 32 -18.946 4.961 4.633 221 HA THR 32 HA THR 32 -19.006 2.794 2.653 222 HB THR 32 HB THR 32 -16.638 4.483 3.503 223 HG1 THR 32 1HG THR 32 -18.481 5.518 2.305 224 HG21 THR 32 3HG2 THR 32 -17.048 2.638 1.134 225 HG22 THR 32 1HG2 THR 32 -16.086 2.265 2.562 226 HG23 THR 32 2HG2 THR 32 -15.589 3.561 1.480 227 H ALA 33 H ALA 33 -18.721 0.828 3.605 228 HA ALA 33 HA ALA 33 -17.193 0.715 6.104 229 HB1 ALA 33 1HB ALA 33 -19.330 -1.164 5.065 230 HB2 ALA 33 2HB ALA 33 -19.538 0.008 6.359 231 HB3 ALA 33 3HB ALA 33 -18.446 -1.360 6.579 232 HA PRO 34 HA PRO 34 -14.227 -1.226 3.274 233 HB2 PRO 34 2HB PRO 34 -12.961 -1.961 5.867 234 HB3 PRO 34 1HB PRO 34 -12.244 -1.165 4.462 235 HG2 PRO 34 2HG PRO 34 -12.796 0.223 6.659 236 HG3 PRO 34 1HG PRO 34 -13.071 0.922 5.054 237 HD2 PRO 34 2HD PRO 34 -15.052 -0.209 6.994 238 HD3 PRO 34 1HD PRO 34 -15.186 1.203 5.921 239 H ALA 35 H ALA 35 -14.010 -3.319 2.597 240 HA ALA 35 HA ALA 35 -15.519 -5.332 4.073 241 HB1 ALA 35 1HB ALA 35 -15.504 -6.584 1.973 242 HB2 ALA 35 2HB ALA 35 -14.478 -5.351 1.241 243 HB3 ALA 35 3HB ALA 35 -16.122 -4.950 1.731 244 H SER 36 H SER 36 -14.533 -6.887 5.138 245 HA SER 36 HA SER 36 -11.840 -7.677 4.385 246 HB2 SER 36 2HB SER 36 -11.695 -5.998 6.254 247 HB3 SER 36 1HB SER 36 -12.739 -7.029 7.224 248 HG SER 36 HG SER 36 -10.169 -7.599 6.228 249 H THR 37 H THR 37 -12.869 -9.522 3.497 250 HA THR 37 HA THR 37 -14.404 -11.150 5.372 251 HB THR 37 HB THR 37 -14.137 -11.492 2.374 252 HG1 THR 37 1HG THR 37 -15.763 -9.878 4.001 253 HG21 THR 37 3HG2 THR 37 -16.226 -12.779 2.616 254 HG22 THR 37 1HG2 THR 37 -16.213 -12.482 4.355 255 HG23 THR 37 2HG2 THR 37 -14.955 -13.475 3.624 256 H GLY 38 H GLY 38 -11.570 -11.188 3.353 257 HA2 GLY 38 2HA GLY 38 -10.887 -13.850 4.428 258 HA3 GLY 38 1HA GLY 38 -10.384 -13.286 2.842 259 H ALA 39 H ALA 39 -10.213 -12.204 6.207 260 HA ALA 39 HA ALA 39 -7.624 -10.993 5.682 261 HB1 ALA 39 1HB ALA 39 -7.840 -10.143 7.964 262 HB2 ALA 39 2HB ALA 39 -9.358 -11.021 8.143 263 HB3 ALA 39 3HB ALA 39 -9.228 -9.714 6.961 264 H GLU 40 H GLU 40 -8.994 -13.764 7.211 265 HA GLU 40 HA GLU 40 -6.582 -14.343 8.754 266 HB2 GLU 40 2HB GLU 40 -7.858 -16.198 9.664 267 HB3 GLU 40 1HB GLU 40 -8.772 -14.700 9.781 268 HG2 GLU 40 2HG GLU 40 -10.215 -15.317 8.020 269 HG3 GLU 40 1HG GLU 40 -9.155 -16.626 7.509 270 H ASN 41 H ASN 41 -7.461 -14.893 5.607 271 HA ASN 41 HA ASN 41 -7.056 -17.747 5.594 272 HB2 ASN 41 2HB ASN 41 -7.577 -15.842 3.325 273 HB3 ASN 41 1HB ASN 41 -7.433 -17.590 3.146 274 HD21 ASN 41 1HD2 ASN 41 -9.066 -18.891 3.931 275 HD22 ASN 41 2HD2 ASN 41 -10.624 -18.271 4.340 276 H LEU 42 H LEU 42 -5.329 -14.957 4.295 277 HA LEU 42 HA LEU 42 -3.233 -14.715 3.416 278 HB2 LEU 42 2HB LEU 42 -2.663 -16.580 5.708 279 HB3 LEU 42 1HB LEU 42 -1.441 -15.612 4.900 280 HG LEU 42 HG LEU 42 -3.761 -14.565 6.542 281 HD11 LEU 42 1HD1 LEU 42 -2.035 -13.904 8.138 282 HD12 LEU 42 2HD1 LEU 42 -0.809 -14.687 7.143 283 HD13 LEU 42 3HD1 LEU 42 -2.070 -15.651 7.908 284 HD21 LEU 42 3HD2 LEU 42 -2.647 -12.387 6.333 285 HD22 LEU 42 1HD2 LEU 42 -3.159 -13.009 4.765 286 HD23 LEU 42 2HD2 LEU 42 -1.462 -13.100 5.240 287 HA PRO 43 HA PRO 43 -3.733 -18.880 1.133 288 HB2 PRO 43 2HB PRO 43 -3.175 -17.657 -1.335 289 HB3 PRO 43 1HB PRO 43 -4.766 -18.117 -0.730 290 HG2 PRO 43 2HG PRO 43 -3.419 -15.479 -0.723 291 HG3 PRO 43 1HG PRO 43 -5.143 -15.861 -0.847 292 HD2 PRO 43 2HD PRO 43 -4.059 -14.869 1.405 293 HD3 PRO 43 1HD PRO 43 -5.390 -16.045 1.450 294 H ALA 44 H ALA 44 -1.485 -16.653 -0.447 295 HA ALA 44 HA ALA 44 0.500 -18.774 -0.269 296 HB1 ALA 44 1HB ALA 44 0.470 -16.237 -1.897 297 HB2 ALA 44 2HB ALA 44 0.075 -17.856 -2.481 298 HB3 ALA 44 3HB ALA 44 1.720 -17.473 -1.963 299 H GLY 45 H GLY 45 -0.401 -16.550 1.745 300 HA2 GLY 45 2HA GLY 45 0.600 -15.474 3.530 301 HA3 GLY 45 1HA GLY 45 2.104 -16.266 3.075 302 H SER 46 H SER 46 0.583 -14.476 0.634 303 HA SER 46 HA SER 46 2.563 -12.361 0.850 304 HB2 SER 46 2HB SER 46 2.010 -12.350 -1.683 305 HB3 SER 46 1HB SER 46 3.077 -13.598 -1.028 306 HG SER 46 HG SER 46 0.697 -13.961 -2.275 307 H ALA 47 H ALA 47 1.904 -10.309 0.130 308 HA ALA 47 HA ALA 47 -0.936 -9.815 -0.133 309 HB1 ALA 47 1HB ALA 47 -0.883 -8.076 1.575 310 HB2 ALA 47 2HB ALA 47 0.792 -8.481 1.948 311 HB3 ALA 47 3HB ALA 47 -0.488 -9.651 2.265 312 H LEU 48 H LEU 48 -1.365 -7.752 -0.962 313 HA LEU 48 HA LEU 48 0.914 -6.231 -1.841 314 HB2 LEU 48 2HB LEU 48 0.073 -5.941 -4.126 315 HB3 LEU 48 1HB LEU 48 0.412 -7.613 -3.801 316 HG LEU 48 HG LEU 48 -2.122 -7.940 -3.552 317 HD11 LEU 48 1HD1 LEU 48 -3.551 -6.306 -4.672 318 HD12 LEU 48 2HD1 LEU 48 -2.178 -5.205 -4.815 319 HD13 LEU 48 3HD1 LEU 48 -2.796 -5.642 -3.226 320 HD21 LEU 48 3HD2 LEU 48 -2.461 -8.045 -5.955 321 HD22 LEU 48 1HD2 LEU 48 -0.859 -8.640 -5.521 322 HD23 LEU 48 2HD2 LEU 48 -1.043 -7.029 -6.210 323 H LEU 49 H LEU 49 0.304 -4.072 -2.495 324 HA LEU 49 HA LEU 49 -2.220 -3.291 -1.282 325 HB2 LEU 49 2HB LEU 49 -1.264 -1.161 -0.561 326 HB3 LEU 49 1HB LEU 49 -0.440 -2.499 0.194 327 HG LEU 49 HG LEU 49 0.718 -1.023 -2.181 328 HD11 LEU 49 1HD1 LEU 49 1.139 -0.524 0.763 329 HD12 LEU 49 2HD1 LEU 49 0.334 0.565 -0.368 330 HD13 LEU 49 3HD1 LEU 49 2.055 0.216 -0.549 331 HD21 LEU 49 3HD2 LEU 49 2.829 -1.924 -1.318 332 HD22 LEU 49 1HD2 LEU 49 1.698 -3.218 -1.708 333 HD23 LEU 49 2HD2 LEU 49 1.950 -2.752 -0.032 334 H VAL 50 H VAL 50 -3.478 -2.083 -2.452 335 HA VAL 50 HA VAL 50 -2.407 -1.260 -5.033 336 HB VAL 50 HB VAL 50 -4.025 -3.095 -5.305 337 HG11 VAL 50 1HG1 VAL 50 -6.394 -2.839 -4.750 338 HG12 VAL 50 2HG1 VAL 50 -6.032 -1.309 -3.952 339 HG13 VAL 50 3HG1 VAL 50 -5.366 -2.814 -3.318 340 HG21 VAL 50 3HG2 VAL 50 -3.915 -1.427 -7.078 341 HG22 VAL 50 1HG2 VAL 50 -5.138 -0.457 -6.258 342 HG23 VAL 50 2HG2 VAL 50 -5.561 -2.038 -6.910 343 H VAL 51 H VAL 51 -2.559 0.772 -5.550 344 HA VAL 51 HA VAL 51 -3.648 2.633 -3.598 345 HB VAL 51 HB VAL 51 -2.471 3.220 -6.332 346 HG11 VAL 51 1HG1 VAL 51 -3.681 5.078 -5.278 347 HG12 VAL 51 2HG1 VAL 51 -1.955 5.408 -5.384 348 HG13 VAL 51 3HG1 VAL 51 -2.663 4.927 -3.844 349 HG21 VAL 51 3HG2 VAL 51 -1.007 2.961 -3.704 350 HG22 VAL 51 1HG2 VAL 51 -0.306 3.560 -5.205 351 HG23 VAL 51 2HG2 VAL 51 -0.861 1.891 -5.094 352 H LYS 52 H LYS 52 -5.637 3.226 -3.618 353 HA LYS 52 HA LYS 52 -7.299 2.341 -5.833 354 HB2 LYS 52 2HB LYS 52 -7.701 1.769 -3.403 355 HB3 LYS 52 1HB LYS 52 -8.141 3.452 -3.162 356 HG2 LYS 52 2HG LYS 52 -10.118 2.124 -3.405 357 HG3 LYS 52 1HG LYS 52 -9.949 3.168 -4.817 358 HD2 LYS 52 2HD LYS 52 -9.065 1.331 -6.123 359 HD3 LYS 52 1HD LYS 52 -9.081 0.277 -4.704 360 HE2 LYS 52 2HE LYS 52 -11.490 1.537 -5.995 361 HE3 LYS 52 1HE LYS 52 -10.970 -0.135 -6.208 362 HZ1 LYS 52 3HZ LYS 52 -11.813 1.097 -3.634 363 HZ2 LYS 52 1HZ LYS 52 -11.307 -0.490 -3.831 364 HZ3 LYS 52 2HZ LYS 52 -12.726 0.032 -4.548 365 H ARG 53 H ARG 53 -6.214 5.178 -4.167 366 HA ARG 53 HA ARG 53 -7.448 6.807 -6.248 367 HB2 ARG 53 2HB ARG 53 -8.836 6.656 -4.006 368 HB3 ARG 53 1HB ARG 53 -7.596 7.742 -3.402 369 HG2 ARG 53 2HG ARG 53 -9.283 9.170 -4.089 370 HG3 ARG 53 1HG ARG 53 -8.146 9.201 -5.432 371 HD2 ARG 53 2HD ARG 53 -10.744 7.658 -5.276 372 HD3 ARG 53 1HD ARG 53 -10.392 9.041 -6.296 373 HE ARG 53 HE ARG 53 -9.074 6.408 -6.639 374 HH11 ARG 53 1HH1 ARG 53 -10.879 9.122 -8.024 375 HH12 ARG 53 2HH1 ARG 53 -10.593 8.674 -9.626 376 HH21 ARG 53 1HH2 ARG 53 -8.697 5.761 -8.874 377 HH22 ARG 53 2HH2 ARG 53 -9.287 6.723 -10.124 378 H GLY 54 H GLY 54 -6.242 8.694 -6.647 379 HA2 GLY 54 2HA GLY 54 -4.529 10.186 -5.557 380 HA3 GLY 54 1HA GLY 54 -3.618 8.692 -5.341 381 HA PRO 55 HA PRO 55 -2.689 10.606 -9.549 382 HB2 PRO 55 2HB PRO 55 0.089 10.527 -8.531 383 HB3 PRO 55 1HB PRO 55 -0.761 11.841 -9.348 384 HG2 PRO 55 2HG PRO 55 -0.212 12.017 -6.744 385 HG3 PRO 55 1HG PRO 55 -1.755 12.597 -7.391 386 HD2 PRO 55 2HD PRO 55 -1.162 10.016 -5.982 387 HD3 PRO 55 1HD PRO 55 -2.515 11.147 -5.738 388 H ASN 56 H ASN 56 -0.928 8.319 -7.541 389 HA ASN 56 HA ASN 56 -0.201 6.706 -9.846 390 HB2 ASN 56 2HB ASN 56 1.230 5.492 -8.174 391 HB3 ASN 56 1HB ASN 56 1.604 7.201 -8.332 392 HD21 ASN 56 1HD2 ASN 56 0.552 4.725 -6.273 393 HD22 ASN 56 2HD2 ASN 56 0.452 5.655 -4.821 394 H ALA 57 H ALA 57 -2.950 6.909 -8.742 395 HA ALA 57 HA ALA 57 -3.674 4.505 -7.414 396 HB1 ALA 57 1HB ALA 57 -5.389 6.354 -9.052 397 HB2 ALA 57 2HB ALA 57 -5.059 6.515 -7.330 398 HB3 ALA 57 3HB ALA 57 -5.960 5.121 -7.929 399 H GLY 58 H GLY 58 -4.568 2.666 -8.184 400 HA2 GLY 58 2HA GLY 58 -5.493 1.326 -9.916 401 HA3 GLY 58 1HA GLY 58 -4.600 2.288 -11.092 402 H ALA 59 H ALA 59 -2.282 2.219 -9.189 403 HA ALA 59 HA ALA 59 -1.133 -0.176 -10.324 404 HB1 ALA 59 1HB ALA 59 0.120 1.931 -10.396 405 HB2 ALA 59 2HB ALA 59 0.990 0.688 -9.499 406 HB3 ALA 59 3HB ALA 59 0.140 1.970 -8.633 407 H ARG 60 H ARG 60 -0.393 -1.926 -9.198 408 HA ARG 60 HA ARG 60 -0.857 -1.868 -6.345 409 HB2 ARG 60 2HB ARG 60 -1.377 -4.328 -6.433 410 HB3 ARG 60 1HB ARG 60 -2.602 -3.288 -7.119 411 HG2 ARG 60 2HG ARG 60 -2.462 -5.245 -8.467 412 HG3 ARG 60 1HG ARG 60 -1.743 -3.943 -9.394 413 HD2 ARG 60 2HD ARG 60 0.461 -4.770 -8.980 414 HD3 ARG 60 1HD ARG 60 -0.121 -5.904 -7.766 415 HE ARG 60 HE ARG 60 -1.374 -6.387 -10.232 416 HH11 ARG 60 1HH1 ARG 60 1.900 -6.647 -8.929 417 HH12 ARG 60 2HH1 ARG 60 2.236 -8.158 -9.626 418 HH21 ARG 60 1HH2 ARG 60 -0.925 -8.435 -11.256 419 HH22 ARG 60 2HH2 ARG 60 0.546 -9.246 -11.005 420 H PHE 61 H PHE 61 0.623 -2.731 -5.031 421 HA PHE 61 HA PHE 61 3.138 -3.518 -6.352 422 HB2 PHE 61 2HB PHE 61 2.777 -1.887 -3.835 423 HB3 PHE 61 1HB PHE 61 4.322 -2.400 -4.495 424 HD1 PHE 61 2HD PHE 61 5.214 -1.347 -6.513 425 HD2 PHE 61 1HD PHE 61 1.548 -0.050 -4.782 426 HE1 PHE 61 2HE PHE 61 5.329 0.727 -7.827 427 HE2 PHE 61 1HE PHE 61 1.659 2.029 -6.094 428 HZ PHE 61 HZ PHE 61 3.548 2.418 -7.619 429 H LEU 62 H LEU 62 4.077 -5.328 -5.571 430 HA LEU 62 HA LEU 62 2.646 -6.698 -3.423 431 HB2 LEU 62 2HB LEU 62 3.588 -8.799 -4.144 432 HB3 LEU 62 1HB LEU 62 2.872 -8.003 -5.518 433 HG LEU 62 HG LEU 62 5.861 -8.053 -4.998 434 HD11 LEU 62 1HD1 LEU 62 4.194 -9.887 -6.712 435 HD12 LEU 62 2HD1 LEU 62 5.049 -10.331 -5.235 436 HD13 LEU 62 3HD1 LEU 62 5.954 -9.844 -6.667 437 HD21 LEU 62 3HD2 LEU 62 5.970 -7.623 -7.454 438 HD22 LEU 62 1HD2 LEU 62 5.230 -6.297 -6.562 439 HD23 LEU 62 2HD2 LEU 62 4.221 -7.425 -7.460 440 H LEU 63 H LEU 63 3.659 -7.564 -1.635 441 HA LEU 63 HA LEU 63 6.221 -6.283 -0.994 442 HB2 LEU 63 2HB LEU 63 4.175 -7.512 0.862 443 HB3 LEU 63 1HB LEU 63 5.595 -6.590 1.316 444 HG LEU 63 HG LEU 63 3.177 -5.491 -0.107 445 HD11 LEU 63 1HD1 LEU 63 4.168 -5.140 2.711 446 HD12 LEU 63 2HD1 LEU 63 2.739 -6.045 2.214 447 HD13 LEU 63 3HD1 LEU 63 2.802 -4.294 1.985 448 HD21 LEU 63 3HD2 LEU 63 4.245 -3.311 0.292 449 HD22 LEU 63 1HD2 LEU 63 5.208 -4.333 -0.780 450 HD23 LEU 63 2HD2 LEU 63 5.667 -4.147 0.911 451 H ASP 64 H ASP 64 7.910 -7.639 -1.260 452 HA ASP 64 HA ASP 64 7.561 -10.404 -0.334 453 HB2 ASP 64 2HB ASP 64 8.903 -11.300 -2.139 454 HB3 ASP 64 1HB ASP 64 7.592 -10.362 -2.829 455 H GLN 65 H GLN 65 9.127 -7.610 0.187 456 HA GLN 65 HA GLN 65 11.552 -8.939 1.089 457 HB2 GLN 65 2HB GLN 65 12.653 -6.755 1.133 458 HB3 GLN 65 1HB GLN 65 12.072 -7.094 -0.464 459 HG2 GLN 65 2HG GLN 65 10.666 -5.274 1.485 460 HG3 GLN 65 1HG GLN 65 11.879 -4.722 0.354 461 HE21 GLN 65 1HE2 GLN 65 10.590 -3.345 -0.740 462 HE22 GLN 65 2HE2 GLN 65 9.227 -3.822 -1.672 463 HA PRO 66 HA PRO 66 10.346 -8.720 5.250 464 HB2 PRO 66 2HB PRO 66 12.770 -7.823 6.351 465 HB3 PRO 66 1HB PRO 66 12.270 -9.499 6.122 466 HG2 PRO 66 2HG PRO 66 14.058 -7.813 4.458 467 HG3 PRO 66 1HG PRO 66 14.094 -9.557 4.732 468 HD2 PRO 66 2HD PRO 66 13.211 -8.506 2.424 469 HD3 PRO 66 1HD PRO 66 12.513 -9.984 3.118 470 H THR 67 H THR 67 11.800 -5.834 3.836 471 HA THR 67 HA THR 67 10.073 -4.299 5.587 472 HB THR 67 HB THR 67 13.028 -3.658 5.317 473 HG1 THR 67 1HG THR 67 11.561 -5.175 7.040 474 HG21 THR 67 3HG2 THR 67 10.858 -2.344 6.981 475 HG22 THR 67 1HG2 THR 67 11.587 -1.650 5.531 476 HG23 THR 67 2HG2 THR 67 12.565 -1.898 6.975 477 H THR 68 H THR 68 8.954 -2.957 4.417 478 HA THR 68 HA THR 68 9.968 -2.109 1.800 479 HB THR 68 HB THR 68 7.142 -2.483 2.751 480 HG1 THR 68 1HG THR 68 8.996 -4.273 1.971 481 HG21 THR 68 3HG2 THR 68 7.434 -0.925 0.882 482 HG22 THR 68 1HG2 THR 68 6.582 -2.382 0.369 483 HG23 THR 68 2HG2 THR 68 8.288 -2.183 -0.015 484 H THR 69 H THR 69 10.155 0.098 1.585 485 HA THR 69 HA THR 69 9.031 1.824 3.648 486 HB THR 69 HB THR 69 11.085 2.360 1.483 487 HG1 THR 69 1HG THR 69 12.028 1.014 2.814 488 HG21 THR 69 3HG2 THR 69 10.369 3.941 3.960 489 HG22 THR 69 1HG2 THR 69 9.953 4.401 2.306 490 HG23 THR 69 2HG2 THR 69 11.643 4.348 2.810 491 H ALA 70 H ALA 70 7.423 3.280 3.107 492 HA ALA 70 HA ALA 70 6.736 3.545 0.265 493 HB1 ALA 70 1HB ALA 70 4.417 3.928 0.998 494 HB2 ALA 70 2HB ALA 70 4.911 3.667 2.671 495 HB3 ALA 70 3HB ALA 70 5.002 2.344 1.506 496 H GLY 71 H GLY 71 6.614 5.596 -0.520 497 HA2 GLY 71 2HA GLY 71 6.086 7.877 0.946 498 HA3 GLY 71 1HA GLY 71 7.836 7.675 0.845 499 H ARG 72 H ARG 72 7.662 9.682 -0.423 500 HA ARG 72 HA ARG 72 6.553 9.296 -3.074 501 HB2 ARG 72 2HB ARG 72 6.106 11.413 -1.859 502 HB3 ARG 72 1HB ARG 72 7.832 11.754 -1.854 503 HG2 ARG 72 2HG ARG 72 7.840 11.860 -4.272 504 HG3 ARG 72 1HG ARG 72 6.130 11.438 -4.319 505 HD2 ARG 72 2HD ARG 72 5.629 13.491 -3.067 506 HD3 ARG 72 1HD ARG 72 7.344 13.910 -3.113 507 HE ARG 72 HE ARG 72 6.584 13.407 -5.697 508 HH11 ARG 72 1HH1 ARG 72 5.577 15.738 -3.197 509 HH12 ARG 72 2HH1 ARG 72 5.272 16.983 -4.305 510 HH21 ARG 72 1HH2 ARG 72 6.130 15.159 -7.212 511 HH22 ARG 72 2HH2 ARG 72 5.626 16.664 -6.615 512 H HIS 73 H HIS 73 7.797 9.474 -4.939 513 HA HIS 73 HA HIS 73 9.593 9.405 -6.334 514 HB2 HIS 73 2HB HIS 73 11.400 9.788 -3.903 515 HB3 HIS 73 1HB HIS 73 11.918 9.865 -5.578 516 HD1 HIS 73 1HD HIS 73 11.707 12.095 -3.041 517 HD2 HIS 73 2HD HIS 73 9.867 12.029 -6.764 518 HE1 HIS 73 1HE HIS 73 11.071 14.484 -3.556 519 HA PRO 74 HA PRO 74 10.698 5.103 -6.206 520 HB2 PRO 74 2HB PRO 74 13.240 5.569 -7.599 521 HB3 PRO 74 1HB PRO 74 11.796 4.736 -8.173 522 HG2 PRO 74 2HG PRO 74 12.522 7.120 -9.159 523 HG3 PRO 74 1HG PRO 74 10.816 6.686 -8.947 524 HD2 PRO 74 2HD PRO 74 12.569 8.378 -7.196 525 HD3 PRO 74 1HD PRO 74 10.904 8.677 -7.750 526 H GLU 75 H GLU 75 12.189 7.155 -4.292 527 HA GLU 75 HA GLU 75 14.475 5.569 -3.484 528 HB2 GLU 75 2HB GLU 75 13.249 8.032 -2.217 529 HB3 GLU 75 1HB GLU 75 14.729 7.257 -1.672 530 HG2 GLU 75 2HG GLU 75 14.263 8.592 -4.329 531 HG3 GLU 75 1HG GLU 75 15.283 9.170 -3.011 532 H SER 76 H SER 76 11.240 5.442 -3.063 533 HA SER 76 HA SER 76 11.517 3.810 -0.668 534 HB2 SER 76 2HB SER 76 9.094 5.289 -1.730 535 HB3 SER 76 1HB SER 76 9.136 4.294 -0.268 536 HG SER 76 HG SER 76 11.111 6.142 -0.339 537 H ASP 77 H ASP 77 10.498 1.763 -0.769 538 HA ASP 77 HA ASP 77 10.612 0.314 -3.130 539 HB2 ASP 77 2HB ASP 77 8.859 -0.261 -0.743 540 HB3 ASP 77 1HB ASP 77 9.424 -1.430 -1.926 541 H ILE 78 H ILE 78 7.899 1.751 -1.442 542 HA ILE 78 HA ILE 78 6.130 1.168 -3.712 543 HB ILE 78 HB ILE 78 5.368 2.369 -1.031 544 HG12 ILE 78 2HG1 ILE 78 6.296 0.156 -0.617 545 HG13 ILE 78 1HG1 ILE 78 4.551 0.121 -0.389 546 HG21 ILE 78 1HG2 ILE 78 3.681 1.046 -3.158 547 HG22 ILE 78 2HG2 ILE 78 3.780 2.773 -2.842 548 HG23 ILE 78 3HG2 ILE 78 3.088 1.699 -1.628 549 HD11 ILE 78 3HD1 ILE 78 6.077 -0.903 -2.776 550 HD12 ILE 78 1HD1 ILE 78 4.321 -0.886 -2.617 551 HD13 ILE 78 2HD1 ILE 78 5.292 -1.870 -1.523 552 H PHE 79 H PHE 79 5.729 2.769 -5.108 553 HA PHE 79 HA PHE 79 6.723 5.418 -4.522 554 HB2 PHE 79 2HB PHE 79 7.346 4.546 -6.681 555 HB3 PHE 79 1HB PHE 79 5.667 4.177 -7.068 556 HD1 PHE 79 2HD PHE 79 7.970 6.996 -6.349 557 HD2 PHE 79 1HD PHE 79 4.333 5.750 -8.156 558 HE1 PHE 79 2HE PHE 79 7.702 9.223 -7.345 559 HE2 PHE 79 1HE PHE 79 4.056 7.975 -9.159 560 HZ PHE 79 HZ PHE 79 5.744 9.720 -8.754 561 H LEU 80 H LEU 80 5.513 6.949 -3.794 562 HA LEU 80 HA LEU 80 2.664 7.096 -4.509 563 HB2 LEU 80 2HB LEU 80 4.018 7.930 -1.925 564 HB3 LEU 80 1HB LEU 80 2.391 8.368 -2.366 565 HG LEU 80 HG LEU 80 1.817 5.899 -2.272 566 HD11 LEU 80 1HD1 LEU 80 4.489 5.711 -0.900 567 HD12 LEU 80 2HD1 LEU 80 4.084 5.006 -2.459 568 HD13 LEU 80 3HD1 LEU 80 3.269 4.441 -0.997 569 HD21 LEU 80 3HD2 LEU 80 2.812 7.230 0.227 570 HD22 LEU 80 1HD2 LEU 80 1.683 5.880 0.151 571 HD23 LEU 80 2HD2 LEU 80 1.230 7.451 -0.516 572 H ASP 81 H ASP 81 2.020 9.091 -5.206 573 HA ASP 81 HA ASP 81 4.161 11.102 -5.280 574 HB2 ASP 81 2HB ASP 81 3.262 10.424 -7.542 575 HB3 ASP 81 1HB ASP 81 1.686 11.035 -7.047 576 H ASP 82 H ASP 82 3.901 12.723 -3.994 577 HA ASP 82 HA ASP 82 1.428 12.775 -2.392 578 HB2 ASP 82 2HB ASP 82 3.689 12.102 -1.384 579 HB3 ASP 82 1HB ASP 82 4.184 13.759 -1.630 580 H VAL 83 H VAL 83 1.216 15.000 -1.309 581 HA VAL 83 HA VAL 83 1.036 17.062 -3.364 582 HB VAL 83 HB VAL 83 0.262 17.153 -0.420 583 HG11 VAL 83 1HG1 VAL 83 -0.588 18.932 -2.692 584 HG12 VAL 83 2HG1 VAL 83 0.498 19.364 -1.371 585 HG13 VAL 83 3HG1 VAL 83 -1.199 19.017 -1.039 586 HG21 VAL 83 3HG2 VAL 83 -2.049 16.727 -1.138 587 HG22 VAL 83 1HG2 VAL 83 -0.982 15.380 -1.529 588 HG23 VAL 83 2HG2 VAL 83 -1.490 16.501 -2.793 589 H THR 84 H THR 84 2.909 16.058 -0.695 590 HA THR 84 HA THR 84 4.657 18.416 -0.862 591 HB THR 84 HB THR 84 4.337 16.677 1.597 592 HG1 THR 84 1HG THR 84 2.280 17.383 1.000 593 HG21 THR 84 3HG2 THR 84 5.027 19.577 1.131 594 HG22 THR 84 1HG2 THR 84 6.143 18.301 1.603 595 HG23 THR 84 2HG2 THR 84 4.880 18.837 2.718 596 H VAL 85 H VAL 85 6.946 17.348 0.294 597 HA VAL 85 HA VAL 85 7.238 14.844 -1.137 598 HB VAL 85 HB VAL 85 9.394 16.723 -0.120 599 HG11 VAL 85 1HG1 VAL 85 9.660 14.144 -1.685 600 HG12 VAL 85 2HG1 VAL 85 10.139 14.380 -0.007 601 HG13 VAL 85 3HG1 VAL 85 10.982 15.245 -1.297 602 HG21 VAL 85 3HG2 VAL 85 8.242 17.574 -2.087 603 HG22 VAL 85 1HG2 VAL 85 8.499 16.043 -2.924 604 HG23 VAL 85 2HG2 VAL 85 9.875 17.067 -2.513 605 H SER 86 H SER 86 6.509 13.287 0.176 606 HA SER 86 HA SER 86 7.331 13.197 2.889 607 HB2 SER 86 2HB SER 86 6.070 10.889 2.542 608 HB3 SER 86 1HB SER 86 5.168 12.405 2.646 609 HG SER 86 HG SER 86 4.400 11.801 0.805 610 H ARG 87 H ARG 87 9.330 12.674 3.300 611 HA ARG 87 HA ARG 87 11.062 11.335 1.513 612 HB2 ARG 87 2HB ARG 87 12.810 11.570 3.091 613 HB3 ARG 87 1HB ARG 87 11.795 12.965 3.332 614 HG2 ARG 87 2HG ARG 87 11.973 10.529 5.132 615 HG3 ARG 87 1HG ARG 87 12.698 12.100 5.440 616 HD2 ARG 87 2HD ARG 87 10.264 12.970 5.348 617 HD3 ARG 87 1HD ARG 87 9.817 11.279 5.529 618 HE ARG 87 HE ARG 87 11.576 12.610 7.466 619 HH11 ARG 87 1HH1 ARG 87 8.625 10.669 6.882 620 HH12 ARG 87 2HH1 ARG 87 8.142 10.689 8.500 621 HH21 ARG 87 1HH2 ARG 87 10.895 12.601 9.687 622 HH22 ARG 87 2HH2 ARG 87 9.485 11.788 10.171 623 H ARG 88 H ARG 88 9.123 10.276 4.059 624 HA ARG 88 HA ARG 88 9.040 7.604 3.271 625 HB2 ARG 88 2HB ARG 88 11.194 7.430 4.463 626 HB3 ARG 88 1HB ARG 88 10.523 8.283 5.843 627 HG2 ARG 88 2HG ARG 88 9.040 6.437 6.313 628 HG3 ARG 88 1HG ARG 88 9.585 5.588 4.870 629 HD2 ARG 88 2HD ARG 88 10.637 4.740 6.966 630 HD3 ARG 88 1HD ARG 88 11.799 5.346 5.787 631 HE ARG 88 HE ARG 88 11.828 7.423 7.126 632 HH11 ARG 88 1HH1 ARG 88 10.840 4.398 8.831 633 HH12 ARG 88 2HH1 ARG 88 11.558 4.874 10.269 634 HH21 ARG 88 1HH2 ARG 88 12.762 8.005 9.157 635 HH22 ARG 88 2HH2 ARG 88 12.619 6.974 10.503 636 H HIS 89 H HIS 89 6.977 7.260 3.654 637 HA HIS 89 HA HIS 89 5.675 8.911 5.670 638 HB2 HIS 89 2HB HIS 89 4.677 9.138 3.480 639 HB3 HIS 89 1HB HIS 89 4.592 7.391 3.284 640 HD2 HIS 89 2HD HIS 89 2.716 10.229 5.345 641 HE1 HIS 89 1HE HIS 89 0.457 6.685 5.319 642 HE2 HIS 89 2HE HIS 89 0.809 8.935 6.369 643 H ALA 90 H ALA 90 5.764 5.546 4.511 644 HA ALA 90 HA ALA 90 5.292 4.730 7.255 645 HB1 ALA 90 1HB ALA 90 3.061 4.862 6.245 646 HB2 ALA 90 2HB ALA 90 3.508 3.195 6.607 647 HB3 ALA 90 3HB ALA 90 3.586 3.788 4.948 648 H GLU 91 H GLU 91 5.800 2.574 7.608 649 HA GLU 91 HA GLU 91 7.314 1.314 5.458 650 HB2 GLU 91 2HB GLU 91 8.890 0.420 7.163 651 HB3 GLU 91 1HB GLU 91 8.955 2.163 6.989 652 HG2 GLU 91 2HG GLU 91 7.569 2.377 9.020 653 HG3 GLU 91 1HG GLU 91 7.619 0.622 9.199 654 H PHE 92 H PHE 92 6.888 -0.693 5.074 655 HA PHE 92 HA PHE 92 4.867 -2.035 6.726 656 HB2 PHE 92 2HB PHE 92 5.657 -2.524 3.820 657 HB3 PHE 92 1HB PHE 92 4.448 -3.417 4.705 658 HD1 PHE 92 1HD PHE 92 5.192 0.177 3.890 659 HD2 PHE 92 2HD PHE 92 2.278 -2.911 4.201 660 HE1 PHE 92 1HE PHE 92 3.469 1.723 3.067 661 HE2 PHE 92 2HE PHE 92 0.550 -1.360 3.387 662 HZ PHE 92 HZ PHE 92 1.145 0.957 2.820 663 H ARG 93 H ARG 93 5.790 -3.441 8.015 664 HA ARG 93 HA ARG 93 8.325 -4.690 7.194 665 HB2 ARG 93 2HB ARG 93 7.034 -4.708 9.918 666 HB3 ARG 93 1HB ARG 93 8.662 -5.197 9.511 667 HG2 ARG 93 2HG ARG 93 9.298 -2.932 9.044 668 HG3 ARG 93 1HG ARG 93 7.632 -2.386 9.257 669 HD2 ARG 93 2HD ARG 93 7.712 -3.198 11.586 670 HD3 ARG 93 1HD ARG 93 9.407 -3.616 11.349 671 HE ARG 93 HE ARG 93 9.438 -1.040 10.706 672 HH11 ARG 93 1HH1 ARG 93 7.636 -2.547 13.407 673 HH12 ARG 93 2HH1 ARG 93 7.982 -1.272 14.467 674 HH21 ARG 93 1HH2 ARG 93 9.815 0.658 12.107 675 HH22 ARG 93 2HH2 ARG 93 9.255 0.626 13.731 676 H ILE 94 H ILE 94 8.362 -6.824 6.811 677 HA ILE 94 HA ILE 94 5.887 -8.338 7.281 678 HB ILE 94 HB ILE 94 8.268 -9.053 5.521 679 HG12 ILE 94 2HG1 ILE 94 5.548 -8.004 4.710 680 HG13 ILE 94 1HG1 ILE 94 7.075 -7.138 4.569 681 HG21 ILE 94 1HG2 ILE 94 7.097 -11.018 6.345 682 HG22 ILE 94 2HG2 ILE 94 6.837 -10.805 4.613 683 HG23 ILE 94 3HG2 ILE 94 5.560 -10.372 5.751 684 HD11 ILE 94 3HD1 ILE 94 6.361 -8.031 2.419 685 HD12 ILE 94 1HD1 ILE 94 6.315 -9.656 3.096 686 HD13 ILE 94 2HD1 ILE 94 7.852 -8.802 2.945 687 H ASN 95 H ASN 95 6.023 -9.456 9.101 688 HA ASN 95 HA ASN 95 8.597 -10.646 9.844 689 HB2 ASN 95 2HB ASN 95 8.311 -8.585 11.158 690 HB3 ASN 95 1HB ASN 95 6.749 -9.167 11.727 691 HD21 ASN 95 1HD2 ASN 95 7.344 -9.156 13.870 692 HD22 ASN 95 2HD2 ASN 95 8.476 -10.278 14.541 693 H GLU 96 H GLU 96 8.318 -12.717 9.989 694 HA GLU 96 HA GLU 96 7.448 -14.783 10.226 695 HB2 GLU 96 2HB GLU 96 5.874 -13.488 12.458 696 HB3 GLU 96 1HB GLU 96 6.223 -15.201 12.293 697 HG2 GLU 96 2HG GLU 96 8.188 -12.984 12.842 698 HG3 GLU 96 1HG GLU 96 7.684 -14.271 13.936 699 H GLY 97 H GLY 97 6.153 -13.254 8.258 700 HA2 GLY 97 2HA GLY 97 4.445 -13.822 6.771 701 HA3 GLY 97 1HA GLY 97 3.706 -14.791 8.033 702 H GLU 98 H GLU 98 4.188 -11.994 9.588 703 HA GLU 98 HA GLU 98 1.532 -11.017 8.898 704 HB2 GLU 98 2HB GLU 98 3.266 -10.465 11.302 705 HB3 GLU 98 1HB GLU 98 1.593 -9.970 11.088 706 HG2 GLU 98 2HG GLU 98 0.910 -12.299 11.011 707 HG3 GLU 98 1HG GLU 98 2.576 -12.794 11.214 708 H PHE 99 H PHE 99 1.228 -8.782 8.616 709 HA PHE 99 HA PHE 99 3.661 -7.381 7.751 710 HB2 PHE 99 2HB PHE 99 0.816 -7.056 6.730 711 HB3 PHE 99 1HB PHE 99 2.234 -6.221 6.123 712 HD1 PHE 99 2HD PHE 99 0.572 -9.524 6.359 713 HD2 PHE 99 1HD PHE 99 3.628 -7.227 4.494 714 HE1 PHE 99 2HE PHE 99 0.898 -11.316 4.710 715 HE2 PHE 99 1HE PHE 99 3.956 -9.019 2.834 716 HZ PHE 99 HZ PHE 99 2.594 -11.064 2.943 717 H GLU 100 H GLU 100 4.089 -5.752 9.136 718 HA GLU 100 HA GLU 100 1.841 -4.403 10.450 719 HB2 GLU 100 2HB GLU 100 3.428 -3.716 12.243 720 HB3 GLU 100 1HB GLU 100 3.249 -5.459 12.132 721 HG2 GLU 100 2HG GLU 100 5.384 -5.632 10.995 722 HG3 GLU 100 1HG GLU 100 5.516 -3.872 10.969 723 H VAL 101 H VAL 101 1.513 -2.343 9.970 724 HA VAL 101 HA VAL 101 3.571 -1.039 8.352 725 HB VAL 101 HB VAL 101 0.635 -0.356 8.621 726 HG11 VAL 101 1HG1 VAL 101 1.003 1.035 6.631 727 HG12 VAL 101 2HG1 VAL 101 2.717 0.626 6.667 728 HG13 VAL 101 3HG1 VAL 101 2.005 1.559 7.986 729 HG21 VAL 101 3HG2 VAL 101 0.932 -2.531 7.586 730 HG22 VAL 101 1HG2 VAL 101 2.078 -1.844 6.439 731 HG23 VAL 101 2HG2 VAL 101 0.385 -1.348 6.399 732 H VAL 102 H VAL 102 4.649 0.502 9.249 733 HA VAL 102 HA VAL 102 3.490 1.870 11.578 734 HB VAL 102 HB VAL 102 6.436 1.450 10.954 735 HG11 VAL 102 1HG1 VAL 102 6.057 3.579 12.095 736 HG12 VAL 102 2HG1 VAL 102 6.863 2.430 13.162 737 HG13 VAL 102 3HG1 VAL 102 5.139 2.751 13.356 738 HG21 VAL 102 3HG2 VAL 102 4.704 0.251 13.115 739 HG22 VAL 102 1HG2 VAL 102 6.441 0.012 12.936 740 HG23 VAL 102 2HG2 VAL 102 5.332 -0.595 11.704 741 H ASP 103 H ASP 103 3.005 3.858 11.288 742 HA ASP 103 HA ASP 103 3.817 5.311 8.939 743 HB2 ASP 103 2HB ASP 103 1.521 5.535 9.369 744 HB3 ASP 103 1HB ASP 103 1.774 5.767 11.093 745 H VAL 104 H VAL 104 5.206 6.845 8.875 746 HA VAL 104 HA VAL 104 6.067 8.176 11.320 747 HB VAL 104 HB VAL 104 8.390 8.334 10.403 748 HG11 VAL 104 1HG1 VAL 104 7.410 5.508 10.753 749 HG12 VAL 104 2HG1 VAL 104 7.904 6.608 12.039 750 HG13 VAL 104 3HG1 VAL 104 9.090 6.032 10.869 751 HG21 VAL 104 3HG2 VAL 104 7.902 8.035 8.037 752 HG22 VAL 104 1HG2 VAL 104 7.402 6.369 8.337 753 HG23 VAL 104 2HG2 VAL 104 9.085 6.846 8.582 754 H GLY 105 H GLY 105 4.250 8.557 8.829 755 HA2 GLY 105 2HA GLY 105 5.325 11.145 7.975 756 HA3 GLY 105 1HA GLY 105 4.260 10.119 7.014 757 H SER 106 H SER 106 3.973 10.615 10.418 758 HA SER 106 HA SER 106 1.253 11.155 10.470 759 HB2 SER 106 2HB SER 106 3.230 12.032 12.554 760 HB3 SER 106 1HB SER 106 1.587 11.422 12.783 761 HG SER 106 HG SER 106 2.454 9.407 11.751 762 H LEU 107 H LEU 107 3.788 13.161 9.578 763 HA LEU 107 HA LEU 107 2.892 15.734 10.433 764 HB2 LEU 107 2HB LEU 107 4.692 15.056 8.084 765 HB3 LEU 107 1HB LEU 107 4.522 16.622 8.827 766 HG LEU 107 HG LEU 107 6.601 15.858 9.513 767 HD11 LEU 107 1HD1 LEU 107 5.500 16.822 11.340 768 HD12 LEU 107 2HD1 LEU 107 6.483 15.477 11.921 769 HD13 LEU 107 3HD1 LEU 107 4.740 15.290 11.766 770 HD21 LEU 107 3HD2 LEU 107 6.402 13.496 8.855 771 HD22 LEU 107 1HD2 LEU 107 5.460 13.170 10.310 772 HD23 LEU 107 2HD2 LEU 107 7.138 13.678 10.446 773 H ASN 108 H ASN 108 2.224 13.576 7.812 774 HA ASN 108 HA ASN 108 0.825 15.570 6.239 775 HB2 ASN 108 2HB ASN 108 1.276 12.598 5.761 776 HB3 ASN 108 1HB ASN 108 0.444 13.660 4.643 777 HD21 ASN 108 1HD2 ASN 108 1.932 13.314 2.940 778 HD22 ASN 108 2HD2 ASN 108 3.506 13.922 2.984 779 H GLY 109 H GLY 109 0.257 13.285 8.654 780 HA2 GLY 109 2HA GLY 109 -1.684 13.047 9.925 781 HA3 GLY 109 1HA GLY 109 -2.564 13.952 8.706 782 H THR 110 H THR 110 -0.782 10.867 8.874 783 HA THR 110 HA THR 110 -2.262 9.430 7.056 784 HB THR 110 HB THR 110 -0.863 8.434 9.514 785 HG1 THR 110 1HG THR 110 1.045 8.752 8.367 786 HG21 THR 110 3HG2 THR 110 -1.155 7.324 6.707 787 HG22 THR 110 1HG2 THR 110 -1.996 6.726 8.138 788 HG23 THR 110 2HG2 THR 110 -0.242 6.571 8.016 789 H TYR 111 H TYR 111 -4.196 8.318 7.213 790 HA TYR 111 HA TYR 111 -5.270 7.786 9.893 791 HB2 TYR 111 2HB TYR 111 -6.879 8.489 7.406 792 HB3 TYR 111 1HB TYR 111 -7.563 7.951 8.925 793 HD1 TYR 111 2HD TYR 111 -7.584 9.466 10.874 794 HD2 TYR 111 1HD TYR 111 -6.124 10.743 7.095 795 HE1 TYR 111 2HE TYR 111 -7.746 11.814 11.611 796 HE2 TYR 111 1HE TYR 111 -6.284 13.082 7.813 797 HH TYR 111 HH TYR 111 -6.945 13.963 11.107 798 H VAL 112 H VAL 112 -5.583 5.669 10.213 799 HA VAL 112 HA VAL 112 -5.556 3.937 7.851 800 HB VAL 112 HB VAL 112 -4.920 3.196 10.736 801 HG11 VAL 112 1HG1 VAL 112 -5.804 1.320 9.462 802 HG12 VAL 112 2HG1 VAL 112 -4.083 1.085 9.781 803 HG13 VAL 112 3HG1 VAL 112 -4.620 1.608 8.188 804 HG21 VAL 112 3HG2 VAL 112 -2.571 3.009 10.013 805 HG22 VAL 112 1HG2 VAL 112 -3.178 4.655 9.837 806 HG23 VAL 112 2HG2 VAL 112 -3.022 3.616 8.421 807 H ASN 113 H ASN 113 -7.443 3.145 7.367 808 HA ASN 113 HA ASN 113 -9.670 2.823 7.366 809 HB2 ASN 113 2HB ASN 113 -8.703 0.810 8.576 810 HB3 ASN 113 1HB ASN 113 -9.198 1.567 10.081 811 HD21 ASN 113 1HD2 ASN 113 -9.948 -0.897 8.763 812 HD22 ASN 113 2HD2 ASN 113 -11.676 -0.903 8.645 813 H ARG 114 H ARG 114 -9.231 5.273 7.903 814 HA ARG 114 HA ARG 114 -10.323 7.215 8.440 815 HB2 ARG 114 2HB ARG 114 -12.265 5.388 9.835 816 HB3 ARG 114 1HB ARG 114 -12.425 7.126 9.762 817 HG2 ARG 114 2HG ARG 114 -12.706 7.022 7.353 818 HG3 ARG 114 1HG ARG 114 -12.460 5.271 7.393 819 HD2 ARG 114 2HD ARG 114 -14.886 6.035 7.351 820 HD3 ARG 114 1HD ARG 114 -14.445 4.906 8.634 821 HE ARG 114 HE ARG 114 -14.167 6.993 10.033 822 HH11 ARG 114 1HH1 ARG 114 -16.715 6.655 7.592 823 HH12 ARG 114 2HH1 ARG 114 -17.680 7.895 8.281 824 HH21 ARG 114 1HH2 ARG 114 -15.572 8.562 10.999 825 HH22 ARG 114 2HH2 ARG 114 -17.062 8.930 10.284 826 H GLU 115 H GLU 115 -8.549 5.496 10.620 827 HA GLU 115 HA GLU 115 -9.104 7.512 12.645 828 HB2 GLU 115 2HB GLU 115 -8.426 4.606 13.136 829 HB3 GLU 115 1HB GLU 115 -8.588 5.835 14.379 830 HG2 GLU 115 2HG GLU 115 -10.954 6.168 13.641 831 HG3 GLU 115 1HG GLU 115 -10.751 4.799 12.559 832 HA PRO 116 HA PRO 116 -4.752 8.476 12.304 833 HB2 PRO 116 2HB PRO 116 -4.945 9.202 15.168 834 HB3 PRO 116 1HB PRO 116 -4.464 10.210 13.804 835 HG2 PRO 116 2HG PRO 116 -6.831 10.516 15.058 836 HG3 PRO 116 1HG PRO 116 -6.620 10.830 13.328 837 HD2 PRO 116 2HD PRO 116 -7.924 8.508 14.687 838 HD3 PRO 116 1HD PRO 116 -8.289 9.288 13.133 839 H ARG 117 H ARG 117 -3.202 6.971 12.491 840 HA ARG 117 HA ARG 117 -2.944 5.411 14.899 841 HB2 ARG 117 2HB ARG 117 -4.654 4.223 13.550 842 HB3 ARG 117 1HB ARG 117 -3.534 4.165 12.205 843 HG2 ARG 117 2HG ARG 117 -3.659 2.025 13.322 844 HG3 ARG 117 1HG ARG 117 -2.051 2.724 13.501 845 HD2 ARG 117 2HD ARG 117 -2.880 1.691 15.583 846 HD3 ARG 117 1HD ARG 117 -2.557 3.409 15.750 847 HE ARG 117 HE ARG 117 -4.927 3.808 15.666 848 HH11 ARG 117 1HH1 ARG 117 -4.036 0.405 16.160 849 HH12 ARG 117 2HH1 ARG 117 -5.440 0.034 17.032 850 HH21 ARG 117 1HH2 ARG 117 -6.858 3.262 16.830 851 HH22 ARG 117 2HH2 ARG 117 -7.098 1.665 17.393 852 H ASN 118 H ASN 118 -0.827 4.854 15.148 853 HA ASN 118 HA ASN 118 0.951 5.734 13.033 854 HB2 ASN 118 2HB ASN 118 1.634 4.920 15.868 855 HB3 ASN 118 1HB ASN 118 2.765 5.578 14.690 856 HD21 ASN 118 1HD2 ASN 118 2.559 7.815 14.088 857 HD22 ASN 118 2HD2 ASN 118 1.674 8.914 15.073 858 H ALA 119 H ALA 119 0.559 2.824 15.104 859 HA ALA 119 HA ALA 119 1.822 1.356 12.898 860 HB1 ALA 119 1HB ALA 119 1.976 0.762 15.855 861 HB2 ALA 119 2HB ALA 119 3.280 1.425 14.870 862 HB3 ALA 119 3HB ALA 119 2.691 -0.211 14.570 863 H GLN 120 H GLN 120 0.744 -0.398 12.179 864 HA GLN 120 HA GLN 120 -1.522 -1.448 13.692 865 HB2 GLN 120 2HB GLN 120 -2.036 0.632 12.034 866 HB3 GLN 120 1HB GLN 120 -2.093 -0.669 10.867 867 HG2 GLN 120 2HG GLN 120 -3.833 -0.391 13.322 868 HG3 GLN 120 1HG GLN 120 -4.320 -0.098 11.659 869 HE21 GLN 120 1HE2 GLN 120 -4.628 -1.915 10.279 870 HE22 GLN 120 2HE2 GLN 120 -4.825 -3.481 10.960 871 H VAL 121 H VAL 121 -1.892 -3.584 13.110 872 HA VAL 121 HA VAL 121 -0.096 -4.741 11.098 873 HB VAL 121 HB VAL 121 -1.840 -6.185 13.143 874 HG11 VAL 121 1HG1 VAL 121 0.376 -7.214 11.364 875 HG12 VAL 121 2HG1 VAL 121 -1.346 -7.545 11.183 876 HG13 VAL 121 3HG1 VAL 121 -0.470 -8.160 12.586 877 HG21 VAL 121 3HG2 VAL 121 0.239 -6.645 14.383 878 HG22 VAL 121 1HG2 VAL 121 -0.106 -4.918 14.294 879 HG23 VAL 121 2HG2 VAL 121 1.127 -5.624 13.250 880 H MET 122 H MET 122 -0.993 -5.114 9.170 881 HA MET 122 HA MET 122 -3.788 -4.397 9.120 882 HB2 MET 122 2HB MET 122 -1.814 -4.400 6.869 883 HB3 MET 122 1HB MET 122 -3.502 -3.920 6.747 884 HG2 MET 122 2HG MET 122 -3.059 -2.205 8.506 885 HG3 MET 122 1HG MET 122 -1.351 -2.607 8.388 886 HE1 MET 122 3HE MET 122 -3.885 -0.695 5.085 887 HE2 MET 122 1HE MET 122 -4.418 -0.994 6.742 888 HE3 MET 122 2HE MET 122 -4.127 -2.350 5.649 889 H GLN 123 H GLN 123 -5.314 -5.291 8.007 890 HA GLN 123 HA GLN 123 -5.047 -8.159 7.521 891 HB2 GLN 123 2HB GLN 123 -7.426 -6.519 8.386 892 HB3 GLN 123 1HB GLN 123 -7.465 -8.239 8.064 893 HG2 GLN 123 2HG GLN 123 -5.851 -8.556 9.937 894 HG3 GLN 123 1HG GLN 123 -5.983 -6.830 10.275 895 HE21 GLN 123 1HE2 GLN 123 -6.872 -7.135 12.307 896 HE22 GLN 123 2HE2 GLN 123 -8.477 -7.724 12.523 897 H THR 124 H THR 124 -6.382 -8.973 5.743 898 HA THR 124 HA THR 124 -6.271 -7.567 3.386 899 HB THR 124 HB THR 124 -8.263 -9.700 4.159 900 HG1 THR 124 1HG THR 124 -6.663 -11.158 3.699 901 HG21 THR 124 3HG2 THR 124 -6.936 -9.088 1.522 902 HG22 THR 124 1HG2 THR 124 -8.606 -8.673 1.926 903 HG23 THR 124 2HG2 THR 124 -8.117 -10.365 1.819 904 H GLY 125 H GLY 125 -7.445 -5.759 2.806 905 HA2 GLY 125 2HA GLY 125 -9.556 -4.831 2.207 906 HA3 GLY 125 1HA GLY 125 -10.285 -5.715 3.538 907 H ASP 126 H ASP 126 -7.456 -4.478 4.697 908 HA ASP 126 HA ASP 126 -8.891 -2.275 5.937 909 HB2 ASP 126 2HB ASP 126 -7.389 -3.935 7.228 910 HB3 ASP 126 1HB ASP 126 -6.031 -3.087 6.497 911 H GLU 127 H GLU 127 -8.220 -0.089 5.770 912 HA GLU 127 HA GLU 127 -6.684 0.379 3.295 913 HB2 GLU 127 2HB GLU 127 -9.244 1.739 4.104 914 HB3 GLU 127 1HB GLU 127 -8.294 2.103 2.674 915 HG2 GLU 127 2HG GLU 127 -8.702 -0.151 1.823 916 HG3 GLU 127 1HG GLU 127 -9.659 -0.512 3.260 917 H ILE 128 H ILE 128 -5.532 2.251 3.124 918 HA ILE 128 HA ILE 128 -5.179 3.863 5.590 919 HB ILE 128 HB ILE 128 -3.079 3.445 3.436 920 HG12 ILE 128 2HG1 ILE 128 -3.259 2.022 6.105 921 HG13 ILE 128 1HG1 ILE 128 -3.587 1.286 4.542 922 HG21 ILE 128 1HG2 ILE 128 -2.852 5.463 4.805 923 HG22 ILE 128 2HG2 ILE 128 -1.557 4.321 5.168 924 HG23 ILE 128 3HG2 ILE 128 -2.923 4.487 6.271 925 HD11 ILE 128 3HD1 ILE 128 -1.273 1.670 3.869 926 HD12 ILE 128 1HD1 ILE 128 -1.365 0.709 5.346 927 HD13 ILE 128 2HD1 ILE 128 -0.940 2.420 5.433 928 H GLN 129 H GLN 129 -5.470 5.972 5.388 929 HA GLN 129 HA GLN 129 -5.914 7.104 2.709 930 HB2 GLN 129 2HB GLN 129 -7.685 7.349 4.553 931 HB3 GLN 129 1HB GLN 129 -6.502 8.311 5.424 932 HG2 GLN 129 2HG GLN 129 -7.879 9.886 4.395 933 HG3 GLN 129 1HG GLN 129 -6.455 9.814 3.359 934 HE21 GLN 129 1HE2 GLN 129 -9.784 9.081 3.673 935 HE22 GLN 129 2HE2 GLN 129 -10.110 8.699 2.027 936 H ILE 130 H ILE 130 -4.073 7.958 1.989 937 HA ILE 130 HA ILE 130 -2.139 9.071 3.884 938 HB ILE 130 HB ILE 130 -1.682 7.968 1.090 939 HG12 ILE 130 2HG1 ILE 130 -1.000 6.836 3.816 940 HG13 ILE 130 1HG1 ILE 130 -2.208 6.213 2.712 941 HG21 ILE 130 1HG2 ILE 130 0.715 8.229 1.600 942 HG22 ILE 130 2HG2 ILE 130 0.300 8.988 3.136 943 HG23 ILE 130 3HG2 ILE 130 -0.132 9.778 1.617 944 HD11 ILE 130 3HD1 ILE 130 -0.415 5.632 1.125 945 HD12 ILE 130 1HD1 ILE 130 -0.226 4.833 2.688 946 HD13 ILE 130 2HD1 ILE 130 0.763 6.236 2.286 947 H GLY 131 H GLY 131 -2.498 11.171 3.953 948 HA2 GLY 131 2HA GLY 131 -2.669 13.342 3.252 949 HA3 GLY 131 1HA GLY 131 -2.225 12.796 1.632 950 H LYS 132 H LYS 132 -3.748 12.697 0.142 951 HA LYS 132 HA LYS 132 -6.531 12.732 1.051 952 HB2 LYS 132 2HB LYS 132 -7.124 14.050 -0.964 953 HB3 LYS 132 1HB LYS 132 -6.060 14.914 0.132 954 HG2 LYS 132 2HG LYS 132 -4.169 14.533 -1.336 955 HG3 LYS 132 1HG LYS 132 -5.149 13.508 -2.381 956 HD2 LYS 132 2HD LYS 132 -4.856 15.786 -3.319 957 HD3 LYS 132 1HD LYS 132 -6.547 15.415 -2.993 958 HE2 LYS 132 2HE LYS 132 -6.417 16.695 -0.901 959 HE3 LYS 132 1HE LYS 132 -4.722 17.035 -1.219 960 HZ1 LYS 132 3HZ LYS 132 -5.334 18.366 -3.097 961 HZ2 LYS 132 1HZ LYS 132 -6.272 18.845 -1.781 962 HZ3 LYS 132 2HZ LYS 132 -6.938 17.891 -3.008 963 H PHE 133 H PHE 133 -4.400 10.668 -0.043 964 HA PHE 133 HA PHE 133 -6.300 9.587 -1.891 965 HB2 PHE 133 2HB PHE 133 -4.464 8.583 -3.206 966 HB3 PHE 133 1HB PHE 133 -4.578 10.323 -3.299 967 HD1 PHE 133 1HD PHE 133 -2.834 11.701 -2.111 968 HD2 PHE 133 2HD PHE 133 -2.529 7.484 -2.554 969 HE1 PHE 133 1HE PHE 133 -0.408 11.840 -1.742 970 HE2 PHE 133 2HE PHE 133 -0.110 7.612 -2.175 971 HZ PHE 133 HZ PHE 133 0.960 9.789 -1.781 972 H ARG 134 H ARG 134 -6.402 7.328 -2.119 973 HA ARG 134 HA ARG 134 -6.172 6.170 0.578 974 HB2 ARG 134 2HB ARG 134 -8.397 6.897 -0.110 975 HB3 ARG 134 1HB ARG 134 -8.301 5.879 -1.529 976 HG2 ARG 134 2HG ARG 134 -8.353 3.896 -0.125 977 HG3 ARG 134 1HG ARG 134 -8.363 4.914 1.326 978 HD2 ARG 134 2HD ARG 134 -10.441 5.971 0.570 979 HD3 ARG 134 1HD ARG 134 -10.447 4.952 -0.859 980 HE ARG 134 HE ARG 134 -10.509 3.086 0.972 981 HH11 ARG 134 1HH1 ARG 134 -12.244 6.161 0.954 982 HH12 ARG 134 2HH1 ARG 134 -13.615 5.595 1.746 983 HH21 ARG 134 1HH2 ARG 134 -12.313 2.287 2.180 984 HH22 ARG 134 2HH2 ARG 134 -13.651 3.285 2.517 985 H LEU 135 H LEU 135 -5.262 4.238 0.765 986 HA LEU 135 HA LEU 135 -4.772 2.624 -1.640 987 HB2 LEU 135 2HB LEU 135 -2.954 3.015 0.754 988 HB3 LEU 135 1HB LEU 135 -2.728 1.751 -0.427 989 HG LEU 135 HG LEU 135 -2.402 3.568 -2.159 990 HD11 LEU 135 1HD1 LEU 135 -3.430 5.436 -1.065 991 HD12 LEU 135 2HD1 LEU 135 -1.720 5.785 -1.351 992 HD13 LEU 135 3HD1 LEU 135 -2.280 5.339 0.263 993 HD21 LEU 135 3HD2 LEU 135 -0.467 3.427 0.142 994 HD22 LEU 135 1HD2 LEU 135 -0.095 4.023 -1.477 995 HD23 LEU 135 2HD2 LEU 135 -0.547 2.336 -1.242 996 H VAL 136 H VAL 136 -5.146 0.451 -1.455 997 HA VAL 136 HA VAL 136 -6.482 -0.418 1.026 998 HB VAL 136 HB VAL 136 -6.819 -1.529 -1.775 999 HG11 VAL 136 1HG1 VAL 136 -7.296 -3.165 -0.051 1000 HG12 VAL 136 2HG1 VAL 136 -8.782 -2.686 -0.868 1001 HG13 VAL 136 3HG1 VAL 136 -8.412 -2.051 0.735 1002 HG21 VAL 136 3HG2 VAL 136 -8.688 0.301 -0.274 1003 HG22 VAL 136 1HG2 VAL 136 -8.987 -0.422 -1.854 1004 HG23 VAL 136 2HG2 VAL 136 -7.685 0.757 -1.644 1005 H PHE 137 H PHE 137 -5.571 -2.107 2.060 1006 HA PHE 137 HA PHE 137 -3.312 -3.440 0.762 1007 HB2 PHE 137 2HB PHE 137 -2.813 -2.265 2.863 1008 HB3 PHE 137 1HB PHE 137 -4.077 -3.175 3.674 1009 HD1 PHE 137 1HD PHE 137 -0.733 -3.349 2.180 1010 HD2 PHE 137 2HD PHE 137 -3.695 -5.418 4.430 1011 HE1 PHE 137 1HE PHE 137 0.920 -5.057 2.785 1012 HE2 PHE 137 2HE PHE 137 -2.042 -7.131 5.038 1013 HZ PHE 137 HZ PHE 137 0.270 -6.948 4.218 1014 H LEU 138 H LEU 138 -3.551 -5.562 0.218 1015 HA LEU 138 HA LEU 138 -5.372 -7.045 1.792 1016 HB2 LEU 138 2HB LEU 138 -6.553 -8.128 -0.117 1017 HB3 LEU 138 1HB LEU 138 -6.943 -6.450 0.133 1018 HG LEU 138 HG LEU 138 -6.987 -6.985 -2.129 1019 HD11 LEU 138 1HD1 LEU 138 -5.406 -5.413 -3.156 1020 HD12 LEU 138 2HD1 LEU 138 -4.549 -5.322 -1.615 1021 HD13 LEU 138 3HD1 LEU 138 -6.219 -4.774 -1.726 1022 HD21 LEU 138 3HD2 LEU 138 -4.165 -8.014 -1.926 1023 HD22 LEU 138 1HD2 LEU 138 -5.026 -7.757 -3.445 1024 HD23 LEU 138 2HD2 LEU 138 -5.625 -8.938 -2.283 1025 H ALA 139 H ALA 139 -5.007 -9.063 2.123 1026 HA ALA 139 HA ALA 139 -2.493 -10.088 1.072 1027 HB1 ALA 139 1HB ALA 139 -4.147 -10.953 3.456 1028 HB2 ALA 139 2HB ALA 139 -2.660 -10.007 3.519 1029 HB3 ALA 139 3HB ALA 139 -2.617 -11.678 2.956 1030 H GLY 140 H GLY 140 -2.594 -11.739 -0.311 1031 HA2 GLY 140 2HA GLY 140 -4.530 -13.629 -0.602 1032 HA3 GLY 140 1HA GLY 140 -5.233 -12.214 -1.338 1033 HA PRO 141 HA PRO 141 -2.876 -12.517 -5.172 1034 HB2 PRO 141 2HB PRO 141 -0.214 -11.744 -4.930 1035 HB3 PRO 141 1HB PRO 141 -1.572 -10.715 -5.408 1036 HG2 PRO 141 2HG PRO 141 -0.343 -11.113 -2.698 1037 HG3 PRO 141 1HG PRO 141 -0.850 -9.599 -3.471 1038 HD2 PRO 141 2HD PRO 141 -2.396 -10.629 -1.651 1039 HD3 PRO 141 1HD PRO 141 -3.131 -10.100 -3.170 1040 H ALA 142 H ALA 142 -2.010 -14.072 -6.231 1041 HA ALA 142 HA ALA 142 0.097 -15.763 -5.350 1042 HB1 ALA 142 1HB ALA 142 -2.733 -16.822 -5.705 1043 HB2 ALA 142 2HB ALA 142 -1.807 -16.850 -4.204 1044 HB3 ALA 142 3HB ALA 142 -1.299 -17.834 -5.576 1045 H GLU 143 H GLU 143 1.028 -15.043 -7.131 1046 HA GLU 143 HA GLU 143 -0.226 -15.633 -9.703 1047 HB2 GLU 143 2HB GLU 143 -0.561 -13.253 -9.039 1048 HB3 GLU 143 1HB GLU 143 1.174 -13.066 -8.936 1049 HG2 GLU 143 2HG GLU 143 1.367 -13.465 -11.327 1050 HG3 GLU 143 1HG GLU 143 -0.373 -13.716 -11.426 Start of MODEL 3 1 H1 MET 1 1HT MET 1 6.867 -10.847 -6.244 2 H2 MET 1 2HT MET 1 5.887 -11.242 -7.593 3 H3 MET 1 3HT MET 1 5.695 -9.779 -6.743 4 HA MET 1 HA MET 1 8.177 -10.343 -8.144 5 HB2 MET 1 2HB MET 1 5.834 -8.591 -8.941 6 HB3 MET 1 1HB MET 1 7.416 -8.533 -9.686 7 HG2 MET 1 2HG MET 1 7.092 -10.865 -10.443 8 HG3 MET 1 1HG MET 1 5.469 -10.822 -9.753 9 HE1 MET 1 2HE MET 1 6.079 -11.520 -12.857 10 HE2 MET 1 3HE MET 1 4.748 -10.634 -13.598 11 HE3 MET 1 1HE MET 1 4.483 -11.531 -12.105 12 H SER 2 H SER 2 9.605 -8.604 -7.966 13 HA SER 2 HA SER 2 8.809 -6.191 -6.671 14 HB2 SER 2 2HB SER 2 10.793 -6.458 -5.030 15 HB3 SER 2 1HB SER 2 9.307 -7.322 -4.646 16 HG SER 2 HG SER 2 10.296 -9.144 -4.889 17 H ASP 3 H ASP 3 9.955 -4.562 -7.553 18 HA ASP 3 HA ASP 3 11.887 -5.205 -9.560 19 HB2 ASP 3 2HB ASP 3 10.415 -3.299 -9.956 20 HB3 ASP 3 1HB ASP 3 10.982 -2.518 -8.482 21 H ASN 4 H ASN 4 12.158 -2.934 -6.871 22 HA ASN 4 HA ASN 4 14.589 -4.196 -5.994 23 HB2 ASN 4 2HB ASN 4 14.454 -1.316 -6.912 24 HB3 ASN 4 1HB ASN 4 15.675 -1.895 -5.791 25 HD21 ASN 4 1HD2 ASN 4 14.581 -1.840 -9.082 26 HD22 ASN 4 2HD2 ASN 4 15.973 -2.540 -9.777 27 H ASN 5 H ASN 5 14.592 -4.194 -3.895 28 HA ASN 5 HA ASN 5 12.431 -3.162 -2.411 29 HB2 ASN 5 2HB ASN 5 13.712 -5.124 -1.708 30 HB3 ASN 5 1HB ASN 5 15.139 -4.124 -1.483 31 HD21 ASN 5 1HD2 ASN 5 11.820 -3.211 -0.584 32 HD22 ASN 5 2HD2 ASN 5 12.111 -3.276 1.102 33 H GLY 6 H GLY 6 12.111 -1.171 -1.915 34 HA2 GLY 6 2HA GLY 6 14.323 0.720 -2.142 35 HA3 GLY 6 1HA GLY 6 12.618 1.121 -2.200 36 H THR 7 H THR 7 15.376 0.686 -0.226 37 HA THR 7 HA THR 7 13.828 1.740 2.013 38 HB THR 7 HB THR 7 15.780 0.968 3.419 39 HG1 THR 7 1HG THR 7 17.193 0.843 1.597 40 HG21 THR 7 3HG2 THR 7 13.725 -0.368 3.298 41 HG22 THR 7 1HG2 THR 7 15.133 -1.422 3.415 42 HG23 THR 7 2HG2 THR 7 14.331 -1.192 1.862 43 HA PRO 8 HA PRO 8 15.972 5.393 0.470 44 HB2 PRO 8 2HB PRO 8 14.738 6.639 2.859 45 HB3 PRO 8 1HB PRO 8 14.635 7.114 1.162 46 HG2 PRO 8 2HG PRO 8 12.564 5.967 2.386 47 HG3 PRO 8 1HG PRO 8 12.951 5.600 0.699 48 HD2 PRO 8 2HD PRO 8 13.497 3.985 3.159 49 HD3 PRO 8 1HD PRO 8 12.952 3.465 1.545 50 H GLU 9 H GLU 9 17.774 6.446 0.950 51 HA GLU 9 HA GLU 9 19.336 5.490 3.129 52 HB2 GLU 9 2HB GLU 9 21.108 6.930 2.043 53 HB3 GLU 9 1HB GLU 9 20.448 5.664 1.021 54 HG2 GLU 9 2HG GLU 9 18.995 7.362 -0.049 55 HG3 GLU 9 1HG GLU 9 19.794 8.600 0.916 56 HA PRO 10 HA PRO 10 18.578 8.537 6.153 57 HB2 PRO 10 2HB PRO 10 21.245 9.276 6.748 58 HB3 PRO 10 1HB PRO 10 20.285 8.036 7.552 59 HG2 PRO 10 2HG PRO 10 22.345 7.755 5.440 60 HG3 PRO 10 1HG PRO 10 21.880 6.620 6.717 61 HD2 PRO 10 2HD PRO 10 21.201 6.276 4.124 62 HD3 PRO 10 1HD PRO 10 20.146 5.715 5.421 63 H GLN 11 H GLN 11 17.719 10.343 5.557 64 HA GLN 11 HA GLN 11 19.293 12.565 4.594 65 HB2 GLN 11 2HB GLN 11 17.647 12.950 2.736 66 HB3 GLN 11 1HB GLN 11 18.651 11.525 2.516 67 HG2 GLN 11 2HG GLN 11 16.730 10.205 3.518 68 HG3 GLN 11 1HG GLN 11 15.761 11.659 3.303 69 HE21 GLN 11 1HE2 GLN 11 15.656 9.009 2.099 70 HE22 GLN 11 2HE2 GLN 11 15.718 9.206 0.388 71 H VAL 12 H VAL 12 18.278 14.536 5.100 72 HA VAL 12 HA VAL 12 16.107 14.178 7.044 73 HB VAL 12 HB VAL 12 18.203 16.358 7.036 74 HG11 VAL 12 1HG1 VAL 12 16.109 17.058 8.056 75 HG12 VAL 12 2HG1 VAL 12 17.366 16.861 9.280 76 HG13 VAL 12 3HG1 VAL 12 16.119 15.628 9.089 77 HG21 VAL 12 3HG2 VAL 12 17.979 13.914 8.787 78 HG22 VAL 12 1HG2 VAL 12 19.160 15.211 8.984 79 HG23 VAL 12 2HG2 VAL 12 19.201 14.192 7.544 80 H GLU 13 H GLU 13 14.247 15.166 6.658 81 HA GLU 13 HA GLU 13 14.213 17.604 5.076 82 HB2 GLU 13 2HB GLU 13 12.263 15.327 4.851 83 HB3 GLU 13 1HB GLU 13 12.105 16.893 4.090 84 HG2 GLU 13 2HG GLU 13 14.219 16.354 2.843 85 HG3 GLU 13 1HG GLU 13 14.065 14.708 3.458 86 H THR 14 H THR 14 12.201 18.739 5.469 87 HA THR 14 HA THR 14 11.304 18.432 8.217 88 HB THR 14 HB THR 14 10.836 20.709 6.263 89 HG1 THR 14 1HG THR 14 13.012 20.634 6.625 90 HG21 THR 14 3HG2 THR 14 10.347 21.992 8.309 91 HG22 THR 14 1HG2 THR 14 10.608 20.541 9.276 92 HG23 THR 14 2HG2 THR 14 9.256 20.615 8.148 93 H TPO 15 H TPO 15 9.326 17.550 8.528 94 HA TPO 15 HA TPO 15 7.477 17.493 6.248 95 HB TPO 15 HB TPO 15 7.334 15.845 8.803 96 HG21 TPO 15 1HG2 TPO 15 5.709 14.517 7.565 97 HG22 TPO 15 2HG2 TPO 15 5.883 15.579 6.170 98 HG23 TPO 15 3HG2 TPO 15 5.171 16.193 7.662 99 H SER 16 H SER 16 5.903 18.952 6.274 100 HA SER 16 HA SER 16 5.269 20.345 8.731 101 HB2 SER 16 2HB SER 16 4.431 20.873 5.868 102 HB3 SER 16 1HB SER 16 4.215 21.963 7.243 103 HG SER 16 HG SER 16 6.388 22.250 7.374 104 H VAL 17 H VAL 17 3.097 20.533 9.456 105 HA VAL 17 HA VAL 17 1.531 18.146 8.990 106 HB VAL 17 HB VAL 17 1.013 20.462 10.873 107 HG11 VAL 17 1HG1 VAL 17 -0.997 19.181 10.420 108 HG12 VAL 17 2HG1 VAL 17 -0.445 18.889 12.069 109 HG13 VAL 17 3HG1 VAL 17 -0.155 17.684 10.816 110 HG21 VAL 17 3HG2 VAL 17 1.943 19.060 12.634 111 HG22 VAL 17 1HG2 VAL 17 3.143 19.365 11.380 112 HG23 VAL 17 2HG2 VAL 17 2.314 17.806 11.458 113 H PHE 18 H PHE 18 0.062 18.129 7.409 114 HA PHE 18 HA PHE 18 -1.296 20.629 6.771 115 HB2 PHE 18 2HB PHE 18 -1.769 19.722 4.546 116 HB3 PHE 18 1HB PHE 18 -0.045 19.656 4.857 117 HD1 PHE 18 2HD PHE 18 0.764 17.316 5.841 118 HD2 PHE 18 1HD PHE 18 -2.787 17.926 3.601 119 HE1 PHE 18 2HE PHE 18 0.747 14.951 5.228 120 HE2 PHE 18 1HE PHE 18 -2.808 15.551 2.982 121 HZ PHE 18 HZ PHE 18 -1.037 14.063 3.802 122 H ARG 19 H ARG 19 -3.284 20.806 7.364 123 HA ARG 19 HA ARG 19 -4.876 18.441 7.738 124 HB2 ARG 19 2HB ARG 19 -4.263 20.408 9.902 125 HB3 ARG 19 1HB ARG 19 -5.773 19.501 9.911 126 HG2 ARG 19 2HG ARG 19 -4.532 17.413 9.867 127 HG3 ARG 19 1HG ARG 19 -3.015 18.301 9.827 128 HD2 ARG 19 2HD ARG 19 -3.453 19.205 12.018 129 HD3 ARG 19 1HD ARG 19 -5.046 18.441 12.052 130 HE ARG 19 HE ARG 19 -3.519 16.345 11.650 131 HH11 ARG 19 1HH1 ARG 19 -2.966 19.007 13.934 132 HH12 ARG 19 2HH1 ARG 19 -2.216 18.042 15.104 133 HH21 ARG 19 1HH2 ARG 19 -2.505 14.998 13.308 134 HH22 ARG 19 2HH2 ARG 19 -1.947 15.738 14.743 135 H ALA 20 H ALA 20 -6.955 18.572 7.508 136 HA ALA 20 HA ALA 20 -8.960 19.217 6.915 137 HB1 ALA 20 1HB ALA 20 -9.787 21.484 7.045 138 HB2 ALA 20 2HB ALA 20 -8.139 22.114 7.061 139 HB3 ALA 20 3HB ALA 20 -8.734 21.172 8.426 140 H ASP 21 H ASP 21 -6.349 20.158 5.167 141 HA ASP 21 HA ASP 21 -7.844 20.675 2.737 142 HB2 ASP 21 2HB ASP 21 -5.681 20.756 1.584 143 HB3 ASP 21 1HB ASP 21 -5.615 21.728 3.047 144 H LEU 22 H LEU 22 -6.029 18.086 4.164 145 HA LEU 22 HA LEU 22 -6.451 16.207 2.137 146 HB2 LEU 22 2HB LEU 22 -5.972 14.481 3.924 147 HB3 LEU 22 1HB LEU 22 -4.742 15.688 3.674 148 HG LEU 22 HG LEU 22 -5.574 16.849 5.770 149 HD11 LEU 22 1HD1 LEU 22 -7.805 15.910 5.926 150 HD12 LEU 22 2HD1 LEU 22 -6.870 15.550 7.377 151 HD13 LEU 22 3HD1 LEU 22 -7.129 14.300 6.161 152 HD21 LEU 22 3HD2 LEU 22 -4.478 15.278 7.289 153 HD22 LEU 22 1HD2 LEU 22 -3.588 15.468 5.777 154 HD23 LEU 22 2HD2 LEU 22 -4.569 14.028 6.052 155 H LEU 23 H LEU 23 -8.479 17.411 4.550 156 HA LEU 23 HA LEU 23 -10.384 15.276 4.581 157 HB2 LEU 23 2HB LEU 23 -10.048 16.830 6.475 158 HB3 LEU 23 1HB LEU 23 -10.633 18.147 5.487 159 HG LEU 23 HG LEU 23 -12.866 17.100 5.424 160 HD11 LEU 23 1HD1 LEU 23 -11.654 15.084 7.313 161 HD12 LEU 23 2HD1 LEU 23 -12.208 14.764 5.669 162 HD13 LEU 23 3HD1 LEU 23 -13.365 15.224 6.915 163 HD21 LEU 23 3HD2 LEU 23 -13.435 17.518 7.768 164 HD22 LEU 23 1HD2 LEU 23 -12.343 18.751 7.137 165 HD23 LEU 23 2HD2 LEU 23 -11.723 17.479 8.189 166 H LYS 24 H LYS 24 -10.065 18.397 2.980 167 HA LYS 24 HA LYS 24 -12.565 18.318 1.645 168 HB2 LYS 24 2HB LYS 24 -10.033 19.821 0.981 169 HB3 LYS 24 1HB LYS 24 -11.575 20.076 0.181 170 HG2 LYS 24 2HG LYS 24 -12.555 20.795 2.304 171 HG3 LYS 24 1HG LYS 24 -11.001 20.532 3.100 172 HD2 LYS 24 2HD LYS 24 -9.961 22.198 1.659 173 HD3 LYS 24 1HD LYS 24 -11.491 22.449 0.822 174 HE2 LYS 24 2HE LYS 24 -11.096 24.210 2.457 175 HE3 LYS 24 1HE LYS 24 -12.498 23.242 2.905 176 HZ1 LYS 24 3HZ LYS 24 -11.158 22.098 4.554 177 HZ2 LYS 24 1HZ LYS 24 -11.026 23.759 4.789 178 HZ3 LYS 24 2HZ LYS 24 -9.775 22.943 4.060 179 H GLU 25 H GLU 25 -9.295 17.343 0.779 180 HA GLU 25 HA GLU 25 -9.897 16.646 -1.887 181 HB2 GLU 25 2HB GLU 25 -7.612 17.116 -0.870 182 HB3 GLU 25 1HB GLU 25 -7.679 15.487 -0.212 183 HG2 GLU 25 2HG GLU 25 -6.394 15.492 -2.262 184 HG3 GLU 25 1HG GLU 25 -7.898 14.601 -2.496 185 H MET 26 H MET 26 -9.841 14.817 1.142 186 HA MET 26 HA MET 26 -10.173 12.240 0.128 187 HB2 MET 26 2HB MET 26 -9.653 12.798 2.491 188 HB3 MET 26 1HB MET 26 -11.310 13.344 2.692 189 HG2 MET 26 2HG MET 26 -12.073 11.049 2.106 190 HG3 MET 26 1HG MET 26 -10.388 10.539 2.093 191 HE1 MET 26 3HE MET 26 -13.422 11.739 4.217 192 HE2 MET 26 1HE MET 26 -12.282 13.057 4.482 193 HE3 MET 26 2HE MET 26 -12.712 11.983 5.810 194 H GLU 27 H GLU 27 -12.566 14.722 0.893 195 HA GLU 27 HA GLU 27 -14.869 13.168 0.467 196 HB2 GLU 27 2HB GLU 27 -14.449 16.143 0.151 197 HB3 GLU 27 1HB GLU 27 -16.015 15.351 0.109 198 HG2 GLU 27 2HG GLU 27 -14.127 15.360 2.459 199 HG3 GLU 27 1HG GLU 27 -15.574 16.352 2.267 200 H SER 28 H SER 28 -12.878 15.065 -1.715 201 HA SER 28 HA SER 28 -14.517 14.733 -4.001 202 HB2 SER 28 2HB SER 28 -11.560 15.332 -3.823 203 HB3 SER 28 1HB SER 28 -12.622 15.662 -5.196 204 HG SER 28 HG SER 28 -13.772 17.082 -3.912 205 H SER 29 H SER 29 -11.738 13.027 -2.654 206 HA SER 29 HA SER 29 -11.303 11.270 -4.793 207 HB2 SER 29 2HB SER 29 -9.649 11.763 -2.956 208 HB3 SER 29 1HB SER 29 -10.651 10.818 -1.863 209 HG SER 29 HG SER 29 -9.013 10.024 -3.953 210 H THR 30 H THR 30 -13.184 10.931 -1.794 211 HA THR 30 HA THR 30 -13.978 8.262 -2.471 212 HB THR 30 HB THR 30 -15.143 9.965 -0.281 213 HG1 THR 30 1HG THR 30 -13.168 10.078 0.379 214 HG21 THR 30 3HG2 THR 30 -16.183 7.770 -0.743 215 HG22 THR 30 1HG2 THR 30 -15.388 7.789 0.832 216 HG23 THR 30 2HG2 THR 30 -14.613 6.993 -0.533 217 H GLY 31 H GLY 31 -15.239 8.359 -4.314 218 HA2 GLY 31 2HA GLY 31 -17.744 9.886 -4.110 219 HA3 GLY 31 1HA GLY 31 -17.123 9.133 -5.582 220 H THR 32 H THR 32 -16.623 6.749 -5.188 221 HA THR 32 HA THR 32 -18.962 5.472 -3.990 222 HB THR 32 HB THR 32 -17.162 4.510 -6.236 223 HG1 THR 32 1HG THR 32 -18.310 6.074 -7.182 224 HG21 THR 32 3HG2 THR 32 -18.922 2.826 -6.594 225 HG22 THR 32 1HG2 THR 32 -19.820 3.471 -5.218 226 HG23 THR 32 2HG2 THR 32 -18.250 2.704 -4.969 227 H ALA 33 H ALA 33 -18.413 4.294 -2.214 228 HA ALA 33 HA ALA 33 -15.641 3.416 -1.902 229 HB1 ALA 33 1HB ALA 33 -16.556 4.749 -0.062 230 HB2 ALA 33 2HB ALA 33 -16.218 3.098 0.465 231 HB3 ALA 33 3HB ALA 33 -17.876 3.593 0.127 232 HA PRO 34 HA PRO 34 -17.658 -0.488 -3.084 233 HB2 PRO 34 2HB PRO 34 -15.037 -1.319 -4.011 234 HB3 PRO 34 1HB PRO 34 -16.501 -1.041 -4.954 235 HG2 PRO 34 2HG PRO 34 -14.320 0.569 -5.130 236 HG3 PRO 34 1HG PRO 34 -15.973 1.149 -5.380 237 HD2 PRO 34 2HD PRO 34 -14.257 1.348 -2.926 238 HD3 PRO 34 1HD PRO 34 -15.284 2.585 -3.698 239 H ALA 35 H ALA 35 -17.698 -2.357 -2.002 240 HA ALA 35 HA ALA 35 -15.878 -2.705 0.232 241 HB1 ALA 35 1HB ALA 35 -18.272 -2.991 0.605 242 HB2 ALA 35 2HB ALA 35 -17.434 -4.523 0.857 243 HB3 ALA 35 3HB ALA 35 -18.329 -4.239 -0.637 244 H SER 36 H SER 36 -14.765 -4.786 0.507 245 HA SER 36 HA SER 36 -14.168 -5.947 -2.110 246 HB2 SER 36 2HB SER 36 -12.290 -5.651 0.241 247 HB3 SER 36 1HB SER 36 -11.889 -6.364 -1.322 248 HG SER 36 HG SER 36 -12.949 -3.781 -1.104 249 H THR 37 H THR 37 -13.958 -8.127 -2.317 250 HA THR 37 HA THR 37 -14.457 -9.868 -0.011 251 HB THR 37 HB THR 37 -15.575 -10.243 -2.815 252 HG1 THR 37 1HG THR 37 -16.926 -8.773 -2.147 253 HG21 THR 37 3HG2 THR 37 -15.219 -12.309 -1.511 254 HG22 THR 37 1HG2 THR 37 -16.932 -11.981 -1.774 255 HG23 THR 37 2HG2 THR 37 -16.199 -11.639 -0.206 256 H GLY 38 H GLY 38 -13.102 -11.789 -0.120 257 HA2 GLY 38 2HA GLY 38 -11.891 -13.355 -1.417 258 HA3 GLY 38 1HA GLY 38 -11.552 -12.081 -2.591 259 H ALA 39 H ALA 39 -11.498 -11.062 0.555 260 HA ALA 39 HA ALA 39 -8.639 -10.655 0.413 261 HB1 ALA 39 1HB ALA 39 -8.984 -9.126 2.295 262 HB2 ALA 39 2HB ALA 39 -10.664 -9.631 2.398 263 HB3 ALA 39 3HB ALA 39 -10.099 -8.752 0.975 264 H GLU 40 H GLU 40 -11.107 -12.334 2.104 265 HA GLU 40 HA GLU 40 -9.429 -13.248 4.268 266 HB2 GLU 40 2HB GLU 40 -11.491 -14.465 5.002 267 HB3 GLU 40 1HB GLU 40 -11.686 -12.729 4.880 268 HG2 GLU 40 2HG GLU 40 -12.568 -14.606 2.692 269 HG3 GLU 40 1HG GLU 40 -13.605 -14.205 4.052 270 H ASN 41 H ASN 41 -9.579 -14.034 1.239 271 HA ASN 41 HA ASN 41 -9.776 -16.902 1.363 272 HB2 ASN 41 2HB ASN 41 -8.930 -15.051 -0.870 273 HB3 ASN 41 1HB ASN 41 -8.967 -16.800 -1.035 274 HD21 ASN 41 1HD2 ASN 41 -10.452 -16.658 -2.680 275 HD22 ASN 41 2HD2 ASN 41 -12.116 -16.291 -2.420 276 H LEU 42 H LEU 42 -7.230 -14.499 1.255 277 HA LEU 42 HA LEU 42 -4.936 -14.592 1.434 278 HB2 LEU 42 2HB LEU 42 -5.854 -16.824 3.204 279 HB3 LEU 42 1HB LEU 42 -4.138 -16.524 3.022 280 HG LEU 42 HG LEU 42 -4.871 -15.583 5.076 281 HD11 LEU 42 1HD1 LEU 42 -3.238 -14.274 3.930 282 HD12 LEU 42 2HD1 LEU 42 -4.321 -13.242 4.860 283 HD13 LEU 42 3HD1 LEU 42 -4.505 -13.358 3.110 284 HD21 LEU 42 3HD2 LEU 42 -6.982 -14.073 3.544 285 HD22 LEU 42 1HD2 LEU 42 -6.621 -13.874 5.259 286 HD23 LEU 42 2HD2 LEU 42 -7.258 -15.408 4.659 287 HA PRO 43 HA PRO 43 -5.006 -18.457 -1.494 288 HB2 PRO 43 2HB PRO 43 -4.622 -17.265 -3.907 289 HB3 PRO 43 1HB PRO 43 -6.215 -17.543 -3.199 290 HG2 PRO 43 2HG PRO 43 -4.569 -15.045 -3.218 291 HG3 PRO 43 1HG PRO 43 -6.302 -15.235 -3.526 292 HD2 PRO 43 2HD PRO 43 -5.347 -14.382 -1.151 293 HD3 PRO 43 1HD PRO 43 -6.807 -15.383 -1.271 294 H ALA 44 H ALA 44 -3.015 -15.666 -2.264 295 HA ALA 44 HA ALA 44 -0.801 -17.338 -3.046 296 HB1 ALA 44 1HB ALA 44 0.322 -15.283 -3.636 297 HB2 ALA 44 2HB ALA 44 -0.922 -14.356 -2.796 298 HB3 ALA 44 3HB ALA 44 -1.337 -15.266 -4.248 299 H GLY 45 H GLY 45 -1.786 -15.879 -0.107 300 HA2 GLY 45 2HA GLY 45 -0.752 -16.002 1.991 301 HA3 GLY 45 1HA GLY 45 0.626 -16.777 1.219 302 H SER 46 H SER 46 0.032 -14.158 -0.518 303 HA SER 46 HA SER 46 1.818 -12.412 0.991 304 HB2 SER 46 2HB SER 46 2.937 -13.316 -0.968 305 HB3 SER 46 1HB SER 46 1.596 -12.844 -2.013 306 HG SER 46 HG SER 46 3.740 -11.456 -1.353 307 H ALA 47 H ALA 47 1.461 -10.104 0.087 308 HA ALA 47 HA ALA 47 -1.357 -9.634 -0.458 309 HB1 ALA 47 1HB ALA 47 -1.579 -8.031 1.366 310 HB2 ALA 47 2HB ALA 47 0.064 -8.391 1.895 311 HB3 ALA 47 3HB ALA 47 -1.183 -9.634 1.985 312 H LEU 48 H LEU 48 -1.816 -7.539 -1.244 313 HA LEU 48 HA LEU 48 0.521 -6.021 -1.992 314 HB2 LEU 48 2HB LEU 48 -0.261 -5.686 -4.263 315 HB3 LEU 48 1HB LEU 48 -0.074 -7.383 -3.951 316 HG LEU 48 HG LEU 48 -1.923 -7.138 -5.368 317 HD11 LEU 48 1HD1 LEU 48 -3.829 -8.029 -4.223 318 HD12 LEU 48 2HD1 LEU 48 -3.073 -7.636 -2.681 319 HD13 LEU 48 3HD1 LEU 48 -2.314 -8.807 -3.759 320 HD21 LEU 48 3HD2 LEU 48 -3.092 -5.072 -3.516 321 HD22 LEU 48 1HD2 LEU 48 -3.919 -5.764 -4.911 322 HD23 LEU 48 2HD2 LEU 48 -2.459 -4.808 -5.141 323 H LEU 49 H LEU 49 0.108 -3.854 -2.455 324 HA LEU 49 HA LEU 49 -2.453 -2.957 -1.414 325 HB2 LEU 49 2HB LEU 49 -1.391 -0.884 -0.582 326 HB3 LEU 49 1HB LEU 49 -0.793 -2.302 0.238 327 HG LEU 49 HG LEU 49 0.767 -0.939 -1.972 328 HD11 LEU 49 1HD1 LEU 49 2.017 0.176 -0.190 329 HD12 LEU 49 2HD1 LEU 49 0.903 -0.483 1.008 330 HD13 LEU 49 3HD1 LEU 49 0.326 0.675 -0.192 331 HD21 LEU 49 3HD2 LEU 49 1.464 -3.228 -1.403 332 HD22 LEU 49 1HD2 LEU 49 1.592 -2.762 0.293 333 HD23 LEU 49 2HD2 LEU 49 2.673 -2.047 -0.900 334 H VAL 50 H VAL 50 -3.587 -1.847 -2.717 335 HA VAL 50 HA VAL 50 -2.332 -0.943 -5.208 336 HB VAL 50 HB VAL 50 -3.883 -2.818 -5.596 337 HG11 VAL 50 1HG1 VAL 50 -5.327 -2.613 -3.681 338 HG12 VAL 50 2HG1 VAL 50 -6.282 -2.649 -5.163 339 HG13 VAL 50 3HG1 VAL 50 -6.010 -1.120 -4.324 340 HG21 VAL 50 3HG2 VAL 50 -5.375 -1.804 -7.260 341 HG22 VAL 50 1HG2 VAL 50 -3.762 -1.097 -7.350 342 HG23 VAL 50 2HG2 VAL 50 -5.069 -0.212 -6.571 343 H VAL 51 H VAL 51 -2.592 1.139 -5.808 344 HA VAL 51 HA VAL 51 -3.903 2.968 -3.968 345 HB VAL 51 HB VAL 51 -2.978 3.531 -6.787 346 HG11 VAL 51 1HG1 VAL 51 -2.648 5.812 -5.939 347 HG12 VAL 51 2HG1 VAL 51 -3.185 5.292 -4.344 348 HG13 VAL 51 3HG1 VAL 51 -4.310 5.266 -5.701 349 HG21 VAL 51 3HG2 VAL 51 -1.119 2.442 -5.591 350 HG22 VAL 51 1HG2 VAL 51 -1.220 3.664 -4.329 351 HG23 VAL 51 2HG2 VAL 51 -0.763 4.122 -5.970 352 H LYS 52 H LYS 52 -5.910 3.259 -3.935 353 HA LYS 52 HA LYS 52 -7.520 1.893 -5.907 354 HB2 LYS 52 2HB LYS 52 -7.792 2.233 -3.228 355 HB3 LYS 52 1HB LYS 52 -8.754 3.587 -3.795 356 HG2 LYS 52 2HG LYS 52 -9.206 0.677 -4.442 357 HG3 LYS 52 1HG LYS 52 -10.176 1.683 -3.366 358 HD2 LYS 52 2HD LYS 52 -10.803 3.086 -5.236 359 HD3 LYS 52 1HD LYS 52 -9.771 2.125 -6.297 360 HE2 LYS 52 2HE LYS 52 -11.156 0.147 -5.788 361 HE3 LYS 52 1HE LYS 52 -12.222 1.175 -4.831 362 HZ1 LYS 52 3HZ LYS 52 -11.666 1.524 -7.720 363 HZ2 LYS 52 1HZ LYS 52 -12.725 2.457 -6.800 364 HZ3 LYS 52 2HZ LYS 52 -13.065 0.832 -7.084 365 H ARG 53 H ARG 53 -6.804 5.100 -4.767 366 HA ARG 53 HA ARG 53 -7.361 6.216 -7.286 367 HB2 ARG 53 2HB ARG 53 -9.691 6.086 -6.157 368 HB3 ARG 53 1HB ARG 53 -9.090 7.331 -5.066 369 HG2 ARG 53 2HG ARG 53 -8.644 8.796 -6.954 370 HG3 ARG 53 1HG ARG 53 -9.204 7.552 -8.061 371 HD2 ARG 53 2HD ARG 53 -11.429 7.661 -6.951 372 HD3 ARG 53 1HD ARG 53 -10.833 9.032 -6.008 373 HE ARG 53 HE ARG 53 -10.565 9.211 -8.880 374 HH11 ARG 53 1HH1 ARG 53 -12.536 10.102 -6.102 375 HH12 ARG 53 2HH1 ARG 53 -13.224 11.463 -6.843 376 HH21 ARG 53 1HH2 ARG 53 -11.559 10.976 -9.942 377 HH22 ARG 53 2HH2 ARG 53 -12.677 11.960 -9.119 378 H GLY 54 H GLY 54 -6.379 8.199 -7.463 379 HA2 GLY 54 2HA GLY 54 -5.515 10.066 -5.906 380 HA3 GLY 54 1HA GLY 54 -4.492 8.743 -5.330 381 HA PRO 55 HA PRO 55 -2.474 10.741 -9.051 382 HB2 PRO 55 2HB PRO 55 -0.108 10.202 -7.343 383 HB3 PRO 55 1HB PRO 55 -0.508 11.640 -8.292 384 HG2 PRO 55 2HG PRO 55 -0.746 11.708 -5.658 385 HG3 PRO 55 1HG PRO 55 -1.991 12.452 -6.680 386 HD2 PRO 55 2HD PRO 55 -2.038 9.795 -5.286 387 HD3 PRO 55 1HD PRO 55 -3.315 11.029 -5.394 388 H ASN 56 H ASN 56 -1.151 8.082 -7.039 389 HA ASN 56 HA ASN 56 -0.088 6.761 -9.389 390 HB2 ASN 56 2HB ASN 56 -0.061 5.954 -6.474 391 HB3 ASN 56 1HB ASN 56 0.873 5.190 -7.758 392 HD21 ASN 56 1HD2 ASN 56 2.672 6.298 -8.576 393 HD22 ASN 56 2HD2 ASN 56 3.364 7.629 -7.731 394 H ALA 57 H ALA 57 -3.062 6.983 -8.873 395 HA ALA 57 HA ALA 57 -4.220 4.629 -7.899 396 HB1 ALA 57 1HB ALA 57 -5.316 6.389 -10.072 397 HB2 ALA 57 2HB ALA 57 -5.474 6.686 -8.342 398 HB3 ALA 57 3HB ALA 57 -6.232 5.264 -9.067 399 H GLY 58 H GLY 58 -4.626 2.696 -8.622 400 HA2 GLY 58 2HA GLY 58 -5.113 1.128 -10.315 401 HA3 GLY 58 1HA GLY 58 -4.223 2.126 -11.461 402 H ALA 59 H ALA 59 -2.032 2.488 -9.463 403 HA ALA 59 HA ALA 59 -0.550 0.176 -10.272 404 HB1 ALA 59 1HB ALA 59 0.277 2.519 -8.558 405 HB2 ALA 59 2HB ALA 59 0.495 2.393 -10.305 406 HB3 ALA 59 3HB ALA 59 1.359 1.297 -9.224 407 H ARG 60 H ARG 60 0.383 -1.336 -8.925 408 HA ARG 60 HA ARG 60 -0.247 -1.266 -6.146 409 HB2 ARG 60 2HB ARG 60 -1.190 -3.559 -6.082 410 HB3 ARG 60 1HB ARG 60 -2.246 -2.379 -6.817 411 HG2 ARG 60 2HG ARG 60 -0.560 -4.277 -8.428 412 HG3 ARG 60 1HG ARG 60 -2.174 -4.683 -7.857 413 HD2 ARG 60 2HD ARG 60 -3.025 -2.659 -9.053 414 HD3 ARG 60 1HD ARG 60 -1.406 -2.444 -9.723 415 HE ARG 60 HE ARG 60 -2.008 -4.989 -10.336 416 HH11 ARG 60 1HH1 ARG 60 -3.605 -1.893 -11.049 417 HH12 ARG 60 2HH1 ARG 60 -4.447 -2.527 -12.398 418 HH21 ARG 60 1HH2 ARG 60 -3.143 -5.776 -12.173 419 HH22 ARG 60 2HH2 ARG 60 -4.200 -4.749 -13.030 420 H PHE 61 H PHE 61 1.105 -2.266 -4.930 421 HA PHE 61 HA PHE 61 3.274 -3.761 -6.224 422 HB2 PHE 61 2HB PHE 61 3.482 -1.894 -3.839 423 HB3 PHE 61 1HB PHE 61 4.805 -2.794 -4.559 424 HD1 PHE 61 2HD PHE 61 5.496 -2.208 -6.938 425 HD2 PHE 61 1HD PHE 61 2.894 0.233 -4.606 426 HE1 PHE 61 2HE PHE 61 5.961 -0.296 -8.418 427 HE2 PHE 61 1HE PHE 61 3.359 2.146 -6.088 428 HZ PHE 61 HZ PHE 61 4.896 1.880 -7.990 429 H LEU 62 H LEU 62 4.007 -5.520 -5.016 430 HA LEU 62 HA LEU 62 2.208 -6.241 -2.838 431 HB2 LEU 62 2HB LEU 62 2.602 -8.605 -3.310 432 HB3 LEU 62 1HB LEU 62 1.860 -7.785 -4.662 433 HG LEU 62 HG LEU 62 4.830 -8.256 -4.658 434 HD11 LEU 62 1HD1 LEU 62 4.396 -10.405 -5.772 435 HD12 LEU 62 2HD1 LEU 62 2.672 -10.202 -5.480 436 HD13 LEU 62 3HD1 LEU 62 3.778 -10.405 -4.123 437 HD21 LEU 62 3HD2 LEU 62 3.800 -6.814 -6.390 438 HD22 LEU 62 1HD2 LEU 62 2.739 -8.146 -6.840 439 HD23 LEU 62 2HD2 LEU 62 4.481 -8.290 -7.072 440 H LEU 63 H LEU 63 3.003 -7.177 -1.008 441 HA LEU 63 HA LEU 63 5.720 -6.441 -0.439 442 HB2 LEU 63 2HB LEU 63 3.735 -8.018 1.231 443 HB3 LEU 63 1HB LEU 63 5.313 -7.519 1.787 444 HG LEU 63 HG LEU 63 3.780 -6.062 2.797 445 HD11 LEU 63 1HD1 LEU 63 4.307 -3.866 1.953 446 HD12 LEU 63 2HD1 LEU 63 4.920 -4.578 0.464 447 HD13 LEU 63 3HD1 LEU 63 5.722 -4.916 1.998 448 HD21 LEU 63 3HD2 LEU 63 2.512 -5.588 0.102 449 HD22 LEU 63 1HD2 LEU 63 2.084 -4.749 1.594 450 HD23 LEU 63 2HD2 LEU 63 1.808 -6.485 1.447 451 H ASP 64 H ASP 64 7.154 -7.526 -1.415 452 HA ASP 64 HA ASP 64 7.052 -10.482 -1.592 453 HB2 ASP 64 2HB ASP 64 6.673 -9.138 -3.707 454 HB3 ASP 64 1HB ASP 64 8.259 -8.439 -3.469 455 H GLN 65 H GLN 65 8.220 -8.102 0.071 456 HA GLN 65 HA GLN 65 10.878 -9.138 0.385 457 HB2 GLN 65 2HB GLN 65 11.725 -6.786 0.635 458 HB3 GLN 65 1HB GLN 65 11.240 -7.177 -0.999 459 HG2 GLN 65 2HG GLN 65 9.507 -5.655 0.951 460 HG3 GLN 65 1HG GLN 65 10.601 -4.888 -0.189 461 HE21 GLN 65 1HE2 GLN 65 7.697 -4.787 0.118 462 HE22 GLN 65 2HE2 GLN 65 7.045 -5.137 -1.447 463 HA PRO 66 HA PRO 66 9.488 -8.979 4.580 464 HB2 PRO 66 2HB PRO 66 12.256 -8.649 5.474 465 HB3 PRO 66 1HB PRO 66 11.154 -10.013 5.703 466 HG2 PRO 66 2HG PRO 66 13.272 -10.154 4.058 467 HG3 PRO 66 1HG PRO 66 11.750 -10.987 3.700 468 HD2 PRO 66 2HD PRO 66 12.801 -8.407 2.618 469 HD3 PRO 66 1HD PRO 66 12.021 -9.762 1.768 470 H THR 67 H THR 67 11.264 -6.289 3.320 471 HA THR 67 HA THR 67 10.311 -4.650 5.571 472 HB THR 67 HB THR 67 13.125 -4.474 4.428 473 HG1 THR 67 1HG THR 67 12.011 -6.035 6.401 474 HG21 THR 67 3HG2 THR 67 11.875 -3.217 6.887 475 HG22 THR 67 1HG2 THR 67 12.245 -2.371 5.384 476 HG23 THR 67 2HG2 THR 67 13.550 -3.032 6.371 477 H THR 68 H THR 68 9.207 -2.987 4.728 478 HA THR 68 HA THR 68 9.868 -1.967 2.070 479 HB THR 68 HB THR 68 7.291 -2.947 3.211 480 HG1 THR 68 1HG THR 68 8.274 -3.165 0.603 481 HG21 THR 68 3HG2 THR 68 6.026 -1.871 1.395 482 HG22 THR 68 1HG2 THR 68 7.494 -1.042 0.882 483 HG23 THR 68 2HG2 THR 68 6.773 -0.664 2.448 484 H THR 69 H THR 69 9.797 0.264 1.904 485 HA THR 69 HA THR 69 8.704 1.758 4.178 486 HB THR 69 HB THR 69 10.983 2.642 2.370 487 HG1 THR 69 1HG THR 69 10.943 1.049 4.670 488 HG21 THR 69 3HG2 THR 69 10.004 3.660 5.055 489 HG22 THR 69 1HG2 THR 69 9.750 4.459 3.506 490 HG23 THR 69 2HG2 THR 69 11.378 4.299 4.158 491 H ALA 70 H ALA 70 7.307 3.511 3.593 492 HA ALA 70 HA ALA 70 6.777 3.746 0.723 493 HB1 ALA 70 1HB ALA 70 4.439 4.183 1.310 494 HB2 ALA 70 2HB ALA 70 4.828 3.977 3.016 495 HB3 ALA 70 3HB ALA 70 4.954 2.605 1.916 496 H GLY 71 H GLY 71 6.739 5.744 -0.104 497 HA2 GLY 71 2HA GLY 71 6.190 8.085 1.212 498 HA3 GLY 71 1HA GLY 71 7.929 7.818 1.329 499 H ARG 72 H ARG 72 8.253 9.628 0.063 500 HA ARG 72 HA ARG 72 7.278 9.655 -2.661 501 HB2 ARG 72 2HB ARG 72 7.383 11.691 -1.163 502 HB3 ARG 72 1HB ARG 72 9.130 11.602 -1.287 503 HG2 ARG 72 2HG ARG 72 8.947 11.882 -3.719 504 HG3 ARG 72 1HG ARG 72 7.195 12.046 -3.552 505 HD2 ARG 72 2HD ARG 72 8.138 14.238 -3.688 506 HD3 ARG 72 1HD ARG 72 7.611 13.979 -2.025 507 HE ARG 72 HE ARG 72 10.391 13.747 -2.947 508 HH11 ARG 72 1HH1 ARG 72 8.087 14.636 -0.380 509 HH12 ARG 72 2HH1 ARG 72 9.279 15.407 0.567 510 HH21 ARG 72 1HH2 ARG 72 11.979 14.806 -1.588 511 HH22 ARG 72 2HH2 ARG 72 11.537 15.428 -0.094 512 H HIS 73 H HIS 73 8.649 9.651 -4.437 513 HA HIS 73 HA HIS 73 10.431 9.333 -5.760 514 HB2 HIS 73 2HB HIS 73 12.147 8.992 -3.265 515 HB3 HIS 73 1HB HIS 73 12.761 9.066 -4.906 516 HD1 HIS 73 1HD HIS 73 13.689 11.064 -2.697 517 HD2 HIS 73 2HD HIS 73 10.670 11.802 -5.454 518 HE1 HIS 73 1HE HIS 73 13.497 13.549 -2.849 519 HA PRO 74 HA PRO 74 10.328 4.899 -6.163 520 HB2 PRO 74 2HB PRO 74 12.749 5.010 -7.822 521 HB3 PRO 74 1HB PRO 74 11.109 4.559 -8.289 522 HG2 PRO 74 2HG PRO 74 12.224 6.845 -9.125 523 HG3 PRO 74 1HG PRO 74 10.496 6.729 -8.736 524 HD2 PRO 74 2HD PRO 74 12.739 7.843 -7.094 525 HD3 PRO 74 1HD PRO 74 11.118 8.513 -7.395 526 H GLU 75 H GLU 75 12.721 6.555 -4.675 527 HA GLU 75 HA GLU 75 14.614 4.569 -4.052 528 HB2 GLU 75 2HB GLU 75 14.922 7.033 -4.036 529 HB3 GLU 75 1HB GLU 75 13.808 7.124 -2.688 530 HG2 GLU 75 2HG GLU 75 15.277 5.930 -1.312 531 HG3 GLU 75 1HG GLU 75 16.378 5.625 -2.672 532 H SER 76 H SER 76 11.495 5.628 -2.916 533 HA SER 76 HA SER 76 11.543 3.991 -0.560 534 HB2 SER 76 2HB SER 76 9.323 5.567 -1.902 535 HB3 SER 76 1HB SER 76 9.235 4.822 -0.306 536 HG SER 76 HG SER 76 10.382 7.206 -1.055 537 H ASP 77 H ASP 77 10.665 2.011 -0.462 538 HA ASP 77 HA ASP 77 10.475 0.314 -2.646 539 HB2 ASP 77 2HB ASP 77 10.769 -0.254 -0.190 540 HB3 ASP 77 1HB ASP 77 9.036 -0.053 -0.014 541 H ILE 78 H ILE 78 7.883 1.844 -0.813 542 HA ILE 78 HA ILE 78 6.072 1.306 -3.058 543 HB ILE 78 HB ILE 78 5.374 2.391 -0.305 544 HG12 ILE 78 2HG1 ILE 78 6.087 0.084 -0.101 545 HG13 ILE 78 1HG1 ILE 78 4.351 0.183 0.132 546 HG21 ILE 78 1HG2 ILE 78 3.566 1.439 -2.528 547 HG22 ILE 78 2HG2 ILE 78 3.824 3.115 -2.045 548 HG23 ILE 78 3HG2 ILE 78 3.044 1.990 -0.935 549 HD11 ILE 78 3HD1 ILE 78 4.941 -1.764 -1.175 550 HD12 ILE 78 1HD1 ILE 78 5.769 -0.748 -2.356 551 HD13 ILE 78 2HD1 ILE 78 4.020 -0.622 -2.159 552 H PHE 79 H PHE 79 6.203 2.834 -4.505 553 HA PHE 79 HA PHE 79 6.953 5.519 -3.777 554 HB2 PHE 79 2HB PHE 79 8.056 4.678 -5.705 555 HB3 PHE 79 1HB PHE 79 6.540 4.132 -6.416 556 HD1 PHE 79 2HD PHE 79 8.204 7.267 -5.274 557 HD2 PHE 79 1HD PHE 79 5.577 5.422 -8.042 558 HE1 PHE 79 2HE PHE 79 8.014 9.385 -6.495 559 HE2 PHE 79 1HE PHE 79 5.375 7.526 -9.268 560 HZ PHE 79 HZ PHE 79 6.593 9.525 -8.500 561 H LEU 80 H LEU 80 5.522 6.886 -3.168 562 HA LEU 80 HA LEU 80 2.917 7.052 -4.542 563 HB2 LEU 80 2HB LEU 80 3.560 7.576 -1.631 564 HB3 LEU 80 1HB LEU 80 2.005 7.824 -2.397 565 HG LEU 80 HG LEU 80 3.350 5.147 -2.051 566 HD11 LEU 80 1HD1 LEU 80 2.674 6.085 0.078 567 HD12 LEU 80 2HD1 LEU 80 1.652 4.724 -0.372 568 HD13 LEU 80 3HD1 LEU 80 1.053 6.377 -0.551 569 HD21 LEU 80 3HD2 LEU 80 1.157 4.235 -2.701 570 HD22 LEU 80 1HD2 LEU 80 1.881 5.194 -3.992 571 HD23 LEU 80 2HD2 LEU 80 0.586 5.876 -3.013 572 H ASP 81 H ASP 81 2.614 8.977 -5.406 573 HA ASP 81 HA ASP 81 4.592 11.023 -4.682 574 HB2 ASP 81 2HB ASP 81 4.794 10.245 -7.027 575 HB3 ASP 81 1HB ASP 81 3.138 10.771 -7.319 576 H ASP 82 H ASP 82 3.850 12.573 -3.591 577 HA ASP 82 HA ASP 82 1.345 13.878 -4.203 578 HB2 ASP 82 2HB ASP 82 0.834 12.125 -2.453 579 HB3 ASP 82 1HB ASP 82 2.077 12.834 -1.444 580 H VAL 83 H VAL 83 1.444 16.000 -3.020 581 HA VAL 83 HA VAL 83 4.068 17.060 -3.263 582 HB VAL 83 HB VAL 83 1.536 18.352 -2.198 583 HG11 VAL 83 1HG1 VAL 83 4.153 19.658 -2.963 584 HG12 VAL 83 2HG1 VAL 83 3.517 19.495 -1.324 585 HG13 VAL 83 3HG1 VAL 83 2.671 20.498 -2.497 586 HG21 VAL 83 3HG2 VAL 83 2.909 18.579 -4.873 587 HG22 VAL 83 1HG2 VAL 83 1.463 19.458 -4.379 588 HG23 VAL 83 2HG2 VAL 83 1.417 17.700 -4.552 589 H THR 84 H THR 84 2.056 16.115 -0.498 590 HA THR 84 HA THR 84 4.093 17.285 1.234 591 HB THR 84 HB THR 84 1.440 16.270 2.234 592 HG1 THR 84 1HG THR 84 0.462 17.995 1.349 593 HG21 THR 84 3HG2 THR 84 3.240 18.600 2.983 594 HG22 THR 84 1HG2 THR 84 3.165 17.054 3.834 595 HG23 THR 84 2HG2 THR 84 1.762 18.126 3.816 596 H VAL 85 H VAL 85 3.715 14.424 -0.135 597 HA VAL 85 HA VAL 85 4.337 12.876 2.234 598 HB VAL 85 HB VAL 85 4.162 11.999 -0.690 599 HG11 VAL 85 1HG1 VAL 85 4.726 10.311 1.762 600 HG12 VAL 85 2HG1 VAL 85 5.896 10.689 0.500 601 HG13 VAL 85 3HG1 VAL 85 4.481 9.705 0.125 602 HG21 VAL 85 3HG2 VAL 85 2.501 11.269 1.713 603 HG22 VAL 85 1HG2 VAL 85 2.214 10.763 0.053 604 HG23 VAL 85 2HG2 VAL 85 2.030 12.464 0.517 605 H SER 86 H SER 86 6.246 12.661 3.010 606 HA SER 86 HA SER 86 8.463 13.969 1.694 607 HB2 SER 86 2HB SER 86 8.125 12.930 4.504 608 HB3 SER 86 1HB SER 86 9.455 13.929 3.925 609 HG SER 86 HG SER 86 7.963 15.554 3.470 610 H ARG 87 H ARG 87 10.562 12.897 2.890 611 HA ARG 87 HA ARG 87 11.646 10.847 1.470 612 HB2 ARG 87 2HB ARG 87 13.295 10.785 3.355 613 HB3 ARG 87 1HB ARG 87 12.945 12.392 2.730 614 HG2 ARG 87 2HG ARG 87 11.416 12.830 4.572 615 HG3 ARG 87 1HG ARG 87 11.663 11.209 5.191 616 HD2 ARG 87 2HD ARG 87 13.961 11.734 5.722 617 HD3 ARG 87 1HD ARG 87 13.809 13.319 4.962 618 HE ARG 87 HE ARG 87 11.886 13.506 6.772 619 HH11 ARG 87 1HH1 ARG 87 15.215 12.319 7.197 620 HH12 ARG 87 2HH1 ARG 87 15.242 12.652 8.859 621 HH21 ARG 87 1HH2 ARG 87 12.005 14.027 9.069 622 HH22 ARG 87 2HH2 ARG 87 13.409 13.665 9.934 623 H ARG 88 H ARG 88 9.525 10.520 4.252 624 HA ARG 88 HA ARG 88 9.139 7.792 3.852 625 HB2 ARG 88 2HB ARG 88 9.994 6.909 6.016 626 HB3 ARG 88 1HB ARG 88 11.291 7.477 4.986 627 HG2 ARG 88 2HG ARG 88 11.443 9.532 6.327 628 HG3 ARG 88 1HG ARG 88 10.144 8.942 7.363 629 HD2 ARG 88 2HD ARG 88 11.531 6.997 7.935 630 HD3 ARG 88 1HD ARG 88 12.834 7.643 6.944 631 HE ARG 88 HE ARG 88 11.789 8.865 9.411 632 HH11 ARG 88 1HH1 ARG 88 14.386 8.613 7.008 633 HH12 ARG 88 2HH1 ARG 88 15.564 9.315 8.011 634 HH21 ARG 88 1HH2 ARG 88 13.363 9.857 10.741 635 HH22 ARG 88 2HH2 ARG 88 14.971 10.072 10.214 636 H HIS 89 H HIS 89 7.056 7.669 4.217 637 HA HIS 89 HA HIS 89 5.900 9.454 6.236 638 HB2 HIS 89 2HB HIS 89 4.996 9.525 3.897 639 HB3 HIS 89 1HB HIS 89 4.523 7.841 4.061 640 HD2 HIS 89 2HD HIS 89 3.390 8.975 7.306 641 HE1 HIS 89 1HE HIS 89 0.332 10.216 4.698 642 HE2 HIS 89 2HE HIS 89 0.894 9.193 6.927 643 H ALA 90 H ALA 90 5.765 6.074 5.111 644 HA ALA 90 HA ALA 90 5.414 5.181 7.840 645 HB1 ALA 90 1HB ALA 90 3.438 3.825 7.275 646 HB2 ALA 90 2HB ALA 90 3.409 4.543 5.665 647 HB3 ALA 90 3HB ALA 90 3.104 5.548 7.081 648 H GLU 91 H GLU 91 5.725 2.833 7.939 649 HA GLU 91 HA GLU 91 6.945 1.782 5.514 650 HB2 GLU 91 2HB GLU 91 8.807 0.869 6.774 651 HB3 GLU 91 1HB GLU 91 8.758 2.613 6.891 652 HG2 GLU 91 2HG GLU 91 7.838 2.491 9.115 653 HG3 GLU 91 1HG GLU 91 7.751 0.732 9.008 654 H PHE 92 H PHE 92 6.952 -0.446 5.344 655 HA PHE 92 HA PHE 92 4.983 -1.816 7.040 656 HB2 PHE 92 2HB PHE 92 5.724 -2.242 4.127 657 HB3 PHE 92 1HB PHE 92 4.690 -3.326 5.041 658 HD1 PHE 92 1HD PHE 92 4.951 0.258 3.999 659 HD2 PHE 92 2HD PHE 92 2.414 -3.050 4.865 660 HE1 PHE 92 1HE PHE 92 3.008 1.554 3.231 661 HE2 PHE 92 2HE PHE 92 0.466 -1.755 4.107 662 HZ PHE 92 HZ PHE 92 0.758 0.547 3.288 663 H ARG 93 H ARG 93 6.064 -3.139 8.361 664 HA ARG 93 HA ARG 93 8.462 -4.481 7.275 665 HB2 ARG 93 2HB ARG 93 7.721 -3.969 10.171 666 HB3 ARG 93 1HB ARG 93 9.066 -4.984 9.668 667 HG2 ARG 93 2HG ARG 93 10.012 -3.025 8.496 668 HG3 ARG 93 1HG ARG 93 8.742 -2.031 9.211 669 HD2 ARG 93 2HD ARG 93 10.832 -3.624 10.696 670 HD3 ARG 93 1HD ARG 93 10.850 -1.883 10.452 671 HE ARG 93 HE ARG 93 9.012 -3.404 12.147 672 HH11 ARG 93 1HH1 ARG 93 10.189 -0.230 11.046 673 HH12 ARG 93 2HH1 ARG 93 9.812 0.599 12.473 674 HH21 ARG 93 1HH2 ARG 93 8.459 -2.266 14.161 675 HH22 ARG 93 2HH2 ARG 93 8.753 -0.608 14.325 676 H ILE 94 H ILE 94 8.435 -6.609 7.083 677 HA ILE 94 HA ILE 94 5.962 -7.905 7.892 678 HB ILE 94 HB ILE 94 7.923 -8.675 5.698 679 HG12 ILE 94 2HG1 ILE 94 5.866 -8.340 4.186 680 HG13 ILE 94 1HG1 ILE 94 5.138 -7.521 5.561 681 HG21 ILE 94 1HG2 ILE 94 5.355 -10.021 6.509 682 HG22 ILE 94 2HG2 ILE 94 6.989 -10.662 6.700 683 HG23 ILE 94 3HG2 ILE 94 6.314 -10.427 5.086 684 HD11 ILE 94 3HD1 ILE 94 7.630 -6.659 4.100 685 HD12 ILE 94 1HD1 ILE 94 6.900 -5.830 5.475 686 HD13 ILE 94 2HD1 ILE 94 6.027 -5.942 3.947 687 H ASN 95 H ASN 95 6.157 -9.236 9.515 688 HA ASN 95 HA ASN 95 8.638 -10.689 9.845 689 HB2 ASN 95 2HB ASN 95 8.771 -10.234 12.241 690 HB3 ASN 95 1HB ASN 95 8.874 -8.736 11.329 691 HD21 ASN 95 1HD2 ASN 95 7.148 -10.565 13.623 692 HD22 ASN 95 2HD2 ASN 95 5.966 -9.384 14.057 693 H GLU 96 H GLU 96 8.368 -12.686 10.330 694 HA GLU 96 HA GLU 96 7.387 -14.720 10.506 695 HB2 GLU 96 2HB GLU 96 5.757 -13.212 12.569 696 HB3 GLU 96 1HB GLU 96 5.633 -14.945 12.339 697 HG2 GLU 96 2HG GLU 96 7.032 -14.491 14.240 698 HG3 GLU 96 1HG GLU 96 8.016 -15.163 12.950 699 H GLY 97 H GLY 97 6.453 -13.070 8.426 700 HA2 GLY 97 2HA GLY 97 4.920 -13.365 6.727 701 HA3 GLY 97 1HA GLY 97 4.032 -14.470 7.760 702 H GLU 98 H GLU 98 4.394 -11.720 9.605 703 HA GLU 98 HA GLU 98 1.719 -10.830 8.877 704 HB2 GLU 98 2HB GLU 98 3.468 -10.235 11.254 705 HB3 GLU 98 1HB GLU 98 1.779 -9.785 11.068 706 HG2 GLU 98 2HG GLU 98 2.779 -12.597 11.093 707 HG3 GLU 98 1HG GLU 98 2.240 -11.755 12.531 708 H PHE 99 H PHE 99 1.348 -8.731 8.372 709 HA PHE 99 HA PHE 99 3.689 -7.159 7.531 710 HB2 PHE 99 2HB PHE 99 0.808 -6.798 6.662 711 HB3 PHE 99 1HB PHE 99 2.255 -6.189 5.877 712 HD1 PHE 99 2HD PHE 99 0.118 -9.131 6.413 713 HD2 PHE 99 1HD PHE 99 3.516 -7.603 4.355 714 HE1 PHE 99 2HE PHE 99 0.081 -11.079 4.916 715 HE2 PHE 99 1HE PHE 99 3.479 -9.554 2.855 716 HZ PHE 99 HZ PHE 99 1.763 -11.292 3.134 717 H GLU 100 H GLU 100 4.071 -5.463 9.005 718 HA GLU 100 HA GLU 100 1.659 -4.182 10.021 719 HB2 GLU 100 2HB GLU 100 2.889 -3.562 12.098 720 HB3 GLU 100 1HB GLU 100 2.590 -5.282 11.921 721 HG2 GLU 100 2HG GLU 100 4.885 -5.649 11.279 722 HG3 GLU 100 1HG GLU 100 5.191 -3.913 11.307 723 H VAL 101 H VAL 101 1.582 -2.033 10.199 724 HA VAL 101 HA VAL 101 3.502 -0.611 8.507 725 HB VAL 101 HB VAL 101 0.705 0.236 9.312 726 HG11 VAL 101 1HG1 VAL 101 0.897 1.847 7.472 727 HG12 VAL 101 2HG1 VAL 101 2.552 1.310 7.188 728 HG13 VAL 101 3HG1 VAL 101 2.131 2.099 8.708 729 HG21 VAL 101 3HG2 VAL 101 1.601 -1.046 6.734 730 HG22 VAL 101 1HG2 VAL 101 -0.007 -0.392 7.050 731 HG23 VAL 101 2HG2 VAL 101 0.577 -1.786 7.965 732 H VAL 102 H VAL 102 4.767 0.749 9.505 733 HA VAL 102 HA VAL 102 3.990 1.788 12.140 734 HB VAL 102 HB VAL 102 6.800 1.311 11.084 735 HG11 VAL 102 1HG1 VAL 102 5.882 2.239 13.808 736 HG12 VAL 102 2HG1 VAL 102 6.698 3.226 12.595 737 HG13 VAL 102 3HG1 VAL 102 7.546 1.877 13.346 738 HG21 VAL 102 3HG2 VAL 102 5.257 -0.176 13.213 739 HG22 VAL 102 1HG2 VAL 102 6.944 -0.454 12.788 740 HG23 VAL 102 2HG2 VAL 102 5.674 -0.786 11.612 741 H ASP 103 H ASP 103 3.649 3.892 12.161 742 HA ASP 103 HA ASP 103 4.197 5.480 9.839 743 HB2 ASP 103 2HB ASP 103 2.845 6.026 12.463 744 HB3 ASP 103 1HB ASP 103 3.199 7.312 11.324 745 H VAL 104 H VAL 104 5.884 6.707 9.550 746 HA VAL 104 HA VAL 104 7.465 7.435 11.908 747 HB VAL 104 HB VAL 104 9.420 7.757 10.315 748 HG11 VAL 104 1HG1 VAL 104 9.236 5.762 11.705 749 HG12 VAL 104 2HG1 VAL 104 9.928 5.363 10.134 750 HG13 VAL 104 3HG1 VAL 104 8.237 4.988 10.476 751 HG21 VAL 104 3HG2 VAL 104 9.311 6.623 8.143 752 HG22 VAL 104 1HG2 VAL 104 8.155 7.952 8.237 753 HG23 VAL 104 2HG2 VAL 104 7.601 6.287 8.407 754 H GLY 105 H GLY 105 5.557 8.534 9.395 755 HA2 GLY 105 2HA GLY 105 6.256 11.299 10.053 756 HA3 GLY 105 1HA GLY 105 5.713 10.788 8.453 757 H SER 106 H SER 106 4.663 10.268 11.810 758 HA SER 106 HA SER 106 1.923 9.981 11.166 759 HB2 SER 106 2HB SER 106 3.013 10.732 13.872 760 HB3 SER 106 1HB SER 106 1.607 9.736 13.493 761 HG SER 106 HG SER 106 2.844 8.061 13.150 762 H LEU 107 H LEU 107 3.654 12.649 10.880 763 HA LEU 107 HA LEU 107 1.994 14.623 12.135 764 HB2 LEU 107 2HB LEU 107 4.183 14.874 10.060 765 HB3 LEU 107 1HB LEU 107 3.353 16.242 10.754 766 HG LEU 107 HG LEU 107 4.271 15.470 13.010 767 HD11 LEU 107 1HD1 LEU 107 6.060 13.795 11.268 768 HD12 LEU 107 2HD1 LEU 107 4.884 13.202 12.444 769 HD13 LEU 107 3HD1 LEU 107 6.294 14.111 12.989 770 HD21 LEU 107 3HD2 LEU 107 6.452 16.509 12.617 771 HD22 LEU 107 1HD2 LEU 107 5.147 17.401 11.837 772 HD23 LEU 107 2HD2 LEU 107 6.200 16.364 10.878 773 H ASN 108 H ASN 108 2.041 12.837 9.210 774 HA ASN 108 HA ASN 108 0.353 14.703 7.767 775 HB2 ASN 108 2HB ASN 108 1.339 11.926 7.065 776 HB3 ASN 108 1HB ASN 108 0.347 12.913 6.008 777 HD21 ASN 108 1HD2 ASN 108 1.910 12.949 4.407 778 HD22 ASN 108 2HD2 ASN 108 3.351 13.891 4.541 779 H GLY 109 H GLY 109 0.027 12.048 9.862 780 HA2 GLY 109 2HA GLY 109 -1.847 11.103 10.815 781 HA3 GLY 109 1HA GLY 109 -2.807 12.297 9.960 782 H THR 110 H THR 110 -1.008 9.271 9.400 783 HA THR 110 HA THR 110 -2.349 8.615 6.989 784 HB THR 110 HB THR 110 -1.068 6.722 8.965 785 HG1 THR 110 1HG THR 110 0.759 7.428 8.469 786 HG21 THR 110 3HG2 THR 110 -1.302 6.693 5.951 787 HG22 THR 110 1HG2 THR 110 -2.210 5.676 7.066 788 HG23 THR 110 2HG2 THR 110 -0.458 5.483 6.913 789 H TYR 111 H TYR 111 -4.311 7.622 6.800 790 HA TYR 111 HA TYR 111 -5.634 6.931 9.341 791 HB2 TYR 111 2HB TYR 111 -6.947 7.619 6.712 792 HB3 TYR 111 1HB TYR 111 -7.751 7.290 8.234 793 HD1 TYR 111 2HD TYR 111 -7.043 8.879 10.217 794 HD2 TYR 111 1HD TYR 111 -6.595 9.803 6.093 795 HE1 TYR 111 2HE TYR 111 -6.993 11.273 10.763 796 HE2 TYR 111 1HE TYR 111 -6.544 12.197 6.623 797 HH TYR 111 HH TYR 111 -6.070 13.339 9.705 798 H VAL 112 H VAL 112 -5.992 4.867 9.666 799 HA VAL 112 HA VAL 112 -6.301 3.125 7.328 800 HB VAL 112 HB VAL 112 -5.581 2.387 10.200 801 HG11 VAL 112 1HG1 VAL 112 -5.319 0.107 9.385 802 HG12 VAL 112 2HG1 VAL 112 -5.774 0.617 7.763 803 HG13 VAL 112 3HG1 VAL 112 -6.959 0.678 9.061 804 HG21 VAL 112 3HG2 VAL 112 -3.409 1.709 9.236 805 HG22 VAL 112 1HG2 VAL 112 -3.718 3.434 9.035 806 HG23 VAL 112 2HG2 VAL 112 -3.931 2.338 7.675 807 H ASN 113 H ASN 113 -8.307 2.619 6.960 808 HA ASN 113 HA ASN 113 -10.584 2.575 7.093 809 HB2 ASN 113 2HB ASN 113 -9.653 0.773 8.898 810 HB3 ASN 113 1HB ASN 113 -10.584 1.819 9.968 811 HD21 ASN 113 1HD2 ASN 113 -10.655 -0.414 7.404 812 HD22 ASN 113 2HD2 ASN 113 -12.371 -0.703 7.365 813 H ARG 114 H ARG 114 -9.456 4.970 7.453 814 HA ARG 114 HA ARG 114 -9.862 7.101 7.877 815 HB2 ARG 114 2HB ARG 114 -12.414 5.923 8.767 816 HB3 ARG 114 1HB ARG 114 -12.086 7.601 9.174 817 HG2 ARG 114 2HG ARG 114 -11.834 6.531 6.395 818 HG3 ARG 114 1HG ARG 114 -13.350 7.165 7.025 819 HD2 ARG 114 2HD ARG 114 -10.712 8.639 6.737 820 HD3 ARG 114 1HD ARG 114 -12.201 8.946 5.845 821 HE ARG 114 HE ARG 114 -13.033 9.316 8.322 822 HH11 ARG 114 1HH1 ARG 114 -10.232 10.748 6.646 823 HH12 ARG 114 2HH1 ARG 114 -10.128 12.064 7.738 824 HH21 ARG 114 1HH2 ARG 114 -12.845 11.121 9.726 825 HH22 ARG 114 2HH2 ARG 114 -11.629 12.294 9.500 826 H GLU 115 H GLU 115 -8.804 5.184 10.256 827 HA GLU 115 HA GLU 115 -8.855 7.419 12.155 828 HB2 GLU 115 2HB GLU 115 -8.520 4.467 12.717 829 HB3 GLU 115 1HB GLU 115 -8.366 5.733 13.923 830 HG2 GLU 115 2HG GLU 115 -10.856 5.074 12.363 831 HG3 GLU 115 1HG GLU 115 -10.533 4.645 14.042 832 HA PRO 116 HA PRO 116 -4.535 7.911 11.358 833 HB2 PRO 116 2HB PRO 116 -3.807 9.140 13.701 834 HB3 PRO 116 1HB PRO 116 -4.617 9.971 12.370 835 HG2 PRO 116 2HG PRO 116 -5.785 8.842 14.881 836 HG3 PRO 116 1HG PRO 116 -6.140 10.380 14.073 837 HD2 PRO 116 2HD PRO 116 -7.762 8.256 13.847 838 HD3 PRO 116 1HD PRO 116 -7.501 9.377 12.494 839 H ARG 117 H ARG 117 -2.564 6.951 11.837 840 HA ARG 117 HA ARG 117 -2.654 5.025 14.037 841 HB2 ARG 117 2HB ARG 117 -1.585 4.575 11.275 842 HB3 ARG 117 1HB ARG 117 -1.226 3.519 12.632 843 HG2 ARG 117 2HG ARG 117 -3.967 4.157 11.615 844 HG3 ARG 117 1HG ARG 117 -3.053 2.686 11.241 845 HD2 ARG 117 2HD ARG 117 -3.040 2.053 13.525 846 HD3 ARG 117 1HD ARG 117 -3.786 3.535 14.058 847 HE ARG 117 HE ARG 117 -5.037 1.391 12.495 848 HH11 ARG 117 1HH1 ARG 117 -5.451 4.397 14.394 849 HH12 ARG 117 2HH1 ARG 117 -7.053 4.039 14.813 850 HH21 ARG 117 1HH2 ARG 117 -7.298 0.982 13.061 851 HH22 ARG 117 2HH2 ARG 117 -8.117 2.090 14.045 852 H ASN 118 H ASN 118 -0.800 4.208 14.775 853 HA ASN 118 HA ASN 118 1.527 6.040 14.802 854 HB2 ASN 118 2HB ASN 118 0.552 4.083 16.928 855 HB3 ASN 118 1HB ASN 118 2.025 5.022 17.042 856 HD21 ASN 118 1HD2 ASN 118 1.297 5.854 18.995 857 HD22 ASN 118 2HD2 ASN 118 0.087 7.072 19.102 858 H ALA 119 H ALA 119 0.417 2.723 15.246 859 HA ALA 119 HA ALA 119 2.151 1.573 13.316 860 HB1 ALA 119 1HB ALA 119 2.586 0.932 16.258 861 HB2 ALA 119 2HB ALA 119 3.762 1.696 15.189 862 HB3 ALA 119 3HB ALA 119 3.277 0.023 14.915 863 H GLN 120 H GLN 120 1.122 -0.292 12.616 864 HA GLN 120 HA GLN 120 -0.870 -1.522 14.329 865 HB2 GLN 120 2HB GLN 120 -1.781 0.556 12.981 866 HB3 GLN 120 1HB GLN 120 -1.888 -0.628 11.689 867 HG2 GLN 120 2HG GLN 120 -2.974 -1.961 13.812 868 HG3 GLN 120 1HG GLN 120 -3.540 -0.314 14.052 869 HE21 GLN 120 1HE2 GLN 120 -3.642 -3.109 12.077 870 HE22 GLN 120 2HE2 GLN 120 -4.909 -2.590 11.060 871 H VAL 121 H VAL 121 -1.528 -3.615 13.574 872 HA VAL 121 HA VAL 121 0.308 -4.734 11.592 873 HB VAL 121 HB VAL 121 -1.745 -6.182 13.326 874 HG11 VAL 121 1HG1 VAL 121 0.630 -7.243 11.797 875 HG12 VAL 121 2HG1 VAL 121 -1.064 -7.431 11.348 876 HG13 VAL 121 3HG1 VAL 121 -0.451 -8.196 12.813 877 HG21 VAL 121 3HG2 VAL 121 -0.107 -5.087 14.768 878 HG22 VAL 121 1HG2 VAL 121 1.205 -5.822 13.846 879 HG23 VAL 121 2HG2 VAL 121 0.113 -6.836 14.789 880 H MET 122 H MET 122 -0.495 -5.232 9.567 881 HA MET 122 HA MET 122 -3.078 -3.982 9.217 882 HB2 MET 122 2HB MET 122 -1.045 -3.240 7.938 883 HB3 MET 122 1HB MET 122 -1.192 -4.730 7.016 884 HG2 MET 122 2HG MET 122 -2.246 -2.733 5.962 885 HG3 MET 122 1HG MET 122 -3.322 -4.117 6.182 886 HE1 MET 122 3HE MET 122 -3.331 -0.515 9.094 887 HE2 MET 122 1HE MET 122 -2.188 -0.660 7.759 888 HE3 MET 122 2HE MET 122 -2.106 -1.778 9.122 889 H GLN 123 H GLN 123 -4.808 -4.805 8.410 890 HA GLN 123 HA GLN 123 -4.848 -7.681 8.030 891 HB2 GLN 123 2HB GLN 123 -7.316 -7.449 8.495 892 HB3 GLN 123 1HB GLN 123 -6.250 -7.108 9.850 893 HG2 GLN 123 2HG GLN 123 -6.547 -4.736 9.524 894 HG3 GLN 123 1HG GLN 123 -7.525 -5.038 8.089 895 HE21 GLN 123 1HE2 GLN 123 -9.209 -3.874 9.042 896 HE22 GLN 123 2HE2 GLN 123 -10.220 -4.564 10.256 897 H THR 124 H THR 124 -5.733 -8.543 6.312 898 HA THR 124 HA THR 124 -5.713 -7.212 3.877 899 HB THR 124 HB THR 124 -5.264 -9.567 4.020 900 HG1 THR 124 1HG THR 124 -7.135 -10.342 2.599 901 HG21 THR 124 3HG2 THR 124 -6.664 -10.178 5.916 902 HG22 THR 124 1HG2 THR 124 -6.996 -11.240 4.549 903 HG23 THR 124 2HG2 THR 124 -8.118 -9.941 4.949 904 H GLY 125 H GLY 125 -7.184 -6.070 2.785 905 HA2 GLY 125 2HA GLY 125 -9.351 -5.689 1.930 906 HA3 GLY 125 1HA GLY 125 -10.026 -6.382 3.399 907 H ASP 126 H ASP 126 -7.642 -4.458 4.478 908 HA ASP 126 HA ASP 126 -9.567 -2.379 5.136 909 HB2 ASP 126 2HB ASP 126 -7.813 -3.586 6.743 910 HB3 ASP 126 1HB ASP 126 -6.801 -2.241 6.217 911 H GLU 127 H GLU 127 -8.950 -0.098 5.061 912 HA GLU 127 HA GLU 127 -7.386 0.400 2.626 913 HB2 GLU 127 2HB GLU 127 -8.807 2.366 2.186 914 HB3 GLU 127 1HB GLU 127 -9.734 0.877 2.203 915 HG2 GLU 127 2HG GLU 127 -10.613 1.395 4.386 916 HG3 GLU 127 1HG GLU 127 -9.566 2.808 4.509 917 H ILE 128 H ILE 128 -5.891 1.864 2.629 918 HA ILE 128 HA ILE 128 -5.162 3.169 5.183 919 HB ILE 128 HB ILE 128 -3.297 2.571 2.885 920 HG12 ILE 128 2HG1 ILE 128 -4.222 0.388 3.511 921 HG13 ILE 128 1HG1 ILE 128 -2.545 0.510 4.015 922 HG21 ILE 128 1HG2 ILE 128 -1.555 2.691 4.598 923 HG22 ILE 128 2HG2 ILE 128 -2.787 2.996 5.821 924 HG23 ILE 128 3HG2 ILE 128 -2.523 4.166 4.531 925 HD11 ILE 128 3HD1 ILE 128 -4.945 0.849 5.782 926 HD12 ILE 128 1HD1 ILE 128 -3.257 0.915 6.295 927 HD13 ILE 128 2HD1 ILE 128 -3.935 -0.593 5.672 928 H GLN 129 H GLN 129 -5.330 5.372 4.986 929 HA GLN 129 HA GLN 129 -5.112 6.469 2.291 930 HB2 GLN 129 2HB GLN 129 -6.228 7.826 4.741 931 HB3 GLN 129 1HB GLN 129 -6.135 8.522 3.135 932 HG2 GLN 129 2HG GLN 129 -7.580 6.553 2.406 933 HG3 GLN 129 1HG GLN 129 -7.904 6.332 4.128 934 HE21 GLN 129 1HE2 GLN 129 -8.928 8.023 5.261 935 HE22 GLN 129 2HE2 GLN 129 -9.865 9.207 4.375 936 H ILE 130 H ILE 130 -3.308 7.166 1.787 937 HA ILE 130 HA ILE 130 -1.566 8.310 3.821 938 HB ILE 130 HB ILE 130 -0.894 6.794 1.283 939 HG12 ILE 130 2HG1 ILE 130 -0.137 6.407 4.188 940 HG13 ILE 130 1HG1 ILE 130 -1.265 5.431 3.257 941 HG21 ILE 130 1HG2 ILE 130 1.031 8.427 2.937 942 HG22 ILE 130 2HG2 ILE 130 0.538 8.765 1.280 943 HG23 ILE 130 3HG2 ILE 130 1.482 7.320 1.644 944 HD11 ILE 130 3HD1 ILE 130 0.853 4.294 3.578 945 HD12 ILE 130 1HD1 ILE 130 1.705 5.639 2.820 946 HD13 ILE 130 2HD1 ILE 130 0.603 4.647 1.866 947 H GLY 131 H GLY 131 -1.238 10.347 3.687 948 HA2 GLY 131 2HA GLY 131 -0.879 12.420 2.753 949 HA3 GLY 131 1HA GLY 131 -1.187 11.727 1.165 950 H LYS 132 H LYS 132 -3.251 11.384 0.490 951 HA LYS 132 HA LYS 132 -5.551 12.135 1.967 952 HB2 LYS 132 2HB LYS 132 -6.170 14.086 0.461 953 HB3 LYS 132 1HB LYS 132 -4.910 14.394 1.640 954 HG2 LYS 132 2HG LYS 132 -3.229 14.063 -0.187 955 HG3 LYS 132 1HG LYS 132 -4.575 13.962 -1.328 956 HD2 LYS 132 2HD LYS 132 -5.316 16.201 -0.663 957 HD3 LYS 132 1HD LYS 132 -4.009 16.285 0.508 958 HE2 LYS 132 2HE LYS 132 -3.640 16.022 -2.472 959 HE3 LYS 132 1HE LYS 132 -3.530 17.527 -1.567 960 HZ1 LYS 132 3HZ LYS 132 -1.680 15.181 -1.344 961 HZ2 LYS 132 1HZ LYS 132 -1.668 16.512 -0.291 962 HZ3 LYS 132 2HZ LYS 132 -1.364 16.707 -1.916 963 H PHE 133 H PHE 133 -4.432 9.974 0.291 964 HA PHE 133 HA PHE 133 -6.816 9.588 -1.239 965 HB2 PHE 133 2HB PHE 133 -5.501 8.628 -3.114 966 HB3 PHE 133 1HB PHE 133 -5.318 10.370 -2.968 967 HD1 PHE 133 2HD PHE 133 -3.158 11.275 -2.097 968 HD2 PHE 133 1HD PHE 133 -3.685 7.147 -2.978 969 HE1 PHE 133 2HE PHE 133 -0.729 10.990 -2.172 970 HE2 PHE 133 1HE PHE 133 -1.248 6.852 -3.069 971 HZ PHE 133 HZ PHE 133 0.243 8.781 -2.670 972 H ARG 134 H ARG 134 -6.882 7.160 -1.910 973 HA ARG 134 HA ARG 134 -5.983 5.770 0.517 974 HB2 ARG 134 2HB ARG 134 -7.965 4.302 0.350 975 HB3 ARG 134 1HB ARG 134 -8.340 5.988 0.677 976 HG2 ARG 134 2HG ARG 134 -9.127 6.337 -1.510 977 HG3 ARG 134 1HG ARG 134 -8.460 4.802 -2.069 978 HD2 ARG 134 2HD ARG 134 -10.944 4.814 -1.684 979 HD3 ARG 134 1HD ARG 134 -10.058 3.557 -0.835 980 HE ARG 134 HE ARG 134 -10.636 4.517 1.173 981 HH11 ARG 134 1HH1 ARG 134 -11.330 6.935 -1.312 982 HH12 ARG 134 2HH1 ARG 134 -12.390 7.803 -0.292 983 HH21 ARG 134 1HH2 ARG 134 -11.990 5.599 2.435 984 HH22 ARG 134 2HH2 ARG 134 -12.866 7.000 1.936 985 H LEU 135 H LEU 135 -5.329 3.815 0.548 986 HA LEU 135 HA LEU 135 -4.703 2.382 -1.945 987 HB2 LEU 135 2HB LEU 135 -3.324 2.139 0.721 988 HB3 LEU 135 1HB LEU 135 -2.777 1.548 -0.831 989 HG LEU 135 HG LEU 135 -2.943 4.419 -0.028 990 HD11 LEU 135 1HD1 LEU 135 -0.480 4.308 0.045 991 HD12 LEU 135 2HD1 LEU 135 -0.562 2.577 -0.284 992 HD13 LEU 135 3HD1 LEU 135 -1.218 3.221 1.224 993 HD21 LEU 135 3HD2 LEU 135 -1.772 3.103 -2.454 994 HD22 LEU 135 1HD2 LEU 135 -1.571 4.809 -2.038 995 HD23 LEU 135 2HD2 LEU 135 -3.179 4.174 -2.387 996 H VAL 136 H VAL 136 -5.374 0.290 -1.874 997 HA VAL 136 HA VAL 136 -6.686 -0.585 0.617 998 HB VAL 136 HB VAL 136 -7.288 -1.538 -2.213 999 HG11 VAL 136 1HG1 VAL 136 -9.129 -2.820 -1.192 1000 HG12 VAL 136 2HG1 VAL 136 -8.575 -2.329 0.408 1001 HG13 VAL 136 3HG1 VAL 136 -7.559 -3.359 -0.599 1002 HG21 VAL 136 3HG2 VAL 136 -8.165 0.692 -1.736 1003 HG22 VAL 136 1HG2 VAL 136 -8.956 0.078 -0.287 1004 HG23 VAL 136 2HG2 VAL 136 -9.472 -0.485 -1.878 1005 H PHE 137 H PHE 137 -5.819 -2.171 1.678 1006 HA PHE 137 HA PHE 137 -3.549 -3.604 0.550 1007 HB2 PHE 137 2HB PHE 137 -3.394 -2.501 2.787 1008 HB3 PHE 137 1HB PHE 137 -4.708 -3.517 3.352 1009 HD1 PHE 137 1HD PHE 137 -1.191 -3.489 2.266 1010 HD2 PHE 137 2HD PHE 137 -4.307 -5.737 4.082 1011 HE1 PHE 137 1HE PHE 137 0.452 -5.155 3.020 1012 HE2 PHE 137 2HE PHE 137 -2.672 -7.412 4.832 1013 HZ PHE 137 HZ PHE 137 -0.290 -7.118 4.303 1014 H LEU 138 H LEU 138 -3.960 -5.526 -0.363 1015 HA LEU 138 HA LEU 138 -6.307 -7.053 0.568 1016 HB2 LEU 138 2HB LEU 138 -6.550 -5.688 -1.616 1017 HB3 LEU 138 1HB LEU 138 -5.395 -6.790 -2.307 1018 HG LEU 138 HG LEU 138 -7.697 -7.271 -2.991 1019 HD11 LEU 138 1HD1 LEU 138 -7.803 -9.655 -2.532 1020 HD12 LEU 138 2HD1 LEU 138 -6.560 -9.467 -1.292 1021 HD13 LEU 138 3HD1 LEU 138 -6.181 -9.132 -2.981 1022 HD21 LEU 138 3HD2 LEU 138 -8.872 -6.490 -1.031 1023 HD22 LEU 138 1HD2 LEU 138 -8.224 -7.830 -0.083 1024 HD23 LEU 138 2HD2 LEU 138 -9.336 -8.148 -1.413 1025 H ALA 139 H ALA 139 -5.747 -9.185 1.011 1026 HA ALA 139 HA ALA 139 -3.044 -9.952 0.330 1027 HB1 ALA 139 1HB ALA 139 -5.106 -11.439 1.948 1028 HB2 ALA 139 2HB ALA 139 -3.820 -10.414 2.592 1029 HB3 ALA 139 3HB ALA 139 -3.418 -11.909 1.747 1030 H GLY 140 H GLY 140 -2.601 -11.000 -1.421 1031 HA2 GLY 140 2HA GLY 140 -3.087 -13.119 -2.677 1032 HA3 GLY 140 1HA GLY 140 -4.739 -12.528 -2.764 1033 HA PRO 141 HA PRO 141 -2.167 -9.698 -5.746 1034 HB2 PRO 141 2HB PRO 141 0.418 -11.058 -5.995 1035 HB3 PRO 141 1HB PRO 141 0.098 -9.359 -5.638 1036 HG2 PRO 141 2HG PRO 141 1.090 -11.014 -3.771 1037 HG3 PRO 141 1HG PRO 141 -0.060 -9.731 -3.355 1038 HD2 PRO 141 2HD PRO 141 -0.568 -12.648 -3.815 1039 HD3 PRO 141 1HD PRO 141 -1.141 -11.613 -2.481 1040 H ALA 142 H ALA 142 -1.672 -10.008 -8.036 1041 HA ALA 142 HA ALA 142 -2.830 -12.458 -9.023 1042 HB1 ALA 142 1HB ALA 142 -1.864 -10.002 -10.493 1043 HB2 ALA 142 2HB ALA 142 -3.514 -10.291 -9.939 1044 HB3 ALA 142 3HB ALA 142 -2.811 -11.316 -11.190 1045 H GLU 143 H GLU 143 -0.496 -13.099 -7.851 1046 HA GLU 143 HA GLU 143 1.613 -13.231 -9.742 1047 HB2 GLU 143 2HB GLU 143 1.179 -14.166 -6.945 1048 HB3 GLU 143 1HB GLU 143 2.582 -14.657 -7.875 1049 HG2 GLU 143 2HG GLU 143 1.796 -11.803 -7.308 1050 HG3 GLU 143 1HG GLU 143 3.004 -12.703 -6.391 Start of MODEL 4 1 H1 MET 1 1HT MET 1 26.247 -13.615 7.222 2 H2 MET 1 2HT MET 1 25.861 -15.268 7.087 3 H3 MET 1 3HT MET 1 27.394 -14.681 6.622 4 HA MET 1 HA MET 1 26.392 -14.505 9.373 5 HB2 MET 1 2HB MET 1 28.396 -16.429 8.150 6 HB3 MET 1 1HB MET 1 28.157 -16.204 9.872 7 HG2 MET 1 2HG MET 1 27.065 -18.218 9.188 8 HG3 MET 1 1HG MET 1 25.835 -17.030 9.604 9 HE1 MET 1 2HE MET 1 24.023 -18.561 8.417 10 HE2 MET 1 3HE MET 1 25.266 -19.728 7.958 11 HE3 MET 1 1HE MET 1 24.147 -19.110 6.744 12 H SER 2 H SER 2 28.053 -13.745 10.817 13 HA SER 2 HA SER 2 29.395 -12.095 11.400 14 HB2 SER 2 2HB SER 2 31.788 -12.316 10.351 15 HB3 SER 2 1HB SER 2 31.147 -13.631 11.328 16 HG SER 2 HG SER 2 30.720 -13.654 8.551 17 H ASP 3 H ASP 3 27.597 -11.400 9.312 18 HA ASP 3 HA ASP 3 29.051 -9.183 8.114 19 HB2 ASP 3 2HB ASP 3 27.183 -8.985 6.482 20 HB3 ASP 3 1HB ASP 3 27.927 -10.572 6.412 21 H ASN 4 H ASN 4 28.733 -7.316 8.933 22 HA ASN 4 HA ASN 4 26.706 -7.018 11.014 23 HB2 ASN 4 2HB ASN 4 29.056 -6.645 11.656 24 HB3 ASN 4 1HB ASN 4 29.211 -5.427 10.404 25 HD21 ASN 4 1HD2 ASN 4 28.498 -3.361 10.810 26 HD22 ASN 4 2HD2 ASN 4 27.877 -2.865 12.340 27 H ASN 5 H ASN 5 25.030 -5.631 10.758 28 HA ASN 5 HA ASN 5 24.642 -4.315 8.258 29 HB2 ASN 5 2HB ASN 5 23.107 -4.106 10.869 30 HB3 ASN 5 1HB ASN 5 22.662 -3.220 9.423 31 HD21 ASN 5 1HD2 ASN 5 20.681 -4.195 9.290 32 HD22 ASN 5 2HD2 ASN 5 20.460 -5.841 8.846 33 H GLY 6 H GLY 6 25.150 -2.338 7.672 34 HA2 GLY 6 2HA GLY 6 26.922 -0.798 9.236 35 HA3 GLY 6 1HA GLY 6 26.212 -0.331 7.699 36 H THR 7 H THR 7 26.542 1.582 9.529 37 HA THR 7 HA THR 7 24.265 1.922 11.202 38 HB THR 7 HB THR 7 26.389 3.917 10.380 39 HG1 THR 7 1HG THR 7 26.548 2.475 12.779 40 HG21 THR 7 3HG2 THR 7 25.891 4.931 12.562 41 HG22 THR 7 1HG2 THR 7 24.675 3.690 12.870 42 HG23 THR 7 2HG2 THR 7 24.440 4.852 11.565 43 HA PRO 8 HA PRO 8 21.998 3.667 7.703 44 HB2 PRO 8 2HB PRO 8 19.628 3.960 8.953 45 HB3 PRO 8 1HB PRO 8 20.217 2.372 8.442 46 HG2 PRO 8 2HG PRO 8 20.259 3.630 11.151 47 HG3 PRO 8 1HG PRO 8 19.887 1.958 10.696 48 HD2 PRO 8 2HD PRO 8 22.307 2.761 11.683 49 HD3 PRO 8 1HD PRO 8 22.091 1.362 10.610 50 H GLU 9 H GLU 9 21.930 5.756 7.106 51 HA GLU 9 HA GLU 9 22.107 7.764 9.218 52 HB2 GLU 9 2HB GLU 9 22.711 8.054 6.275 53 HB3 GLU 9 1HB GLU 9 23.069 9.219 7.543 54 HG2 GLU 9 2HG GLU 9 24.608 7.626 8.576 55 HG3 GLU 9 1HG GLU 9 24.261 6.471 7.294 56 HA PRO 10 HA PRO 10 17.891 8.685 8.051 57 HB2 PRO 10 2HB PRO 10 17.360 10.421 10.031 58 HB3 PRO 10 1HB PRO 10 17.505 8.686 10.340 59 HG2 PRO 10 2HG PRO 10 19.503 10.859 10.801 60 HG3 PRO 10 1HG PRO 10 19.093 9.478 11.833 61 HD2 PRO 10 2HD PRO 10 21.274 9.555 10.176 62 HD3 PRO 10 1HD PRO 10 20.469 8.058 10.688 63 H GLN 11 H GLN 11 16.731 10.480 7.243 64 HA GLN 11 HA GLN 11 18.345 12.844 6.587 65 HB2 GLN 11 2HB GLN 11 16.266 11.419 4.926 66 HB3 GLN 11 1HB GLN 11 16.950 12.981 4.520 67 HG2 GLN 11 2HG GLN 11 19.159 11.959 4.324 68 HG3 GLN 11 1HG GLN 11 18.466 10.393 4.735 69 HE21 GLN 11 1HE2 GLN 11 16.034 10.764 3.211 70 HE22 GLN 11 2HE2 GLN 11 16.482 10.654 1.549 71 H VAL 12 H VAL 12 17.409 14.719 7.176 72 HA VAL 12 HA VAL 12 14.510 14.766 7.539 73 HB VAL 12 HB VAL 12 16.385 16.066 9.544 74 HG11 VAL 12 1HG1 VAL 12 13.392 15.755 9.539 75 HG12 VAL 12 2HG1 VAL 12 14.301 17.245 9.285 76 HG13 VAL 12 3HG1 VAL 12 14.344 16.436 10.856 77 HG21 VAL 12 3HG2 VAL 12 16.478 13.632 9.858 78 HG22 VAL 12 1HG2 VAL 12 14.719 13.567 9.932 79 HG23 VAL 12 2HG2 VAL 12 15.622 14.397 11.196 80 H GLU 13 H GLU 13 13.701 16.362 6.433 81 HA GLU 13 HA GLU 13 15.239 18.783 5.935 82 HB2 GLU 13 2HB GLU 13 13.535 17.245 3.947 83 HB3 GLU 13 1HB GLU 13 14.298 18.799 3.651 84 HG2 GLU 13 2HG GLU 13 16.481 17.823 3.754 85 HG3 GLU 13 1HG GLU 13 15.817 16.278 4.283 86 H THR 14 H THR 14 13.504 20.495 5.191 87 HA THR 14 HA THR 14 11.695 20.553 7.344 88 HB THR 14 HB THR 14 11.766 22.392 4.949 89 HG1 THR 14 1HG THR 14 13.735 22.725 5.621 90 HG21 THR 14 3HG2 THR 14 10.978 24.059 6.589 91 HG22 THR 14 1HG2 THR 14 10.984 22.823 7.847 92 HG23 THR 14 2HG2 THR 14 9.860 22.699 6.495 93 H TPO 15 H TPO 15 10.023 19.198 7.324 94 HA TPO 15 HA TPO 15 8.243 19.084 5.009 95 HB TPO 15 HB TPO 15 8.043 17.503 7.586 96 HG21 TPO 15 1HG2 TPO 15 6.064 17.536 6.109 97 HG22 TPO 15 2HG2 TPO 15 6.811 15.940 6.176 98 HG23 TPO 15 3HG2 TPO 15 7.070 16.973 4.772 99 H SER 16 H SER 16 6.517 20.447 5.080 100 HA SER 16 HA SER 16 5.766 21.680 7.586 101 HB2 SER 16 2HB SER 16 5.983 23.072 5.532 102 HB3 SER 16 1HB SER 16 4.723 22.106 4.768 103 HG SER 16 HG SER 16 4.343 23.541 7.176 104 H VAL 17 H VAL 17 3.716 21.465 8.479 105 HA VAL 17 HA VAL 17 2.377 18.965 7.911 106 HB VAL 17 HB VAL 17 1.732 21.082 9.990 107 HG11 VAL 17 1HG1 VAL 17 0.828 18.209 9.793 108 HG12 VAL 17 2HG1 VAL 17 -0.165 19.637 9.522 109 HG13 VAL 17 3HG1 VAL 17 0.479 19.305 11.131 110 HG21 VAL 17 3HG2 VAL 17 2.871 19.622 11.611 111 HG22 VAL 17 1HG2 VAL 17 3.971 20.203 10.361 112 HG23 VAL 17 2HG2 VAL 17 3.354 18.552 10.293 113 H PHE 18 H PHE 18 0.823 18.938 6.413 114 HA PHE 18 HA PHE 18 -0.704 21.393 6.027 115 HB2 PHE 18 2HB PHE 18 -0.954 20.867 3.677 116 HB3 PHE 18 1HB PHE 18 0.751 20.797 4.072 117 HD1 PHE 18 2HD PHE 18 1.545 18.285 4.769 118 HD2 PHE 18 1HD PHE 18 -1.776 19.252 2.284 119 HE1 PHE 18 2HE PHE 18 1.654 16.058 3.754 120 HE2 PHE 18 1HE PHE 18 -1.666 17.019 1.266 121 HZ PHE 18 HZ PHE 18 0.050 15.419 1.999 122 H ARG 19 H ARG 19 -2.873 21.256 6.199 123 HA ARG 19 HA ARG 19 -3.784 18.640 6.965 124 HB2 ARG 19 2HB ARG 19 -5.903 19.663 7.687 125 HB3 ARG 19 1HB ARG 19 -4.515 20.385 8.466 126 HG2 ARG 19 2HG ARG 19 -4.739 22.377 7.162 127 HG3 ARG 19 1HG ARG 19 -5.959 21.616 6.130 128 HD2 ARG 19 2HD ARG 19 -6.242 22.149 9.089 129 HD3 ARG 19 1HD ARG 19 -6.997 23.087 7.801 130 HE ARG 19 HE ARG 19 -7.944 20.709 7.220 131 HH11 ARG 19 1HH1 ARG 19 -7.666 22.127 10.463 132 HH12 ARG 19 2HH1 ARG 19 -9.027 21.289 11.072 133 HH21 ARG 19 1HH2 ARG 19 -9.774 19.563 8.104 134 HH22 ARG 19 2HH2 ARG 19 -10.218 19.832 9.744 135 H ALA 20 H ALA 20 -3.867 17.490 5.312 136 HA ALA 20 HA ALA 20 -5.201 18.228 2.885 137 HB1 ALA 20 1HB ALA 20 -4.237 15.509 3.831 138 HB2 ALA 20 2HB ALA 20 -3.289 16.669 2.908 139 HB3 ALA 20 3HB ALA 20 -4.714 15.930 2.185 140 H ASP 21 H ASP 21 -6.506 15.555 2.621 141 HA ASP 21 HA ASP 21 -8.978 16.370 3.940 142 HB2 ASP 21 2HB ASP 21 -8.524 14.335 1.751 143 HB3 ASP 21 1HB ASP 21 -10.083 14.876 2.355 144 H LEU 22 H LEU 22 -6.547 14.610 4.951 145 HA LEU 22 HA LEU 22 -7.413 12.005 5.109 146 HB2 LEU 22 2HB LEU 22 -5.604 11.627 6.710 147 HB3 LEU 22 1HB LEU 22 -5.096 12.500 5.296 148 HG LEU 22 HG LEU 22 -3.864 13.413 6.981 149 HD11 LEU 22 1HD1 LEU 22 -4.508 15.684 7.449 150 HD12 LEU 22 2HD1 LEU 22 -6.079 15.351 6.721 151 HD13 LEU 22 3HD1 LEU 22 -4.609 15.207 5.758 152 HD21 LEU 22 3HD2 LEU 22 -4.628 14.133 9.201 153 HD22 LEU 22 1HD2 LEU 22 -4.884 12.410 8.918 154 HD23 LEU 22 2HD2 LEU 22 -6.238 13.532 8.813 155 H LEU 23 H LEU 23 -7.815 14.486 7.632 156 HA LEU 23 HA LEU 23 -8.905 12.569 9.462 157 HB2 LEU 23 2HB LEU 23 -7.677 14.632 10.186 158 HB3 LEU 23 1HB LEU 23 -8.989 15.604 9.578 159 HG LEU 23 HG LEU 23 -9.402 13.629 11.825 160 HD11 LEU 23 1HD1 LEU 23 -8.604 16.540 12.007 161 HD12 LEU 23 2HD1 LEU 23 -7.602 15.163 12.466 162 HD13 LEU 23 3HD1 LEU 23 -9.078 15.517 13.360 163 HD21 LEU 23 3HD2 LEU 23 -11.271 15.109 12.388 164 HD22 LEU 23 1HD2 LEU 23 -11.425 14.522 10.732 165 HD23 LEU 23 2HD2 LEU 23 -10.859 16.164 11.036 166 H LYS 24 H LYS 24 -10.165 14.943 7.271 167 HA LYS 24 HA LYS 24 -12.874 14.595 8.015 168 HB2 LYS 24 2HB LYS 24 -12.027 16.602 6.814 169 HB3 LYS 24 1HB LYS 24 -11.766 15.610 5.390 170 HG2 LYS 24 2HG LYS 24 -13.812 16.896 5.197 171 HG3 LYS 24 1HG LYS 24 -14.161 15.167 5.240 172 HD2 LYS 24 2HD LYS 24 -14.742 15.346 7.619 173 HD3 LYS 24 1HD LYS 24 -14.379 17.073 7.578 174 HE2 LYS 24 2HE LYS 24 -16.172 17.368 5.911 175 HE3 LYS 24 1HE LYS 24 -16.523 15.646 6.016 176 HZ1 LYS 24 3HZ LYS 24 -17.987 17.024 7.372 177 HZ2 LYS 24 1HZ LYS 24 -16.679 17.526 8.302 178 HZ3 LYS 24 2HZ LYS 24 -17.157 15.902 8.309 179 H GLU 25 H GLU 25 -10.751 13.012 5.743 180 HA GLU 25 HA GLU 25 -12.643 11.586 4.259 181 HB2 GLU 25 2HB GLU 25 -10.217 11.896 3.665 182 HB3 GLU 25 1HB GLU 25 -9.823 10.727 4.917 183 HG2 GLU 25 2HG GLU 25 -9.787 9.599 2.826 184 HG3 GLU 25 1HG GLU 25 -11.217 9.061 3.702 185 H MET 26 H MET 26 -10.904 10.807 7.257 186 HA MET 26 HA MET 26 -11.966 8.187 7.349 187 HB2 MET 26 2HB MET 26 -11.124 7.958 9.611 188 HB3 MET 26 1HB MET 26 -9.928 8.761 8.622 189 HG2 MET 26 2HG MET 26 -9.840 9.834 10.693 190 HG3 MET 26 1HG MET 26 -10.752 10.933 9.672 191 HE1 MET 26 3HE MET 26 -10.651 11.161 12.851 192 HE2 MET 26 1HE MET 26 -12.344 11.499 13.203 193 HE3 MET 26 2HE MET 26 -11.562 12.256 11.814 194 H GLU 27 H GLU 27 -13.197 11.205 8.415 195 HA GLU 27 HA GLU 27 -15.341 10.168 9.978 196 HB2 GLU 27 2HB GLU 27 -14.481 12.491 10.156 197 HB3 GLU 27 1HB GLU 27 -15.095 12.813 8.543 198 HG2 GLU 27 2HG GLU 27 -17.374 12.253 9.401 199 HG3 GLU 27 1HG GLU 27 -16.677 12.205 11.020 200 H SER 28 H SER 28 -15.056 11.382 6.679 201 HA SER 28 HA SER 28 -17.772 11.050 6.017 202 HB2 SER 28 2HB SER 28 -15.389 11.383 4.198 203 HB3 SER 28 1HB SER 28 -17.081 11.702 3.787 204 HG SER 28 HG SER 28 -15.306 13.140 5.367 205 H SER 29 H SER 29 -15.035 8.892 5.807 206 HA SER 29 HA SER 29 -16.351 7.076 4.023 207 HB2 SER 29 2HB SER 29 -14.413 5.574 4.607 208 HB3 SER 29 1HB SER 29 -13.958 7.135 3.914 209 HG SER 29 HG SER 29 -13.275 7.816 5.789 210 H THR 30 H THR 30 -16.504 7.702 7.345 211 HA THR 30 HA THR 30 -17.100 5.057 8.143 212 HB THR 30 HB THR 30 -17.454 7.687 9.613 213 HG1 THR 30 1HG THR 30 -15.394 7.387 10.000 214 HG21 THR 30 3HG2 THR 30 -17.625 4.844 10.649 215 HG22 THR 30 1HG2 THR 30 -18.985 5.954 10.492 216 HG23 THR 30 2HG2 THR 30 -17.690 6.303 11.639 217 H GLY 31 H GLY 31 -18.690 4.140 7.374 218 HA2 GLY 31 2HA GLY 31 -21.379 4.904 7.983 219 HA3 GLY 31 1HA GLY 31 -21.028 4.789 6.244 220 H THR 32 H THR 32 -19.735 2.924 5.623 221 HA THR 32 HA THR 32 -20.246 0.586 7.292 222 HB THR 32 HB THR 32 -19.653 0.702 4.302 223 HG1 THR 32 1HG THR 32 -21.662 1.278 4.296 224 HG21 THR 32 3HG2 THR 32 -20.266 -1.682 4.317 225 HG22 THR 32 1HG2 THR 32 -20.521 -1.606 6.060 226 HG23 THR 32 2HG2 THR 32 -18.905 -1.375 5.393 227 H ALA 33 H ALA 33 -18.400 -0.062 8.278 228 HA ALA 33 HA ALA 33 -15.858 0.868 7.207 229 HB1 ALA 33 1HB ALA 33 -14.952 -0.001 9.367 230 HB2 ALA 33 2HB ALA 33 -16.592 -0.477 9.822 231 HB3 ALA 33 3HB ALA 33 -16.199 1.224 9.592 232 HA PRO 34 HA PRO 34 -15.951 -3.004 5.032 233 HB2 PRO 34 2HB PRO 34 -13.299 -3.037 4.261 234 HB3 PRO 34 1HB PRO 34 -14.576 -2.159 3.419 235 HG2 PRO 34 2HG PRO 34 -12.597 -1.154 5.426 236 HG3 PRO 34 1HG PRO 34 -13.140 -0.393 3.920 237 HD2 PRO 34 2HD PRO 34 -14.081 0.398 6.280 238 HD3 PRO 34 1HD PRO 34 -15.145 0.306 4.858 239 H ALA 35 H ALA 35 -15.563 -5.072 5.519 240 HA ALA 35 HA ALA 35 -13.602 -5.703 7.565 241 HB1 ALA 35 1HB ALA 35 -15.223 -7.096 8.741 242 HB2 ALA 35 2HB ALA 35 -16.483 -6.591 7.613 243 HB3 ALA 35 3HB ALA 35 -15.747 -5.412 8.699 244 H SER 36 H SER 36 -12.394 -7.321 6.929 245 HA SER 36 HA SER 36 -13.600 -9.597 5.650 246 HB2 SER 36 2HB SER 36 -11.183 -8.154 4.505 247 HB3 SER 36 1HB SER 36 -11.731 -9.747 3.997 248 HG SER 36 HG SER 36 -13.450 -7.497 3.920 249 H THR 37 H THR 37 -13.134 -11.073 7.176 250 HA THR 37 HA THR 37 -10.676 -10.799 8.652 251 HB THR 37 HB THR 37 -11.570 -12.904 9.839 252 HG1 THR 37 1HG THR 37 -13.105 -13.202 8.003 253 HG21 THR 37 3HG2 THR 37 -13.140 -11.552 11.178 254 HG22 THR 37 1HG2 THR 37 -13.149 -10.323 9.913 255 HG23 THR 37 2HG2 THR 37 -11.668 -10.654 10.814 256 H GLY 38 H GLY 38 -9.022 -11.266 7.334 257 HA2 GLY 38 2HA GLY 38 -8.536 -14.109 6.995 258 HA3 GLY 38 1HA GLY 38 -8.535 -13.152 5.521 259 H ALA 39 H ALA 39 -7.449 -11.376 8.175 260 HA ALA 39 HA ALA 39 -4.776 -11.363 7.000 261 HB1 ALA 39 1HB ALA 39 -4.397 -9.387 8.376 262 HB2 ALA 39 2HB ALA 39 -5.966 -9.627 9.151 263 HB3 ALA 39 3HB ALA 39 -5.881 -9.237 7.432 264 H GLU 40 H GLU 40 -6.475 -12.494 9.683 265 HA GLU 40 HA GLU 40 -4.113 -13.062 11.260 266 HB2 GLU 40 2HB GLU 40 -5.678 -13.717 12.974 267 HB3 GLU 40 1HB GLU 40 -6.237 -12.215 12.273 268 HG2 GLU 40 2HG GLU 40 -7.407 -14.975 11.927 269 HG3 GLU 40 1HG GLU 40 -8.152 -13.571 12.668 270 H ASN 41 H ASN 41 -5.716 -14.325 8.755 271 HA ASN 41 HA ASN 41 -5.352 -17.174 9.382 272 HB2 ASN 41 2HB ASN 41 -7.513 -16.365 8.475 273 HB3 ASN 41 1HB ASN 41 -6.690 -15.790 7.042 274 HD21 ASN 41 1HD2 ASN 41 -8.882 -17.647 7.340 275 HD22 ASN 41 2HD2 ASN 41 -8.394 -19.122 6.591 276 H LEU 42 H LEU 42 -4.426 -14.649 7.083 277 HA LEU 42 HA LEU 42 -2.998 -14.506 5.386 278 HB2 LEU 42 2HB LEU 42 -1.399 -16.394 7.094 279 HB3 LEU 42 1HB LEU 42 -0.749 -15.667 5.633 280 HG LEU 42 HG LEU 42 0.179 -14.434 7.354 281 HD11 LEU 42 1HD1 LEU 42 -0.753 -12.212 7.278 282 HD12 LEU 42 2HD1 LEU 42 -2.244 -12.853 6.598 283 HD13 LEU 42 3HD1 LEU 42 -0.737 -12.980 5.688 284 HD21 LEU 42 3HD2 LEU 42 -2.494 -14.369 8.750 285 HD22 LEU 42 1HD2 LEU 42 -1.026 -13.563 9.307 286 HD23 LEU 42 2HD2 LEU 42 -1.084 -15.323 9.214 287 HA PRO 43 HA PRO 43 -4.836 -18.261 3.540 288 HB2 PRO 43 2HB PRO 43 -5.479 -17.021 1.153 289 HB3 PRO 43 1HB PRO 43 -6.543 -17.123 2.553 290 HG2 PRO 43 2HG PRO 43 -4.824 -14.865 1.644 291 HG3 PRO 43 1HG PRO 43 -6.435 -14.824 2.385 292 HD2 PRO 43 2HD PRO 43 -4.176 -14.246 3.745 293 HD3 PRO 43 1HD PRO 43 -5.588 -14.994 4.520 294 H ALA 44 H ALA 44 -3.052 -15.983 1.529 295 HA ALA 44 HA ALA 44 -1.769 -18.226 0.158 296 HB1 ALA 44 1HB ALA 44 -1.145 -16.605 -1.522 297 HB2 ALA 44 2HB ALA 44 -1.775 -15.303 -0.515 298 HB3 ALA 44 3HB ALA 44 -2.873 -16.513 -1.178 299 H GLY 45 H GLY 45 -1.127 -16.186 2.673 300 HA2 GLY 45 2HA GLY 45 0.807 -15.867 3.933 301 HA3 GLY 45 1HA GLY 45 1.664 -16.859 2.766 302 H SER 46 H SER 46 0.428 -14.840 0.751 303 HA SER 46 HA SER 46 2.320 -12.651 1.138 304 HB2 SER 46 2HB SER 46 1.479 -13.891 -1.500 305 HB3 SER 46 1HB SER 46 2.673 -12.621 -1.270 306 HG SER 46 HG SER 46 2.851 -15.355 -0.658 307 H ALA 47 H ALA 47 1.495 -10.635 0.204 308 HA ALA 47 HA ALA 47 -1.312 -10.543 -0.413 309 HB1 ALA 47 1HB ALA 47 -1.304 -10.651 2.013 310 HB2 ALA 47 2HB ALA 47 -1.850 -9.071 1.444 311 HB3 ALA 47 3HB ALA 47 -0.214 -9.267 2.075 312 H LEU 48 H LEU 48 -1.995 -8.380 -1.039 313 HA LEU 48 HA LEU 48 0.270 -6.672 -1.715 314 HB2 LEU 48 2HB LEU 48 -0.795 -6.183 -3.913 315 HB3 LEU 48 1HB LEU 48 -0.157 -7.795 -3.736 316 HG LEU 48 HG LEU 48 -2.542 -8.581 -3.345 317 HD11 LEU 48 1HD1 LEU 48 -3.234 -5.859 -4.427 318 HD12 LEU 48 2HD1 LEU 48 -3.580 -6.445 -2.802 319 HD13 LEU 48 3HD1 LEU 48 -4.356 -7.202 -4.197 320 HD21 LEU 48 3HD2 LEU 48 -1.834 -7.351 -5.996 321 HD22 LEU 48 1HD2 LEU 48 -3.072 -8.579 -5.735 322 HD23 LEU 48 2HD2 LEU 48 -1.377 -8.954 -5.421 323 H LEU 49 H LEU 49 -0.187 -4.492 -2.093 324 HA LEU 49 HA LEU 49 -2.794 -3.652 -1.169 325 HB2 LEU 49 2HB LEU 49 -1.724 -1.563 -0.247 326 HB3 LEU 49 1HB LEU 49 -1.343 -3.018 0.627 327 HG LEU 49 HG LEU 49 0.904 -2.995 -0.604 328 HD11 LEU 49 1HD1 LEU 49 1.701 -0.838 -1.406 329 HD12 LEU 49 2HD1 LEU 49 0.081 -0.165 -1.211 330 HD13 LEU 49 3HD1 LEU 49 0.366 -1.444 -2.387 331 HD21 LEU 49 3HD2 LEU 49 1.859 -1.372 0.953 332 HD22 LEU 49 1HD2 LEU 49 0.669 -2.413 1.739 333 HD23 LEU 49 2HD2 LEU 49 0.240 -0.761 1.298 334 H VAL 50 H VAL 50 -3.773 -2.104 -2.341 335 HA VAL 50 HA VAL 50 -2.337 -1.369 -4.785 336 HB VAL 50 HB VAL 50 -3.948 -3.165 -5.276 337 HG11 VAL 50 1HG1 VAL 50 -6.368 -2.809 -5.109 338 HG12 VAL 50 2HG1 VAL 50 -6.071 -1.291 -4.264 339 HG13 VAL 50 3HG1 VAL 50 -5.570 -2.818 -3.536 340 HG21 VAL 50 3HG2 VAL 50 -5.192 -2.070 -7.110 341 HG22 VAL 50 1HG2 VAL 50 -3.508 -1.547 -7.039 342 HG23 VAL 50 2HG2 VAL 50 -4.784 -0.499 -6.424 343 H VAL 51 H VAL 51 -2.464 0.713 -5.397 344 HA VAL 51 HA VAL 51 -3.807 2.552 -3.593 345 HB VAL 51 HB VAL 51 -2.416 3.159 -6.224 346 HG11 VAL 51 1HG1 VAL 51 -2.127 5.408 -5.286 347 HG12 VAL 51 2HG1 VAL 51 -2.971 4.905 -3.822 348 HG13 VAL 51 3HG1 VAL 51 -3.833 4.957 -5.359 349 HG21 VAL 51 3HG2 VAL 51 -1.167 3.140 -3.473 350 HG22 VAL 51 1HG2 VAL 51 -0.387 3.676 -4.957 351 HG23 VAL 51 2HG2 VAL 51 -0.839 1.983 -4.763 352 H LYS 52 H LYS 52 -5.809 2.965 -3.828 353 HA LYS 52 HA LYS 52 -7.158 2.103 -6.246 354 HB2 LYS 52 2HB LYS 52 -8.035 1.412 -4.045 355 HB3 LYS 52 1HB LYS 52 -8.296 3.097 -3.628 356 HG2 LYS 52 2HG LYS 52 -10.378 2.029 -4.274 357 HG3 LYS 52 1HG LYS 52 -9.943 3.289 -5.428 358 HD2 LYS 52 2HD LYS 52 -9.082 1.602 -6.969 359 HD3 LYS 52 1HD LYS 52 -9.450 0.333 -5.800 360 HE2 LYS 52 2HE LYS 52 -11.154 0.441 -7.531 361 HE3 LYS 52 1HE LYS 52 -11.829 0.888 -5.967 362 HZ1 LYS 52 3HZ LYS 52 -11.039 2.758 -8.140 363 HZ2 LYS 52 1HZ LYS 52 -11.652 3.235 -6.638 364 HZ3 LYS 52 2HZ LYS 52 -12.602 2.360 -7.700 365 H ARG 53 H ARG 53 -6.414 4.958 -4.432 366 HA ARG 53 HA ARG 53 -7.131 6.526 -6.740 367 HB2 ARG 53 2HB ARG 53 -9.211 6.437 -5.338 368 HB3 ARG 53 1HB ARG 53 -8.314 7.232 -4.049 369 HG2 ARG 53 2HG ARG 53 -7.903 9.138 -5.555 370 HG3 ARG 53 1HG ARG 53 -8.877 8.343 -6.786 371 HD2 ARG 53 2HD ARG 53 -9.810 9.210 -4.064 372 HD3 ARG 53 1HD ARG 53 -10.148 10.033 -5.585 373 HE ARG 53 HE ARG 53 -11.042 7.271 -5.182 374 HH11 ARG 53 1HH1 ARG 53 -11.830 10.696 -5.682 375 HH12 ARG 53 2HH1 ARG 53 -13.491 10.423 -5.883 376 HH21 ARG 53 1HH2 ARG 53 -13.413 6.938 -5.404 377 HH22 ARG 53 2HH2 ARG 53 -14.386 8.310 -5.690 378 H GLY 54 H GLY 54 -5.853 8.251 -6.964 379 HA2 GLY 54 2HA GLY 54 -4.665 9.952 -5.427 380 HA3 GLY 54 1HA GLY 54 -3.695 8.523 -5.065 381 HA PRO 55 HA PRO 55 -2.044 10.681 -8.950 382 HB2 PRO 55 2HB PRO 55 0.398 10.147 -7.314 383 HB3 PRO 55 1HB PRO 55 0.032 11.527 -8.354 384 HG2 PRO 55 2HG PRO 55 -0.150 11.802 -5.745 385 HG3 PRO 55 1HG PRO 55 -1.410 12.484 -6.790 386 HD2 PRO 55 2HD PRO 55 -1.467 9.991 -5.140 387 HD3 PRO 55 1HD PRO 55 -2.738 11.205 -5.393 388 H ASN 56 H ASN 56 -0.474 8.041 -7.052 389 HA ASN 56 HA ASN 56 0.201 6.700 -9.535 390 HB2 ASN 56 2HB ASN 56 1.550 5.203 -8.150 391 HB3 ASN 56 1HB ASN 56 1.924 6.884 -7.803 392 HD21 ASN 56 1HD2 ASN 56 2.363 4.532 -6.225 393 HD22 ASN 56 2HD2 ASN 56 1.542 4.781 -4.715 394 H ALA 57 H ALA 57 -2.586 6.846 -8.515 395 HA ALA 57 HA ALA 57 -3.480 4.395 -7.467 396 HB1 ALA 57 1HB ALA 57 -5.684 5.018 -8.262 397 HB2 ALA 57 2HB ALA 57 -4.973 6.271 -9.283 398 HB3 ALA 57 3HB ALA 57 -4.871 6.399 -7.529 399 H GLY 58 H GLY 58 -4.226 2.552 -8.343 400 HA2 GLY 58 2HA GLY 58 -4.922 1.218 -10.197 401 HA3 GLY 58 1HA GLY 58 -3.915 2.224 -11.237 402 H ALA 59 H ALA 59 -1.812 2.173 -9.121 403 HA ALA 59 HA ALA 59 -0.515 -0.183 -10.152 404 HB1 ALA 59 1HB ALA 59 1.479 0.678 -9.035 405 HB2 ALA 59 2HB ALA 59 0.510 1.932 -8.260 406 HB3 ALA 59 3HB ALA 59 0.712 1.930 -10.012 407 H ARG 60 H ARG 60 -0.117 -2.000 -9.090 408 HA ARG 60 HA ARG 60 -1.089 -2.194 -6.321 409 HB2 ARG 60 2HB ARG 60 -1.484 -4.553 -6.679 410 HB3 ARG 60 1HB ARG 60 -2.226 -3.697 -8.019 411 HG2 ARG 60 2HG ARG 60 -0.298 -4.278 -9.437 412 HG3 ARG 60 1HG ARG 60 0.423 -5.139 -8.081 413 HD2 ARG 60 2HD ARG 60 -1.631 -6.595 -8.043 414 HD3 ARG 60 1HD ARG 60 -2.122 -5.822 -9.551 415 HE ARG 60 HE ARG 60 0.534 -6.828 -9.692 416 HH11 ARG 60 1HH1 ARG 60 -2.840 -7.880 -9.976 417 HH12 ARG 60 2HH1 ARG 60 -2.452 -9.273 -10.884 418 HH21 ARG 60 1HH2 ARG 60 1.031 -8.754 -10.903 419 HH22 ARG 60 2HH2 ARG 60 -0.206 -9.794 -11.404 420 H PHE 61 H PHE 61 0.323 -2.904 -4.761 421 HA PHE 61 HA PHE 61 2.997 -3.646 -5.689 422 HB2 PHE 61 2HB PHE 61 2.308 -1.877 -3.333 423 HB3 PHE 61 1HB PHE 61 3.924 -2.403 -3.776 424 HD1 PHE 61 1HD PHE 61 4.758 -1.732 -6.111 425 HD2 PHE 61 2HD PHE 61 1.455 0.114 -4.172 426 HE1 PHE 61 1HE PHE 61 5.007 0.234 -7.569 427 HE2 PHE 61 2HE PHE 61 1.692 2.082 -5.625 428 HZ PHE 61 HZ PHE 61 3.473 2.141 -7.330 429 H LEU 62 H LEU 62 3.702 -5.479 -4.855 430 HA LEU 62 HA LEU 62 2.062 -6.780 -2.835 431 HB2 LEU 62 2HB LEU 62 4.174 -7.807 -4.725 432 HB3 LEU 62 1HB LEU 62 3.620 -8.750 -3.371 433 HG LEU 62 HG LEU 62 1.344 -8.768 -4.334 434 HD11 LEU 62 1HD1 LEU 62 1.435 -6.715 -5.673 435 HD12 LEU 62 2HD1 LEU 62 0.965 -8.106 -6.646 436 HD13 LEU 62 3HD1 LEU 62 2.607 -7.474 -6.752 437 HD21 LEU 62 3HD2 LEU 62 3.519 -9.787 -6.131 438 HD22 LEU 62 1HD2 LEU 62 1.841 -10.329 -6.132 439 HD23 LEU 62 2HD2 LEU 62 2.855 -10.599 -4.714 440 H LEU 63 H LEU 63 2.815 -7.267 -0.846 441 HA LEU 63 HA LEU 63 5.335 -6.043 -0.141 442 HB2 LEU 63 2HB LEU 63 3.333 -7.552 1.568 443 HB3 LEU 63 1HB LEU 63 4.774 -6.772 2.171 444 HG LEU 63 HG LEU 63 2.987 -5.388 2.765 445 HD11 LEU 63 1HD1 LEU 63 3.373 -3.293 1.609 446 HD12 LEU 63 2HD1 LEU 63 4.228 -4.155 0.336 447 HD13 LEU 63 3HD1 LEU 63 4.874 -4.144 1.979 448 HD21 LEU 63 3HD2 LEU 63 1.253 -6.282 1.308 449 HD22 LEU 63 1HD2 LEU 63 1.992 -5.493 -0.084 450 HD23 LEU 63 2HD2 LEU 63 1.286 -4.522 1.210 451 H ASP 64 H ASP 64 6.959 -7.167 -0.812 452 HA ASP 64 HA ASP 64 7.010 -10.078 -0.309 453 HB2 ASP 64 2HB ASP 64 6.754 -9.652 -2.684 454 HB3 ASP 64 1HB ASP 64 8.121 -8.551 -2.665 455 H GLN 65 H GLN 65 8.503 -7.123 0.246 456 HA GLN 65 HA GLN 65 10.987 -8.464 0.964 457 HB2 GLN 65 2HB GLN 65 11.965 -6.119 1.013 458 HB3 GLN 65 1HB GLN 65 11.545 -6.744 -0.567 459 HG2 GLN 65 2HG GLN 65 9.397 -5.442 -0.372 460 HG3 GLN 65 1HG GLN 65 10.064 -4.725 1.077 461 HE21 GLN 65 1HE2 GLN 65 11.647 -3.194 0.936 462 HE22 GLN 65 2HE2 GLN 65 12.175 -2.514 -0.562 463 HA PRO 66 HA PRO 66 10.074 -8.272 5.203 464 HB2 PRO 66 2HB PRO 66 12.576 -7.536 6.167 465 HB3 PRO 66 1HB PRO 66 12.053 -9.183 5.793 466 HG2 PRO 66 2HG PRO 66 13.636 -7.271 4.128 467 HG3 PRO 66 1HG PRO 66 13.859 -9.018 4.341 468 HD2 PRO 66 2HD PRO 66 12.727 -8.068 2.147 469 HD3 PRO 66 1HD PRO 66 12.090 -9.537 2.918 470 H THR 67 H THR 67 11.380 -5.474 3.652 471 HA THR 67 HA THR 67 9.920 -3.823 5.514 472 HB THR 67 HB THR 67 12.853 -3.274 4.896 473 HG1 THR 67 1HG THR 67 11.748 -4.800 6.775 474 HG21 THR 67 3HG2 THR 67 11.496 -1.230 5.141 475 HG22 THR 67 1HG2 THR 67 12.608 -1.421 6.498 476 HG23 THR 67 2HG2 THR 67 10.900 -1.814 6.694 477 H THR 68 H THR 68 8.736 -2.554 4.256 478 HA THR 68 HA THR 68 9.773 -1.799 1.608 479 HB THR 68 HB THR 68 6.866 -2.079 2.423 480 HG1 THR 68 1HG THR 68 8.402 -4.072 2.399 481 HG21 THR 68 3HG2 THR 68 7.434 -0.740 0.404 482 HG22 THR 68 1HG2 THR 68 6.471 -2.179 0.036 483 HG23 THR 68 2HG2 THR 68 8.202 -2.184 -0.268 484 H THR 69 H THR 69 10.284 0.382 1.754 485 HA THR 69 HA THR 69 8.939 1.976 3.775 486 HB THR 69 HB THR 69 11.253 2.727 1.960 487 HG1 THR 69 1HG THR 69 11.056 1.139 4.174 488 HG21 THR 69 3HG2 THR 69 11.702 4.457 3.659 489 HG22 THR 69 1HG2 THR 69 10.297 3.922 4.584 490 HG23 THR 69 2HG2 THR 69 10.079 4.658 2.997 491 H ALA 70 H ALA 70 7.708 3.801 3.332 492 HA ALA 70 HA ALA 70 7.002 4.277 0.534 493 HB1 ALA 70 1HB ALA 70 5.275 4.545 2.998 494 HB2 ALA 70 2HB ALA 70 5.162 3.259 1.799 495 HB3 ALA 70 3HB ALA 70 4.782 4.922 1.346 496 H GLY 71 H GLY 71 7.046 6.342 -0.130 497 HA2 GLY 71 2HA GLY 71 6.682 8.702 0.978 498 HA3 GLY 71 1HA GLY 71 8.269 8.296 1.632 499 H ARG 72 H ARG 72 9.614 9.599 0.529 500 HA ARG 72 HA ARG 72 9.578 9.261 -2.383 501 HB2 ARG 72 2HB ARG 72 10.369 11.477 -2.737 502 HB3 ARG 72 1HB ARG 72 9.109 11.666 -1.540 503 HG2 ARG 72 2HG ARG 72 10.641 12.026 0.200 504 HG3 ARG 72 1HG ARG 72 11.987 11.401 -0.745 505 HD2 ARG 72 2HD ARG 72 11.586 13.365 -2.320 506 HD3 ARG 72 1HD ARG 72 10.548 14.023 -1.056 507 HE ARG 72 HE ARG 72 12.430 14.258 0.347 508 HH11 ARG 72 1HH1 ARG 72 13.335 13.068 -2.881 509 HH12 ARG 72 2HH1 ARG 72 14.937 13.611 -2.790 510 HH21 ARG 72 1HH2 ARG 72 14.757 14.992 0.476 511 HH22 ARG 72 2HH2 ARG 72 15.730 14.716 -0.867 512 H HIS 73 H HIS 73 11.347 8.472 -3.219 513 HA HIS 73 HA HIS 73 13.888 8.864 -3.212 514 HB2 HIS 73 2HB HIS 73 13.422 7.705 -0.543 515 HB3 HIS 73 1HB HIS 73 14.580 6.765 -1.482 516 HD1 HIS 73 1HD HIS 73 16.962 7.574 -1.317 517 HD2 HIS 73 2HD HIS 73 14.204 10.579 -0.467 518 HE1 HIS 73 1HE HIS 73 18.301 9.574 -0.654 519 HA PRO 74 HA PRO 74 13.560 5.127 -5.606 520 HB2 PRO 74 2HB PRO 74 16.474 4.770 -5.486 521 HB3 PRO 74 1HB PRO 74 15.465 5.139 -6.892 522 HG2 PRO 74 2HG PRO 74 17.147 6.949 -5.849 523 HG3 PRO 74 1HG PRO 74 15.580 7.421 -6.525 524 HD2 PRO 74 2HD PRO 74 16.358 7.017 -3.659 525 HD3 PRO 74 1HD PRO 74 15.419 8.337 -4.396 526 H GLU 75 H GLU 75 15.141 5.288 -2.628 527 HA GLU 75 HA GLU 75 15.489 2.469 -2.232 528 HB2 GLU 75 2HB GLU 75 15.637 4.787 -0.302 529 HB3 GLU 75 1HB GLU 75 15.877 3.123 0.186 530 HG2 GLU 75 2HG GLU 75 18.014 4.189 -0.093 531 HG3 GLU 75 1HG GLU 75 17.802 2.975 -1.344 532 H SER 76 H SER 76 12.908 4.732 -1.798 533 HA SER 76 HA SER 76 11.493 2.879 -0.120 534 HB2 SER 76 2HB SER 76 9.610 4.583 -0.328 535 HB3 SER 76 1HB SER 76 11.079 5.184 0.429 536 HG SER 76 HG SER 76 10.941 5.530 -2.327 537 H ASP 77 H ASP 77 10.361 1.273 -0.868 538 HA ASP 77 HA ASP 77 10.217 0.833 -3.661 539 HB2 ASP 77 2HB ASP 77 10.448 -1.031 -2.059 540 HB3 ASP 77 1HB ASP 77 8.831 -0.679 -1.451 541 H ILE 78 H ILE 78 7.924 1.969 -1.266 542 HA ILE 78 HA ILE 78 5.911 2.161 -3.379 543 HB ILE 78 HB ILE 78 5.542 2.949 -0.467 544 HG12 ILE 78 2HG1 ILE 78 6.165 0.585 -0.491 545 HG13 ILE 78 1HG1 ILE 78 4.465 0.756 -0.082 546 HG21 ILE 78 1HG2 ILE 78 3.541 2.212 -2.607 547 HG22 ILE 78 2HG2 ILE 78 3.886 3.843 -2.035 548 HG23 ILE 78 3HG2 ILE 78 3.151 2.660 -0.949 549 HD11 ILE 78 3HD1 ILE 78 5.584 -0.064 -2.751 550 HD12 ILE 78 1HD1 ILE 78 3.873 0.129 -2.372 551 HD13 ILE 78 2HD1 ILE 78 4.821 -1.117 -1.560 552 H PHE 79 H PHE 79 6.521 3.856 -4.585 553 HA PHE 79 HA PHE 79 7.438 6.277 -3.280 554 HB2 PHE 79 2HB PHE 79 8.687 5.377 -5.251 555 HB3 PHE 79 1HB PHE 79 7.258 5.648 -6.239 556 HD1 PHE 79 2HD PHE 79 9.930 7.288 -4.312 557 HD2 PHE 79 1HD PHE 79 6.732 7.831 -7.071 558 HE1 PHE 79 2HE PHE 79 10.709 9.576 -4.763 559 HE2 PHE 79 1HE PHE 79 7.510 10.122 -7.526 560 HZ PHE 79 HZ PHE 79 9.502 10.996 -6.369 561 H LEU 80 H LEU 80 6.050 7.721 -2.733 562 HA LEU 80 HA LEU 80 3.468 7.988 -4.169 563 HB2 LEU 80 2HB LEU 80 4.204 8.795 -1.342 564 HB3 LEU 80 1HB LEU 80 2.621 8.922 -2.080 565 HG LEU 80 HG LEU 80 4.039 6.338 -1.403 566 HD11 LEU 80 1HD1 LEU 80 2.331 6.112 0.327 567 HD12 LEU 80 2HD1 LEU 80 1.699 7.703 -0.089 568 HD13 LEU 80 3HD1 LEU 80 3.323 7.547 0.580 569 HD21 LEU 80 3HD2 LEU 80 2.571 6.081 -3.339 570 HD22 LEU 80 1HD2 LEU 80 1.248 6.838 -2.451 571 HD23 LEU 80 2HD2 LEU 80 1.885 5.280 -1.928 572 H ASP 81 H ASP 81 3.092 9.968 -5.070 573 HA ASP 81 HA ASP 81 5.035 12.042 -4.436 574 HB2 ASP 81 2HB ASP 81 4.911 12.845 -6.723 575 HB3 ASP 81 1HB ASP 81 5.366 11.149 -6.719 576 H ASP 82 H ASP 82 4.321 13.894 -3.798 577 HA ASP 82 HA ASP 82 1.574 14.760 -4.178 578 HB2 ASP 82 2HB ASP 82 1.832 13.280 -2.005 579 HB3 ASP 82 1HB ASP 82 2.774 14.628 -1.391 580 H VAL 83 H VAL 83 1.617 16.969 -2.794 581 HA VAL 83 HA VAL 83 3.848 18.502 -3.870 582 HB VAL 83 HB VAL 83 1.528 19.485 -2.163 583 HG11 VAL 83 1HG1 VAL 83 3.359 20.994 -4.033 584 HG12 VAL 83 2HG1 VAL 83 3.379 21.064 -2.272 585 HG13 VAL 83 3HG1 VAL 83 1.987 21.680 -3.163 586 HG21 VAL 83 3HG2 VAL 83 1.712 19.358 -5.177 587 HG22 VAL 83 1HG2 VAL 83 0.424 20.141 -4.260 588 HG23 VAL 83 2HG2 VAL 83 0.650 18.394 -4.152 589 H THR 84 H THR 84 2.758 17.127 -0.914 590 HA THR 84 HA THR 84 5.226 17.979 0.335 591 HB THR 84 HB THR 84 2.510 18.131 1.684 592 HG1 THR 84 1HG THR 84 3.949 19.808 0.193 593 HG21 THR 84 3HG2 THR 84 3.741 19.080 3.594 594 HG22 THR 84 1HG2 THR 84 5.264 18.853 2.733 595 HG23 THR 84 2HG2 THR 84 4.325 17.451 3.242 596 H VAL 85 H VAL 85 6.065 16.003 -0.003 597 HA VAL 85 HA VAL 85 4.773 13.660 1.183 598 HB VAL 85 HB VAL 85 7.325 13.733 -0.446 599 HG11 VAL 85 1HG1 VAL 85 6.813 11.391 -0.950 600 HG12 VAL 85 2HG1 VAL 85 5.378 11.495 0.067 601 HG13 VAL 85 3HG1 VAL 85 6.977 11.681 0.782 602 HG21 VAL 85 3HG2 VAL 85 5.594 14.732 -1.815 603 HG22 VAL 85 1HG2 VAL 85 4.539 13.355 -1.512 604 HG23 VAL 85 2HG2 VAL 85 6.028 13.137 -2.427 605 H SER 86 H SER 86 5.931 12.467 2.743 606 HA SER 86 HA SER 86 8.048 13.911 4.066 607 HB2 SER 86 2HB SER 86 6.512 11.415 4.850 608 HB3 SER 86 1HB SER 86 7.712 12.225 5.859 609 HG SER 86 HG SER 86 5.087 12.969 5.300 610 H ARG 87 H ARG 87 10.097 12.934 4.416 611 HA ARG 87 HA ARG 87 10.796 11.288 2.168 612 HB2 ARG 87 2HB ARG 87 13.225 11.641 2.991 613 HB3 ARG 87 1HB ARG 87 12.358 13.002 2.321 614 HG2 ARG 87 2HG ARG 87 11.919 12.991 5.133 615 HG3 ARG 87 1HG ARG 87 13.649 12.789 4.833 616 HD2 ARG 87 2HD ARG 87 13.154 15.146 4.987 617 HD3 ARG 87 1HD ARG 87 13.574 14.760 3.321 618 HE ARG 87 HE ARG 87 10.804 15.116 4.277 619 HH11 ARG 87 1HH1 ARG 87 13.319 15.922 1.875 620 HH12 ARG 87 2HH1 ARG 87 12.260 16.645 0.774 621 HH21 ARG 87 1HH2 ARG 87 9.288 16.054 2.619 622 HH22 ARG 87 2HH2 ARG 87 9.961 16.711 1.218 623 H ARG 88 H ARG 88 10.210 10.809 5.413 624 HA ARG 88 HA ARG 88 10.322 7.968 4.836 625 HB2 ARG 88 2HB ARG 88 12.274 8.456 6.343 626 HB3 ARG 88 1HB ARG 88 11.170 9.221 7.479 627 HG2 ARG 88 2HG ARG 88 10.021 7.047 7.761 628 HG3 ARG 88 1HG ARG 88 11.227 6.312 6.707 629 HD2 ARG 88 2HD ARG 88 12.994 6.904 8.233 630 HD3 ARG 88 1HD ARG 88 11.864 7.782 9.262 631 HE ARG 88 HE ARG 88 11.294 4.957 8.876 632 HH11 ARG 88 1HH1 ARG 88 12.910 7.345 10.964 633 HH12 ARG 88 2HH1 ARG 88 12.831 6.343 12.338 634 HH21 ARG 88 1HH2 ARG 88 11.233 3.664 10.696 635 HH22 ARG 88 2HH2 ARG 88 11.847 4.205 12.215 636 H HIS 89 H HIS 89 8.167 7.943 4.507 637 HA HIS 89 HA HIS 89 6.463 9.447 6.316 638 HB2 HIS 89 2HB HIS 89 5.958 9.753 3.988 639 HB3 HIS 89 1HB HIS 89 6.030 8.028 3.695 640 HD2 HIS 89 2HD HIS 89 3.602 10.536 5.557 641 HE1 HIS 89 1HE HIS 89 1.589 7.025 4.386 642 HE2 HIS 89 2HE HIS 89 1.517 9.023 5.840 643 H ALA 90 H ALA 90 6.681 6.124 5.065 644 HA ALA 90 HA ALA 90 5.789 5.133 7.628 645 HB1 ALA 90 1HB ALA 90 4.227 4.646 5.085 646 HB2 ALA 90 2HB ALA 90 3.681 5.583 6.473 647 HB3 ALA 90 3HB ALA 90 3.952 3.847 6.633 648 H GLU 91 H GLU 91 6.145 2.938 7.759 649 HA GLU 91 HA GLU 91 7.492 1.731 5.490 650 HB2 GLU 91 2HB GLU 91 9.164 0.666 7.006 651 HB3 GLU 91 1HB GLU 91 9.327 2.410 6.881 652 HG2 GLU 91 2HG GLU 91 8.134 2.618 9.048 653 HG3 GLU 91 1HG GLU 91 8.127 0.857 9.158 654 H PHE 92 H PHE 92 6.973 -0.274 5.093 655 HA PHE 92 HA PHE 92 4.976 -1.495 6.844 656 HB2 PHE 92 2HB PHE 92 5.663 -2.168 3.966 657 HB3 PHE 92 1HB PHE 92 4.310 -2.785 4.890 658 HD1 PHE 92 2HD PHE 92 2.548 -1.100 5.643 659 HD2 PHE 92 1HD PHE 92 5.422 -0.267 2.633 660 HE1 PHE 92 2HE PHE 92 1.119 0.721 4.789 661 HE2 PHE 92 1HE PHE 92 4.006 1.553 1.775 662 HZ PHE 92 HZ PHE 92 1.854 2.046 2.850 663 H ARG 93 H ARG 93 5.755 -3.048 8.025 664 HA ARG 93 HA ARG 93 8.293 -4.288 7.223 665 HB2 ARG 93 2HB ARG 93 7.021 -4.163 9.958 666 HB3 ARG 93 1HB ARG 93 8.541 -4.943 9.573 667 HG2 ARG 93 2HG ARG 93 9.516 -2.815 8.966 668 HG3 ARG 93 1HG ARG 93 7.972 -2.008 9.266 669 HD2 ARG 93 2HD ARG 93 8.059 -2.679 11.589 670 HD3 ARG 93 1HD ARG 93 9.575 -3.534 11.305 671 HE ARG 93 HE ARG 93 9.838 -0.839 10.511 672 HH11 ARG 93 1HH1 ARG 93 9.567 -2.742 13.501 673 HH12 ARG 93 2HH1 ARG 93 10.473 -1.617 14.407 674 HH21 ARG 93 1HH2 ARG 93 10.957 0.600 11.707 675 HH22 ARG 93 2HH2 ARG 93 11.308 0.361 13.371 676 H ILE 94 H ILE 94 8.356 -6.338 6.764 677 HA ILE 94 HA ILE 94 5.959 -7.915 7.308 678 HB ILE 94 HB ILE 94 7.940 -8.205 5.002 679 HG12 ILE 94 2HG1 ILE 94 5.816 -7.943 3.587 680 HG13 ILE 94 1HG1 ILE 94 5.027 -7.427 5.064 681 HG21 ILE 94 1HG2 ILE 94 5.577 -9.944 5.690 682 HG22 ILE 94 2HG2 ILE 94 7.279 -10.397 5.780 683 HG23 ILE 94 3HG2 ILE 94 6.535 -10.065 4.216 684 HD11 ILE 94 3HD1 ILE 94 6.547 -5.506 5.197 685 HD12 ILE 94 1HD1 ILE 94 5.631 -5.522 3.689 686 HD13 ILE 94 2HD1 ILE 94 7.319 -6.031 3.702 687 H ASN 95 H ASN 95 6.360 -9.260 8.874 688 HA ASN 95 HA ASN 95 8.999 -10.508 9.042 689 HB2 ASN 95 2HB ASN 95 8.979 -8.519 10.557 690 HB3 ASN 95 1HB ASN 95 7.616 -9.234 11.405 691 HD21 ASN 95 1HD2 ASN 95 11.019 -9.436 10.781 692 HD22 ASN 95 2HD2 ASN 95 11.406 -10.535 12.050 693 H GLU 96 H GLU 96 8.771 -12.563 9.170 694 HA GLU 96 HA GLU 96 7.976 -14.640 9.399 695 HB2 GLU 96 2HB GLU 96 6.788 -13.463 11.903 696 HB3 GLU 96 1HB GLU 96 6.828 -15.187 11.545 697 HG2 GLU 96 2HG GLU 96 9.191 -13.361 11.918 698 HG3 GLU 96 1HG GLU 96 8.661 -14.660 12.989 699 H GLY 97 H GLY 97 6.543 -13.070 7.695 700 HA2 GLY 97 2HA GLY 97 4.746 -13.487 6.307 701 HA3 GLY 97 1HA GLY 97 4.194 -14.707 7.443 702 H GLU 98 H GLU 98 4.768 -11.703 8.920 703 HA GLU 98 HA GLU 98 1.927 -11.049 8.698 704 HB2 GLU 98 2HB GLU 98 3.783 -10.360 10.970 705 HB3 GLU 98 1HB GLU 98 2.036 -10.137 10.922 706 HG2 GLU 98 2HG GLU 98 1.826 -12.611 10.696 707 HG3 GLU 98 1HG GLU 98 3.550 -12.722 11.008 708 H PHE 99 H PHE 99 1.399 -8.896 8.387 709 HA PHE 99 HA PHE 99 3.604 -7.291 7.281 710 HB2 PHE 99 2HB PHE 99 0.677 -7.301 6.470 711 HB3 PHE 99 1HB PHE 99 1.987 -6.470 5.650 712 HD1 PHE 99 1HD PHE 99 0.467 -9.761 6.346 713 HD2 PHE 99 2HD PHE 99 3.318 -7.621 4.038 714 HE1 PHE 99 1HE PHE 99 0.714 -11.702 4.861 715 HE2 PHE 99 2HE PHE 99 3.579 -9.568 2.554 716 HZ PHE 99 HZ PHE 99 2.273 -11.608 2.967 717 H GLU 100 H GLU 100 3.922 -5.470 8.552 718 HA GLU 100 HA GLU 100 1.556 -4.284 9.828 719 HB2 GLU 100 2HB GLU 100 2.987 -3.549 11.703 720 HB3 GLU 100 1HB GLU 100 2.927 -5.297 11.568 721 HG2 GLU 100 2HG GLU 100 5.122 -5.287 10.483 722 HG3 GLU 100 1HG GLU 100 5.156 -3.529 10.602 723 H VAL 101 H VAL 101 1.372 -2.107 9.880 724 HA VAL 101 HA VAL 101 3.084 -0.581 8.040 725 HB VAL 101 HB VAL 101 0.476 0.281 9.316 726 HG11 VAL 101 1HG1 VAL 101 1.785 2.116 8.519 727 HG12 VAL 101 2HG1 VAL 101 0.359 1.925 7.498 728 HG13 VAL 101 3HG1 VAL 101 1.934 1.372 6.927 729 HG21 VAL 101 3HG2 VAL 101 0.763 -0.891 6.561 730 HG22 VAL 101 1HG2 VAL 101 -0.716 -0.269 7.284 731 HG23 VAL 101 2HG2 VAL 101 0.051 -1.716 7.954 732 H VAL 102 H VAL 102 4.530 0.732 9.070 733 HA VAL 102 HA VAL 102 3.822 1.674 11.744 734 HB VAL 102 HB VAL 102 6.600 1.490 10.522 735 HG11 VAL 102 1HG1 VAL 102 5.754 2.099 13.349 736 HG12 VAL 102 2HG1 VAL 102 6.430 3.240 12.184 737 HG13 VAL 102 3HG1 VAL 102 7.419 1.913 12.795 738 HG21 VAL 102 3HG2 VAL 102 5.730 -0.752 10.896 739 HG22 VAL 102 1HG2 VAL 102 5.316 -0.334 12.560 740 HG23 VAL 102 2HG2 VAL 102 7.006 -0.392 12.058 741 H ASP 103 H ASP 103 3.424 3.839 11.796 742 HA ASP 103 HA ASP 103 4.120 5.419 9.416 743 HB2 ASP 103 2HB ASP 103 1.770 5.457 9.702 744 HB3 ASP 103 1HB ASP 103 1.901 5.697 11.442 745 H VAL 104 H VAL 104 5.387 7.089 9.531 746 HA VAL 104 HA VAL 104 5.858 8.309 12.147 747 HB VAL 104 HB VAL 104 8.233 8.827 11.450 748 HG11 VAL 104 1HG1 VAL 104 7.763 7.022 13.000 749 HG12 VAL 104 2HG1 VAL 104 9.135 6.615 11.969 750 HG13 VAL 104 3HG1 VAL 104 7.551 5.897 11.659 751 HG21 VAL 104 3HG2 VAL 104 7.992 8.512 9.051 752 HG22 VAL 104 1HG2 VAL 104 7.666 6.796 9.301 753 HG23 VAL 104 2HG2 VAL 104 9.252 7.458 9.701 754 H GLY 105 H GLY 105 4.489 8.726 9.281 755 HA2 GLY 105 2HA GLY 105 5.261 11.546 9.029 756 HA3 GLY 105 1HA GLY 105 4.705 10.536 7.694 757 H SER 106 H SER 106 3.672 11.353 10.950 758 HA SER 106 HA SER 106 0.943 10.898 10.420 759 HB2 SER 106 2HB SER 106 2.220 12.331 12.745 760 HB3 SER 106 1HB SER 106 0.629 11.563 12.703 761 HG SER 106 HG SER 106 2.064 9.643 11.966 762 H LEU 107 H LEU 107 2.940 13.530 9.718 763 HA LEU 107 HA LEU 107 0.901 15.505 9.859 764 HB2 LEU 107 2HB LEU 107 2.379 17.045 8.695 765 HB3 LEU 107 1HB LEU 107 3.248 16.230 9.958 766 HG LEU 107 HG LEU 107 4.725 16.561 8.169 767 HD11 LEU 107 1HD1 LEU 107 3.943 13.688 8.114 768 HD12 LEU 107 2HD1 LEU 107 5.120 14.484 9.167 769 HD13 LEU 107 3HD1 LEU 107 5.424 14.359 7.438 770 HD21 LEU 107 3HD2 LEU 107 4.363 15.781 5.857 771 HD22 LEU 107 1HD2 LEU 107 3.205 17.014 6.353 772 HD23 LEU 107 2HD2 LEU 107 2.718 15.321 6.293 773 H ASN 108 H ASN 108 1.757 13.099 7.580 774 HA ASN 108 HA ASN 108 -0.031 14.203 5.564 775 HB2 ASN 108 2HB ASN 108 1.428 11.528 5.656 776 HB3 ASN 108 1HB ASN 108 0.380 12.024 4.341 777 HD21 ASN 108 1HD2 ASN 108 1.110 13.639 2.917 778 HD22 ASN 108 2HD2 ASN 108 2.752 14.111 2.814 779 H GLY 109 H GLY 109 -0.051 12.278 8.292 780 HA2 GLY 109 2HA GLY 109 -1.787 11.471 9.535 781 HA3 GLY 109 1HA GLY 109 -2.888 12.138 8.337 782 H THR 110 H THR 110 -0.395 9.560 8.331 783 HA THR 110 HA THR 110 -1.746 7.865 6.606 784 HB THR 110 HB THR 110 0.061 7.040 8.851 785 HG1 THR 110 1HG THR 110 1.638 8.080 7.962 786 HG21 THR 110 3HG2 THR 110 -0.196 6.124 5.968 787 HG22 THR 110 1HG2 THR 110 -0.823 5.263 7.373 788 HG23 THR 110 2HG2 THR 110 0.914 5.464 7.168 789 H TYR 111 H TYR 111 -3.444 6.601 6.969 790 HA TYR 111 HA TYR 111 -4.233 5.927 9.732 791 HB2 TYR 111 2HB TYR 111 -5.991 6.581 7.366 792 HB3 TYR 111 1HB TYR 111 -6.576 5.843 8.841 793 HD1 TYR 111 1HD TYR 111 -4.409 7.874 10.339 794 HD2 TYR 111 2HD TYR 111 -7.801 8.227 7.822 795 HE1 TYR 111 1HE TYR 111 -4.903 10.066 11.326 796 HE2 TYR 111 2HE TYR 111 -8.290 10.422 8.790 797 HH TYR 111 HH TYR 111 -6.112 12.096 10.748 798 H VAL 112 H VAL 112 -4.769 3.865 10.106 799 HA VAL 112 HA VAL 112 -4.699 2.010 7.812 800 HB VAL 112 HB VAL 112 -4.053 1.361 10.727 801 HG11 VAL 112 1HG1 VAL 112 -4.950 -0.546 9.511 802 HG12 VAL 112 2HG1 VAL 112 -3.241 -0.787 9.870 803 HG13 VAL 112 3HG1 VAL 112 -3.744 -0.326 8.244 804 HG21 VAL 112 3HG2 VAL 112 -2.152 1.679 8.403 805 HG22 VAL 112 1HG2 VAL 112 -1.709 1.137 10.022 806 HG23 VAL 112 2HG2 VAL 112 -2.307 2.778 9.773 807 H ASN 113 H ASN 113 -6.563 0.961 7.458 808 HA ASN 113 HA ASN 113 -8.791 0.781 7.375 809 HB2 ASN 113 2HB ASN 113 -8.150 -0.900 9.306 810 HB3 ASN 113 1HB ASN 113 -8.865 0.309 10.369 811 HD21 ASN 113 1HD2 ASN 113 -9.790 -2.407 9.853 812 HD22 ASN 113 2HD2 ASN 113 -11.401 -2.264 9.234 813 H ARG 114 H ARG 114 -7.819 3.252 7.573 814 HA ARG 114 HA ARG 114 -8.488 5.454 7.695 815 HB2 ARG 114 2HB ARG 114 -11.164 4.371 8.560 816 HB3 ARG 114 1HB ARG 114 -10.840 5.913 7.787 817 HG2 ARG 114 2HG ARG 114 -10.401 4.900 5.704 818 HG3 ARG 114 1HG ARG 114 -10.269 3.292 6.425 819 HD2 ARG 114 2HD ARG 114 -12.751 4.978 6.139 820 HD3 ARG 114 1HD ARG 114 -12.388 3.436 5.356 821 HE ARG 114 HE ARG 114 -12.534 2.362 7.490 822 HH11 ARG 114 1HH1 ARG 114 -13.853 5.666 7.338 823 HH12 ARG 114 2HH1 ARG 114 -14.787 5.523 8.751 824 HH21 ARG 114 1HH2 ARG 114 -13.872 2.150 9.453 825 HH22 ARG 114 2HH2 ARG 114 -14.816 3.474 9.946 826 H GLU 115 H GLU 115 -7.653 3.865 10.206 827 HA GLU 115 HA GLU 115 -8.640 5.735 12.215 828 HB2 GLU 115 2HB GLU 115 -7.563 2.934 12.379 829 HB3 GLU 115 1HB GLU 115 -7.635 3.977 13.790 830 HG2 GLU 115 2HG GLU 115 -10.020 3.269 12.105 831 HG3 GLU 115 1HG GLU 115 -9.538 2.393 13.560 832 HA PRO 116 HA PRO 116 -4.486 7.542 12.295 833 HB2 PRO 116 2HB PRO 116 -5.155 8.092 15.130 834 HB3 PRO 116 1HB PRO 116 -4.702 9.227 13.860 835 HG2 PRO 116 2HG PRO 116 -7.215 9.075 14.797 836 HG3 PRO 116 1HG PRO 116 -6.862 9.453 13.101 837 HD2 PRO 116 2HD PRO 116 -7.864 6.905 14.299 838 HD3 PRO 116 1HD PRO 116 -8.199 7.646 12.721 839 H ARG 117 H ARG 117 -2.657 6.338 12.659 840 HA ARG 117 HA ARG 117 -2.729 4.559 14.953 841 HB2 ARG 117 2HB ARG 117 -3.750 3.404 13.048 842 HB3 ARG 117 1HB ARG 117 -2.259 3.610 12.145 843 HG2 ARG 117 2HG ARG 117 -2.364 1.424 12.993 844 HG3 ARG 117 1HG ARG 117 -1.088 2.288 13.861 845 HD2 ARG 117 2HD ARG 117 -2.393 0.953 15.424 846 HD3 ARG 117 1HD ARG 117 -2.661 2.661 15.742 847 HE ARG 117 HE ARG 117 -4.534 1.030 14.159 848 HH11 ARG 117 1HH1 ARG 117 -3.987 3.444 16.705 849 HH12 ARG 117 2HH1 ARG 117 -5.628 3.564 17.115 850 HH21 ARG 117 1HH2 ARG 117 -6.751 1.228 14.711 851 HH22 ARG 117 2HH2 ARG 117 -7.244 2.308 15.944 852 H ASN 118 H ASN 118 -0.740 4.105 15.789 853 HA ASN 118 HA ASN 118 1.604 5.409 14.772 854 HB2 ASN 118 2HB ASN 118 2.748 4.385 16.758 855 HB3 ASN 118 1HB ASN 118 1.305 5.290 17.186 856 HD21 ASN 118 1HD2 ASN 118 2.751 3.135 18.593 857 HD22 ASN 118 2HD2 ASN 118 1.584 1.898 18.900 858 H ALA 119 H ALA 119 0.831 2.026 15.472 859 HA ALA 119 HA ALA 119 2.038 1.160 12.999 860 HB1 ALA 119 1HB ALA 119 2.981 0.166 15.692 861 HB2 ALA 119 2HB ALA 119 3.937 1.132 14.569 862 HB3 ALA 119 3HB ALA 119 3.456 -0.510 14.135 863 H GLN 120 H GLN 120 1.019 -0.610 12.295 864 HA GLN 120 HA GLN 120 -0.705 -2.156 14.076 865 HB2 GLN 120 2HB GLN 120 -2.156 -0.359 13.652 866 HB3 GLN 120 1HB GLN 120 -1.809 -0.353 11.926 867 HG2 GLN 120 2HG GLN 120 -4.025 -1.194 12.336 868 HG3 GLN 120 1HG GLN 120 -3.012 -2.510 11.760 869 HE21 GLN 120 1HE2 GLN 120 -4.329 -4.053 12.615 870 HE22 GLN 120 2HE2 GLN 120 -4.508 -4.343 14.304 871 H VAL 121 H VAL 121 -1.045 -4.172 13.340 872 HA VAL 121 HA VAL 121 0.169 -5.154 10.976 873 HB VAL 121 HB VAL 121 -2.101 -6.374 12.609 874 HG11 VAL 121 1HG1 VAL 121 -1.353 -8.527 11.707 875 HG12 VAL 121 2HG1 VAL 121 -0.150 -7.696 10.722 876 HG13 VAL 121 3HG1 VAL 121 -1.869 -7.432 10.425 877 HG21 VAL 121 3HG2 VAL 121 -0.362 -7.658 13.779 878 HG22 VAL 121 1HG2 VAL 121 -0.171 -5.923 14.026 879 HG23 VAL 121 2HG2 VAL 121 0.879 -6.772 12.892 880 H MET 122 H MET 122 -0.746 -5.314 8.928 881 HA MET 122 HA MET 122 -3.128 -3.664 8.571 882 HB2 MET 122 2HB MET 122 -2.538 -3.640 6.186 883 HB3 MET 122 1HB MET 122 -1.135 -3.225 7.151 884 HG2 MET 122 2HG MET 122 -0.380 -5.582 6.926 885 HG3 MET 122 1HG MET 122 -1.704 -5.850 5.800 886 HE1 MET 122 3HE MET 122 1.815 -4.330 6.388 887 HE2 MET 122 1HE MET 122 0.859 -2.853 6.301 888 HE3 MET 122 2HE MET 122 2.018 -3.228 5.023 889 H GLN 123 H GLN 123 -4.992 -4.409 7.400 890 HA GLN 123 HA GLN 123 -5.182 -7.269 7.524 891 HB2 GLN 123 2HB GLN 123 -7.476 -7.053 8.572 892 HB3 GLN 123 1HB GLN 123 -6.101 -6.796 9.618 893 HG2 GLN 123 2HG GLN 123 -7.586 -4.498 8.383 894 HG3 GLN 123 1HG GLN 123 -8.169 -5.272 9.848 895 HE21 GLN 123 1HE2 GLN 123 -5.776 -3.140 8.481 896 HE22 GLN 123 2HE2 GLN 123 -5.052 -2.686 9.969 897 H THR 124 H THR 124 -6.981 -8.256 6.412 898 HA THR 124 HA THR 124 -7.048 -7.476 3.835 899 HB THR 124 HB THR 124 -9.022 -9.233 4.153 900 HG1 THR 124 1HG THR 124 -9.069 -9.232 6.334 901 HG21 THR 124 3HG2 THR 124 -6.900 -9.596 2.938 902 HG22 THR 124 1HG2 THR 124 -7.305 -10.981 3.952 903 HG23 THR 124 2HG2 THR 124 -6.078 -9.828 4.479 904 H GLY 125 H GLY 125 -8.175 -5.829 2.981 905 HA2 GLY 125 2HA GLY 125 -10.253 -5.018 2.240 906 HA3 GLY 125 1HA GLY 125 -10.984 -5.588 3.731 907 H ASP 126 H ASP 126 -8.250 -4.196 4.820 908 HA ASP 126 HA ASP 126 -9.759 -1.848 5.456 909 HB2 ASP 126 2HB ASP 126 -8.512 -1.594 7.330 910 HB3 ASP 126 1HB ASP 126 -8.143 -3.274 7.033 911 H GLU 127 H GLU 127 -8.939 0.232 5.316 912 HA GLU 127 HA GLU 127 -7.354 0.547 2.900 913 HB2 GLU 127 2HB GLU 127 -9.578 2.242 3.989 914 HB3 GLU 127 1HB GLU 127 -8.495 2.767 2.711 915 HG2 GLU 127 2HG GLU 127 -9.229 0.868 1.345 916 HG3 GLU 127 1HG GLU 127 -10.341 0.399 2.630 917 H ILE 128 H ILE 128 -5.673 1.661 2.983 918 HA ILE 128 HA ILE 128 -4.874 2.903 5.503 919 HB ILE 128 HB ILE 128 -3.137 2.026 3.146 920 HG12 ILE 128 2HG1 ILE 128 -3.564 0.612 5.797 921 HG13 ILE 128 1HG1 ILE 128 -4.255 0.095 4.265 922 HG21 ILE 128 1HG2 ILE 128 -2.393 2.818 5.968 923 HG22 ILE 128 2HG2 ILE 128 -2.161 3.810 4.532 924 HG23 ILE 128 3HG2 ILE 128 -1.267 2.299 4.713 925 HD11 ILE 128 3HD1 ILE 128 -2.311 -1.237 4.845 926 HD12 ILE 128 1HD1 ILE 128 -1.321 0.220 4.938 927 HD13 ILE 128 2HD1 ILE 128 -1.996 -0.289 3.392 928 H GLN 129 H GLN 129 -4.982 5.020 5.394 929 HA GLN 129 HA GLN 129 -5.309 6.332 2.775 930 HB2 GLN 129 2HB GLN 129 -7.155 6.314 4.612 931 HB3 GLN 129 1HB GLN 129 -6.119 7.429 5.472 932 HG2 GLN 129 2HG GLN 129 -7.238 7.959 2.724 933 HG3 GLN 129 1HG GLN 129 -8.021 8.458 4.210 934 HE21 GLN 129 1HE2 GLN 129 -7.124 10.073 2.015 935 HE22 GLN 129 2HE2 GLN 129 -5.996 11.192 2.674 936 H ILE 130 H ILE 130 -3.837 7.820 2.222 937 HA ILE 130 HA ILE 130 -1.948 8.832 4.246 938 HB ILE 130 HB ILE 130 -1.257 7.981 1.411 939 HG12 ILE 130 2HG1 ILE 130 0.535 6.565 2.653 940 HG13 ILE 130 1HG1 ILE 130 -0.495 6.790 4.065 941 HG21 ILE 130 1HG2 ILE 130 -0.098 9.996 1.873 942 HG22 ILE 130 2HG2 ILE 130 1.049 8.652 1.864 943 HG23 ILE 130 3HG2 ILE 130 0.515 9.348 3.394 944 HD11 ILE 130 3HD1 ILE 130 -1.249 5.477 1.478 945 HD12 ILE 130 1HD1 ILE 130 -2.324 5.687 2.862 946 HD13 ILE 130 2HD1 ILE 130 -0.893 4.660 2.998 947 H GLY 131 H GLY 131 -2.716 10.922 4.348 948 HA2 GLY 131 2HA GLY 131 -3.199 13.075 3.705 949 HA3 GLY 131 1HA GLY 131 -2.136 12.777 2.347 950 H LYS 132 H LYS 132 -3.123 11.761 0.465 951 HA LYS 132 HA LYS 132 -5.972 12.396 0.006 952 HB2 LYS 132 2HB LYS 132 -5.303 13.362 -2.183 953 HB3 LYS 132 1HB LYS 132 -4.658 14.267 -0.815 954 HG2 LYS 132 2HG LYS 132 -2.510 13.059 -1.075 955 HG3 LYS 132 1HG LYS 132 -3.158 12.275 -2.507 956 HD2 LYS 132 2HD LYS 132 -1.715 14.179 -3.053 957 HD3 LYS 132 1HD LYS 132 -3.366 14.420 -3.615 958 HE2 LYS 132 2HE LYS 132 -3.838 15.940 -1.865 959 HE3 LYS 132 1HE LYS 132 -2.368 15.491 -0.991 960 HZ1 LYS 132 3HZ LYS 132 -1.057 16.533 -2.509 961 HZ2 LYS 132 1HZ LYS 132 -2.287 17.640 -2.218 962 HZ3 LYS 132 2HZ LYS 132 -2.284 16.761 -3.671 963 H PHE 133 H PHE 133 -3.848 10.035 0.184 964 HA PHE 133 HA PHE 133 -4.432 8.655 -2.345 965 HB2 PHE 133 2HB PHE 133 -2.484 8.014 -0.124 966 HB3 PHE 133 1HB PHE 133 -2.719 7.036 -1.553 967 HD1 PHE 133 2HD PHE 133 -1.599 10.403 -0.428 968 HD2 PHE 133 1HD PHE 133 -1.405 7.412 -3.439 969 HE1 PHE 133 2HE PHE 133 0.234 11.626 -1.513 970 HE2 PHE 133 1HE PHE 133 0.438 8.623 -4.523 971 HZ PHE 133 HZ PHE 133 1.259 10.729 -3.565 972 H ARG 134 H ARG 134 -5.535 6.754 -2.316 973 HA ARG 134 HA ARG 134 -6.503 5.718 0.286 974 HB2 ARG 134 2HB ARG 134 -7.814 5.563 -2.452 975 HB3 ARG 134 1HB ARG 134 -8.443 4.833 -0.993 976 HG2 ARG 134 2HG ARG 134 -8.049 7.795 -1.294 977 HG3 ARG 134 1HG ARG 134 -9.535 6.969 -1.754 978 HD2 ARG 134 2HD ARG 134 -8.311 6.928 1.004 979 HD3 ARG 134 1HD ARG 134 -9.638 7.978 0.509 980 HE ARG 134 HE ARG 134 -9.798 5.018 0.621 981 HH11 ARG 134 1HH1 ARG 134 -11.468 8.177 0.805 982 HH12 ARG 134 2HH1 ARG 134 -12.930 7.457 1.311 983 HH21 ARG 134 1HH2 ARG 134 -11.757 4.153 1.305 984 HH22 ARG 134 2HH2 ARG 134 -13.110 5.135 1.651 985 H LEU 135 H LEU 135 -5.448 3.812 0.687 986 HA LEU 135 HA LEU 135 -4.797 2.094 -1.598 987 HB2 LEU 135 2HB LEU 135 -3.308 2.572 0.981 988 HB3 LEU 135 1HB LEU 135 -3.082 1.102 0.065 989 HG LEU 135 HG LEU 135 -2.229 2.447 -1.834 990 HD11 LEU 135 1HD1 LEU 135 -2.447 4.767 0.071 991 HD12 LEU 135 2HD1 LEU 135 -3.319 4.560 -1.445 992 HD13 LEU 135 3HD1 LEU 135 -1.568 4.784 -1.459 993 HD21 LEU 135 3HD2 LEU 135 -0.078 2.982 -0.833 994 HD22 LEU 135 1HD2 LEU 135 -0.708 1.450 -0.230 995 HD23 LEU 135 2HD2 LEU 135 -0.798 2.896 0.775 996 H VAL 136 H VAL 136 -5.513 0.050 -1.502 997 HA VAL 136 HA VAL 136 -7.022 -0.699 0.924 998 HB VAL 136 HB VAL 136 -7.471 -1.826 -1.851 999 HG11 VAL 136 1HG1 VAL 136 -9.191 -1.876 0.619 1000 HG12 VAL 136 2HG1 VAL 136 -8.276 -3.224 -0.054 1001 HG13 VAL 136 3HG1 VAL 136 -9.639 -2.551 -0.947 1002 HG21 VAL 136 3HG2 VAL 136 -7.953 0.570 -1.958 1003 HG22 VAL 136 1HG2 VAL 136 -9.031 0.433 -0.572 1004 HG23 VAL 136 2HG2 VAL 136 -9.438 -0.371 -2.085 1005 H PHE 137 H PHE 137 -6.322 -2.514 1.940 1006 HA PHE 137 HA PHE 137 -4.141 -3.982 0.682 1007 HB2 PHE 137 2HB PHE 137 -3.699 -3.177 2.926 1008 HB3 PHE 137 1HB PHE 137 -5.157 -3.956 3.529 1009 HD1 PHE 137 1HD PHE 137 -1.946 -4.761 1.827 1010 HD2 PHE 137 2HD PHE 137 -5.000 -6.040 4.486 1011 HE1 PHE 137 1HE PHE 137 -0.650 -6.778 2.350 1012 HE2 PHE 137 2HE PHE 137 -3.710 -8.056 5.016 1013 HZ PHE 137 HZ PHE 137 -1.536 -8.428 3.949 1014 H LEU 138 H LEU 138 -4.398 -5.948 -0.179 1015 HA LEU 138 HA LEU 138 -6.723 -7.531 0.643 1016 HB2 LEU 138 2HB LEU 138 -5.753 -7.217 -2.205 1017 HB3 LEU 138 1HB LEU 138 -6.928 -8.387 -1.680 1018 HG LEU 138 HG LEU 138 -8.136 -6.766 -2.752 1019 HD11 LEU 138 1HD1 LEU 138 -9.238 -7.367 -0.751 1020 HD12 LEU 138 2HD1 LEU 138 -9.554 -5.669 -1.104 1021 HD13 LEU 138 3HD1 LEU 138 -8.394 -6.106 0.150 1022 HD21 LEU 138 3HD2 LEU 138 -6.613 -4.628 -1.275 1023 HD22 LEU 138 1HD2 LEU 138 -7.974 -4.337 -2.359 1024 HD23 LEU 138 2HD2 LEU 138 -6.482 -5.034 -2.988 1025 H ALA 139 H ALA 139 -6.267 -9.558 1.073 1026 HA ALA 139 HA ALA 139 -3.689 -10.623 0.146 1027 HB1 ALA 139 1HB ALA 139 -5.240 -11.368 2.646 1028 HB2 ALA 139 2HB ALA 139 -3.729 -10.463 2.609 1029 HB3 ALA 139 3HB ALA 139 -3.757 -12.151 2.099 1030 H GLY 140 H GLY 140 -4.004 -12.101 -1.372 1031 HA2 GLY 140 2HA GLY 140 -6.171 -13.950 -1.209 1032 HA3 GLY 140 1HA GLY 140 -6.528 -12.656 -2.336 1033 HA PRO 141 HA PRO 141 -4.285 -14.551 -5.600 1034 HB2 PRO 141 2HB PRO 141 -1.838 -12.927 -5.474 1035 HB3 PRO 141 1HB PRO 141 -2.953 -13.138 -6.817 1036 HG2 PRO 141 2HG PRO 141 -2.905 -10.838 -5.454 1037 HG3 PRO 141 1HG PRO 141 -4.421 -11.515 -6.074 1038 HD2 PRO 141 2HD PRO 141 -3.337 -11.520 -3.290 1039 HD3 PRO 141 1HD PRO 141 -5.014 -11.334 -3.840 1040 H ALA 142 H ALA 142 -2.996 -16.207 -5.897 1041 HA ALA 142 HA ALA 142 -0.889 -16.801 -4.000 1042 HB1 ALA 142 1HB ALA 142 -3.245 -18.651 -4.437 1043 HB2 ALA 142 2HB ALA 142 -2.907 -17.756 -2.955 1044 HB3 ALA 142 3HB ALA 142 -1.802 -19.023 -3.490 1045 H GLU 143 H GLU 143 0.263 -16.371 -5.918 1046 HA GLU 143 HA GLU 143 0.260 -18.604 -7.717 1047 HB2 GLU 143 2HB GLU 143 1.216 -16.732 -9.215 1048 HB3 GLU 143 1HB GLU 143 -0.544 -16.908 -9.087 1049 HG2 GLU 143 2HG GLU 143 -0.343 -15.094 -7.279 1050 HG3 GLU 143 1HG GLU 143 1.300 -14.858 -7.872 Start of MODEL 5 1 H1 MET 1 1HT MET 1 37.486 0.902 9.536 2 H2 MET 1 2HT MET 1 36.321 0.752 8.293 3 H3 MET 1 3HT MET 1 36.669 2.230 8.947 4 HA MET 1 HA MET 1 38.817 2.324 8.063 5 HB2 MET 1 2HB MET 1 39.751 0.543 6.679 6 HB3 MET 1 1HB MET 1 39.341 -0.108 8.253 7 HG2 MET 1 2HG MET 1 37.321 -1.101 7.320 8 HG3 MET 1 1HG MET 1 37.709 -0.422 5.740 9 HE1 MET 1 2HE MET 1 40.155 -2.032 8.419 10 HE2 MET 1 3HE MET 1 40.194 -3.700 7.854 11 HE3 MET 1 1HE MET 1 38.701 -3.028 8.505 12 H SER 2 H SER 2 39.272 2.616 5.628 13 HA SER 2 HA SER 2 36.808 3.493 4.442 14 HB2 SER 2 2HB SER 2 39.653 3.710 3.427 15 HB3 SER 2 1HB SER 2 38.248 4.560 2.776 16 HG SER 2 HG SER 2 38.640 4.847 5.485 17 H ASP 3 H ASP 3 35.953 1.392 4.234 18 HA ASP 3 HA ASP 3 37.153 -0.480 2.382 19 HB2 ASP 3 2HB ASP 3 35.811 -1.282 4.282 20 HB3 ASP 3 1HB ASP 3 34.414 -0.400 3.689 21 H ASN 4 H ASN 4 34.189 1.378 2.539 22 HA ASN 4 HA ASN 4 32.939 2.497 1.128 23 HB2 ASN 4 2HB ASN 4 35.005 3.718 0.494 24 HB3 ASN 4 1HB ASN 4 35.316 2.523 -0.759 25 HD21 ASN 4 1HD2 ASN 4 35.231 4.088 -2.410 26 HD22 ASN 4 2HD2 ASN 4 33.722 4.789 -2.889 27 H ASN 5 H ASN 5 31.394 1.092 0.722 28 HA ASN 5 HA ASN 5 31.509 -0.272 -1.872 29 HB2 ASN 5 2HB ASN 5 32.092 -1.985 -0.094 30 HB3 ASN 5 1HB ASN 5 30.517 -1.686 0.620 31 HD21 ASN 5 1HD2 ASN 5 28.663 -2.494 -0.384 32 HD22 ASN 5 2HD2 ASN 5 28.743 -3.586 -1.711 33 H GLY 6 H GLY 6 29.523 0.308 0.979 34 HA2 GLY 6 2HA GLY 6 27.588 1.788 -0.390 35 HA3 GLY 6 1HA GLY 6 27.048 0.119 -0.217 36 H THR 7 H THR 7 28.735 2.485 1.789 37 HA THR 7 HA THR 7 27.358 1.607 4.150 38 HB THR 7 HB THR 7 29.086 4.086 3.753 39 HG1 THR 7 1HG THR 7 29.720 1.415 4.444 40 HG21 THR 7 3HG2 THR 7 27.738 4.099 5.813 41 HG22 THR 7 1HG2 THR 7 29.451 3.907 6.187 42 HG23 THR 7 2HG2 THR 7 28.374 2.513 6.243 43 HA PRO 8 HA PRO 8 24.104 4.310 2.815 44 HB2 PRO 8 2HB PRO 8 22.189 3.463 4.511 45 HB3 PRO 8 1HB PRO 8 22.673 2.541 3.086 46 HG2 PRO 8 2HG PRO 8 23.328 2.091 5.947 47 HG3 PRO 8 1HG PRO 8 23.104 0.910 4.645 48 HD2 PRO 8 2HD PRO 8 25.564 1.812 5.635 49 HD3 PRO 8 1HD PRO 8 25.307 0.966 4.100 50 H GLU 9 H GLU 9 23.830 6.324 3.383 51 HA GLU 9 HA GLU 9 23.778 6.946 6.214 52 HB2 GLU 9 2HB GLU 9 24.520 9.262 5.584 53 HB3 GLU 9 1HB GLU 9 25.732 8.030 5.291 54 HG2 GLU 9 2HG GLU 9 25.315 8.095 2.942 55 HG3 GLU 9 1HG GLU 9 23.926 9.162 3.169 56 HA PRO 10 HA PRO 10 19.617 8.020 5.468 57 HB2 PRO 10 2HB PRO 10 19.263 9.919 7.409 58 HB3 PRO 10 1HB PRO 10 19.270 8.184 7.734 59 HG2 PRO 10 2HG PRO 10 21.455 10.185 8.087 60 HG3 PRO 10 1HG PRO 10 20.984 8.839 9.143 61 HD2 PRO 10 2HD PRO 10 23.105 8.689 7.486 62 HD3 PRO 10 1HD PRO 10 22.092 7.277 7.858 63 H GLN 11 H GLN 11 18.516 9.502 4.320 64 HA GLN 11 HA GLN 11 20.018 11.792 3.348 65 HB2 GLN 11 2HB GLN 11 17.350 10.627 2.515 66 HB3 GLN 11 1HB GLN 11 18.118 12.007 1.753 67 HG2 GLN 11 2HG GLN 11 19.312 9.242 1.843 68 HG3 GLN 11 1HG GLN 11 18.338 9.850 0.513 69 HE21 GLN 11 1HE2 GLN 11 19.940 9.712 -0.990 70 HE22 GLN 11 2HE2 GLN 11 21.340 10.708 -0.998 71 H VAL 12 H VAL 12 19.237 13.871 3.645 72 HA VAL 12 HA VAL 12 17.319 14.057 5.845 73 HB VAL 12 HB VAL 12 19.404 16.092 4.982 74 HG11 VAL 12 1HG1 VAL 12 17.644 16.015 7.434 75 HG12 VAL 12 2HG1 VAL 12 17.473 17.116 6.067 76 HG13 VAL 12 3HG1 VAL 12 18.901 17.209 7.100 77 HG21 VAL 12 3HG2 VAL 12 20.605 15.458 7.034 78 HG22 VAL 12 1HG2 VAL 12 20.475 14.114 5.900 79 HG23 VAL 12 2HG2 VAL 12 19.424 14.178 7.314 80 H GLU 13 H GLU 13 15.541 15.204 5.620 81 HA GLU 13 HA GLU 13 15.059 16.753 3.224 82 HB2 GLU 13 2HB GLU 13 14.353 14.498 2.676 83 HB3 GLU 13 1HB GLU 13 13.484 14.381 4.197 84 HG2 GLU 13 2HG GLU 13 12.071 16.309 3.370 85 HG3 GLU 13 1HG GLU 13 12.811 16.023 1.795 86 H THR 14 H THR 14 13.567 18.320 3.638 87 HA THR 14 HA THR 14 12.443 18.450 6.322 88 HB THR 14 HB THR 14 12.553 20.581 4.177 89 HG1 THR 14 1HG THR 14 14.621 19.640 4.989 90 HG21 THR 14 3HG2 THR 14 12.256 22.105 6.081 91 HG22 THR 14 1HG2 THR 14 12.236 20.731 7.187 92 HG23 THR 14 2HG2 THR 14 10.938 20.938 6.009 93 H TPO 15 H TPO 15 10.301 17.931 6.414 94 HA TPO 15 HA TPO 15 8.891 17.601 3.841 95 HB TPO 15 HB TPO 15 7.926 16.564 6.503 96 HG21 TPO 15 1HG2 TPO 15 6.368 16.510 4.592 97 HG22 TPO 15 2HG2 TPO 15 6.825 14.889 5.113 98 HG23 TPO 15 3HG2 TPO 15 7.549 15.584 3.664 99 H SER 16 H SER 16 7.097 18.755 3.382 100 HA SER 16 HA SER 16 6.252 20.843 5.168 101 HB2 SER 16 2HB SER 16 5.297 20.078 2.404 102 HB3 SER 16 1HB SER 16 5.015 21.599 3.239 103 HG SER 16 HG SER 16 6.688 22.037 1.972 104 H VAL 17 H VAL 17 4.350 20.777 6.254 105 HA VAL 17 HA VAL 17 2.926 18.246 6.286 106 HB VAL 17 HB VAL 17 2.555 20.677 8.057 107 HG11 VAL 17 1HG1 VAL 17 1.638 17.829 8.416 108 HG12 VAL 17 2HG1 VAL 17 0.615 19.204 8.007 109 HG13 VAL 17 3HG1 VAL 17 1.415 19.136 9.580 110 HG21 VAL 17 3HG2 VAL 17 3.851 19.446 9.743 111 HG22 VAL 17 1HG2 VAL 17 4.805 19.800 8.302 112 HG23 VAL 17 2HG2 VAL 17 4.165 18.178 8.554 113 H PHE 18 H PHE 18 1.263 18.037 4.960 114 HA PHE 18 HA PHE 18 -0.474 20.342 4.632 115 HB2 PHE 18 2HB PHE 18 -1.046 19.609 2.336 116 HB3 PHE 18 1HB PHE 18 0.656 19.989 2.488 117 HD1 PHE 18 2HD PHE 18 -1.813 17.326 1.970 118 HD2 PHE 18 1HD PHE 18 2.334 18.259 2.207 119 HE1 PHE 18 2HE PHE 18 -1.273 15.152 0.953 120 HE2 PHE 18 1HE PHE 18 2.881 16.092 1.185 121 HZ PHE 18 HZ PHE 18 1.081 14.534 0.559 122 H ARG 19 H ARG 19 -2.585 20.025 4.827 123 HA ARG 19 HA ARG 19 -3.421 17.346 5.660 124 HB2 ARG 19 2HB ARG 19 -3.280 19.153 7.448 125 HB3 ARG 19 1HB ARG 19 -4.557 19.984 6.583 126 HG2 ARG 19 2HG ARG 19 -6.076 18.166 6.974 127 HG3 ARG 19 1HG ARG 19 -4.787 17.220 7.721 128 HD2 ARG 19 2HD ARG 19 -4.541 18.961 9.448 129 HD3 ARG 19 1HD ARG 19 -5.881 19.842 8.718 130 HE ARG 19 HE ARG 19 -6.367 17.117 9.545 131 HH11 ARG 19 1HH1 ARG 19 -6.607 20.530 10.361 132 HH12 ARG 19 2HH1 ARG 19 -7.842 20.354 11.519 133 HH21 ARG 19 1HH2 ARG 19 -8.087 16.819 11.155 134 HH22 ARG 19 2HH2 ARG 19 -8.744 18.180 11.935 135 H ALA 20 H ALA 20 -4.300 16.667 3.854 136 HA ALA 20 HA ALA 20 -5.615 18.427 2.015 137 HB1 ALA 20 1HB ALA 20 -5.275 15.435 1.899 138 HB2 ALA 20 2HB ALA 20 -4.136 16.622 1.268 139 HB3 ALA 20 3HB ALA 20 -5.745 16.489 0.564 140 H ASP 21 H ASP 21 -7.501 16.862 0.925 141 HA ASP 21 HA ASP 21 -9.873 17.530 2.221 142 HB2 ASP 21 2HB ASP 21 -9.466 17.280 -0.223 143 HB3 ASP 21 1HB ASP 21 -9.504 15.537 -0.014 144 H LEU 22 H LEU 22 -8.047 15.361 3.529 145 HA LEU 22 HA LEU 22 -9.358 12.926 3.598 146 HB2 LEU 22 2HB LEU 22 -8.026 12.480 5.694 147 HB3 LEU 22 1HB LEU 22 -7.127 12.914 4.263 148 HG LEU 22 HG LEU 22 -6.964 15.266 5.232 149 HD11 LEU 22 1HD1 LEU 22 -8.736 15.139 6.881 150 HD12 LEU 22 2HD1 LEU 22 -7.190 15.530 7.631 151 HD13 LEU 22 3HD1 LEU 22 -7.846 13.896 7.762 152 HD21 LEU 22 3HD2 LEU 22 -5.653 13.006 6.725 153 HD22 LEU 22 1HD2 LEU 22 -5.103 14.681 6.693 154 HD23 LEU 22 2HD2 LEU 22 -5.100 13.724 5.210 155 H LEU 23 H LEU 23 -10.264 15.810 5.263 156 HA LEU 23 HA LEU 23 -11.767 14.641 7.338 157 HB2 LEU 23 2HB LEU 23 -12.085 17.279 5.908 158 HB3 LEU 23 1HB LEU 23 -12.967 16.820 7.345 159 HG LEU 23 HG LEU 23 -9.976 17.211 7.165 160 HD11 LEU 23 1HD1 LEU 23 -10.383 19.181 8.559 161 HD12 LEU 23 2HD1 LEU 23 -12.118 18.896 8.455 162 HD13 LEU 23 3HD1 LEU 23 -11.202 19.304 7.001 163 HD21 LEU 23 3HD2 LEU 23 -11.741 16.596 9.541 164 HD22 LEU 23 1HD2 LEU 23 -10.029 17.010 9.618 165 HD23 LEU 23 2HD2 LEU 23 -10.537 15.521 8.830 166 H LYS 24 H LYS 24 -12.548 15.592 4.008 167 HA LYS 24 HA LYS 24 -15.208 14.613 4.379 168 HB2 LYS 24 2HB LYS 24 -13.902 15.917 2.017 169 HB3 LYS 24 1HB LYS 24 -15.504 15.187 1.906 170 HG2 LYS 24 2HG LYS 24 -16.229 16.609 3.790 171 HG3 LYS 24 1HG LYS 24 -14.658 17.403 3.746 172 HD2 LYS 24 2HD LYS 24 -15.076 18.213 1.534 173 HD3 LYS 24 1HD LYS 24 -16.580 17.297 1.430 174 HE2 LYS 24 2HE LYS 24 -15.997 19.513 3.391 175 HE3 LYS 24 1HE LYS 24 -16.999 19.657 1.951 176 HZ1 LYS 24 3HZ LYS 24 -17.615 17.857 4.277 177 HZ2 LYS 24 1HZ LYS 24 -18.536 18.037 2.889 178 HZ3 LYS 24 2HZ LYS 24 -18.348 19.320 3.947 179 H GLU 25 H GLU 25 -12.274 13.475 3.213 180 HA GLU 25 HA GLU 25 -12.969 11.155 1.818 181 HB2 GLU 25 2HB GLU 25 -10.642 11.854 2.178 182 HB3 GLU 25 1HB GLU 25 -10.842 11.648 3.912 183 HG2 GLU 25 2HG GLU 25 -9.532 9.856 3.042 184 HG3 GLU 25 1HG GLU 25 -11.093 9.225 3.565 185 H MET 26 H MET 26 -12.613 11.761 5.249 186 HA MET 26 HA MET 26 -13.595 9.273 6.170 187 HB2 MET 26 2HB MET 26 -12.125 10.670 7.498 188 HB3 MET 26 1HB MET 26 -13.310 11.964 7.484 189 HG2 MET 26 2HG MET 26 -14.812 10.631 8.835 190 HG3 MET 26 1HG MET 26 -13.671 9.287 8.801 191 HE1 MET 26 3HE MET 26 -12.675 13.331 10.802 192 HE2 MET 26 1HE MET 26 -14.161 13.044 9.900 193 HE3 MET 26 2HE MET 26 -12.605 13.085 9.062 194 H GLU 27 H GLU 27 -15.056 12.474 5.867 195 HA GLU 27 HA GLU 27 -17.550 12.105 6.970 196 HB2 GLU 27 2HB GLU 27 -16.540 14.239 6.118 197 HB3 GLU 27 1HB GLU 27 -16.920 13.688 4.494 198 HG2 GLU 27 2HG GLU 27 -19.313 13.669 5.116 199 HG3 GLU 27 1HG GLU 27 -18.871 14.391 6.661 200 H SER 28 H SER 28 -16.632 11.559 3.556 201 HA SER 28 HA SER 28 -19.296 10.699 2.924 202 HB2 SER 28 2HB SER 28 -18.049 12.118 1.377 203 HB3 SER 28 1HB SER 28 -16.815 10.874 1.207 204 HG SER 28 HG SER 28 -19.435 10.110 0.692 205 H SER 29 H SER 29 -16.242 9.107 3.637 206 HA SER 29 HA SER 29 -17.149 6.675 2.415 207 HB2 SER 29 2HB SER 29 -14.719 7.459 2.572 208 HB3 SER 29 1HB SER 29 -14.777 6.915 4.244 209 HG SER 29 HG SER 29 -15.634 4.876 3.178 210 H THR 30 H THR 30 -17.368 8.128 5.529 211 HA THR 30 HA THR 30 -17.834 5.724 6.969 212 HB THR 30 HB THR 30 -18.657 8.566 7.674 213 HG1 THR 30 1HG THR 30 -16.484 8.545 7.543 214 HG21 THR 30 3HG2 THR 30 -18.715 7.730 9.987 215 HG22 THR 30 1HG2 THR 30 -18.316 6.109 9.418 216 HG23 THR 30 2HG2 THR 30 -19.856 6.844 8.977 217 H GLY 31 H GLY 31 -19.441 4.469 6.544 218 HA2 GLY 31 2HA GLY 31 -22.031 4.673 6.920 219 HA3 GLY 31 1HA GLY 31 -21.883 5.479 5.353 220 H THR 32 H THR 32 -19.667 3.907 4.467 221 HA THR 32 HA THR 32 -21.117 1.521 3.676 222 HB THR 32 HB THR 32 -18.439 2.604 2.761 223 HG1 THR 32 1HG THR 32 -21.107 3.211 1.992 224 HG21 THR 32 3HG2 THR 32 -18.894 1.290 0.731 225 HG22 THR 32 1HG2 THR 32 -20.427 0.751 1.413 226 HG23 THR 32 2HG2 THR 32 -18.910 0.244 2.152 227 H ALA 33 H ALA 33 -20.719 -0.337 4.802 228 HA ALA 33 HA ALA 33 -18.083 -0.737 6.011 229 HB1 ALA 33 1HB ALA 33 -19.200 -1.894 7.881 230 HB2 ALA 33 2HB ALA 33 -20.769 -1.486 7.185 231 HB3 ALA 33 3HB ALA 33 -19.709 -0.207 7.773 232 HA PRO 34 HA PRO 34 -18.620 -4.172 3.126 233 HB2 PRO 34 2HB PRO 34 -15.980 -5.008 4.146 234 HB3 PRO 34 1HB PRO 34 -16.478 -4.652 2.491 235 HG2 PRO 34 2HG PRO 34 -14.888 -2.982 3.839 236 HG3 PRO 34 1HG PRO 34 -16.134 -2.377 2.730 237 HD2 PRO 34 2HD PRO 34 -16.183 -2.529 5.723 238 HD3 PRO 34 1HD PRO 34 -16.731 -1.230 4.637 239 H ALA 35 H ALA 35 -19.371 -6.172 3.358 240 HA ALA 35 HA ALA 35 -18.849 -7.678 5.804 241 HB1 ALA 35 1HB ALA 35 -21.512 -7.366 4.403 242 HB2 ALA 35 2HB ALA 35 -21.092 -6.676 5.964 243 HB3 ALA 35 3HB ALA 35 -21.195 -8.426 5.775 244 H SER 36 H SER 36 -19.180 -9.993 5.456 245 HA SER 36 HA SER 36 -19.005 -11.977 4.385 246 HB2 SER 36 2HB SER 36 -20.167 -10.508 2.013 247 HB3 SER 36 1HB SER 36 -20.160 -12.254 2.264 248 HG SER 36 HG SER 36 -21.263 -11.475 4.395 249 H THR 37 H THR 37 -16.879 -9.861 4.125 250 HA THR 37 HA THR 37 -15.594 -10.590 1.632 251 HB THR 37 HB THR 37 -14.697 -8.712 3.842 252 HG1 THR 37 1HG THR 37 -16.779 -8.386 2.581 253 HG21 THR 37 3HG2 THR 37 -12.896 -9.435 2.286 254 HG22 THR 37 1HG2 THR 37 -13.277 -7.723 2.094 255 HG23 THR 37 2HG2 THR 37 -13.880 -8.899 0.925 256 H GLY 38 H GLY 38 -14.460 -12.483 1.695 257 HA2 GLY 38 2HA GLY 38 -13.386 -13.284 4.313 258 HA3 GLY 38 1HA GLY 38 -14.070 -14.413 3.162 259 H ALA 39 H ALA 39 -11.666 -11.793 2.956 260 HA ALA 39 HA ALA 39 -9.977 -13.564 1.414 261 HB1 ALA 39 1HB ALA 39 -9.609 -10.657 2.167 262 HB2 ALA 39 2HB ALA 39 -10.264 -11.259 0.647 263 HB3 ALA 39 3HB ALA 39 -8.575 -11.565 1.061 264 H GLU 40 H GLU 40 -10.572 -12.859 4.509 265 HA GLU 40 HA GLU 40 -7.982 -12.654 5.691 266 HB2 GLU 40 2HB GLU 40 -9.259 -12.902 7.813 267 HB3 GLU 40 1HB GLU 40 -9.808 -11.597 6.768 268 HG2 GLU 40 2HG GLU 40 -11.684 -12.890 6.041 269 HG3 GLU 40 1HG GLU 40 -11.087 -14.314 6.889 270 H ASN 41 H ASN 41 -8.920 -15.226 4.131 271 HA ASN 41 HA ASN 41 -8.275 -17.119 6.255 272 HB2 ASN 41 2HB ASN 41 -9.573 -17.593 3.559 273 HB3 ASN 41 1HB ASN 41 -9.022 -18.886 4.609 274 HD21 ASN 41 1HD2 ASN 41 -10.114 -19.255 6.546 275 HD22 ASN 41 2HD2 ASN 41 -11.708 -18.662 6.830 276 H LEU 42 H LEU 42 -6.931 -15.370 3.819 277 HA LEU 42 HA LEU 42 -4.928 -15.244 2.934 278 HB2 LEU 42 2HB LEU 42 -4.370 -17.470 4.824 279 HB3 LEU 42 1HB LEU 42 -3.120 -16.916 3.714 280 HG LEU 42 HG LEU 42 -2.651 -15.964 5.828 281 HD11 LEU 42 1HD1 LEU 42 -2.358 -14.401 4.048 282 HD12 LEU 42 2HD1 LEU 42 -2.849 -13.578 5.527 283 HD13 LEU 42 3HD1 LEU 42 -4.020 -13.830 4.234 284 HD21 LEU 42 3HD2 LEU 42 -5.519 -15.051 6.011 285 HD22 LEU 42 1HD2 LEU 42 -4.248 -14.688 7.177 286 HD23 LEU 42 2HD2 LEU 42 -4.779 -16.354 6.940 287 HA PRO 43 HA PRO 43 -5.980 -18.296 -0.163 288 HB2 PRO 43 2HB PRO 43 -5.359 -16.693 -2.310 289 HB3 PRO 43 1HB PRO 43 -6.940 -16.735 -1.526 290 HG2 PRO 43 2HG PRO 43 -4.735 -14.768 -1.235 291 HG3 PRO 43 1HG PRO 43 -6.487 -14.498 -1.178 292 HD2 PRO 43 2HD PRO 43 -4.808 -14.581 0.985 293 HD3 PRO 43 1HD PRO 43 -6.545 -14.923 1.072 294 H ALA 44 H ALA 44 -3.295 -16.186 -1.314 295 HA ALA 44 HA ALA 44 -1.780 -18.648 -1.699 296 HB1 ALA 44 1HB ALA 44 -1.239 -15.901 -2.816 297 HB2 ALA 44 2HB ALA 44 -2.074 -17.205 -3.660 298 HB3 ALA 44 3HB ALA 44 -0.374 -17.380 -3.226 299 H GLY 45 H GLY 45 -2.106 -16.645 0.710 300 HA2 GLY 45 2HA GLY 45 -0.865 -16.363 2.637 301 HA3 GLY 45 1HA GLY 45 0.336 -17.439 1.937 302 H SER 46 H SER 46 -0.503 -14.667 0.117 303 HA SER 46 HA SER 46 1.839 -13.224 1.084 304 HB2 SER 46 2HB SER 46 1.101 -13.668 -1.822 305 HB3 SER 46 1HB SER 46 2.522 -12.807 -1.218 306 HG SER 46 HG SER 46 2.016 -15.473 -0.484 307 H ALA 47 H ALA 47 1.675 -10.866 0.091 308 HA ALA 47 HA ALA 47 -1.131 -10.147 -0.149 309 HB1 ALA 47 1HB ALA 47 -0.563 -9.966 2.222 310 HB2 ALA 47 2HB ALA 47 -0.886 -8.385 1.509 311 HB3 ALA 47 3HB ALA 47 0.774 -8.892 1.819 312 H LEU 48 H LEU 48 -1.490 -8.097 -1.010 313 HA LEU 48 HA LEU 48 0.754 -6.797 -2.231 314 HB2 LEU 48 2HB LEU 48 -0.402 -6.660 -4.409 315 HB3 LEU 48 1HB LEU 48 0.009 -8.292 -3.984 316 HG LEU 48 HG LEU 48 -2.045 -8.325 -5.130 317 HD11 LEU 48 1HD1 LEU 48 -3.644 -9.331 -3.639 318 HD12 LEU 48 2HD1 LEU 48 -2.680 -8.792 -2.264 319 HD13 LEU 48 3HD1 LEU 48 -2.001 -9.935 -3.422 320 HD21 LEU 48 3HD2 LEU 48 -3.145 -6.283 -3.209 321 HD22 LEU 48 1HD2 LEU 48 -4.088 -7.135 -4.435 322 HD23 LEU 48 2HD2 LEU 48 -2.787 -6.047 -4.921 323 H LEU 49 H LEU 49 0.115 -4.666 -3.048 324 HA LEU 49 HA LEU 49 -2.179 -3.629 -1.591 325 HB2 LEU 49 2HB LEU 49 -0.859 -1.570 -1.056 326 HB3 LEU 49 1HB LEU 49 -0.305 -3.013 -0.245 327 HG LEU 49 HG LEU 49 1.475 -3.113 -2.128 328 HD11 LEU 49 1HD1 LEU 49 0.777 -0.188 -2.293 329 HD12 LEU 49 2HD1 LEU 49 0.481 -1.389 -3.544 330 HD13 LEU 49 3HD1 LEU 49 2.133 -1.001 -3.087 331 HD21 LEU 49 3HD2 LEU 49 2.967 -1.681 -0.829 332 HD22 LEU 49 1HD2 LEU 49 1.971 -2.698 0.211 333 HD23 LEU 49 2HD2 LEU 49 1.576 -0.993 0.010 334 H VAL 50 H VAL 50 -3.360 -2.127 -2.650 335 HA VAL 50 HA VAL 50 -2.539 -1.484 -5.419 336 HB VAL 50 HB VAL 50 -5.379 -1.788 -4.388 337 HG11 VAL 50 1HG1 VAL 50 -6.028 -1.768 -6.752 338 HG12 VAL 50 2HG1 VAL 50 -4.347 -1.478 -7.202 339 HG13 VAL 50 3HG1 VAL 50 -5.228 -0.272 -6.267 340 HG21 VAL 50 3HG2 VAL 50 -5.501 -3.880 -5.680 341 HG22 VAL 50 1HG2 VAL 50 -4.315 -3.972 -4.379 342 HG23 VAL 50 2HG2 VAL 50 -3.779 -3.744 -6.043 343 H VAL 51 H VAL 51 -2.524 0.682 -5.896 344 HA VAL 51 HA VAL 51 -3.381 2.542 -3.808 345 HB VAL 51 HB VAL 51 -2.356 3.212 -6.585 346 HG11 VAL 51 1HG1 VAL 51 -2.348 4.807 -4.023 347 HG12 VAL 51 2HG1 VAL 51 -3.430 5.044 -5.390 348 HG13 VAL 51 3HG1 VAL 51 -1.700 5.342 -5.575 349 HG21 VAL 51 3HG2 VAL 51 -0.690 1.787 -5.519 350 HG22 VAL 51 1HG2 VAL 51 -0.699 2.817 -4.088 351 HG23 VAL 51 2HG2 VAL 51 -0.101 3.448 -5.623 352 H LYS 52 H LYS 52 -5.360 3.133 -3.739 353 HA LYS 52 HA LYS 52 -7.033 2.681 -6.086 354 HB2 LYS 52 2HB LYS 52 -7.670 1.510 -4.010 355 HB3 LYS 52 1HB LYS 52 -7.861 3.057 -3.205 356 HG2 LYS 52 2HG LYS 52 -9.738 3.630 -4.567 357 HG3 LYS 52 1HG LYS 52 -9.461 2.256 -5.630 358 HD2 LYS 52 2HD LYS 52 -11.333 1.820 -4.142 359 HD3 LYS 52 1HD LYS 52 -10.006 0.727 -3.781 360 HE2 LYS 52 2HE LYS 52 -9.368 2.167 -1.884 361 HE3 LYS 52 1HE LYS 52 -10.723 3.229 -2.254 362 HZ1 LYS 52 3HZ LYS 52 -11.172 1.643 -0.459 363 HZ2 LYS 52 1HZ LYS 52 -10.979 0.359 -1.523 364 HZ3 LYS 52 2HZ LYS 52 -12.247 1.432 -1.753 365 H ARG 53 H ARG 53 -5.920 5.148 -3.963 366 HA ARG 53 HA ARG 53 -7.279 7.076 -5.694 367 HB2 ARG 53 2HB ARG 53 -8.650 6.773 -3.602 368 HB3 ARG 53 1HB ARG 53 -7.276 7.369 -2.682 369 HG2 ARG 53 2HG ARG 53 -7.413 9.509 -3.876 370 HG3 ARG 53 1HG ARG 53 -8.802 8.910 -4.777 371 HD2 ARG 53 2HD ARG 53 -9.981 8.589 -2.596 372 HD3 ARG 53 1HD ARG 53 -8.622 9.382 -1.800 373 HE ARG 53 HE ARG 53 -9.700 10.922 -3.945 374 HH11 ARG 53 1HH1 ARG 53 -10.128 10.232 -0.466 375 HH12 ARG 53 2HH1 ARG 53 -11.050 11.641 -0.222 376 HH21 ARG 53 1HH2 ARG 53 -10.979 12.814 -3.495 377 HH22 ARG 53 2HH2 ARG 53 -11.534 13.108 -1.911 378 H GLY 54 H GLY 54 -5.968 8.679 -6.303 379 HA2 GLY 54 2HA GLY 54 -4.286 10.308 -5.221 380 HA3 GLY 54 1HA GLY 54 -3.321 8.841 -5.070 381 HA PRO 55 HA PRO 55 -2.720 10.917 -9.349 382 HB2 PRO 55 2HB PRO 55 0.032 11.035 -9.061 383 HB3 PRO 55 1HB PRO 55 -1.058 12.391 -8.760 384 HG2 PRO 55 2HG PRO 55 0.139 10.454 -6.828 385 HG3 PRO 55 1HG PRO 55 -0.050 12.209 -6.669 386 HD2 PRO 55 2HD PRO 55 -1.719 10.567 -5.418 387 HD3 PRO 55 1HD PRO 55 -2.341 12.033 -6.201 388 H ASN 56 H ASN 56 -0.805 8.535 -7.553 389 HA ASN 56 HA ASN 56 -0.205 7.114 -10.013 390 HB2 ASN 56 2HB ASN 56 1.366 5.813 -8.585 391 HB3 ASN 56 1HB ASN 56 1.673 7.548 -8.565 392 HD21 ASN 56 1HD2 ASN 56 0.879 4.797 -6.728 393 HD22 ASN 56 2HD2 ASN 56 0.829 5.592 -5.186 394 H ALA 57 H ALA 57 -2.902 7.122 -8.685 395 HA ALA 57 HA ALA 57 -3.456 4.595 -7.567 396 HB1 ALA 57 1HB ALA 57 -4.964 6.516 -7.324 397 HB2 ALA 57 2HB ALA 57 -5.795 5.115 -8.000 398 HB3 ALA 57 3HB ALA 57 -5.320 6.450 -9.050 399 H GLY 58 H GLY 58 -4.301 2.762 -8.441 400 HA2 GLY 58 2HA GLY 58 -5.067 1.468 -10.305 401 HA3 GLY 58 1HA GLY 58 -4.139 2.526 -11.366 402 H ALA 59 H ALA 59 -2.030 2.465 -9.211 403 HA ALA 59 HA ALA 59 -0.563 0.268 -10.353 404 HB1 ALA 59 1HB ALA 59 1.299 1.074 -8.967 405 HB2 ALA 59 2HB ALA 59 0.214 2.233 -8.197 406 HB3 ALA 59 3HB ALA 59 0.575 2.364 -9.919 407 H ARG 60 H ARG 60 -0.263 -1.668 -9.491 408 HA ARG 60 HA ARG 60 -0.864 -2.055 -6.676 409 HB2 ARG 60 2HB ARG 60 -1.683 -4.381 -7.246 410 HB3 ARG 60 1HB ARG 60 -2.732 -3.079 -7.777 411 HG2 ARG 60 2HG ARG 60 -2.000 -3.344 -10.045 412 HG3 ARG 60 1HG ARG 60 -0.786 -4.534 -9.555 413 HD2 ARG 60 2HD ARG 60 -2.476 -6.094 -8.920 414 HD3 ARG 60 1HD ARG 60 -3.747 -4.893 -9.103 415 HE ARG 60 HE ARG 60 -3.202 -4.912 -11.509 416 HH11 ARG 60 1HH1 ARG 60 -2.241 -7.773 -9.638 417 HH12 ARG 60 2HH1 ARG 60 -2.541 -8.869 -10.890 418 HH21 ARG 60 1HH2 ARG 60 -3.641 -6.465 -13.225 419 HH22 ARG 60 2HH2 ARG 60 -3.365 -8.132 -12.960 420 H PHE 61 H PHE 61 0.527 -3.261 -5.562 421 HA PHE 61 HA PHE 61 2.856 -4.347 -6.998 422 HB2 PHE 61 2HB PHE 61 2.891 -2.643 -4.491 423 HB3 PHE 61 1HB PHE 61 4.288 -3.457 -5.166 424 HD1 PHE 61 1HD PHE 61 5.361 -2.607 -7.181 425 HD2 PHE 61 2HD PHE 61 1.985 -0.642 -5.484 426 HE1 PHE 61 1HE PHE 61 5.852 -0.603 -8.518 427 HE2 PHE 61 2HE PHE 61 2.474 1.360 -6.822 428 HZ PHE 61 HZ PHE 61 4.410 1.377 -8.337 429 H LEU 62 H LEU 62 3.670 -6.204 -6.078 430 HA LEU 62 HA LEU 62 2.088 -7.222 -3.867 431 HB2 LEU 62 2HB LEU 62 2.660 -9.540 -4.508 432 HB3 LEU 62 1HB LEU 62 1.796 -8.710 -5.761 433 HG LEU 62 HG LEU 62 3.369 -10.188 -6.746 434 HD11 LEU 62 1HD1 LEU 62 4.497 -7.449 -7.115 435 HD12 LEU 62 2HD1 LEU 62 3.104 -8.135 -7.946 436 HD13 LEU 62 3HD1 LEU 62 4.701 -8.835 -8.183 437 HD21 LEU 62 3HD2 LEU 62 5.546 -8.885 -5.122 438 HD22 LEU 62 1HD2 LEU 62 5.808 -10.062 -6.410 439 HD23 LEU 62 2HD2 LEU 62 4.935 -10.532 -4.953 440 H LEU 63 H LEU 63 3.065 -8.236 -2.105 441 HA LEU 63 HA LEU 63 5.662 -6.998 -1.663 442 HB2 LEU 63 2HB LEU 63 3.685 -8.118 0.309 443 HB3 LEU 63 1HB LEU 63 5.176 -7.287 0.713 444 HG LEU 63 HG LEU 63 2.793 -6.059 -0.679 445 HD11 LEU 63 1HD1 LEU 63 2.522 -4.783 1.371 446 HD12 LEU 63 2HD1 LEU 63 3.864 -5.666 2.101 447 HD13 LEU 63 3HD1 LEU 63 2.381 -6.518 1.666 448 HD21 LEU 63 3HD2 LEU 63 4.865 -5.026 -1.447 449 HD22 LEU 63 1HD2 LEU 63 5.393 -4.806 0.224 450 HD23 LEU 63 2HD2 LEU 63 3.989 -3.931 -0.385 451 H ASP 64 H ASP 64 7.361 -8.174 -1.861 452 HA ASP 64 HA ASP 64 7.356 -10.963 -0.878 453 HB2 ASP 64 2HB ASP 64 9.038 -11.539 -2.551 454 HB3 ASP 64 1HB ASP 64 7.650 -10.841 -3.371 455 H GLN 65 H GLN 65 8.153 -8.035 -0.118 456 HA GLN 65 HA GLN 65 10.890 -8.596 0.760 457 HB2 GLN 65 2HB GLN 65 11.162 -6.110 0.798 458 HB3 GLN 65 1HB GLN 65 10.885 -6.779 -0.804 459 HG2 GLN 65 2HG GLN 65 8.465 -6.172 -0.508 460 HG3 GLN 65 1HG GLN 65 8.947 -5.306 0.938 461 HE21 GLN 65 1HE2 GLN 65 9.163 -5.405 -2.511 462 HE22 GLN 65 2HE2 GLN 65 9.688 -3.776 -2.731 463 HA PRO 66 HA PRO 66 9.461 -8.347 4.926 464 HB2 PRO 66 2HB PRO 66 11.724 -7.614 6.209 465 HB3 PRO 66 1HB PRO 66 11.524 -9.222 5.495 466 HG2 PRO 66 2HG PRO 66 12.921 -6.820 4.372 467 HG3 PRO 66 1HG PRO 66 13.477 -8.501 4.429 468 HD2 PRO 66 2HD PRO 66 12.389 -7.424 2.210 469 HD3 PRO 66 1HD PRO 66 12.147 -9.130 2.638 470 H THR 67 H THR 67 10.637 -5.501 3.330 471 HA THR 67 HA THR 67 9.082 -3.867 5.107 472 HB THR 67 HB THR 67 12.068 -3.367 4.846 473 HG1 THR 67 1HG THR 67 10.594 -4.737 6.598 474 HG21 THR 67 3HG2 THR 67 10.777 -1.259 4.818 475 HG22 THR 67 1HG2 THR 67 11.672 -1.424 6.329 476 HG23 THR 67 2HG2 THR 67 9.941 -1.748 6.288 477 H THR 68 H THR 68 8.038 -2.500 3.953 478 HA THR 68 HA THR 68 9.143 -1.577 1.395 479 HB THR 68 HB THR 68 6.223 -1.943 2.122 480 HG1 THR 68 1HG THR 68 8.080 -3.535 0.717 481 HG21 THR 68 3HG2 THR 68 7.592 -1.533 -0.533 482 HG22 THR 68 1HG2 THR 68 6.698 -0.281 0.335 483 HG23 THR 68 2HG2 THR 68 5.855 -1.706 -0.282 484 H THR 69 H THR 69 9.675 0.568 1.662 485 HA THR 69 HA THR 69 8.303 2.089 3.703 486 HB THR 69 HB THR 69 10.658 2.882 1.944 487 HG1 THR 69 1HG THR 69 10.745 2.293 4.742 488 HG21 THR 69 3HG2 THR 69 9.411 4.847 2.784 489 HG22 THR 69 1HG2 THR 69 10.996 4.721 3.546 490 HG23 THR 69 2HG2 THR 69 9.552 4.226 4.429 491 H ALA 70 H ALA 70 6.934 3.817 3.340 492 HA ALA 70 HA ALA 70 6.186 4.251 0.545 493 HB1 ALA 70 1HB ALA 70 4.480 3.046 1.827 494 HB2 ALA 70 2HB ALA 70 3.923 4.654 1.354 495 HB3 ALA 70 3HB ALA 70 4.452 4.354 3.008 496 H GLY 71 H GLY 71 6.127 6.238 -0.153 497 HA2 GLY 71 2HA GLY 71 5.471 8.581 0.736 498 HA3 GLY 71 1HA GLY 71 7.001 8.378 1.595 499 H ARG 72 H ARG 72 8.324 9.723 0.582 500 HA ARG 72 HA ARG 72 8.688 9.372 -2.293 501 HB2 ARG 72 2HB ARG 72 7.907 11.585 -2.067 502 HB3 ARG 72 1HB ARG 72 8.761 11.834 -0.548 503 HG2 ARG 72 2HG ARG 72 10.282 11.508 -3.118 504 HG3 ARG 72 1HG ARG 72 9.536 13.055 -2.715 505 HD2 ARG 72 2HD ARG 72 10.873 13.282 -0.753 506 HD3 ARG 72 1HD ARG 72 11.366 11.601 -0.822 507 HE ARG 72 HE ARG 72 12.243 12.699 -3.149 508 HH11 ARG 72 1HH1 ARG 72 12.690 13.550 0.255 509 HH12 ARG 72 2HH1 ARG 72 14.350 13.914 0.113 510 HH21 ARG 72 1HH2 ARG 72 14.545 13.166 -3.342 511 HH22 ARG 72 2HH2 ARG 72 15.441 13.676 -1.987 512 H HIS 73 H HIS 73 10.555 8.479 -2.809 513 HA HIS 73 HA HIS 73 13.077 9.246 -2.095 514 HB2 HIS 73 2HB HIS 73 11.959 7.750 0.059 515 HB3 HIS 73 1HB HIS 73 13.082 6.681 -0.765 516 HD1 HIS 73 1HD HIS 73 14.565 6.821 1.437 517 HD2 HIS 73 2HD HIS 73 14.135 10.385 -0.663 518 HE1 HIS 73 1HE HIS 73 16.333 8.378 2.321 519 HA PRO 74 HA PRO 74 13.630 6.327 -5.422 520 HB2 PRO 74 2HB PRO 74 16.406 5.907 -4.492 521 HB3 PRO 74 1HB PRO 74 15.831 6.507 -6.051 522 HG2 PRO 74 2HG PRO 74 16.987 8.144 -4.289 523 HG3 PRO 74 1HG PRO 74 15.630 8.686 -5.294 524 HD2 PRO 74 2HD PRO 74 15.647 7.843 -2.421 525 HD3 PRO 74 1HD PRO 74 14.781 9.187 -3.201 526 H GLU 75 H GLU 75 14.783 5.515 -2.205 527 HA GLU 75 HA GLU 75 14.773 2.703 -2.829 528 HB2 GLU 75 2HB GLU 75 15.337 4.106 -0.222 529 HB3 GLU 75 1HB GLU 75 15.463 2.371 -0.465 530 HG2 GLU 75 2HG GLU 75 17.148 2.811 -2.244 531 HG3 GLU 75 1HG GLU 75 17.090 4.513 -1.798 532 H SER 76 H SER 76 12.400 4.860 -2.032 533 HA SER 76 HA SER 76 10.865 2.996 -0.465 534 HB2 SER 76 2HB SER 76 10.109 5.668 -1.696 535 HB3 SER 76 1HB SER 76 9.081 4.728 -0.608 536 HG SER 76 HG SER 76 10.375 6.428 0.407 537 H ASP 77 H ASP 77 10.083 1.329 -1.405 538 HA ASP 77 HA ASP 77 10.064 0.723 -4.107 539 HB2 ASP 77 2HB ASP 77 9.923 -0.831 -2.120 540 HB3 ASP 77 1HB ASP 77 8.209 -0.455 -2.038 541 H ILE 78 H ILE 78 7.438 1.897 -2.068 542 HA ILE 78 HA ILE 78 5.914 2.390 -4.485 543 HB ILE 78 HB ILE 78 3.883 2.581 -3.024 544 HG12 ILE 78 2HG1 ILE 78 5.689 1.390 -0.896 545 HG13 ILE 78 1HG1 ILE 78 5.049 3.029 -0.873 546 HG21 ILE 78 1HG2 ILE 78 3.660 0.152 -2.674 547 HG22 ILE 78 2HG2 ILE 78 5.384 -0.031 -3.010 548 HG23 ILE 78 3HG2 ILE 78 4.298 0.564 -4.266 549 HD11 ILE 78 3HD1 ILE 78 3.393 0.520 -0.814 550 HD12 ILE 78 1HD1 ILE 78 2.790 2.169 -0.688 551 HD13 ILE 78 2HD1 ILE 78 3.805 1.496 0.592 552 H PHE 79 H PHE 79 6.161 4.288 -5.207 553 HA PHE 79 HA PHE 79 6.874 6.488 -3.442 554 HB2 PHE 79 2HB PHE 79 8.224 5.919 -5.477 555 HB3 PHE 79 1HB PHE 79 6.837 6.356 -6.462 556 HD1 PHE 79 1HD PHE 79 6.196 8.712 -6.716 557 HD2 PHE 79 2HD PHE 79 9.569 7.567 -4.390 558 HE1 PHE 79 1HE PHE 79 7.010 11.036 -6.755 559 HE2 PHE 79 2HE PHE 79 10.383 9.878 -4.421 560 HZ PHE 79 HZ PHE 79 9.104 11.621 -5.601 561 H LEU 80 H LEU 80 5.478 7.997 -2.941 562 HA LEU 80 HA LEU 80 2.950 8.315 -4.460 563 HB2 LEU 80 2HB LEU 80 3.613 9.203 -1.633 564 HB3 LEU 80 1HB LEU 80 2.048 9.258 -2.408 565 HG LEU 80 HG LEU 80 3.515 6.752 -1.579 566 HD11 LEU 80 1HD1 LEU 80 1.745 6.538 0.090 567 HD12 LEU 80 2HD1 LEU 80 1.083 8.095 -0.414 568 HD13 LEU 80 3HD1 LEU 80 2.687 8.010 0.315 569 HD21 LEU 80 3HD2 LEU 80 1.434 5.583 -2.149 570 HD22 LEU 80 1HD2 LEU 80 2.140 6.363 -3.563 571 HD23 LEU 80 2HD2 LEU 80 0.751 7.090 -2.753 572 H ASP 81 H ASP 81 2.625 10.385 -5.323 573 HA ASP 81 HA ASP 81 4.901 12.198 -4.908 574 HB2 ASP 81 2HB ASP 81 4.863 11.195 -7.175 575 HB3 ASP 81 1HB ASP 81 3.288 11.931 -7.446 576 H ASP 82 H ASP 82 4.588 14.235 -4.481 577 HA ASP 82 HA ASP 82 2.216 15.688 -5.067 578 HB2 ASP 82 2HB ASP 82 1.573 14.466 -2.923 579 HB3 ASP 82 1HB ASP 82 2.916 15.278 -2.125 580 H VAL 83 H VAL 83 2.811 17.816 -3.168 581 HA VAL 83 HA VAL 83 4.915 19.093 -4.583 582 HB VAL 83 HB VAL 83 3.582 19.912 -1.979 583 HG11 VAL 83 1HG1 VAL 83 5.635 21.141 -2.388 584 HG12 VAL 83 2HG1 VAL 83 4.235 22.195 -2.602 585 HG13 VAL 83 3HG1 VAL 83 5.083 21.561 -4.008 586 HG21 VAL 83 3HG2 VAL 83 1.900 19.586 -3.711 587 HG22 VAL 83 1HG2 VAL 83 2.811 20.618 -4.814 588 HG23 VAL 83 2HG2 VAL 83 2.092 21.302 -3.354 589 H THR 84 H THR 84 4.527 17.670 -1.386 590 HA THR 84 HA THR 84 7.334 17.097 -1.234 591 HB THR 84 HB THR 84 6.082 18.901 0.868 592 HG1 THR 84 1HG THR 84 7.425 19.412 -1.416 593 HG21 THR 84 3HG2 THR 84 8.919 17.845 0.654 594 HG22 THR 84 1HG2 THR 84 7.700 17.287 1.804 595 HG23 THR 84 2HG2 THR 84 8.308 18.938 1.888 596 H VAL 85 H VAL 85 6.969 14.967 -0.960 597 HA VAL 85 HA VAL 85 5.146 14.103 1.174 598 HB VAL 85 HB VAL 85 6.486 12.408 -0.966 599 HG11 VAL 85 1HG1 VAL 85 4.160 11.777 0.852 600 HG12 VAL 85 2HG1 VAL 85 5.798 11.135 0.988 601 HG13 VAL 85 3HG1 VAL 85 4.802 10.718 -0.405 602 HG21 VAL 85 3HG2 VAL 85 3.685 13.509 -0.966 603 HG22 VAL 85 1HG2 VAL 85 4.340 12.366 -2.140 604 HG23 VAL 85 2HG2 VAL 85 5.001 14.000 -2.035 605 H SER 86 H SER 86 6.029 12.597 2.730 606 HA SER 86 HA SER 86 8.613 13.363 3.593 607 HB2 SER 86 2HB SER 86 6.738 12.806 5.138 608 HB3 SER 86 1HB SER 86 6.829 11.135 4.603 609 HG SER 86 HG SER 86 8.173 10.977 6.246 610 H ARG 87 H ARG 87 10.486 12.344 3.525 611 HA ARG 87 HA ARG 87 11.248 10.375 1.731 612 HB2 ARG 87 2HB ARG 87 13.279 10.085 3.328 613 HB3 ARG 87 1HB ARG 87 13.002 11.667 2.614 614 HG2 ARG 87 2HG ARG 87 11.901 12.399 4.699 615 HG3 ARG 87 1HG ARG 87 12.233 10.815 5.398 616 HD2 ARG 87 2HD ARG 87 14.534 11.210 5.481 617 HD3 ARG 87 1HD ARG 87 14.450 12.545 4.332 618 HE ARG 87 HE ARG 87 13.006 13.585 6.251 619 HH11 ARG 87 1HH1 ARG 87 16.092 11.860 6.591 620 HH12 ARG 87 2HH1 ARG 87 16.488 12.546 8.093 621 HH21 ARG 87 1HH2 ARG 87 13.610 14.633 8.243 622 HH22 ARG 87 2HH2 ARG 87 15.020 14.189 9.053 623 H ARG 88 H ARG 88 10.007 10.046 4.900 624 HA ARG 88 HA ARG 88 9.089 7.464 4.215 625 HB2 ARG 88 2HB ARG 88 9.736 6.528 6.528 626 HB3 ARG 88 1HB ARG 88 10.941 6.521 5.264 627 HG2 ARG 88 2HG ARG 88 12.149 8.273 6.268 628 HG3 ARG 88 1HG ARG 88 10.796 8.704 7.314 629 HD2 ARG 88 2HD ARG 88 12.799 7.349 8.287 630 HD3 ARG 88 1HD ARG 88 11.152 6.948 8.744 631 HE ARG 88 HE ARG 88 11.304 5.155 6.988 632 HH11 ARG 88 1HH1 ARG 88 14.265 6.301 8.537 633 HH12 ARG 88 2HH1 ARG 88 15.018 4.779 8.543 634 HH21 ARG 88 1HH2 ARG 88 12.279 3.096 6.971 635 HH22 ARG 88 2HH2 ARG 88 13.875 2.887 7.548 636 H HIS 89 H HIS 89 7.065 7.853 4.352 637 HA HIS 89 HA HIS 89 6.043 9.546 6.485 638 HB2 HIS 89 2HB HIS 89 5.180 9.625 4.086 639 HB3 HIS 89 1HB HIS 89 4.515 8.023 4.341 640 HD2 HIS 89 2HD HIS 89 2.489 8.041 6.534 641 HE1 HIS 89 1HE HIS 89 1.411 11.987 5.531 642 HE2 HIS 89 2HE HIS 89 0.740 9.930 6.796 643 H ALA 90 H ALA 90 5.669 6.262 5.218 644 HA ALA 90 HA ALA 90 5.484 5.191 7.881 645 HB1 ALA 90 1HB ALA 90 3.362 4.014 7.418 646 HB2 ALA 90 2HB ALA 90 3.213 4.894 5.899 647 HB3 ALA 90 3HB ALA 90 3.138 5.763 7.431 648 H GLU 91 H GLU 91 5.701 2.843 7.756 649 HA GLU 91 HA GLU 91 6.168 1.863 5.118 650 HB2 GLU 91 2HB GLU 91 8.372 0.800 5.726 651 HB3 GLU 91 1HB GLU 91 8.373 2.543 5.554 652 HG2 GLU 91 2HG GLU 91 8.322 2.759 7.990 653 HG3 GLU 91 1HG GLU 91 8.454 1.002 8.115 654 H PHE 92 H PHE 92 6.376 -0.363 4.924 655 HA PHE 92 HA PHE 92 4.495 -1.728 6.728 656 HB2 PHE 92 2HB PHE 92 5.390 -2.358 3.899 657 HB3 PHE 92 1HB PHE 92 4.222 -3.276 4.815 658 HD1 PHE 92 1HD PHE 92 4.722 0.275 3.688 659 HD2 PHE 92 2HD PHE 92 2.042 -2.985 4.232 660 HE1 PHE 92 1HE PHE 92 2.926 1.582 2.641 661 HE2 PHE 92 2HE PHE 92 0.239 -1.681 3.195 662 HZ PHE 92 HZ PHE 92 0.682 0.609 2.394 663 H ARG 93 H ARG 93 5.360 -3.323 7.907 664 HA ARG 93 HA ARG 93 7.844 -4.504 6.935 665 HB2 ARG 93 2HB ARG 93 7.089 -4.070 9.828 666 HB3 ARG 93 1HB ARG 93 8.534 -4.897 9.260 667 HG2 ARG 93 2HG ARG 93 9.175 -2.782 8.102 668 HG3 ARG 93 1HG ARG 93 7.831 -1.998 8.930 669 HD2 ARG 93 2HD ARG 93 10.227 -3.315 10.198 670 HD3 ARG 93 1HD ARG 93 9.851 -1.596 10.109 671 HE ARG 93 HE ARG 93 7.947 -3.293 11.489 672 HH11 ARG 93 1HH1 ARG 93 10.596 -0.950 11.699 673 HH12 ARG 93 2HH1 ARG 93 10.306 -0.579 13.339 674 HH21 ARG 93 1HH2 ARG 93 7.555 -2.808 13.646 675 HH22 ARG 93 2HH2 ARG 93 8.514 -1.659 14.498 676 H ILE 94 H ILE 94 7.760 -6.524 6.583 677 HA ILE 94 HA ILE 94 5.469 -8.027 7.619 678 HB ILE 94 HB ILE 94 7.055 -8.573 5.071 679 HG12 ILE 94 2HG1 ILE 94 4.778 -8.047 3.921 680 HG13 ILE 94 1HG1 ILE 94 4.366 -7.237 5.426 681 HG21 ILE 94 1HG2 ILE 94 6.166 -10.575 6.073 682 HG22 ILE 94 2HG2 ILE 94 5.325 -10.222 4.564 683 HG23 ILE 94 3HG2 ILE 94 4.550 -9.874 6.111 684 HD11 ILE 94 3HD1 ILE 94 5.120 -5.637 3.773 685 HD12 ILE 94 1HD1 ILE 94 6.643 -6.516 3.588 686 HD13 ILE 94 2HD1 ILE 94 6.263 -5.718 5.112 687 H ASN 95 H ASN 95 6.171 -9.273 9.187 688 HA ASN 95 HA ASN 95 8.688 -10.697 8.868 689 HB2 ASN 95 2HB ASN 95 9.333 -8.730 10.142 690 HB3 ASN 95 1HB ASN 95 8.015 -8.989 11.275 691 HD21 ASN 95 1HD2 ASN 95 11.135 -10.152 10.191 692 HD22 ASN 95 2HD2 ASN 95 11.471 -11.104 11.579 693 H GLU 96 H GLU 96 8.548 -12.719 9.433 694 HA GLU 96 HA GLU 96 7.728 -14.733 10.052 695 HB2 GLU 96 2HB GLU 96 6.714 -13.166 12.425 696 HB3 GLU 96 1HB GLU 96 6.800 -14.914 12.330 697 HG2 GLU 96 2HG GLU 96 9.270 -14.687 12.028 698 HG3 GLU 96 1HG GLU 96 9.078 -12.969 12.372 699 H GLY 97 H GLY 97 6.098 -13.237 8.301 700 HA2 GLY 97 2HA GLY 97 4.099 -13.743 7.233 701 HA3 GLY 97 1HA GLY 97 3.650 -14.740 8.604 702 H GLU 98 H GLU 98 4.534 -11.844 9.947 703 HA GLU 98 HA GLU 98 1.768 -10.977 10.083 704 HB2 GLU 98 2HB GLU 98 4.213 -10.245 11.683 705 HB3 GLU 98 1HB GLU 98 2.563 -9.758 12.036 706 HG2 GLU 98 2HG GLU 98 3.495 -12.594 11.933 707 HG3 GLU 98 1HG GLU 98 3.442 -11.646 13.406 708 H PHE 99 H PHE 99 1.190 -9.002 9.406 709 HA PHE 99 HA PHE 99 3.177 -7.431 7.898 710 HB2 PHE 99 2HB PHE 99 0.169 -7.442 7.574 711 HB3 PHE 99 1HB PHE 99 1.360 -6.745 6.487 712 HD1 PHE 99 2HD PHE 99 2.646 -8.214 4.981 713 HD2 PHE 99 1HD PHE 99 -0.389 -9.762 7.523 714 HE1 PHE 99 2HE PHE 99 2.593 -10.282 3.655 715 HE2 PHE 99 1HE PHE 99 -0.453 -11.831 6.200 716 HZ PHE 99 HZ PHE 99 1.042 -12.095 4.261 717 H GLU 100 H GLU 100 3.661 -5.550 9.036 718 HA GLU 100 HA GLU 100 1.392 -4.269 10.393 719 HB2 GLU 100 2HB GLU 100 2.822 -3.481 12.178 720 HB3 GLU 100 1HB GLU 100 2.975 -5.227 12.077 721 HG2 GLU 100 2HG GLU 100 5.112 -5.040 11.001 722 HG3 GLU 100 1HG GLU 100 4.932 -3.299 10.850 723 H VAL 101 H VAL 101 1.284 -2.049 10.210 724 HA VAL 101 HA VAL 101 3.352 -0.846 8.517 725 HB VAL 101 HB VAL 101 0.430 -0.038 8.809 726 HG11 VAL 101 1HG1 VAL 101 2.631 1.357 7.251 727 HG12 VAL 101 2HG1 VAL 101 1.859 1.984 8.707 728 HG13 VAL 101 3HG1 VAL 101 0.922 1.788 7.226 729 HG21 VAL 101 3HG2 VAL 101 0.359 -0.447 6.412 730 HG22 VAL 101 1HG2 VAL 101 0.849 -1.888 7.304 731 HG23 VAL 101 2HG2 VAL 101 2.056 -0.928 6.446 732 H VAL 102 H VAL 102 4.567 0.561 9.422 733 HA VAL 102 HA VAL 102 3.705 1.642 11.980 734 HB VAL 102 HB VAL 102 6.109 1.685 12.668 735 HG11 VAL 102 1HG1 VAL 102 4.974 -1.026 12.005 736 HG12 VAL 102 2HG1 VAL 102 4.674 -0.085 13.468 737 HG13 VAL 102 3HG1 VAL 102 6.282 -0.727 13.148 738 HG21 VAL 102 3HG2 VAL 102 7.728 0.261 11.475 739 HG22 VAL 102 1HG2 VAL 102 7.167 1.588 10.456 740 HG23 VAL 102 2HG2 VAL 102 6.533 -0.039 10.216 741 H ASP 103 H ASP 103 3.786 3.753 12.199 742 HA ASP 103 HA ASP 103 4.669 5.435 10.063 743 HB2 ASP 103 2HB ASP 103 2.788 5.977 11.703 744 HB3 ASP 103 1HB ASP 103 4.034 6.229 12.913 745 H VAL 104 H VAL 104 6.573 6.401 9.956 746 HA VAL 104 HA VAL 104 8.458 5.741 12.087 747 HB VAL 104 HB VAL 104 10.211 5.683 10.196 748 HG11 VAL 104 1HG1 VAL 104 9.460 3.711 11.455 749 HG12 VAL 104 2HG1 VAL 104 9.682 3.314 9.748 750 HG13 VAL 104 3HG1 VAL 104 8.061 3.573 10.394 751 HG21 VAL 104 3HG2 VAL 104 8.762 6.640 8.456 752 HG22 VAL 104 1HG2 VAL 104 7.679 5.254 8.604 753 HG23 VAL 104 2HG2 VAL 104 9.322 5.021 8.009 754 H GLY 105 H GLY 105 6.867 8.233 11.353 755 HA2 GLY 105 2HA GLY 105 7.942 10.184 12.497 756 HA3 GLY 105 1HA GLY 105 9.230 9.975 11.332 757 H SER 106 H SER 106 5.704 9.805 10.747 758 HA SER 106 HA SER 106 6.146 11.793 8.696 759 HB2 SER 106 2HB SER 106 3.924 11.326 7.942 760 HB3 SER 106 1HB SER 106 4.632 9.765 8.360 761 HG SER 106 HG SER 106 3.279 9.556 9.967 762 H LEU 107 H LEU 107 5.337 13.830 8.779 763 HA LEU 107 HA LEU 107 4.325 14.710 11.366 764 HB2 LEU 107 2HB LEU 107 5.365 16.294 9.012 765 HB3 LEU 107 1HB LEU 107 4.688 17.019 10.453 766 HG LEU 107 HG LEU 107 7.001 17.217 10.662 767 HD11 LEU 107 1HD1 LEU 107 6.192 14.853 12.306 768 HD12 LEU 107 2HD1 LEU 107 5.919 16.553 12.690 769 HD13 LEU 107 3HD1 LEU 107 7.562 15.917 12.610 770 HD21 LEU 107 3HD2 LEU 107 7.735 15.639 8.967 771 HD22 LEU 107 1HD2 LEU 107 7.264 14.290 10.001 772 HD23 LEU 107 2HD2 LEU 107 8.584 15.351 10.487 773 H ASN 108 H ASN 108 3.340 13.973 8.257 774 HA ASN 108 HA ASN 108 1.132 15.832 8.246 775 HB2 ASN 108 2HB ASN 108 1.896 13.731 6.213 776 HB3 ASN 108 1HB ASN 108 0.634 14.939 5.995 777 HD21 ASN 108 1HD2 ASN 108 1.589 15.897 4.200 778 HD22 ASN 108 2HD2 ASN 108 3.083 16.770 4.297 779 H GLY 109 H GLY 109 1.694 12.517 9.113 780 HA2 GLY 109 2HA GLY 109 0.179 11.528 10.639 781 HA3 GLY 109 1HA GLY 109 -1.119 12.443 9.898 782 H THR 110 H THR 110 0.137 9.468 10.244 783 HA THR 110 HA THR 110 -0.717 8.412 7.697 784 HB THR 110 HB THR 110 0.269 7.030 10.219 785 HG1 THR 110 1HG THR 110 2.138 7.744 9.502 786 HG21 THR 110 3HG2 THR 110 -1.073 5.527 8.790 787 HG22 THR 110 1HG2 THR 110 0.633 5.078 8.764 788 HG23 THR 110 2HG2 THR 110 -0.069 5.954 7.405 789 H TYR 111 H TYR 111 -2.785 7.524 7.348 790 HA TYR 111 HA TYR 111 -4.428 7.196 9.731 791 HB2 TYR 111 2HB TYR 111 -5.168 8.272 7.011 792 HB3 TYR 111 1HB TYR 111 -6.374 7.644 8.127 793 HD1 TYR 111 2HD TYR 111 -3.870 10.337 7.600 794 HD2 TYR 111 1HD TYR 111 -7.108 8.927 9.970 795 HE1 TYR 111 2HE TYR 111 -4.030 12.539 8.700 796 HE2 TYR 111 1HE TYR 111 -7.276 11.110 11.066 797 HH TYR 111 HH TYR 111 -5.806 13.000 11.525 798 H VAL 112 H VAL 112 -5.173 5.269 10.018 799 HA VAL 112 HA VAL 112 -5.089 3.395 7.758 800 HB VAL 112 HB VAL 112 -4.844 2.772 10.736 801 HG11 VAL 112 1HG1 VAL 112 -4.714 0.869 8.388 802 HG12 VAL 112 2HG1 VAL 112 -6.107 1.076 9.434 803 HG13 VAL 112 3HG1 VAL 112 -4.600 0.452 10.106 804 HG21 VAL 112 3HG2 VAL 112 -2.587 1.998 10.169 805 HG22 VAL 112 1HG2 VAL 112 -2.799 3.703 9.765 806 HG23 VAL 112 2HG2 VAL 112 -2.844 2.482 8.493 807 H ASN 113 H ASN 113 -6.963 2.876 7.039 808 HA ASN 113 HA ASN 113 -9.149 2.940 6.635 809 HB2 ASN 113 2HB ASN 113 -9.302 1.936 9.498 810 HB3 ASN 113 1HB ASN 113 -10.664 1.955 8.381 811 HD21 ASN 113 1HD2 ASN 113 -7.800 0.361 9.330 812 HD22 ASN 113 2HD2 ASN 113 -7.926 -0.976 8.248 813 H ARG 114 H ARG 114 -7.996 5.272 7.292 814 HA ARG 114 HA ARG 114 -8.453 7.443 7.548 815 HB2 ARG 114 2HB ARG 114 -11.318 6.491 7.698 816 HB3 ARG 114 1HB ARG 114 -10.844 8.185 7.585 817 HG2 ARG 114 2HG ARG 114 -9.916 7.892 5.432 818 HG3 ARG 114 1HG ARG 114 -9.963 6.136 5.574 819 HD2 ARG 114 2HD ARG 114 -12.332 7.984 5.371 820 HD3 ARG 114 1HD ARG 114 -11.718 6.930 4.097 821 HE ARG 114 HE ARG 114 -13.172 6.153 6.483 822 HH11 ARG 114 1HH1 ARG 114 -11.496 5.077 3.532 823 HH12 ARG 114 2HH1 ARG 114 -12.103 3.493 3.581 824 HH21 ARG 114 1HH2 ARG 114 -14.052 3.994 6.512 825 HH22 ARG 114 2HH2 ARG 114 -13.667 2.900 5.287 826 H GLU 115 H GLU 115 -8.170 5.509 9.925 827 HA GLU 115 HA GLU 115 -9.051 7.330 12.049 828 HB2 GLU 115 2HB GLU 115 -7.693 4.634 12.238 829 HB3 GLU 115 1HB GLU 115 -8.389 5.550 13.555 830 HG2 GLU 115 2HG GLU 115 -10.618 5.165 12.639 831 HG3 GLU 115 1HG GLU 115 -9.904 4.263 11.297 832 HA PRO 116 HA PRO 116 -4.768 8.835 12.177 833 HB2 PRO 116 2HB PRO 116 -4.750 9.542 14.871 834 HB3 PRO 116 1HB PRO 116 -5.351 10.579 13.575 835 HG2 PRO 116 2HG PRO 116 -6.873 8.819 15.446 836 HG3 PRO 116 1HG PRO 116 -7.281 10.438 14.853 837 HD2 PRO 116 2HD PRO 116 -8.446 8.233 13.863 838 HD3 PRO 116 1HD PRO 116 -8.069 9.627 12.829 839 H ARG 117 H ARG 117 -3.021 7.511 12.390 840 HA ARG 117 HA ARG 117 -2.989 5.590 14.575 841 HB2 ARG 117 2HB ARG 117 -4.292 4.642 12.653 842 HB3 ARG 117 1HB ARG 117 -2.829 4.753 11.690 843 HG2 ARG 117 2HG ARG 117 -2.994 2.543 12.413 844 HG3 ARG 117 1HG ARG 117 -1.730 3.282 13.405 845 HD2 ARG 117 2HD ARG 117 -3.136 1.956 14.828 846 HD3 ARG 117 1HD ARG 117 -3.441 3.655 15.181 847 HE ARG 117 HE ARG 117 -5.282 2.850 13.253 848 HH11 ARG 117 1HH1 ARG 117 -4.553 2.223 16.666 849 HH12 ARG 117 2HH1 ARG 117 -6.124 1.728 17.050 850 HH21 ARG 117 1HH2 ARG 117 -7.546 2.156 13.831 851 HH22 ARG 117 2HH2 ARG 117 -7.798 1.694 15.427 852 H ASN 118 H ASN 118 -0.922 5.062 15.116 853 HA ASN 118 HA ASN 118 1.227 6.179 13.492 854 HB2 ASN 118 2HB ASN 118 1.182 6.676 15.962 855 HB3 ASN 118 1HB ASN 118 1.379 4.959 16.265 856 HD21 ASN 118 1HD2 ASN 118 3.403 4.036 16.027 857 HD22 ASN 118 2HD2 ASN 118 4.828 4.951 15.728 858 H ALA 119 H ALA 119 0.507 3.153 15.271 859 HA ALA 119 HA ALA 119 1.612 1.730 12.969 860 HB1 ALA 119 1HB ALA 119 2.325 1.120 15.838 861 HB2 ALA 119 2HB ALA 119 3.405 1.829 14.636 862 HB3 ALA 119 3HB ALA 119 2.807 0.181 14.429 863 H GLN 120 H GLN 120 0.572 -0.120 12.478 864 HA GLN 120 HA GLN 120 -1.287 -1.284 14.360 865 HB2 GLN 120 2HB GLN 120 -2.288 0.710 12.810 866 HB3 GLN 120 1HB GLN 120 -2.571 -0.670 11.762 867 HG2 GLN 120 2HG GLN 120 -3.569 -0.402 14.608 868 HG3 GLN 120 1HG GLN 120 -4.524 -0.113 13.162 869 HE21 GLN 120 1HE2 GLN 120 -5.209 -1.857 11.958 870 HE22 GLN 120 2HE2 GLN 120 -5.118 -3.471 12.519 871 H VAL 121 H VAL 121 -1.751 -3.390 13.845 872 HA VAL 121 HA VAL 121 -0.058 -4.646 11.861 873 HB VAL 121 HB VAL 121 -2.084 -5.862 13.791 874 HG11 VAL 121 1HG1 VAL 121 -0.954 -7.994 13.347 875 HG12 VAL 121 2HG1 VAL 121 0.077 -7.203 12.154 876 HG13 VAL 121 3HG1 VAL 121 -1.659 -7.324 11.876 877 HG21 VAL 121 3HG2 VAL 121 -0.143 -6.509 15.131 878 HG22 VAL 121 1HG2 VAL 121 -0.261 -4.758 14.959 879 HG23 VAL 121 2HG2 VAL 121 0.920 -5.661 14.007 880 H MET 122 H MET 122 -0.811 -5.431 9.950 881 HA MET 122 HA MET 122 -3.368 -4.280 9.128 882 HB2 MET 122 2HB MET 122 -1.197 -5.554 7.493 883 HB3 MET 122 1HB MET 122 -2.639 -4.801 6.857 884 HG2 MET 122 2HG MET 122 -0.538 -3.350 8.445 885 HG3 MET 122 1HG MET 122 -0.530 -3.482 6.695 886 HE1 MET 122 3HE MET 122 -3.528 -2.454 9.388 887 HE2 MET 122 1HE MET 122 -3.219 -0.742 9.219 888 HE3 MET 122 2HE MET 122 -1.953 -1.805 9.843 889 H GLN 123 H GLN 123 -4.948 -5.267 8.197 890 HA GLN 123 HA GLN 123 -4.909 -8.192 8.055 891 HB2 GLN 123 2HB GLN 123 -7.286 -8.194 8.436 892 HB3 GLN 123 1HB GLN 123 -6.579 -7.211 9.710 893 HG2 GLN 123 2HG GLN 123 -7.223 -5.185 8.556 894 HG3 GLN 123 1HG GLN 123 -7.811 -6.128 7.197 895 HE21 GLN 123 1HE2 GLN 123 -9.720 -7.158 7.336 896 HE22 GLN 123 2HE2 GLN 123 -10.854 -6.879 8.605 897 H THR 124 H THR 124 -6.002 -8.964 6.176 898 HA THR 124 HA THR 124 -5.682 -7.401 3.879 899 HB THR 124 HB THR 124 -5.734 -9.864 3.813 900 HG1 THR 124 1HG THR 124 -7.623 -9.889 2.126 901 HG21 THR 124 3HG2 THR 124 -7.865 -11.080 3.985 902 HG22 THR 124 1HG2 THR 124 -8.672 -9.579 4.434 903 HG23 THR 124 2HG2 THR 124 -7.449 -10.273 5.495 904 H GLY 125 H GLY 125 -7.026 -5.974 2.905 905 HA2 GLY 125 2HA GLY 125 -9.160 -5.094 2.371 906 HA3 GLY 125 1HA GLY 125 -9.785 -5.768 3.868 907 H ASP 126 H ASP 126 -6.870 -4.428 4.682 908 HA ASP 126 HA ASP 126 -8.159 -2.119 5.795 909 HB2 ASP 126 2HB ASP 126 -5.334 -3.121 5.954 910 HB3 ASP 126 1HB ASP 126 -5.712 -1.476 6.439 911 H GLU 127 H GLU 127 -7.982 -0.051 5.314 912 HA GLU 127 HA GLU 127 -6.683 0.599 2.749 913 HB2 GLU 127 2HB GLU 127 -8.928 2.060 4.175 914 HB3 GLU 127 1HB GLU 127 -8.198 2.543 2.662 915 HG2 GLU 127 2HG GLU 127 -9.073 0.477 1.630 916 HG3 GLU 127 1HG GLU 127 -9.872 0.091 3.157 917 H ILE 128 H ILE 128 -5.021 1.928 2.919 918 HA ILE 128 HA ILE 128 -4.598 3.435 5.431 919 HB ILE 128 HB ILE 128 -2.568 2.684 3.294 920 HG12 ILE 128 2HG1 ILE 128 -3.008 1.439 6.018 921 HG13 ILE 128 1HG1 ILE 128 -3.488 0.709 4.495 922 HG21 ILE 128 1HG2 ILE 128 -2.001 4.706 4.576 923 HG22 ILE 128 2HG2 ILE 128 -0.914 3.376 4.977 924 HG23 ILE 128 3HG2 ILE 128 -2.215 3.814 6.083 925 HD11 ILE 128 3HD1 ILE 128 -1.445 -0.257 5.319 926 HD12 ILE 128 1HD1 ILE 128 -0.681 1.333 5.358 927 HD13 ILE 128 2HD1 ILE 128 -1.147 0.619 3.815 928 H GLN 129 H GLN 129 -4.901 5.458 5.332 929 HA GLN 129 HA GLN 129 -5.273 6.700 2.709 930 HB2 GLN 129 2HB GLN 129 -7.164 6.417 4.518 931 HB3 GLN 129 1HB GLN 129 -6.342 7.734 5.325 932 HG2 GLN 129 2HG GLN 129 -7.473 7.875 2.532 933 HG3 GLN 129 1HG GLN 129 -8.314 8.403 3.974 934 HE21 GLN 129 1HE2 GLN 129 -7.652 9.886 1.640 935 HE22 GLN 129 2HE2 GLN 129 -6.661 11.216 2.174 936 H ILE 130 H ILE 130 -3.636 7.966 2.230 937 HA ILE 130 HA ILE 130 -2.166 9.288 4.429 938 HB ILE 130 HB ILE 130 -1.118 8.463 1.698 939 HG12 ILE 130 2HG1 ILE 130 -1.370 6.502 3.138 940 HG13 ILE 130 1HG1 ILE 130 0.336 6.861 2.893 941 HG21 ILE 130 1HG2 ILE 130 -0.056 10.498 2.423 942 HG22 ILE 130 2HG2 ILE 130 1.090 9.160 2.488 943 HG23 ILE 130 3HG2 ILE 130 0.356 9.765 3.976 944 HD11 ILE 130 3HD1 ILE 130 -1.293 7.480 5.351 945 HD12 ILE 130 1HD1 ILE 130 0.407 7.899 5.119 946 HD13 ILE 130 2HD1 ILE 130 -0.087 6.206 5.181 947 H GLY 131 H GLY 131 -3.206 11.209 4.430 948 HA2 GLY 131 2HA GLY 131 -3.631 13.383 3.795 949 HA3 GLY 131 1HA GLY 131 -2.591 13.111 2.415 950 H LYS 132 H LYS 132 -3.567 11.836 0.670 951 HA LYS 132 HA LYS 132 -6.442 12.117 0.268 952 HB2 LYS 132 2HB LYS 132 -6.020 13.255 -1.939 953 HB3 LYS 132 1HB LYS 132 -5.667 14.245 -0.529 954 HG2 LYS 132 2HG LYS 132 -3.286 13.720 -0.776 955 HG3 LYS 132 1HG LYS 132 -3.659 12.769 -2.211 956 HD2 LYS 132 2HD LYS 132 -4.444 14.719 -3.367 957 HD3 LYS 132 1HD LYS 132 -4.295 15.698 -1.905 958 HE2 LYS 132 2HE LYS 132 -1.888 15.324 -1.896 959 HE3 LYS 132 1HE LYS 132 -2.033 14.331 -3.344 960 HZ1 LYS 132 3HZ LYS 132 -2.787 17.201 -3.222 961 HZ2 LYS 132 1HZ LYS 132 -2.666 16.226 -4.601 962 HZ3 LYS 132 2HZ LYS 132 -1.288 16.613 -3.691 963 H PHE 133 H PHE 133 -4.136 10.114 0.445 964 HA PHE 133 HA PHE 133 -4.483 8.715 -2.115 965 HB2 PHE 133 2HB PHE 133 -2.367 8.496 0.029 966 HB3 PHE 133 1HB PHE 133 -2.518 7.367 -1.299 967 HD1 PHE 133 2HD PHE 133 -1.780 10.899 -0.439 968 HD2 PHE 133 1HD PHE 133 -1.538 7.824 -3.363 969 HE1 PHE 133 2HE PHE 133 -0.228 12.280 -1.758 970 HE2 PHE 133 1HE PHE 133 0.013 9.187 -4.675 971 HZ PHE 133 HZ PHE 133 0.675 11.411 -3.884 972 H ARG 134 H ARG 134 -5.122 6.599 -2.033 973 HA ARG 134 HA ARG 134 -5.612 5.429 0.616 974 HB2 ARG 134 2HB ARG 134 -7.434 5.194 -1.780 975 HB3 ARG 134 1HB ARG 134 -7.480 4.079 -0.435 976 HG2 ARG 134 2HG ARG 134 -8.016 6.051 1.035 977 HG3 ARG 134 1HG ARG 134 -8.215 6.994 -0.452 978 HD2 ARG 134 2HD ARG 134 -9.852 5.345 -1.258 979 HD3 ARG 134 1HD ARG 134 -9.683 4.452 0.246 980 HE ARG 134 HE ARG 134 -10.499 7.224 0.442 981 HH11 ARG 134 1HH1 ARG 134 -11.473 3.755 0.734 982 HH12 ARG 134 2HH1 ARG 134 -13.066 4.135 1.126 983 HH21 ARG 134 1HH2 ARG 134 -12.682 7.624 1.076 984 HH22 ARG 134 2HH2 ARG 134 -13.779 6.330 1.383 985 H LEU 135 H LEU 135 -4.383 3.790 0.855 986 HA LEU 135 HA LEU 135 -3.613 2.149 -1.452 987 HB2 LEU 135 2HB LEU 135 -2.489 2.208 1.353 988 HB3 LEU 135 1HB LEU 135 -1.862 1.291 0.006 989 HG LEU 135 HG LEU 135 -1.902 4.287 0.158 990 HD11 LEU 135 1HD1 LEU 135 0.533 4.090 0.515 991 HD12 LEU 135 2HD1 LEU 135 0.373 2.337 0.585 992 HD13 LEU 135 3HD1 LEU 135 -0.379 3.342 1.824 993 HD21 LEU 135 3HD2 LEU 135 -0.370 4.165 -1.756 994 HD22 LEU 135 1HD2 LEU 135 -1.942 3.460 -2.124 995 HD23 LEU 135 2HD2 LEU 135 -0.562 2.413 -1.789 996 H VAL 136 H VAL 136 -4.403 0.153 -1.491 997 HA VAL 136 HA VAL 136 -6.013 -0.705 0.814 998 HB VAL 136 HB VAL 136 -6.291 -1.590 -2.078 999 HG11 VAL 136 1HG1 VAL 136 -8.366 -2.653 -1.345 1000 HG12 VAL 136 2HG1 VAL 136 -8.071 -2.105 0.307 1001 HG13 VAL 136 3HG1 VAL 136 -6.986 -3.276 -0.435 1002 HG21 VAL 136 3HG2 VAL 136 -8.370 -0.283 -2.105 1003 HG22 VAL 136 1HG2 VAL 136 -6.962 0.739 -1.820 1004 HG23 VAL 136 2HG2 VAL 136 -8.019 0.300 -0.479 1005 H PHE 137 H PHE 137 -5.174 -2.301 1.891 1006 HA PHE 137 HA PHE 137 -3.013 -3.853 0.711 1007 HB2 PHE 137 2HB PHE 137 -2.610 -2.731 2.868 1008 HB3 PHE 137 1HB PHE 137 -3.992 -3.559 3.565 1009 HD1 PHE 137 2HD PHE 137 -0.557 -3.935 2.349 1010 HD2 PHE 137 1HD PHE 137 -3.823 -5.825 4.311 1011 HE1 PHE 137 2HE PHE 137 0.928 -5.753 3.070 1012 HE2 PHE 137 1HE PHE 137 -2.345 -7.646 5.034 1013 HZ PHE 137 HZ PHE 137 0.034 -7.611 4.409 1014 H LEU 138 H LEU 138 -3.474 -5.853 -0.014 1015 HA LEU 138 HA LEU 138 -5.781 -7.257 1.137 1016 HB2 LEU 138 2HB LEU 138 -5.042 -7.077 -1.785 1017 HB3 LEU 138 1HB LEU 138 -6.249 -8.156 -1.129 1018 HG LEU 138 HG LEU 138 -6.413 -5.142 -1.059 1019 HD11 LEU 138 1HD1 LEU 138 -7.820 -7.135 -2.835 1020 HD12 LEU 138 2HD1 LEU 138 -6.573 -5.993 -3.336 1021 HD13 LEU 138 3HD1 LEU 138 -8.135 -5.402 -2.773 1022 HD21 LEU 138 3HD2 LEU 138 -8.746 -5.530 -0.409 1023 HD22 LEU 138 1HD2 LEU 138 -7.632 -6.204 0.776 1024 HD23 LEU 138 2HD2 LEU 138 -8.450 -7.266 -0.369 1025 H ALA 139 H ALA 139 -5.399 -9.318 1.598 1026 HA ALA 139 HA ALA 139 -2.808 -10.452 0.917 1027 HB1 ALA 139 1HB ALA 139 -3.531 -12.334 2.358 1028 HB2 ALA 139 2HB ALA 139 -5.100 -11.561 2.570 1029 HB3 ALA 139 3HB ALA 139 -3.646 -10.796 3.218 1030 H GLY 140 H GLY 140 -2.653 -11.654 -0.887 1031 HA2 GLY 140 2HA GLY 140 -5.054 -12.882 -1.940 1032 HA3 GLY 140 1HA GLY 140 -4.394 -11.534 -2.844 1033 HA PRO 141 HA PRO 141 -2.378 -14.998 -4.876 1034 HB2 PRO 141 2HB PRO 141 -1.716 -12.948 -6.860 1035 HB3 PRO 141 1HB PRO 141 -2.639 -14.440 -7.065 1036 HG2 PRO 141 2HG PRO 141 -3.788 -12.022 -7.136 1037 HG3 PRO 141 1HG PRO 141 -4.619 -13.433 -6.449 1038 HD2 PRO 141 2HD PRO 141 -3.214 -11.188 -5.064 1039 HD3 PRO 141 1HD PRO 141 -4.760 -11.988 -4.681 1040 H ALA 142 H ALA 142 -0.315 -15.472 -5.596 1041 HA ALA 142 HA ALA 142 1.859 -13.627 -4.979 1042 HB1 ALA 142 1HB ALA 142 3.197 -15.568 -4.199 1043 HB2 ALA 142 2HB ALA 142 1.787 -16.605 -4.396 1044 HB3 ALA 142 3HB ALA 142 1.774 -15.330 -3.181 1045 H GLU 143 H GLU 143 1.381 -13.241 -7.288 1046 HA GLU 143 HA GLU 143 1.746 -15.324 -9.149 1047 HB2 GLU 143 2HB GLU 143 1.331 -12.365 -9.371 1048 HB3 GLU 143 1HB GLU 143 1.377 -13.482 -10.720 1049 HG2 GLU 143 2HG GLU 143 -0.595 -13.582 -8.454 1050 HG3 GLU 143 1HG GLU 143 -0.922 -12.899 -10.042 Start of MODEL 6 1 H1 MET 1 1HT MET 1 25.778 -0.987 -11.405 2 H2 MET 1 2HT MET 1 26.200 0.441 -12.196 3 H3 MET 1 3HT MET 1 24.586 0.148 -11.732 4 HA MET 1 HA MET 1 26.833 0.410 -9.880 5 HB2 MET 1 2HB MET 1 24.630 2.380 -10.540 6 HB3 MET 1 1HB MET 1 25.653 2.511 -9.130 7 HG2 MET 1 2HG MET 1 26.510 4.008 -10.747 8 HG3 MET 1 1HG MET 1 27.618 2.645 -10.671 9 HE1 MET 1 2HE MET 1 24.905 4.545 -12.751 10 HE2 MET 1 3HE MET 1 24.103 2.995 -12.513 11 HE3 MET 1 1HE MET 1 24.649 3.465 -14.120 12 H SER 2 H SER 2 26.463 -0.809 -8.231 13 HA SER 2 HA SER 2 23.881 -0.792 -6.941 14 HB2 SER 2 2HB SER 2 23.981 -2.808 -8.507 15 HB3 SER 2 1HB SER 2 25.374 -3.359 -7.593 16 HG SER 2 HG SER 2 22.755 -3.568 -7.072 17 H ASP 3 H ASP 3 24.813 0.407 -5.358 18 HA ASP 3 HA ASP 3 26.811 -0.845 -3.665 19 HB2 ASP 3 2HB ASP 3 28.100 0.451 -5.282 20 HB3 ASP 3 1HB ASP 3 27.102 1.861 -4.987 21 H ASN 4 H ASN 4 26.423 -0.289 -1.530 22 HA ASN 4 HA ASN 4 23.958 1.182 -1.046 23 HB2 ASN 4 2HB ASN 4 24.020 0.311 1.216 24 HB3 ASN 4 1HB ASN 4 24.330 -1.011 0.103 25 HD21 ASN 4 1HD2 ASN 4 25.020 -0.542 2.981 26 HD22 ASN 4 2HD2 ASN 4 26.717 -0.767 3.101 27 H ASN 5 H ASN 5 23.930 2.603 0.963 28 HA ASN 5 HA ASN 5 26.108 4.514 0.722 29 HB2 ASN 5 2HB ASN 5 23.575 4.684 2.382 30 HB3 ASN 5 1HB ASN 5 24.731 5.983 2.137 31 HD21 ASN 5 1HD2 ASN 5 24.771 7.026 0.116 32 HD22 ASN 5 2HD2 ASN 5 23.467 6.872 -1.002 33 H GLY 6 H GLY 6 27.837 4.172 1.971 34 HA2 GLY 6 2HA GLY 6 27.818 2.589 4.323 35 HA3 GLY 6 1HA GLY 6 29.115 3.675 3.815 36 H THR 7 H THR 7 28.031 6.054 3.758 37 HA THR 7 HA THR 7 26.872 6.482 6.403 38 HB THR 7 HB THR 7 28.541 8.403 4.740 39 HG1 THR 7 1HG THR 7 29.377 6.331 5.989 40 HG21 THR 7 3HG2 THR 7 27.609 8.536 7.622 41 HG22 THR 7 1HG2 THR 7 26.972 9.508 6.296 42 HG23 THR 7 2HG2 THR 7 28.641 9.721 6.822 43 HA PRO 8 HA PRO 8 23.492 7.441 3.555 44 HB2 PRO 8 2HB PRO 8 21.616 7.933 5.484 45 HB3 PRO 8 1HB PRO 8 22.053 6.312 4.930 46 HG2 PRO 8 2HG PRO 8 22.952 7.791 7.364 47 HG3 PRO 8 1HG PRO 8 22.524 6.081 7.190 48 HD2 PRO 8 2HD PRO 8 25.075 6.953 7.284 49 HD3 PRO 8 1HD PRO 8 24.595 5.526 6.340 50 H GLU 9 H GLU 9 22.621 9.264 2.763 51 HA GLU 9 HA GLU 9 23.659 11.750 3.798 52 HB2 GLU 9 2HB GLU 9 22.126 11.068 1.314 53 HB3 GLU 9 1HB GLU 9 22.537 12.714 1.767 54 HG2 GLU 9 2HG GLU 9 24.912 12.092 1.716 55 HG3 GLU 9 1HG GLU 9 24.441 10.480 1.173 56 HA PRO 10 HA PRO 10 19.723 12.708 5.590 57 HB2 PRO 10 2HB PRO 10 20.400 15.137 6.568 58 HB3 PRO 10 1HB PRO 10 20.764 13.601 7.371 59 HG2 PRO 10 2HG PRO 10 22.555 15.410 5.828 60 HG3 PRO 10 1HG PRO 10 22.947 14.372 7.205 61 HD2 PRO 10 2HD PRO 10 23.473 13.793 4.535 62 HD3 PRO 10 1HD PRO 10 23.435 12.610 5.854 63 H GLN 11 H GLN 11 18.747 12.866 3.727 64 HA GLN 11 HA GLN 11 18.871 15.290 2.106 65 HB2 GLN 11 2HB GLN 11 17.460 12.638 1.756 66 HB3 GLN 11 1HB GLN 11 17.171 14.005 0.689 67 HG2 GLN 11 2HG GLN 11 19.888 12.783 1.138 68 HG3 GLN 11 1HG GLN 11 18.804 12.320 -0.173 69 HE21 GLN 11 1HE2 GLN 11 21.489 13.582 -0.305 70 HE22 GLN 11 2HE2 GLN 11 21.244 15.035 -1.174 71 H VAL 12 H VAL 12 17.072 16.632 1.847 72 HA VAL 12 HA VAL 12 15.314 16.476 4.174 73 HB VAL 12 HB VAL 12 16.106 18.919 2.573 74 HG11 VAL 12 1HG1 VAL 12 13.977 19.179 3.712 75 HG12 VAL 12 2HG1 VAL 12 15.206 20.197 4.458 76 HG13 VAL 12 3HG1 VAL 12 14.717 18.691 5.235 77 HG21 VAL 12 3HG2 VAL 12 17.558 19.512 4.462 78 HG22 VAL 12 1HG2 VAL 12 18.060 18.007 3.694 79 HG23 VAL 12 2HG2 VAL 12 17.184 17.967 5.224 80 H GLU 13 H GLU 13 13.199 16.575 3.931 81 HA GLU 13 HA GLU 13 11.964 17.498 1.551 82 HB2 GLU 13 2HB GLU 13 12.292 15.044 1.098 83 HB3 GLU 13 1HB GLU 13 11.482 14.697 2.619 84 HG2 GLU 13 2HG GLU 13 10.062 14.375 0.604 85 HG3 GLU 13 1HG GLU 13 9.398 15.492 1.793 86 H THR 14 H THR 14 9.684 17.784 2.058 87 HA THR 14 HA THR 14 9.557 19.143 4.525 88 HB THR 14 HB THR 14 7.310 18.586 2.600 89 HG1 THR 14 1HG THR 14 8.768 19.525 1.321 90 HG21 THR 14 3HG2 THR 14 6.431 20.714 3.448 91 HG22 THR 14 1HG2 THR 14 7.843 20.891 4.493 92 HG23 THR 14 2HG2 THR 14 6.691 19.591 4.781 93 H TPO 15 H TPO 15 9.402 17.883 6.419 94 HA TPO 15 HA TPO 15 7.009 16.203 6.524 95 HB TPO 15 HB TPO 15 9.254 16.497 8.575 96 HG21 TPO 15 1HG2 TPO 15 8.093 14.687 9.785 97 HG22 TPO 15 2HG2 TPO 15 6.762 14.829 8.624 98 HG23 TPO 15 3HG2 TPO 15 7.138 16.174 9.695 99 H SER 16 H SER 16 5.281 17.302 7.060 100 HA SER 16 HA SER 16 5.396 19.073 9.353 101 HB2 SER 16 2HB SER 16 3.821 19.513 6.799 102 HB3 SER 16 1HB SER 16 3.751 20.531 8.236 103 HG SER 16 HG SER 16 6.274 20.401 7.645 104 H VAL 17 H VAL 17 3.471 18.750 10.646 105 HA VAL 17 HA VAL 17 2.054 16.348 9.871 106 HB VAL 17 HB VAL 17 1.717 18.066 12.354 107 HG11 VAL 17 1HG1 VAL 17 0.597 16.110 13.312 108 HG12 VAL 17 2HG1 VAL 17 0.776 15.253 11.784 109 HG13 VAL 17 3HG1 VAL 17 -0.240 16.692 11.871 110 HG21 VAL 17 3HG2 VAL 17 3.331 15.539 11.996 111 HG22 VAL 17 1HG2 VAL 17 3.032 16.356 13.529 112 HG23 VAL 17 2HG2 VAL 17 3.973 17.159 12.271 113 H PHE 18 H PHE 18 0.477 16.630 8.516 114 HA PHE 18 HA PHE 18 -1.354 18.818 9.006 115 HB2 PHE 18 2HB PHE 18 -1.789 19.063 6.598 116 HB3 PHE 18 1HB PHE 18 -0.109 19.389 6.971 117 HD1 PHE 18 2HD PHE 18 1.643 17.846 6.205 118 HD2 PHE 18 1HD PHE 18 -2.453 17.231 5.226 119 HE1 PHE 18 2HE PHE 18 2.304 16.293 4.420 120 HE2 PHE 18 1HE PHE 18 -1.800 15.677 3.435 121 HZ PHE 18 HZ PHE 18 0.581 15.210 3.029 122 H ARG 19 H ARG 19 -3.468 18.355 8.874 123 HA ARG 19 HA ARG 19 -4.078 15.549 9.064 124 HB2 ARG 19 2HB ARG 19 -5.051 17.375 10.534 125 HB3 ARG 19 1HB ARG 19 -5.958 17.911 9.130 126 HG2 ARG 19 2HG ARG 19 -7.266 15.976 9.109 127 HG3 ARG 19 1HG ARG 19 -6.189 15.134 10.236 128 HD2 ARG 19 2HD ARG 19 -6.729 16.811 11.952 129 HD3 ARG 19 1HD ARG 19 -7.864 17.567 10.837 130 HE ARG 19 HE ARG 19 -9.211 15.633 10.965 131 HH11 ARG 19 1HH1 ARG 19 -6.530 15.583 13.315 132 HH12 ARG 19 2HH1 ARG 19 -7.379 14.644 14.454 133 HH21 ARG 19 1HH2 ARG 19 -10.366 14.400 12.579 134 HH22 ARG 19 2HH2 ARG 19 -9.619 13.964 14.030 135 H ALA 20 H ALA 20 -4.401 14.421 7.334 136 HA ALA 20 HA ALA 20 -4.286 15.447 4.737 137 HB1 ALA 20 1HB ALA 20 -5.021 12.671 5.606 138 HB2 ALA 20 2HB ALA 20 -3.383 13.302 5.430 139 HB3 ALA 20 3HB ALA 20 -4.408 13.146 4.020 140 H ASP 21 H ASP 21 -5.788 13.922 3.174 141 HA ASP 21 HA ASP 21 -8.166 15.382 2.762 142 HB2 ASP 21 2HB ASP 21 -6.646 14.407 1.030 143 HB3 ASP 21 1HB ASP 21 -7.196 12.813 1.505 144 H LEU 22 H LEU 22 -7.621 13.161 4.976 145 HA LEU 22 HA LEU 22 -9.562 11.197 4.875 146 HB2 LEU 22 2HB LEU 22 -9.162 10.998 7.330 147 HB3 LEU 22 1HB LEU 22 -7.732 10.939 6.335 148 HG LEU 22 HG LEU 22 -7.464 13.446 6.946 149 HD11 LEU 22 1HD1 LEU 22 -9.614 13.840 7.936 150 HD12 LEU 22 2HD1 LEU 22 -8.340 14.086 9.133 151 HD13 LEU 22 3HD1 LEU 22 -9.306 12.609 9.161 152 HD21 LEU 22 3HD2 LEU 22 -7.032 11.295 9.012 153 HD22 LEU 22 1HD2 LEU 22 -6.249 12.873 8.997 154 HD23 LEU 22 2HD2 LEU 22 -5.939 11.725 7.698 155 H LEU 23 H LEU 23 -9.964 14.559 5.592 156 HA LEU 23 HA LEU 23 -12.263 14.411 7.158 157 HB2 LEU 23 2HB LEU 23 -12.577 16.714 6.747 158 HB3 LEU 23 1HB LEU 23 -10.862 16.453 6.886 159 HG LEU 23 HG LEU 23 -12.335 16.895 4.272 160 HD11 LEU 23 1HD1 LEU 23 -12.435 18.869 5.669 161 HD12 LEU 23 2HD1 LEU 23 -11.342 19.125 4.309 162 HD13 LEU 23 3HD1 LEU 23 -10.689 18.805 5.914 163 HD21 LEU 23 3HD2 LEU 23 -10.101 17.301 3.338 164 HD22 LEU 23 1HD2 LEU 23 -10.243 15.661 3.970 165 HD23 LEU 23 2HD2 LEU 23 -9.376 16.885 4.892 166 H LYS 24 H LYS 24 -11.796 14.281 3.690 167 HA LYS 24 HA LYS 24 -14.690 14.173 3.249 168 HB2 LYS 24 2HB LYS 24 -12.390 14.168 1.297 169 HB3 LYS 24 1HB LYS 24 -14.079 14.138 0.841 170 HG2 LYS 24 2HG LYS 24 -14.365 16.380 1.842 171 HG3 LYS 24 1HG LYS 24 -12.646 16.392 2.243 172 HD2 LYS 24 2HD LYS 24 -13.749 16.123 -0.564 173 HD3 LYS 24 1HD LYS 24 -13.178 17.632 0.145 174 HE2 LYS 24 2HE LYS 24 -10.944 16.721 0.380 175 HE3 LYS 24 1HE LYS 24 -11.487 15.146 -0.171 176 HZ1 LYS 24 3HZ LYS 24 -11.880 16.013 -2.335 177 HZ2 LYS 24 1HZ LYS 24 -10.325 16.410 -1.875 178 HZ3 LYS 24 2HZ LYS 24 -11.516 17.600 -1.874 179 H GLU 25 H GLU 25 -11.721 12.383 2.970 180 HA GLU 25 HA GLU 25 -12.630 10.235 1.462 181 HB2 GLU 25 2HB GLU 25 -10.292 11.007 1.659 182 HB3 GLU 25 1HB GLU 25 -10.257 10.392 3.297 183 HG2 GLU 25 2HG GLU 25 -9.157 8.898 1.717 184 HG3 GLU 25 1HG GLU 25 -10.538 8.138 2.506 185 H MET 26 H MET 26 -12.910 10.768 4.928 186 HA MET 26 HA MET 26 -12.749 8.132 5.819 187 HB2 MET 26 2HB MET 26 -12.880 10.204 7.267 188 HB3 MET 26 1HB MET 26 -14.611 10.199 6.996 189 HG2 MET 26 2HG MET 26 -13.114 7.916 8.296 190 HG3 MET 26 1HG MET 26 -13.849 9.230 9.192 191 HE1 MET 26 3HE MET 26 -16.451 9.581 9.423 192 HE2 MET 26 1HE MET 26 -17.665 8.617 8.584 193 HE3 MET 26 2HE MET 26 -16.605 9.692 7.672 194 H GLU 27 H GLU 27 -15.749 9.835 4.846 195 HA GLU 27 HA GLU 27 -17.347 7.506 5.121 196 HB2 GLU 27 2HB GLU 27 -17.961 9.878 3.349 197 HB3 GLU 27 1HB GLU 27 -19.103 8.688 3.936 198 HG2 GLU 27 2HG GLU 27 -19.528 10.447 5.330 199 HG3 GLU 27 1HG GLU 27 -18.348 9.553 6.281 200 H SER 28 H SER 28 -15.453 8.793 2.523 201 HA SER 28 HA SER 28 -16.577 7.220 0.453 202 HB2 SER 28 2HB SER 28 -13.877 8.565 0.617 203 HB3 SER 28 1HB SER 28 -14.725 8.078 -0.848 204 HG SER 28 HG SER 28 -16.478 9.517 0.126 205 H SER 29 H SER 29 -14.101 6.730 2.843 206 HA SER 29 HA SER 29 -13.109 4.318 1.601 207 HB2 SER 29 2HB SER 29 -12.537 5.485 4.324 208 HB3 SER 29 1HB SER 29 -11.628 4.215 3.503 209 HG SER 29 HG SER 29 -11.928 6.634 2.145 210 H THR 30 H THR 30 -15.123 5.276 4.380 211 HA THR 30 HA THR 30 -15.318 2.621 5.366 212 HB THR 30 HB THR 30 -16.926 5.072 6.132 213 HG1 THR 30 1HG THR 30 -15.099 5.629 6.996 214 HG21 THR 30 3HG2 THR 30 -16.510 2.438 7.579 215 HG22 THR 30 1HG2 THR 30 -18.016 2.982 6.844 216 HG23 THR 30 2HG2 THR 30 -17.362 3.838 8.239 217 H GLY 31 H GLY 31 -16.046 1.523 3.553 218 HA2 GLY 31 2HA GLY 31 -18.766 0.809 3.758 219 HA3 GLY 31 1HA GLY 31 -18.556 1.830 2.340 220 H THR 32 H THR 32 -16.000 -0.239 3.461 221 HA THR 32 HA THR 32 -15.845 -1.552 0.929 222 HB THR 32 HB THR 32 -14.216 -2.201 3.355 223 HG1 THR 32 1HG THR 32 -13.123 -0.074 2.049 224 HG21 THR 32 3HG2 THR 32 -13.759 -3.352 1.215 225 HG22 THR 32 1HG2 THR 32 -12.411 -2.317 1.685 226 HG23 THR 32 2HG2 THR 32 -13.530 -1.789 0.429 227 H ALA 33 H ALA 33 -16.913 -3.472 0.597 228 HA ALA 33 HA ALA 33 -17.857 -5.068 2.794 229 HB1 ALA 33 1HB ALA 33 -18.592 -6.615 0.980 230 HB2 ALA 33 2HB ALA 33 -17.776 -5.585 -0.196 231 HB3 ALA 33 3HB ALA 33 -19.157 -4.966 0.705 232 HA PRO 34 HA PRO 34 -13.787 -6.824 3.316 233 HB2 PRO 34 2HB PRO 34 -15.282 -9.151 4.417 234 HB3 PRO 34 1HB PRO 34 -13.957 -8.229 5.135 235 HG2 PRO 34 2HG PRO 34 -16.443 -7.894 6.001 236 HG3 PRO 34 1HG PRO 34 -15.358 -6.504 5.823 237 HD2 PRO 34 2HD PRO 34 -17.605 -7.392 4.063 238 HD3 PRO 34 1HD PRO 34 -17.102 -5.750 4.525 239 H ALA 35 H ALA 35 -12.493 -8.210 2.233 240 HA ALA 35 HA ALA 35 -13.710 -10.143 0.428 241 HB1 ALA 35 1HB ALA 35 -13.320 -8.063 -0.822 242 HB2 ALA 35 2HB ALA 35 -12.258 -9.362 -1.364 243 HB3 ALA 35 3HB ALA 35 -11.633 -8.089 -0.318 244 H SER 36 H SER 36 -12.492 -11.935 0.153 245 HA SER 36 HA SER 36 -9.806 -11.880 1.170 246 HB2 SER 36 2HB SER 36 -11.155 -12.643 3.063 247 HB3 SER 36 1HB SER 36 -11.887 -13.895 2.063 248 HG SER 36 HG SER 36 -10.302 -15.066 2.671 249 H THR 37 H THR 37 -8.709 -12.394 -0.561 250 HA THR 37 HA THR 37 -9.568 -14.361 -2.490 251 HB THR 37 HB THR 37 -6.854 -13.070 -2.338 252 HG1 THR 37 1HG THR 37 -8.696 -11.418 -3.542 253 HG21 THR 37 3HG2 THR 37 -7.200 -12.854 -4.772 254 HG22 THR 37 1HG2 THR 37 -8.841 -13.479 -4.601 255 HG23 THR 37 2HG2 THR 37 -7.462 -14.521 -4.258 256 H GLY 38 H GLY 38 -9.257 -15.327 0.203 257 HA2 GLY 38 2HA GLY 38 -8.191 -17.068 1.335 258 HA3 GLY 38 1HA GLY 38 -6.911 -17.050 0.111 259 H ALA 39 H ALA 39 -8.152 -14.250 1.621 260 HA ALA 39 HA ALA 39 -5.525 -13.260 1.933 261 HB1 ALA 39 1HB ALA 39 -8.103 -11.928 2.694 262 HB2 ALA 39 2HB ALA 39 -7.362 -11.886 1.095 263 HB3 ALA 39 3HB ALA 39 -6.531 -11.155 2.467 264 H GLU 40 H GLU 40 -8.115 -14.046 4.243 265 HA GLU 40 HA GLU 40 -6.389 -13.184 6.389 266 HB2 GLU 40 2HB GLU 40 -8.220 -13.793 7.908 267 HB3 GLU 40 1HB GLU 40 -8.755 -12.728 6.618 268 HG2 GLU 40 2HG GLU 40 -9.731 -14.639 5.460 269 HG3 GLU 40 1HG GLU 40 -9.192 -15.698 6.768 270 H ASN 41 H ASN 41 -6.481 -15.809 4.592 271 HA ASN 41 HA ASN 41 -5.762 -17.774 6.605 272 HB2 ASN 41 2HB ASN 41 -7.122 -18.528 4.728 273 HB3 ASN 41 1HB ASN 41 -5.965 -17.884 3.575 274 HD21 ASN 41 1HD2 ASN 41 -4.105 -19.051 3.144 275 HD22 ASN 41 2HD2 ASN 41 -3.869 -20.673 3.660 276 H LEU 42 H LEU 42 -4.415 -15.501 4.430 277 HA LEU 42 HA LEU 42 -2.405 -14.928 3.684 278 HB2 LEU 42 2HB LEU 42 -1.695 -15.991 6.380 279 HB3 LEU 42 1HB LEU 42 -0.431 -15.349 5.337 280 HG LEU 42 HG LEU 42 -0.952 -13.663 6.892 281 HD11 LEU 42 1HD1 LEU 42 -1.859 -11.823 5.608 282 HD12 LEU 42 2HD1 LEU 42 -2.464 -12.953 4.404 283 HD13 LEU 42 3HD1 LEU 42 -0.725 -12.794 4.667 284 HD21 LEU 42 3HD2 LEU 42 -3.029 -14.535 7.794 285 HD22 LEU 42 1HD2 LEU 42 -3.883 -14.091 6.315 286 HD23 LEU 42 2HD2 LEU 42 -3.222 -12.836 7.362 287 HA PRO 43 HA PRO 43 -1.397 -18.953 1.987 288 HB2 PRO 43 2HB PRO 43 -1.625 -18.244 -0.616 289 HB3 PRO 43 1HB PRO 43 -2.997 -18.728 0.384 290 HG2 PRO 43 2HG PRO 43 -2.214 -16.053 -0.582 291 HG3 PRO 43 1HG PRO 43 -3.813 -16.637 -0.088 292 HD2 PRO 43 2HD PRO 43 -1.995 -15.032 1.392 293 HD3 PRO 43 1HD PRO 43 -3.522 -15.730 1.960 294 H ALA 44 H ALA 44 -0.326 -16.392 -0.221 295 HA ALA 44 HA ALA 44 2.148 -17.635 -0.748 296 HB1 ALA 44 1HB ALA 44 2.636 -15.690 -2.094 297 HB2 ALA 44 2HB ALA 44 1.322 -14.800 -1.325 298 HB3 ALA 44 3HB ALA 44 0.964 -16.196 -2.342 299 H GLY 45 H GLY 45 1.215 -15.399 1.701 300 HA2 GLY 45 2HA GLY 45 2.524 -14.867 3.596 301 HA3 GLY 45 1HA GLY 45 3.958 -15.376 2.711 302 H SER 46 H SER 46 2.614 -13.706 0.492 303 HA SER 46 HA SER 46 3.724 -11.121 1.300 304 HB2 SER 46 2HB SER 46 3.444 -12.314 -1.475 305 HB3 SER 46 1HB SER 46 4.228 -10.790 -1.066 306 HG SER 46 HG SER 46 5.707 -12.462 -1.364 307 H ALA 47 H ALA 47 2.560 -9.338 -0.073 308 HA ALA 47 HA ALA 47 -0.196 -9.981 -0.632 309 HB1 ALA 47 1HB ALA 47 0.610 -8.021 1.501 310 HB2 ALA 47 2HB ALA 47 -0.189 -9.569 1.767 311 HB3 ALA 47 3HB ALA 47 -1.028 -8.276 0.903 312 H LEU 48 H LEU 48 -1.282 -8.160 -1.675 313 HA LEU 48 HA LEU 48 0.594 -6.189 -2.614 314 HB2 LEU 48 2HB LEU 48 -0.325 -6.212 -4.877 315 HB3 LEU 48 1HB LEU 48 0.360 -7.751 -4.466 316 HG LEU 48 HG LEU 48 -1.498 -8.178 -5.808 317 HD11 LEU 48 1HD1 LEU 48 -2.412 -8.748 -3.038 318 HD12 LEU 48 2HD1 LEU 48 -1.395 -9.746 -4.079 319 HD13 LEU 48 3HD1 LEU 48 -3.077 -9.448 -4.514 320 HD21 LEU 48 3HD2 LEU 48 -3.791 -7.357 -5.415 321 HD22 LEU 48 1HD2 LEU 48 -2.646 -6.059 -5.755 322 HD23 LEU 48 2HD2 LEU 48 -3.180 -6.350 -4.102 323 H LEU 49 H LEU 49 -0.087 -4.207 -2.777 324 HA LEU 49 HA LEU 49 -2.805 -3.765 -1.853 325 HB2 LEU 49 2HB LEU 49 -1.990 -1.558 -0.936 326 HB3 LEU 49 1HB LEU 49 -1.416 -2.979 -0.110 327 HG LEU 49 HG LEU 49 0.760 -2.673 -1.434 328 HD11 LEU 49 1HD1 LEU 49 -0.399 0.064 -1.879 329 HD12 LEU 49 2HD1 LEU 49 0.001 -1.120 -3.119 330 HD13 LEU 49 3HD1 LEU 49 1.282 -0.393 -2.143 331 HD21 LEU 49 3HD2 LEU 49 -0.050 -0.632 0.628 332 HD22 LEU 49 1HD2 LEU 49 1.606 -1.026 0.173 333 HD23 LEU 49 2HD2 LEU 49 0.587 -2.243 0.937 334 H VAL 50 H VAL 50 -4.071 -2.411 -2.945 335 HA VAL 50 HA VAL 50 -2.919 -1.461 -5.467 336 HB VAL 50 HB VAL 50 -4.557 -3.264 -5.832 337 HG11 VAL 50 1HG1 VAL 50 -6.944 -2.957 -5.378 338 HG12 VAL 50 2HG1 VAL 50 -6.569 -1.476 -4.500 339 HG13 VAL 50 3HG1 VAL 50 -5.965 -3.026 -3.913 340 HG21 VAL 50 3HG2 VAL 50 -4.351 -1.582 -7.572 341 HG22 VAL 50 1HG2 VAL 50 -5.566 -0.580 -6.781 342 HG23 VAL 50 2HG2 VAL 50 -6.019 -2.141 -7.470 343 H VAL 51 H VAL 51 -3.167 0.619 -6.047 344 HA VAL 51 HA VAL 51 -4.097 2.406 -3.977 345 HB VAL 51 HB VAL 51 -3.242 3.127 -6.770 346 HG11 VAL 51 1HG1 VAL 51 -2.593 5.263 -5.733 347 HG12 VAL 51 2HG1 VAL 51 -3.128 4.659 -4.167 348 HG13 VAL 51 3HG1 VAL 51 -4.300 4.906 -5.458 349 HG21 VAL 51 3HG2 VAL 51 -0.950 3.428 -5.937 350 HG22 VAL 51 1HG2 VAL 51 -1.470 1.745 -5.839 351 HG23 VAL 51 2HG2 VAL 51 -1.430 2.745 -4.387 352 H LYS 52 H LYS 52 -6.093 2.960 -3.819 353 HA LYS 52 HA LYS 52 -7.961 2.353 -5.956 354 HB2 LYS 52 2HB LYS 52 -8.323 1.816 -3.493 355 HB3 LYS 52 1HB LYS 52 -8.557 3.537 -3.247 356 HG2 LYS 52 2HG LYS 52 -10.703 2.509 -3.407 357 HG3 LYS 52 1HG LYS 52 -10.441 3.441 -4.882 358 HD2 LYS 52 2HD LYS 52 -9.811 1.421 -6.079 359 HD3 LYS 52 1HD LYS 52 -9.978 0.470 -4.607 360 HE2 LYS 52 2HE LYS 52 -12.371 1.045 -4.537 361 HE3 LYS 52 1HE LYS 52 -12.183 1.948 -6.040 362 HZ1 LYS 52 3HZ LYS 52 -11.721 -0.971 -5.702 363 HZ2 LYS 52 1HZ LYS 52 -11.492 -0.100 -7.126 364 HZ3 LYS 52 2HZ LYS 52 -13.033 -0.268 -6.472 365 H ARG 53 H ARG 53 -6.567 5.047 -4.258 366 HA ARG 53 HA ARG 53 -7.618 6.895 -6.209 367 HB2 ARG 53 2HB ARG 53 -9.381 6.858 -4.532 368 HB3 ARG 53 1HB ARG 53 -8.212 7.093 -3.250 369 HG2 ARG 53 2HG ARG 53 -7.816 9.344 -3.918 370 HG3 ARG 53 1HG ARG 53 -8.732 9.123 -5.411 371 HD2 ARG 53 2HD ARG 53 -9.871 8.916 -2.633 372 HD3 ARG 53 1HD ARG 53 -10.014 10.322 -3.688 373 HE ARG 53 HE ARG 53 -11.011 8.488 -5.263 374 HH11 ARG 53 1HH1 ARG 53 -11.609 8.818 -1.774 375 HH12 ARG 53 2HH1 ARG 53 -13.235 8.364 -1.868 376 HH21 ARG 53 1HH2 ARG 53 -13.240 7.787 -5.374 377 HH22 ARG 53 2HH2 ARG 53 -14.207 7.751 -3.975 378 H GLY 54 H GLY 54 -6.272 8.642 -6.480 379 HA2 GLY 54 2HA GLY 54 -4.634 10.093 -5.172 380 HA3 GLY 54 1HA GLY 54 -3.773 8.572 -4.948 381 HA PRO 55 HA PRO 55 -2.503 10.784 -9.001 382 HB2 PRO 55 2HB PRO 55 0.115 10.289 -7.645 383 HB3 PRO 55 1HB PRO 55 -0.368 11.634 -8.688 384 HG2 PRO 55 2HG PRO 55 -0.271 11.983 -6.072 385 HG3 PRO 55 1HG PRO 55 -1.619 12.659 -7.008 386 HD2 PRO 55 2HD PRO 55 -1.562 10.248 -5.240 387 HD3 PRO 55 1HD PRO 55 -2.855 11.438 -5.481 388 H ASN 56 H ASN 56 -0.814 8.023 -7.283 389 HA ASN 56 HA ASN 56 -0.524 6.812 -9.901 390 HB2 ASN 56 2HB ASN 56 0.804 5.047 -8.730 391 HB3 ASN 56 1HB ASN 56 1.454 6.669 -8.565 392 HD21 ASN 56 1HD2 ASN 56 2.604 6.032 -6.754 393 HD22 ASN 56 2HD2 ASN 56 1.830 5.769 -5.237 394 H ALA 57 H ALA 57 -3.201 7.005 -8.567 395 HA ALA 57 HA ALA 57 -4.149 4.570 -7.601 396 HB1 ALA 57 1HB ALA 57 -5.675 6.522 -9.316 397 HB2 ALA 57 2HB ALA 57 -5.452 6.653 -7.571 398 HB3 ALA 57 3HB ALA 57 -6.366 5.302 -8.244 399 H GLY 58 H GLY 58 -4.946 2.739 -8.463 400 HA2 GLY 58 2HA GLY 58 -5.795 1.436 -10.257 401 HA3 GLY 58 1HA GLY 58 -4.939 2.481 -11.385 402 H ALA 59 H ALA 59 -2.649 2.300 -9.335 403 HA ALA 59 HA ALA 59 -1.445 -0.016 -10.609 404 HB1 ALA 59 1HB ALA 59 -0.178 2.070 -10.534 405 HB2 ALA 59 2HB ALA 59 0.652 0.795 -9.638 406 HB3 ALA 59 3HB ALA 59 -0.235 2.047 -8.772 407 H ARG 60 H ARG 60 -0.770 -1.830 -9.549 408 HA ARG 60 HA ARG 60 -1.417 -1.957 -6.699 409 HB2 ARG 60 2HB ARG 60 -1.762 -4.369 -6.921 410 HB3 ARG 60 1HB ARG 60 -2.799 -3.531 -8.058 411 HG2 ARG 60 2HG ARG 60 -1.223 -4.076 -9.868 412 HG3 ARG 60 1HG ARG 60 -0.211 -4.931 -8.705 413 HD2 ARG 60 2HD ARG 60 -2.126 -6.450 -8.239 414 HD3 ARG 60 1HD ARG 60 -3.045 -5.606 -9.484 415 HE ARG 60 HE ARG 60 -0.564 -6.532 -10.469 416 HH11 ARG 60 1HH1 ARG 60 -3.876 -7.678 -9.738 417 HH12 ARG 60 2HH1 ARG 60 -3.766 -8.995 -10.811 418 HH21 ARG 60 1HH2 ARG 60 -0.500 -8.371 -11.938 419 HH22 ARG 60 2HH2 ARG 60 -1.864 -9.396 -12.043 420 H PHE 61 H PHE 61 0.137 -2.543 -5.321 421 HA PHE 61 HA PHE 61 2.775 -3.070 -6.480 422 HB2 PHE 61 2HB PHE 61 2.116 -1.487 -3.988 423 HB3 PHE 61 1HB PHE 61 3.738 -1.887 -4.528 424 HD1 PHE 61 2HD PHE 61 4.438 -1.015 -6.854 425 HD2 PHE 61 1HD PHE 61 1.088 0.480 -4.696 426 HE1 PHE 61 2HE PHE 61 4.500 1.042 -8.195 427 HE2 PHE 61 1HE PHE 61 1.143 2.542 -6.037 428 HZ PHE 61 HZ PHE 61 2.851 2.828 -7.786 429 H LEU 62 H LEU 62 3.871 -4.721 -5.687 430 HA LEU 62 HA LEU 62 2.480 -6.478 -3.804 431 HB2 LEU 62 2HB LEU 62 2.958 -7.365 -6.033 432 HB3 LEU 62 1HB LEU 62 4.653 -7.000 -5.829 433 HG LEU 62 HG LEU 62 4.756 -8.684 -4.000 434 HD11 LEU 62 1HD1 LEU 62 1.953 -9.354 -4.883 435 HD12 LEU 62 2HD1 LEU 62 2.421 -8.670 -3.322 436 HD13 LEU 62 3HD1 LEU 62 2.941 -10.295 -3.762 437 HD21 LEU 62 3HD2 LEU 62 4.650 -10.630 -5.485 438 HD22 LEU 62 1HD2 LEU 62 5.434 -9.255 -6.259 439 HD23 LEU 62 2HD2 LEU 62 3.772 -9.668 -6.674 440 H LEU 63 H LEU 63 3.286 -6.677 -1.808 441 HA LEU 63 HA LEU 63 5.884 -5.571 -1.161 442 HB2 LEU 63 2HB LEU 63 3.852 -6.978 0.605 443 HB3 LEU 63 1HB LEU 63 5.313 -6.222 1.182 444 HG LEU 63 HG LEU 63 3.597 -4.761 1.765 445 HD11 LEU 63 1HD1 LEU 63 3.954 -2.727 0.502 446 HD12 LEU 63 2HD1 LEU 63 4.763 -3.659 -0.757 447 HD13 LEU 63 3HD1 LEU 63 5.454 -3.580 0.864 448 HD21 LEU 63 3HD2 LEU 63 2.479 -4.950 -1.032 449 HD22 LEU 63 1HD2 LEU 63 1.861 -3.912 0.251 450 HD23 LEU 63 2HD2 LEU 63 1.780 -5.666 0.420 451 H ASP 64 H ASP 64 7.543 -6.800 -1.701 452 HA ASP 64 HA ASP 64 7.330 -9.742 -1.369 453 HB2 ASP 64 2HB ASP 64 7.248 -8.845 -3.751 454 HB3 ASP 64 1HB ASP 64 8.881 -8.257 -3.515 455 H GLN 65 H GLN 65 8.470 -7.445 0.279 456 HA GLN 65 HA GLN 65 11.119 -8.606 0.718 457 HB2 GLN 65 2HB GLN 65 12.111 -6.412 1.068 458 HB3 GLN 65 1HB GLN 65 11.446 -6.498 -0.543 459 HG2 GLN 65 2HG GLN 65 9.414 -5.318 0.353 460 HG3 GLN 65 1HG GLN 65 10.325 -5.075 1.833 461 HE21 GLN 65 1HE2 GLN 65 12.862 -4.696 0.455 462 HE22 GLN 65 2HE2 GLN 65 12.806 -3.153 -0.290 463 HA PRO 66 HA PRO 66 9.964 -8.672 5.013 464 HB2 PRO 66 2HB PRO 66 12.621 -7.538 5.689 465 HB3 PRO 66 1HB PRO 66 11.871 -9.043 6.232 466 HG2 PRO 66 2HG PRO 66 13.837 -9.103 4.452 467 HG3 PRO 66 1HG PRO 66 12.441 -10.182 4.283 468 HD2 PRO 66 2HD PRO 66 13.043 -7.632 2.830 469 HD3 PRO 66 1HD PRO 66 12.409 -9.168 2.204 470 H THR 67 H THR 67 11.329 -5.599 3.798 471 HA THR 67 HA THR 67 9.484 -4.234 5.586 472 HB THR 67 HB THR 67 12.438 -3.530 5.568 473 HG1 THR 67 1HG THR 67 10.947 -5.234 7.030 474 HG21 THR 67 3HG2 THR 67 10.136 -2.373 7.173 475 HG22 THR 67 1HG2 THR 67 10.964 -1.565 5.841 476 HG23 THR 67 2HG2 THR 67 11.831 -1.922 7.336 477 H THR 68 H THR 68 8.434 -2.796 4.457 478 HA THR 68 HA THR 68 9.661 -1.732 2.041 479 HB THR 68 HB THR 68 6.729 -2.018 2.754 480 HG1 THR 68 1HG THR 68 8.367 -3.460 0.932 481 HG21 THR 68 3HG2 THR 68 6.357 -1.493 0.363 482 HG22 THR 68 1HG2 THR 68 8.092 -1.235 0.179 483 HG23 THR 68 2HG2 THR 68 7.147 -0.159 1.210 484 H THR 69 H THR 69 9.805 0.478 1.830 485 HA THR 69 HA THR 69 8.918 2.077 4.124 486 HB THR 69 HB THR 69 11.055 2.727 2.061 487 HG1 THR 69 1HG THR 69 11.704 0.981 3.297 488 HG21 THR 69 3HG2 THR 69 10.092 4.706 3.193 489 HG22 THR 69 1HG2 THR 69 11.760 4.435 3.696 490 HG23 THR 69 2HG2 THR 69 10.430 3.971 4.758 491 H ALA 70 H ALA 70 7.628 3.886 3.741 492 HA ALA 70 HA ALA 70 6.763 4.294 0.971 493 HB1 ALA 70 1HB ALA 70 5.176 4.623 3.516 494 HB2 ALA 70 2HB ALA 70 5.008 3.309 2.349 495 HB3 ALA 70 3HB ALA 70 4.591 4.959 1.885 496 H GLY 71 H GLY 71 6.859 6.282 0.212 497 HA2 GLY 71 2HA GLY 71 6.510 8.704 0.974 498 HA3 GLY 71 1HA GLY 71 7.952 8.374 1.936 499 H ARG 72 H ARG 72 8.825 10.163 0.596 500 HA ARG 72 HA ARG 72 9.616 9.264 -2.076 501 HB2 ARG 72 2HB ARG 72 9.837 11.903 -0.640 502 HB3 ARG 72 1HB ARG 72 10.595 11.606 -2.188 503 HG2 ARG 72 2HG ARG 72 8.501 11.388 -3.259 504 HG3 ARG 72 1HG ARG 72 7.656 11.348 -1.701 505 HD2 ARG 72 2HD ARG 72 8.210 13.616 -1.252 506 HD3 ARG 72 1HD ARG 72 9.345 13.687 -2.590 507 HE ARG 72 HE ARG 72 7.146 13.244 -3.928 508 HH11 ARG 72 1HH1 ARG 72 7.464 15.327 -1.084 509 HH12 ARG 72 2HH1 ARG 72 6.492 16.583 -1.690 510 HH21 ARG 72 1HH2 ARG 72 5.664 14.865 -4.714 511 HH22 ARG 72 2HH2 ARG 72 5.361 16.270 -3.832 512 H HIS 73 H HIS 73 11.567 8.259 -2.105 513 HA HIS 73 HA HIS 73 13.961 9.174 -1.018 514 HB2 HIS 73 2HB HIS 73 12.423 8.192 1.072 515 HB3 HIS 73 1HB HIS 73 13.262 6.733 0.561 516 HD1 HIS 73 1HD HIS 73 15.062 6.479 2.500 517 HD2 HIS 73 2HD HIS 73 14.816 10.313 0.859 518 HE1 HIS 73 1HE HIS 73 16.877 7.784 3.538 519 HA PRO 74 HA PRO 74 15.052 5.984 -3.951 520 HB2 PRO 74 2HB PRO 74 17.461 5.381 -2.340 521 HB3 PRO 74 1HB PRO 74 17.344 5.893 -4.027 522 HG2 PRO 74 2HG PRO 74 18.202 7.579 -2.153 523 HG3 PRO 74 1HG PRO 74 17.150 8.136 -3.464 524 HD2 PRO 74 2HD PRO 74 16.452 7.517 -0.619 525 HD3 PRO 74 1HD PRO 74 15.908 8.854 -1.655 526 H GLU 75 H GLU 75 14.731 5.256 -0.629 527 HA GLU 75 HA GLU 75 15.028 2.393 -1.092 528 HB2 GLU 75 2HB GLU 75 14.959 2.093 1.282 529 HB3 GLU 75 1HB GLU 75 16.124 3.342 0.897 530 HG2 GLU 75 2HG GLU 75 14.416 5.034 1.503 531 HG3 GLU 75 1HG GLU 75 13.358 3.716 2.010 532 H SER 76 H SER 76 12.491 4.511 -1.439 533 HA SER 76 HA SER 76 10.631 2.787 -0.088 534 HB2 SER 76 2HB SER 76 8.892 4.427 -0.906 535 HB3 SER 76 1HB SER 76 10.130 5.114 0.139 536 HG SER 76 HG SER 76 9.596 6.352 -1.721 537 H ASP 77 H ASP 77 10.046 0.984 -0.953 538 HA ASP 77 HA ASP 77 10.217 0.419 -3.739 539 HB2 ASP 77 2HB ASP 77 10.290 -1.311 -1.867 540 HB3 ASP 77 1HB ASP 77 8.569 -1.047 -1.706 541 H ILE 78 H ILE 78 7.651 1.360 -1.575 542 HA ILE 78 HA ILE 78 5.961 1.656 -3.907 543 HB ILE 78 HB ILE 78 4.067 2.071 -2.297 544 HG12 ILE 78 2HG1 ILE 78 6.039 1.110 -0.194 545 HG13 ILE 78 1HG1 ILE 78 5.407 2.748 -0.322 546 HG21 ILE 78 1HG2 ILE 78 3.780 -0.293 -1.666 547 HG22 ILE 78 2HG2 ILE 78 5.477 -0.574 -2.057 548 HG23 ILE 78 3HG2 ILE 78 4.350 -0.088 -3.323 549 HD11 ILE 78 3HD1 ILE 78 4.282 1.474 1.434 550 HD12 ILE 78 1HD1 ILE 78 3.777 0.277 0.241 551 HD13 ILE 78 2HD1 ILE 78 3.162 1.925 0.146 552 H PHE 79 H PHE 79 6.514 3.413 -4.848 553 HA PHE 79 HA PHE 79 7.159 5.754 -3.288 554 HB2 PHE 79 2HB PHE 79 8.578 5.081 -5.241 555 HB3 PHE 79 1HB PHE 79 7.200 5.389 -6.293 556 HD1 PHE 79 1HD PHE 79 9.519 6.983 -3.897 557 HD2 PHE 79 2HD PHE 79 6.755 7.560 -7.077 558 HE1 PHE 79 1HE PHE 79 10.208 9.330 -4.057 559 HE2 PHE 79 2HE PHE 79 7.438 9.915 -7.242 560 HZ PHE 79 HZ PHE 79 9.170 10.802 -5.723 561 H LEU 80 H LEU 80 5.743 7.220 -2.868 562 HA LEU 80 HA LEU 80 3.202 7.442 -4.427 563 HB2 LEU 80 2HB LEU 80 3.618 7.941 -1.463 564 HB3 LEU 80 1HB LEU 80 2.106 7.922 -2.337 565 HG LEU 80 HG LEU 80 3.811 5.509 -1.686 566 HD11 LEU 80 1HD1 LEU 80 2.739 6.414 0.268 567 HD12 LEU 80 2HD1 LEU 80 1.977 4.891 -0.198 568 HD13 LEU 80 3HD1 LEU 80 1.183 6.425 -0.560 569 HD21 LEU 80 3HD2 LEU 80 1.147 5.713 -3.098 570 HD22 LEU 80 1HD2 LEU 80 1.848 4.210 -2.474 571 HD23 LEU 80 2HD2 LEU 80 2.683 5.092 -3.736 572 H ASP 81 H ASP 81 3.208 9.452 -5.342 573 HA ASP 81 HA ASP 81 4.560 11.567 -3.831 574 HB2 ASP 81 2HB ASP 81 5.877 10.690 -5.845 575 HB3 ASP 81 1HB ASP 81 4.598 11.367 -6.843 576 H ASP 82 H ASP 82 3.070 13.008 -3.299 577 HA ASP 82 HA ASP 82 1.071 13.761 -5.264 578 HB2 ASP 82 2HB ASP 82 -0.687 14.052 -3.552 579 HB3 ASP 82 1HB ASP 82 -0.126 12.402 -3.552 580 H VAL 83 H VAL 83 0.014 15.753 -3.407 581 HA VAL 83 HA VAL 83 1.519 17.960 -4.192 582 HB VAL 83 HB VAL 83 -0.332 17.780 -1.794 583 HG11 VAL 83 1HG1 VAL 83 0.545 20.183 -3.400 584 HG12 VAL 83 2HG1 VAL 83 1.013 19.808 -1.742 585 HG13 VAL 83 3HG1 VAL 83 -0.666 20.190 -2.119 586 HG21 VAL 83 3HG2 VAL 83 -1.446 17.029 -3.835 587 HG22 VAL 83 1HG2 VAL 83 -0.948 18.508 -4.655 588 HG23 VAL 83 2HG2 VAL 83 -2.083 18.587 -3.309 589 H THR 84 H THR 84 1.679 16.081 -1.139 590 HA THR 84 HA THR 84 4.310 17.142 -0.698 591 HB THR 84 HB THR 84 2.190 17.766 1.404 592 HG1 THR 84 1HG THR 84 3.105 19.109 -0.748 593 HG21 THR 84 3HG2 THR 84 5.149 18.437 1.317 594 HG22 THR 84 1HG2 THR 84 4.406 17.237 2.374 595 HG23 THR 84 2HG2 THR 84 4.017 18.945 2.569 596 H VAL 85 H VAL 85 4.938 14.999 -0.850 597 HA VAL 85 HA VAL 85 4.111 13.276 1.360 598 HB VAL 85 HB VAL 85 5.601 12.547 -1.198 599 HG11 VAL 85 1HG1 VAL 85 5.301 10.215 -0.501 600 HG12 VAL 85 2HG1 VAL 85 4.569 10.757 1.008 601 HG13 VAL 85 3HG1 VAL 85 6.267 11.104 0.680 602 HG21 VAL 85 3HG2 VAL 85 3.245 13.093 -1.526 603 HG22 VAL 85 1HG2 VAL 85 2.803 11.906 -0.305 604 HG23 VAL 85 2HG2 VAL 85 3.563 11.377 -1.809 605 H SER 86 H SER 86 5.505 12.681 2.866 606 HA SER 86 HA SER 86 7.894 14.136 3.285 607 HB2 SER 86 2HB SER 86 6.491 13.478 5.090 608 HB3 SER 86 1HB SER 86 6.643 11.766 4.687 609 HG SER 86 HG SER 86 8.162 11.865 6.121 610 H ARG 87 H ARG 87 9.967 13.151 3.666 611 HA ARG 87 HA ARG 87 10.901 11.416 1.616 612 HB2 ARG 87 2HB ARG 87 13.062 11.399 3.016 613 HB3 ARG 87 1HB ARG 87 12.522 12.970 2.453 614 HG2 ARG 87 2HG ARG 87 11.460 13.313 4.693 615 HG3 ARG 87 1HG ARG 87 12.206 11.810 5.210 616 HD2 ARG 87 2HD ARG 87 14.415 12.765 4.875 617 HD3 ARG 87 1HD ARG 87 13.699 14.239 4.215 618 HE ARG 87 HE ARG 87 12.557 13.916 6.687 619 HH11 ARG 87 1HH1 ARG 87 15.869 14.494 5.524 620 HH12 ARG 87 2HH1 ARG 87 16.407 15.157 6.992 621 HH21 ARG 87 1HH2 ARG 87 13.330 14.856 8.698 622 HH22 ARG 87 2HH2 ARG 87 14.940 15.374 8.826 623 H ARG 88 H ARG 88 10.068 10.968 4.951 624 HA ARG 88 HA ARG 88 9.743 8.148 4.420 625 HB2 ARG 88 2HB ARG 88 11.205 9.341 6.782 626 HB3 ARG 88 1HB ARG 88 10.463 7.750 6.862 627 HG2 ARG 88 2HG ARG 88 11.884 7.009 5.002 628 HG3 ARG 88 1HG ARG 88 12.639 8.603 4.958 629 HD2 ARG 88 2HD ARG 88 13.519 8.302 7.172 630 HD3 ARG 88 1HD ARG 88 12.642 6.788 7.368 631 HE ARG 88 HE ARG 88 14.183 6.387 5.158 632 HH11 ARG 88 1HH1 ARG 88 14.917 7.333 8.480 633 HH12 ARG 88 2HH1 ARG 88 16.422 6.543 8.517 634 HH21 ARG 88 1HH2 ARG 88 16.196 5.311 5.200 635 HH22 ARG 88 2HH2 ARG 88 17.196 5.364 6.604 636 H HIS 89 H HIS 89 7.680 7.861 4.580 637 HA HIS 89 HA HIS 89 6.182 9.508 6.460 638 HB2 HIS 89 2HB HIS 89 5.266 9.601 4.255 639 HB3 HIS 89 1HB HIS 89 5.379 7.860 4.058 640 HD2 HIS 89 2HD HIS 89 3.303 10.272 6.439 641 HE1 HIS 89 1HE HIS 89 1.011 6.903 5.364 642 HE2 HIS 89 2HE HIS 89 1.220 8.821 6.926 643 H ALA 90 H ALA 90 6.508 6.114 5.420 644 HA ALA 90 HA ALA 90 6.140 5.267 8.140 645 HB1 ALA 90 1HB ALA 90 4.166 3.901 7.694 646 HB2 ALA 90 2HB ALA 90 4.076 4.550 6.054 647 HB3 ALA 90 3HB ALA 90 3.823 5.613 7.439 648 H GLU 91 H GLU 91 6.434 3.057 8.362 649 HA GLU 91 HA GLU 91 7.483 1.720 5.994 650 HB2 GLU 91 2HB GLU 91 9.118 0.472 7.416 651 HB3 GLU 91 1HB GLU 91 9.438 2.191 7.305 652 HG2 GLU 91 2HG GLU 91 8.526 2.522 9.534 653 HG3 GLU 91 1HG GLU 91 8.112 0.810 9.628 654 H PHE 92 H PHE 92 6.845 -0.216 5.576 655 HA PHE 92 HA PHE 92 4.804 -1.442 7.293 656 HB2 PHE 92 2HB PHE 92 5.371 -1.763 4.318 657 HB3 PHE 92 1HB PHE 92 4.133 -2.634 5.203 658 HD1 PHE 92 2HD PHE 92 5.168 0.809 4.204 659 HD2 PHE 92 1HD PHE 92 1.995 -1.762 5.385 660 HE1 PHE 92 2HE PHE 92 3.540 2.586 3.696 661 HE2 PHE 92 1HE PHE 92 0.364 0.009 4.872 662 HZ PHE 92 HZ PHE 92 1.137 2.187 4.028 663 H ARG 93 H ARG 93 5.590 -3.128 8.373 664 HA ARG 93 HA ARG 93 7.950 -4.413 7.217 665 HB2 ARG 93 2HB ARG 93 8.388 -3.144 9.287 666 HB3 ARG 93 1HB ARG 93 7.262 -4.190 10.139 667 HG2 ARG 93 2HG ARG 93 8.662 -6.094 9.769 668 HG3 ARG 93 1HG ARG 93 9.726 -5.140 8.728 669 HD2 ARG 93 2HD ARG 93 9.232 -4.688 11.658 670 HD3 ARG 93 1HD ARG 93 10.684 -5.408 10.959 671 HE ARG 93 HE ARG 93 9.809 -2.619 10.606 672 HH11 ARG 93 1HH1 ARG 93 12.417 -5.026 10.715 673 HH12 ARG 93 2HH1 ARG 93 13.655 -3.895 10.484 674 HH21 ARG 93 1HH2 ARG 93 11.498 -1.070 10.246 675 HH22 ARG 93 2HH2 ARG 93 13.128 -1.580 10.185 676 H ILE 94 H ILE 94 7.994 -6.513 6.963 677 HA ILE 94 HA ILE 94 5.534 -7.955 7.548 678 HB ILE 94 HB ILE 94 7.731 -8.576 5.529 679 HG12 ILE 94 2HG1 ILE 94 5.888 -8.218 3.809 680 HG13 ILE 94 1HG1 ILE 94 4.918 -7.527 5.092 681 HG21 ILE 94 1HG2 ILE 94 5.123 -10.001 6.034 682 HG22 ILE 94 2HG2 ILE 94 6.739 -10.611 6.368 683 HG23 ILE 94 3HG2 ILE 94 6.225 -10.339 4.701 684 HD11 ILE 94 3HD1 ILE 94 7.520 -6.430 4.028 685 HD12 ILE 94 1HD1 ILE 94 6.574 -5.722 5.338 686 HD13 ILE 94 2HD1 ILE 94 5.899 -5.803 3.712 687 H ASN 95 H ASN 95 5.688 -9.342 9.167 688 HA ASN 95 HA ASN 95 8.300 -10.609 9.717 689 HB2 ASN 95 2HB ASN 95 6.116 -9.997 11.731 690 HB3 ASN 95 1HB ASN 95 7.638 -10.794 12.072 691 HD21 ASN 95 1HD2 ASN 95 6.007 -7.851 11.585 692 HD22 ASN 95 2HD2 ASN 95 7.247 -6.773 12.069 693 H GLU 96 H GLU 96 8.118 -12.659 9.109 694 HA GLU 96 HA GLU 96 7.311 -14.696 8.637 695 HB2 GLU 96 2HB GLU 96 6.033 -14.121 11.296 696 HB3 GLU 96 1HB GLU 96 5.929 -15.697 10.532 697 HG2 GLU 96 2HG GLU 96 7.692 -15.666 12.205 698 HG3 GLU 96 1HG GLU 96 8.364 -15.902 10.599 699 H GLY 97 H GLY 97 5.881 -12.743 7.265 700 HA2 GLY 97 2HA GLY 97 4.097 -12.874 5.761 701 HA3 GLY 97 1HA GLY 97 3.440 -14.199 6.703 702 H GLU 98 H GLU 98 3.983 -11.874 8.976 703 HA GLU 98 HA GLU 98 1.285 -10.806 8.631 704 HB2 GLU 98 2HB GLU 98 3.023 -10.825 11.109 705 HB3 GLU 98 1HB GLU 98 1.361 -10.255 11.021 706 HG2 GLU 98 2HG GLU 98 0.749 -12.585 10.273 707 HG3 GLU 98 1HG GLU 98 2.374 -13.057 10.741 708 H PHE 99 H PHE 99 0.923 -8.619 8.632 709 HA PHE 99 HA PHE 99 3.316 -7.063 7.945 710 HB2 PHE 99 2HB PHE 99 0.437 -6.732 7.068 711 HB3 PHE 99 1HB PHE 99 1.763 -5.681 6.599 712 HD1 PHE 99 2HD PHE 99 0.639 -9.235 6.435 713 HD2 PHE 99 1HD PHE 99 2.964 -6.145 4.665 714 HE1 PHE 99 2HE PHE 99 1.090 -10.687 4.509 715 HE2 PHE 99 1HE PHE 99 3.411 -7.598 2.730 716 HZ PHE 99 HZ PHE 99 2.474 -9.868 2.653 717 H GLU 100 H GLU 100 3.851 -5.479 9.341 718 HA GLU 100 HA GLU 100 1.684 -4.273 10.899 719 HB2 GLU 100 2HB GLU 100 3.293 -3.731 12.650 720 HB3 GLU 100 1HB GLU 100 3.339 -5.456 12.335 721 HG2 GLU 100 2HG GLU 100 5.396 -5.191 11.070 722 HG3 GLU 100 1HG GLU 100 5.325 -3.444 11.287 723 H VAL 101 H VAL 101 1.505 -2.066 10.859 724 HA VAL 101 HA VAL 101 3.275 -0.697 8.943 725 HB VAL 101 HB VAL 101 0.529 0.139 9.910 726 HG11 VAL 101 1HG1 VAL 101 2.219 1.175 7.636 727 HG12 VAL 101 2HG1 VAL 101 1.885 2.005 9.154 728 HG13 VAL 101 3HG1 VAL 101 0.577 1.697 8.009 729 HG21 VAL 101 3HG2 VAL 101 0.419 -1.934 8.636 730 HG22 VAL 101 1HG2 VAL 101 1.256 -1.164 7.297 731 HG23 VAL 101 2HG2 VAL 101 -0.353 -0.601 7.768 732 H VAL 102 H VAL 102 4.661 0.665 9.876 733 HA VAL 102 HA VAL 102 3.846 1.901 12.403 734 HB VAL 102 HB VAL 102 6.680 1.331 11.444 735 HG11 VAL 102 1HG1 VAL 102 6.552 3.314 12.833 736 HG12 VAL 102 2HG1 VAL 102 7.371 2.009 13.695 737 HG13 VAL 102 3HG1 VAL 102 5.699 2.408 14.083 738 HG21 VAL 102 3HG2 VAL 102 5.567 -0.747 12.061 739 HG22 VAL 102 1HG2 VAL 102 5.096 -0.047 13.608 740 HG23 VAL 102 2HG2 VAL 102 6.800 -0.328 13.255 741 H ASP 103 H ASP 103 3.516 4.041 12.097 742 HA ASP 103 HA ASP 103 4.637 5.278 9.706 743 HB2 ASP 103 2HB ASP 103 2.170 5.447 10.192 744 HB3 ASP 103 1HB ASP 103 2.574 6.340 11.653 745 H VAL 104 H VAL 104 5.699 7.317 9.953 746 HA VAL 104 HA VAL 104 7.347 7.301 12.303 747 HB VAL 104 HB VAL 104 8.700 9.043 11.302 748 HG11 VAL 104 1HG1 VAL 104 7.914 6.922 9.318 749 HG12 VAL 104 2HG1 VAL 104 9.121 6.773 10.594 750 HG13 VAL 104 3HG1 VAL 104 9.390 7.882 9.247 751 HG21 VAL 104 3HG2 VAL 104 6.639 9.108 9.119 752 HG22 VAL 104 1HG2 VAL 104 8.165 9.989 9.106 753 HG23 VAL 104 2HG2 VAL 104 6.924 10.395 10.299 754 H GLY 105 H GLY 105 4.432 8.917 11.593 755 HA2 GLY 105 2HA GLY 105 4.138 9.877 14.174 756 HA3 GLY 105 1HA GLY 105 4.957 11.169 13.335 757 H SER 106 H SER 106 2.705 9.384 11.412 758 HA SER 106 HA SER 106 0.820 9.852 10.388 759 HB2 SER 106 2HB SER 106 -1.139 10.677 11.771 760 HB3 SER 106 1HB SER 106 -0.313 9.284 12.449 761 HG SER 106 HG SER 106 0.775 11.572 13.376 762 H LEU 107 H LEU 107 2.873 11.653 10.238 763 HA LEU 107 HA LEU 107 2.044 14.319 10.359 764 HB2 LEU 107 2HB LEU 107 4.154 14.906 9.310 765 HB3 LEU 107 1HB LEU 107 4.382 13.726 10.566 766 HG LEU 107 HG LEU 107 5.907 13.134 8.924 767 HD11 LEU 107 1HD1 LEU 107 3.624 11.308 8.412 768 HD12 LEU 107 2HD1 LEU 107 4.856 11.171 9.662 769 HD13 LEU 107 3HD1 LEU 107 5.305 11.021 7.961 770 HD21 LEU 107 3HD2 LEU 107 3.792 13.550 6.841 771 HD22 LEU 107 1HD2 LEU 107 5.394 12.877 6.546 772 HD23 LEU 107 2HD2 LEU 107 5.226 14.539 7.127 773 H ASN 108 H ASN 108 1.936 12.027 7.718 774 HA ASN 108 HA ASN 108 0.997 14.064 5.867 775 HB2 ASN 108 2HB ASN 108 1.717 11.186 5.583 776 HB3 ASN 108 1HB ASN 108 0.473 11.785 4.510 777 HD21 ASN 108 1HD2 ASN 108 0.998 13.228 2.933 778 HD22 ASN 108 2HD2 ASN 108 2.588 13.642 2.475 779 H GLY 109 H GLY 109 -0.359 12.719 8.378 780 HA2 GLY 109 2HA GLY 109 -2.556 12.620 9.029 781 HA3 GLY 109 1HA GLY 109 -3.038 13.042 7.387 782 H THR 110 H THR 110 -1.102 10.418 8.730 783 HA THR 110 HA THR 110 -1.906 8.464 6.989 784 HB THR 110 HB THR 110 -1.033 8.059 9.826 785 HG1 THR 110 1HG THR 110 1.127 8.282 8.645 786 HG21 THR 110 3HG2 THR 110 -0.395 6.648 7.214 787 HG22 THR 110 1HG2 THR 110 -1.508 6.054 8.445 788 HG23 THR 110 2HG2 THR 110 0.213 6.190 8.802 789 H TYR 111 H TYR 111 -3.654 7.259 6.914 790 HA TYR 111 HA TYR 111 -5.445 7.077 9.243 791 HB2 TYR 111 2HB TYR 111 -5.872 8.308 6.797 792 HB3 TYR 111 1HB TYR 111 -6.568 6.707 6.566 793 HD1 TYR 111 1HD TYR 111 -6.584 8.833 9.631 794 HD2 TYR 111 2HD TYR 111 -8.847 7.169 6.437 795 HE1 TYR 111 1HE TYR 111 -8.640 9.703 10.646 796 HE2 TYR 111 2HE TYR 111 -10.915 8.026 7.455 797 HH TYR 111 HH TYR 111 -10.878 10.290 10.005 798 H VAL 112 H VAL 112 -5.646 4.975 9.826 799 HA VAL 112 HA VAL 112 -5.063 2.837 7.883 800 HB VAL 112 HB VAL 112 -4.268 2.952 10.825 801 HG11 VAL 112 1HG1 VAL 112 -3.852 0.717 8.842 802 HG12 VAL 112 2HG1 VAL 112 -4.928 0.704 10.235 803 HG13 VAL 112 3HG1 VAL 112 -3.182 0.779 10.473 804 HG21 VAL 112 3HG2 VAL 112 -1.947 2.838 10.048 805 HG22 VAL 112 1HG2 VAL 112 -2.760 4.277 9.435 806 HG23 VAL 112 2HG2 VAL 112 -2.499 2.888 8.375 807 H ASN 113 H ASN 113 -6.867 1.458 7.748 808 HA ASN 113 HA ASN 113 -8.874 0.538 8.232 809 HB2 ASN 113 2HB ASN 113 -7.481 -0.421 10.133 810 HB3 ASN 113 1HB ASN 113 -7.982 0.937 11.121 811 HD21 ASN 113 1HD2 ASN 113 -9.889 -1.032 8.920 812 HD22 ASN 113 2HD2 ASN 113 -10.999 -1.620 10.116 813 H ARG 114 H ARG 114 -8.673 3.246 7.773 814 HA ARG 114 HA ARG 114 -9.691 5.219 7.833 815 HB2 ARG 114 2HB ARG 114 -11.907 3.425 8.703 816 HB3 ARG 114 1HB ARG 114 -12.167 5.157 8.559 817 HG2 ARG 114 2HG ARG 114 -12.908 4.067 6.566 818 HG3 ARG 114 1HG ARG 114 -11.476 5.019 6.184 819 HD2 ARG 114 2HD ARG 114 -11.394 2.895 5.023 820 HD3 ARG 114 1HD ARG 114 -10.153 2.914 6.273 821 HE ARG 114 HE ARG 114 -11.902 1.644 7.619 822 HH11 ARG 114 1HH1 ARG 114 -11.676 1.332 4.048 823 HH12 ARG 114 2HH1 ARG 114 -12.221 -0.246 4.030 824 HH21 ARG 114 1HH2 ARG 114 -12.597 -0.517 7.576 825 HH22 ARG 114 2HH2 ARG 114 -12.732 -1.407 6.138 826 H GLU 115 H GLU 115 -8.310 4.317 10.416 827 HA GLU 115 HA GLU 115 -9.416 6.502 12.059 828 HB2 GLU 115 2HB GLU 115 -8.041 3.959 12.979 829 HB3 GLU 115 1HB GLU 115 -8.552 5.271 14.024 830 HG2 GLU 115 2HG GLU 115 -10.358 3.518 12.388 831 HG3 GLU 115 1HG GLU 115 -10.061 3.343 14.116 832 HA PRO 116 HA PRO 116 -5.193 8.015 11.637 833 HB2 PRO 116 2HB PRO 116 -5.035 9.559 13.910 834 HB3 PRO 116 1HB PRO 116 -5.842 10.102 12.435 835 HG2 PRO 116 2HG PRO 116 -7.012 9.035 14.955 836 HG3 PRO 116 1HG PRO 116 -7.633 10.290 13.872 837 HD2 PRO 116 2HD PRO 116 -8.569 7.715 13.936 838 HD3 PRO 116 1HD PRO 116 -8.671 8.762 12.512 839 H ARG 117 H ARG 117 -3.290 6.976 12.257 840 HA ARG 117 HA ARG 117 -3.225 5.721 14.883 841 HB2 ARG 117 2HB ARG 117 -4.462 4.261 13.199 842 HB3 ARG 117 1HB ARG 117 -2.937 4.103 12.354 843 HG2 ARG 117 2HG ARG 117 -3.388 2.194 13.699 844 HG3 ARG 117 1HG ARG 117 -1.963 3.032 14.341 845 HD2 ARG 117 2HD ARG 117 -3.438 2.300 16.145 846 HD3 ARG 117 1HD ARG 117 -3.406 4.059 16.062 847 HE ARG 117 HE ARG 117 -5.546 2.629 14.709 848 HH11 ARG 117 1HH1 ARG 117 -4.557 4.626 17.468 849 HH12 ARG 117 2HH1 ARG 117 -6.137 5.086 17.884 850 HH21 ARG 117 1HH2 ARG 117 -7.729 3.217 15.339 851 HH22 ARG 117 2HH2 ARG 117 -7.986 4.289 16.634 852 H ASN 118 H ASN 118 -1.071 5.128 15.504 853 HA ASN 118 HA ASN 118 1.038 6.347 13.900 854 HB2 ASN 118 2HB ASN 118 0.907 6.860 16.346 855 HB3 ASN 118 1HB ASN 118 1.139 5.157 16.686 856 HD21 ASN 118 1HD2 ASN 118 2.849 6.974 14.192 857 HD22 ASN 118 2HD2 ASN 118 4.413 6.809 14.890 858 H ALA 119 H ALA 119 0.461 3.283 15.639 859 HA ALA 119 HA ALA 119 1.780 1.884 13.455 860 HB1 ALA 119 1HB ALA 119 2.419 1.454 16.383 861 HB2 ALA 119 2HB ALA 119 3.493 2.187 15.194 862 HB3 ALA 119 3HB ALA 119 3.036 0.490 15.040 863 H GLN 120 H GLN 120 0.803 0.005 12.975 864 HA GLN 120 HA GLN 120 -1.132 -1.189 14.792 865 HB2 GLN 120 2HB GLN 120 -2.387 0.602 13.814 866 HB3 GLN 120 1HB GLN 120 -1.959 0.099 12.184 867 HG2 GLN 120 2HG GLN 120 -4.238 -0.519 12.671 868 HG3 GLN 120 1HG GLN 120 -3.256 -1.974 12.543 869 HE21 GLN 120 1HE2 GLN 120 -4.667 -3.181 13.724 870 HE22 GLN 120 2HE2 GLN 120 -4.890 -2.988 15.420 871 H VAL 121 H VAL 121 -1.432 -3.377 14.335 872 HA VAL 121 HA VAL 121 0.047 -4.504 12.160 873 HB VAL 121 HB VAL 121 -2.022 -5.812 13.986 874 HG11 VAL 121 1HG1 VAL 121 -1.068 -7.951 13.236 875 HG12 VAL 121 2HG1 VAL 121 -0.009 -7.089 12.120 876 HG13 VAL 121 3HG1 VAL 121 -1.755 -7.050 11.884 877 HG21 VAL 121 3HG2 VAL 121 0.995 -5.890 14.112 878 HG22 VAL 121 1HG2 VAL 121 -0.105 -6.756 15.181 879 HG23 VAL 121 2HG2 VAL 121 -0.054 -4.993 15.207 880 H MET 122 H MET 122 -0.723 -4.953 10.171 881 HA MET 122 HA MET 122 -3.254 -3.680 9.568 882 HB2 MET 122 2HB MET 122 -1.316 -2.907 8.382 883 HB3 MET 122 1HB MET 122 -0.943 -4.530 7.833 884 HG2 MET 122 2HG MET 122 -2.828 -4.518 6.365 885 HG3 MET 122 1HG MET 122 -3.423 -3.009 7.057 886 HE1 MET 122 3HE MET 122 0.548 -3.206 4.687 887 HE2 MET 122 1HE MET 122 -0.376 -4.637 5.127 888 HE3 MET 122 2HE MET 122 0.418 -3.681 6.381 889 H GLN 123 H GLN 123 -4.947 -4.641 8.724 890 HA GLN 123 HA GLN 123 -4.874 -7.546 8.584 891 HB2 GLN 123 2HB GLN 123 -7.331 -7.426 9.004 892 HB3 GLN 123 1HB GLN 123 -6.353 -6.789 10.311 893 HG2 GLN 123 2HG GLN 123 -6.814 -4.480 9.368 894 HG3 GLN 123 1HG GLN 123 -7.979 -5.272 8.306 895 HE21 GLN 123 1HE2 GLN 123 -9.709 -4.113 9.248 896 HE22 GLN 123 2HE2 GLN 123 -10.302 -4.513 10.810 897 H THR 124 H THR 124 -6.101 -8.646 6.899 898 HA THR 124 HA THR 124 -5.621 -7.518 4.418 899 HB THR 124 HB THR 124 -7.014 -9.792 4.078 900 HG1 THR 124 1HG THR 124 -7.417 -10.397 6.094 901 HG21 THR 124 3HG2 THR 124 -4.815 -10.922 4.104 902 HG22 THR 124 1HG2 THR 124 -4.121 -9.541 4.944 903 HG23 THR 124 2HG2 THR 124 -4.714 -9.357 3.293 904 H GLY 125 H GLY 125 -7.007 -6.477 3.080 905 HA2 GLY 125 2HA GLY 125 -9.081 -6.080 2.078 906 HA3 GLY 125 1HA GLY 125 -9.884 -6.711 3.514 907 H ASP 126 H ASP 126 -7.445 -4.835 4.577 908 HA ASP 126 HA ASP 126 -9.296 -2.710 5.196 909 HB2 ASP 126 2HB ASP 126 -7.977 -3.798 7.002 910 HB3 ASP 126 1HB ASP 126 -6.520 -3.078 6.310 911 H GLU 127 H GLU 127 -8.662 -0.507 5.111 912 HA GLU 127 HA GLU 127 -6.978 0.003 2.787 913 HB2 GLU 127 2HB GLU 127 -9.540 1.238 3.628 914 HB3 GLU 127 1HB GLU 127 -8.463 1.974 2.448 915 HG2 GLU 127 2HG GLU 127 -8.630 -0.100 1.088 916 HG3 GLU 127 1HG GLU 127 -9.730 -0.774 2.284 917 H ILE 128 H ILE 128 -5.484 1.435 2.929 918 HA ILE 128 HA ILE 128 -5.087 2.952 5.442 919 HB ILE 128 HB ILE 128 -2.972 2.223 3.387 920 HG12 ILE 128 2HG1 ILE 128 -3.909 0.109 4.237 921 HG13 ILE 128 1HG1 ILE 128 -2.267 0.348 4.812 922 HG21 ILE 128 1HG2 ILE 128 -2.379 4.045 4.877 923 HG22 ILE 128 2HG2 ILE 128 -1.395 2.622 5.234 924 HG23 ILE 128 3HG2 ILE 128 -2.754 3.044 6.278 925 HD11 ILE 128 3HD1 ILE 128 -3.140 1.054 6.973 926 HD12 ILE 128 1HD1 ILE 128 -3.692 -0.568 6.549 927 HD13 ILE 128 2HD1 ILE 128 -4.789 0.806 6.391 928 H GLN 129 H GLN 129 -4.965 5.186 5.168 929 HA GLN 129 HA GLN 129 -4.977 6.221 2.409 930 HB2 GLN 129 2HB GLN 129 -7.037 6.556 3.987 931 HB3 GLN 129 1HB GLN 129 -6.005 7.673 4.850 932 HG2 GLN 129 2HG GLN 129 -6.715 7.988 1.942 933 HG3 GLN 129 1HG GLN 129 -7.649 8.685 3.254 934 HE21 GLN 129 1HE2 GLN 129 -6.311 9.988 1.065 935 HE22 GLN 129 2HE2 GLN 129 -5.171 11.080 1.774 936 H ILE 130 H ILE 130 -3.390 7.594 1.857 937 HA ILE 130 HA ILE 130 -1.483 8.516 3.907 938 HB ILE 130 HB ILE 130 -0.741 7.328 1.209 939 HG12 ILE 130 2HG1 ILE 130 0.716 5.755 2.704 940 HG13 ILE 130 1HG1 ILE 130 -0.384 6.232 3.991 941 HG21 ILE 130 1HG2 ILE 130 1.607 7.678 1.819 942 HG22 ILE 130 2HG2 ILE 130 1.080 8.540 3.264 943 HG23 ILE 130 3HG2 ILE 130 0.693 9.180 1.667 944 HD11 ILE 130 3HD1 ILE 130 -2.258 5.342 2.717 945 HD12 ILE 130 1HD1 ILE 130 -1.023 4.115 3.000 946 HD13 ILE 130 2HD1 ILE 130 -1.154 4.886 1.419 947 H GLY 131 H GLY 131 -1.953 10.675 3.773 948 HA2 GLY 131 2HA GLY 131 -1.910 12.814 2.899 949 HA3 GLY 131 1HA GLY 131 -0.980 12.154 1.562 950 H LYS 132 H LYS 132 -1.969 11.752 -0.352 951 HA LYS 132 HA LYS 132 -4.845 12.450 -0.576 952 HB2 LYS 132 2HB LYS 132 -2.793 12.442 -2.792 953 HB3 LYS 132 1HB LYS 132 -4.411 13.106 -2.848 954 HG2 LYS 132 2HG LYS 132 -2.156 14.170 -1.161 955 HG3 LYS 132 1HG LYS 132 -2.645 14.811 -2.721 956 HD2 LYS 132 2HD LYS 132 -4.833 15.400 -1.784 957 HD3 LYS 132 1HD LYS 132 -4.332 14.734 -0.222 958 HE2 LYS 132 2HE LYS 132 -2.550 16.344 -0.052 959 HE3 LYS 132 1HE LYS 132 -2.894 16.952 -1.667 960 HZ1 LYS 132 3HZ LYS 132 -3.768 18.384 0.046 961 HZ2 LYS 132 1HZ LYS 132 -4.728 17.152 0.666 962 HZ3 LYS 132 2HZ LYS 132 -5.024 17.743 -0.873 963 H PHE 133 H PHE 133 -2.901 9.826 -0.422 964 HA PHE 133 HA PHE 133 -4.035 8.274 -2.654 965 HB2 PHE 133 2HB PHE 133 -1.822 7.603 -0.717 966 HB3 PHE 133 1HB PHE 133 -2.351 6.594 -2.043 967 HD1 PHE 133 1HD PHE 133 -0.594 9.661 -1.103 968 HD2 PHE 133 2HD PHE 133 -1.656 7.038 -4.263 969 HE1 PHE 133 1HE PHE 133 1.085 10.715 -2.542 970 HE2 PHE 133 2HE PHE 133 0.018 8.097 -5.701 971 HZ PHE 133 HZ PHE 133 1.383 9.935 -4.844 972 H ARG 134 H ARG 134 -5.051 6.307 -2.272 973 HA ARG 134 HA ARG 134 -5.317 5.451 0.502 974 HB2 ARG 134 2HB ARG 134 -7.449 6.650 -0.437 975 HB3 ARG 134 1HB ARG 134 -7.676 5.151 -1.336 976 HG2 ARG 134 2HG ARG 134 -7.617 3.893 0.776 977 HG3 ARG 134 1HG ARG 134 -7.461 5.409 1.658 978 HD2 ARG 134 2HD ARG 134 -9.719 4.990 1.802 979 HD3 ARG 134 1HD ARG 134 -9.630 6.055 0.406 980 HE ARG 134 HE ARG 134 -9.666 3.147 0.017 981 HH11 ARG 134 1HH1 ARG 134 -11.438 6.252 -0.375 982 HH12 ARG 134 2HH1 ARG 134 -12.559 5.498 -1.408 983 HH21 ARG 134 1HH2 ARG 134 -11.232 2.299 -1.236 984 HH22 ARG 134 2HH2 ARG 134 -12.481 3.265 -1.942 985 H LEU 135 H LEU 135 -4.650 3.488 0.681 986 HA LEU 135 HA LEU 135 -4.318 1.826 -1.714 987 HB2 LEU 135 2HB LEU 135 -2.973 1.589 0.972 988 HB3 LEU 135 1HB LEU 135 -2.585 0.684 -0.475 989 HG LEU 135 HG LEU 135 -2.179 3.628 -0.059 990 HD11 LEU 135 1HD1 LEU 135 -0.190 1.362 -0.194 991 HD12 LEU 135 2HD1 LEU 135 -0.619 2.285 1.244 992 HD13 LEU 135 3HD1 LEU 135 0.219 3.071 -0.095 993 HD21 LEU 135 3HD2 LEU 135 -1.451 1.870 -2.393 994 HD22 LEU 135 1HD2 LEU 135 -0.917 3.539 -2.171 995 HD23 LEU 135 2HD2 LEU 135 -2.629 3.186 -2.373 996 H VAL 136 H VAL 136 -5.177 -0.148 -1.737 997 HA VAL 136 HA VAL 136 -6.789 -1.022 0.589 998 HB VAL 136 HB VAL 136 -6.986 -2.042 -2.255 999 HG11 VAL 136 1HG1 VAL 136 -7.913 -3.535 -0.616 1000 HG12 VAL 136 2HG1 VAL 136 -9.209 -2.832 -1.583 1001 HG13 VAL 136 3HG1 VAL 136 -8.908 -2.238 0.050 1002 HG21 VAL 136 3HG2 VAL 136 -8.936 -0.609 -2.608 1003 HG22 VAL 136 1HG2 VAL 136 -7.477 0.331 -2.312 1004 HG23 VAL 136 2HG2 VAL 136 -8.675 0.142 -1.032 1005 H PHE 137 H PHE 137 -5.896 -2.688 1.643 1006 HA PHE 137 HA PHE 137 -3.617 -4.018 0.415 1007 HB2 PHE 137 2HB PHE 137 -3.183 -2.925 2.496 1008 HB3 PHE 137 1HB PHE 137 -4.547 -3.720 3.265 1009 HD1 PHE 137 2HD PHE 137 -1.224 -4.322 1.757 1010 HD2 PHE 137 1HD PHE 137 -4.274 -5.761 4.345 1011 HE1 PHE 137 2HE PHE 137 0.273 -6.098 2.540 1012 HE2 PHE 137 1HE PHE 137 -2.785 -7.542 5.132 1013 HZ PHE 137 HZ PHE 137 -0.504 -7.711 4.227 1014 H LEU 138 H LEU 138 -3.876 -6.002 -0.421 1015 HA LEU 138 HA LEU 138 -5.688 -7.852 0.926 1016 HB2 LEU 138 2HB LEU 138 -5.333 -7.480 -2.057 1017 HB3 LEU 138 1HB LEU 138 -6.132 -8.860 -1.337 1018 HG LEU 138 HG LEU 138 -7.088 -6.001 -1.082 1019 HD11 LEU 138 1HD1 LEU 138 -8.110 -8.258 -2.793 1020 HD12 LEU 138 2HD1 LEU 138 -7.281 -6.809 -3.368 1021 HD13 LEU 138 3HD1 LEU 138 -8.867 -6.674 -2.609 1022 HD21 LEU 138 3HD2 LEU 138 -8.375 -8.617 -0.294 1023 HD22 LEU 138 1HD2 LEU 138 -9.137 -7.029 -0.209 1024 HD23 LEU 138 2HD2 LEU 138 -7.746 -7.397 0.811 1025 H ALA 139 H ALA 139 -5.010 -10.075 0.705 1026 HA ALA 139 HA ALA 139 -2.158 -10.261 0.901 1027 HB1 ALA 139 1HB ALA 139 -2.481 -12.541 1.540 1028 HB2 ALA 139 2HB ALA 139 -4.110 -12.521 0.903 1029 HB3 ALA 139 3HB ALA 139 -3.729 -11.580 2.354 1030 H GLY 140 H GLY 140 -0.915 -11.899 -0.236 1031 HA2 GLY 140 2HA GLY 140 -1.163 -11.629 -3.020 1032 HA3 GLY 140 1HA GLY 140 -0.030 -12.664 -2.156 1033 HA PRO 141 HA PRO 141 -3.500 -14.856 -4.619 1034 HB2 PRO 141 2HB PRO 141 -1.676 -16.421 -6.003 1035 HB3 PRO 141 1HB PRO 141 -2.498 -14.982 -6.627 1036 HG2 PRO 141 2HG PRO 141 0.227 -15.296 -5.450 1037 HG3 PRO 141 1HG PRO 141 -0.294 -14.275 -6.801 1038 HD2 PRO 141 2HD PRO 141 0.185 -13.236 -4.399 1039 HD3 PRO 141 1HD PRO 141 -1.169 -12.650 -5.388 1040 H ALA 142 H ALA 142 -4.301 -16.790 -4.271 1041 HA ALA 142 HA ALA 142 -3.063 -18.459 -2.208 1042 HB1 ALA 142 1HB ALA 142 -5.316 -19.371 -1.898 1043 HB2 ALA 142 2HB ALA 142 -5.895 -18.412 -3.260 1044 HB3 ALA 142 3HB ALA 142 -5.331 -17.609 -1.796 1045 H GLU 143 H GLU 143 -1.922 -18.705 -4.757 1046 HA GLU 143 HA GLU 143 -2.775 -21.331 -5.529 1047 HB2 GLU 143 2HB GLU 143 -1.408 -20.558 -7.612 1048 HB3 GLU 143 1HB GLU 143 -3.136 -20.166 -7.490 1049 HG2 GLU 143 2HG GLU 143 -2.535 -17.973 -6.713 1050 HG3 GLU 143 1HG GLU 143 -0.813 -18.367 -6.790 Start of MODEL 7 1 H1 MET 1 1HT MET 1 23.772 -9.571 -4.199 2 H2 MET 1 2HT MET 1 25.276 -9.751 -4.949 3 H3 MET 1 3HT MET 1 24.750 -8.222 -4.409 4 HA MET 1 HA MET 1 25.223 -10.557 -2.677 5 HB2 MET 1 2HB MET 1 27.187 -9.382 -1.804 6 HB3 MET 1 1HB MET 1 27.370 -9.605 -3.529 7 HG2 MET 1 2HG MET 1 26.791 -7.271 -3.903 8 HG3 MET 1 1HG MET 1 26.542 -7.036 -2.170 9 HE1 MET 1 2HE MET 1 29.842 -5.025 -2.762 10 HE2 MET 1 3HE MET 1 28.215 -4.988 -2.082 11 HE3 MET 1 1HE MET 1 28.442 -5.120 -3.827 12 H SER 2 H SER 2 24.662 -10.277 -0.563 13 HA SER 2 HA SER 2 23.440 -9.604 1.147 14 HB2 SER 2 2HB SER 2 23.707 -6.818 -0.028 15 HB3 SER 2 1HB SER 2 23.108 -7.172 1.597 16 HG SER 2 HG SER 2 25.350 -8.441 1.453 17 H ASP 3 H ASP 3 22.231 -7.546 -1.484 18 HA ASP 3 HA ASP 3 20.296 -7.368 -2.566 19 HB2 ASP 3 2HB ASP 3 20.350 -10.337 -2.095 20 HB3 ASP 3 1HB ASP 3 19.076 -9.570 -3.037 21 H ASN 4 H ASN 4 20.188 -6.810 0.175 22 HA ASN 4 HA ASN 4 17.330 -6.879 0.531 23 HB2 ASN 4 2HB ASN 4 17.949 -8.936 1.687 24 HB3 ASN 4 1HB ASN 4 19.222 -8.085 2.553 25 HD21 ASN 4 1HD2 ASN 4 18.711 -6.944 4.383 26 HD22 ASN 4 2HD2 ASN 4 17.145 -6.933 5.095 27 H ASN 5 H ASN 5 16.645 -5.085 1.528 28 HA ASN 5 HA ASN 5 18.646 -3.091 2.147 29 HB2 ASN 5 2HB ASN 5 16.635 -2.559 0.741 30 HB3 ASN 5 1HB ASN 5 15.622 -2.882 2.137 31 HD21 ASN 5 1HD2 ASN 5 15.929 -0.473 0.559 32 HD22 ASN 5 2HD2 ASN 5 16.386 0.775 1.652 33 H GLY 6 H GLY 6 19.509 -3.735 4.089 34 HA2 GLY 6 2HA GLY 6 17.778 -4.373 6.313 35 HA3 GLY 6 1HA GLY 6 19.537 -4.275 6.347 36 H THR 7 H THR 7 20.229 -1.927 5.663 37 HA THR 7 HA THR 7 18.778 -0.148 7.474 38 HB THR 7 HB THR 7 21.691 -0.062 6.659 39 HG1 THR 7 1HG THR 7 20.484 -1.556 8.470 40 HG21 THR 7 3HG2 THR 7 21.908 1.693 8.339 41 HG22 THR 7 1HG2 THR 7 20.179 1.598 8.688 42 HG23 THR 7 2HG2 THR 7 20.734 2.160 7.112 43 HA PRO 8 HA PRO 8 18.301 2.219 3.618 44 HB2 PRO 8 2HB PRO 8 16.208 3.729 4.535 45 HB3 PRO 8 1HB PRO 8 15.977 2.138 3.801 46 HG2 PRO 8 2HG PRO 8 15.942 2.921 6.672 47 HG3 PRO 8 1HG PRO 8 14.976 1.699 5.830 48 HD2 PRO 8 2HD PRO 8 17.167 1.152 7.401 49 HD3 PRO 8 1HD PRO 8 16.577 0.087 6.116 50 H GLU 9 H GLU 9 19.308 4.204 3.320 51 HA GLU 9 HA GLU 9 20.591 5.220 5.660 52 HB2 GLU 9 2HB GLU 9 21.878 6.677 4.148 53 HB3 GLU 9 1HB GLU 9 21.943 4.997 3.660 54 HG2 GLU 9 2HG GLU 9 20.368 5.433 1.864 55 HG3 GLU 9 1HG GLU 9 20.185 7.100 2.402 56 HA PRO 10 HA PRO 10 17.727 8.387 6.515 57 HB2 PRO 10 2HB PRO 10 19.322 9.939 8.117 58 HB3 PRO 10 1HB PRO 10 18.505 8.471 8.662 59 HG2 PRO 10 2HG PRO 10 21.340 8.868 7.834 60 HG3 PRO 10 1HG PRO 10 20.676 7.857 9.128 61 HD2 PRO 10 2HD PRO 10 21.483 6.860 6.737 62 HD3 PRO 10 1HD PRO 10 20.184 6.130 7.700 63 H GLN 11 H GLN 11 17.205 9.792 5.055 64 HA GLN 11 HA GLN 11 19.154 11.777 4.099 65 HB2 GLN 11 2HB GLN 11 16.592 10.744 2.834 66 HB3 GLN 11 1HB GLN 11 17.574 12.045 2.174 67 HG2 GLN 11 2HG GLN 11 18.545 9.232 2.605 68 HG3 GLN 11 1HG GLN 11 17.933 9.854 1.073 69 HE21 GLN 11 1HE2 GLN 11 20.526 10.018 3.394 70 HE22 GLN 11 2HE2 GLN 11 21.653 10.813 2.370 71 H VAL 12 H VAL 12 18.483 13.956 4.387 72 HA VAL 12 HA VAL 12 16.213 14.080 6.227 73 HB VAL 12 HB VAL 12 18.630 15.902 6.144 74 HG11 VAL 12 1HG1 VAL 12 16.336 15.838 8.106 75 HG12 VAL 12 2HG1 VAL 12 16.594 17.071 6.875 76 HG13 VAL 12 3HG1 VAL 12 17.754 16.886 8.191 77 HG21 VAL 12 3HG2 VAL 12 19.173 13.697 6.995 78 HG22 VAL 12 1HG2 VAL 12 17.798 13.770 8.098 79 HG23 VAL 12 2HG2 VAL 12 19.158 14.868 8.315 80 H GLU 13 H GLU 13 14.552 15.353 5.906 81 HA GLU 13 HA GLU 13 14.685 17.723 4.380 82 HB2 GLU 13 2HB GLU 13 14.329 15.997 2.587 83 HB3 GLU 13 1HB GLU 13 12.866 15.484 3.419 84 HG2 GLU 13 2HG GLU 13 12.445 16.996 1.503 85 HG3 GLU 13 1HG GLU 13 11.826 17.611 3.037 86 H THR 14 H THR 14 12.786 18.957 4.763 87 HA THR 14 HA THR 14 11.639 18.296 7.351 88 HB THR 14 HB THR 14 11.523 20.856 5.740 89 HG1 THR 14 1HG THR 14 13.076 20.274 8.037 90 HG21 THR 14 3HG2 THR 14 10.869 21.904 7.870 91 HG22 THR 14 1HG2 THR 14 10.887 20.328 8.661 92 HG23 THR 14 2HG2 THR 14 9.699 20.671 7.405 93 H TPO 15 H TPO 15 9.587 17.721 7.637 94 HA TPO 15 HA TPO 15 7.734 17.757 5.350 95 HB TPO 15 HB TPO 15 7.466 16.108 7.886 96 HG21 TPO 15 1HG2 TPO 15 6.049 14.693 6.456 97 HG22 TPO 15 2HG2 TPO 15 6.350 15.764 5.090 98 HG23 TPO 15 3HG2 TPO 15 5.450 16.351 6.489 99 H SER 16 H SER 16 6.142 19.287 5.564 100 HA SER 16 HA SER 16 5.754 20.556 8.136 101 HB2 SER 16 2HB SER 16 4.459 21.183 5.472 102 HB3 SER 16 1HB SER 16 4.579 22.240 6.880 103 HG SER 16 HG SER 16 6.644 22.635 6.450 104 H VAL 17 H VAL 17 3.607 20.744 9.087 105 HA VAL 17 HA VAL 17 2.059 18.318 8.808 106 HB VAL 17 HB VAL 17 1.582 20.716 10.608 107 HG11 VAL 17 1HG1 VAL 17 0.475 17.910 10.750 108 HG12 VAL 17 2HG1 VAL 17 -0.418 19.355 10.286 109 HG13 VAL 17 3HG1 VAL 17 0.195 19.190 11.931 110 HG21 VAL 17 3HG2 VAL 17 2.935 18.111 11.210 111 HG22 VAL 17 1HG2 VAL 17 2.618 19.386 12.382 112 HG23 VAL 17 2HG2 VAL 17 3.753 19.660 11.052 113 H PHE 18 H PHE 18 0.491 18.192 7.365 114 HA PHE 18 HA PHE 18 -1.051 20.613 6.872 115 HB2 PHE 18 2HB PHE 18 -1.325 20.059 4.523 116 HB3 PHE 18 1HB PHE 18 0.388 20.126 4.900 117 HD1 PHE 18 1HD PHE 18 1.646 17.933 5.140 118 HD2 PHE 18 2HD PHE 18 -2.312 18.160 3.590 119 HE1 PHE 18 1HE PHE 18 1.918 15.721 4.099 120 HE2 PHE 18 2HE PHE 18 -2.039 15.948 2.555 121 HZ PHE 18 HZ PHE 18 0.079 14.727 2.811 122 H ARG 19 H ARG 19 -3.220 20.392 6.850 123 HA ARG 19 HA ARG 19 -4.211 17.758 7.556 124 HB2 ARG 19 2HB ARG 19 -4.904 19.591 9.027 125 HB3 ARG 19 1HB ARG 19 -5.552 20.470 7.647 126 HG2 ARG 19 2HG ARG 19 -7.222 18.750 7.300 127 HG3 ARG 19 1HG ARG 19 -6.556 17.810 8.635 128 HD2 ARG 19 2HD ARG 19 -8.578 19.109 9.252 129 HD3 ARG 19 1HD ARG 19 -7.157 19.520 10.207 130 HE ARG 19 HE ARG 19 -6.928 21.516 8.952 131 HH11 ARG 19 1HH1 ARG 19 -9.943 19.841 8.177 132 HH12 ARG 19 2HH1 ARG 19 -10.834 21.266 7.898 133 HH21 ARG 19 1HH2 ARG 19 -8.154 23.480 8.512 134 HH22 ARG 19 2HH2 ARG 19 -9.797 23.356 8.078 135 H ALA 20 H ALA 20 -4.664 16.587 5.914 136 HA ALA 20 HA ALA 20 -5.260 17.657 3.328 137 HB1 ALA 20 1HB ALA 20 -3.908 15.638 3.635 138 HB2 ALA 20 2HB ALA 20 -5.321 15.323 2.635 139 HB3 ALA 20 3HB ALA 20 -5.304 14.808 4.320 140 H ASP 21 H ASP 21 -7.136 16.106 2.224 141 HA ASP 21 HA ASP 21 -9.602 17.241 3.155 142 HB2 ASP 21 2HB ASP 21 -9.139 15.188 0.969 143 HB3 ASP 21 1HB ASP 21 -10.658 16.001 1.285 144 H LEU 22 H LEU 22 -8.019 14.918 4.451 145 HA LEU 22 HA LEU 22 -9.575 12.646 4.606 146 HB2 LEU 22 2HB LEU 22 -8.260 12.228 6.757 147 HB3 LEU 22 1HB LEU 22 -7.380 12.383 5.253 148 HG LEU 22 HG LEU 22 -6.983 14.830 5.943 149 HD11 LEU 22 1HD1 LEU 22 -8.577 15.014 7.721 150 HD12 LEU 22 2HD1 LEU 22 -6.943 15.306 8.312 151 HD13 LEU 22 3HD1 LEU 22 -7.739 13.762 8.636 152 HD21 LEU 22 3HD2 LEU 22 -5.232 13.163 5.884 153 HD22 LEU 22 1HD2 LEU 22 -5.685 12.606 7.493 154 HD23 LEU 22 2HD2 LEU 22 -5.031 14.230 7.274 155 H LEU 23 H LEU 23 -10.044 15.646 6.300 156 HA LEU 23 HA LEU 23 -11.745 14.597 8.344 157 HB2 LEU 23 2HB LEU 23 -10.600 16.788 8.541 158 HB3 LEU 23 1HB LEU 23 -11.572 17.389 7.211 159 HG LEU 23 HG LEU 23 -13.600 17.116 8.589 160 HD11 LEU 23 1HD1 LEU 23 -13.387 16.753 10.989 161 HD12 LEU 23 2HD1 LEU 23 -11.666 16.429 10.782 162 HD13 LEU 23 3HD1 LEU 23 -12.862 15.349 10.063 163 HD21 LEU 23 3HD2 LEU 23 -13.172 19.007 10.078 164 HD22 LEU 23 1HD2 LEU 23 -12.479 19.269 8.478 165 HD23 LEU 23 2HD2 LEU 23 -11.437 18.810 9.826 166 H LYS 24 H LYS 24 -12.113 15.398 5.043 167 HA LYS 24 HA LYS 24 -15.008 15.334 5.231 168 HB2 LYS 24 2HB LYS 24 -13.192 15.898 2.887 169 HB3 LYS 24 1HB LYS 24 -14.952 15.927 2.836 170 HG2 LYS 24 2HG LYS 24 -14.945 17.732 4.510 171 HG3 LYS 24 1HG LYS 24 -13.186 17.726 4.489 172 HD2 LYS 24 2HD LYS 24 -14.039 19.516 3.093 173 HD3 LYS 24 1HD LYS 24 -13.226 18.302 2.107 174 HE2 LYS 24 2HE LYS 24 -15.292 19.078 1.076 175 HE3 LYS 24 1HE LYS 24 -15.380 17.360 1.444 176 HZ1 LYS 24 3HZ LYS 24 -16.696 17.979 3.455 177 HZ2 LYS 24 1HZ LYS 24 -17.433 18.484 2.033 178 HZ3 LYS 24 2HZ LYS 24 -16.639 19.591 2.966 179 H GLU 25 H GLU 25 -12.250 13.554 4.038 180 HA GLU 25 HA GLU 25 -13.532 11.566 2.591 181 HB2 GLU 25 2HB GLU 25 -11.074 11.322 4.320 182 HB3 GLU 25 1HB GLU 25 -11.636 10.068 3.232 183 HG2 GLU 25 2HG GLU 25 -10.705 12.821 2.461 184 HG3 GLU 25 1HG GLU 25 -9.863 11.294 2.184 185 H MET 26 H MET 26 -13.068 11.835 6.066 186 HA MET 26 HA MET 26 -14.063 9.268 6.674 187 HB2 MET 26 2HB MET 26 -14.376 10.018 8.985 188 HB3 MET 26 1HB MET 26 -12.828 10.553 8.355 189 HG2 MET 26 2HG MET 26 -13.735 12.793 8.029 190 HG3 MET 26 1HG MET 26 -15.299 12.247 8.630 191 HE1 MET 26 3HE MET 26 -11.513 12.871 9.538 192 HE2 MET 26 1HE MET 26 -11.734 11.196 10.041 193 HE3 MET 26 2HE MET 26 -11.480 12.456 11.249 194 H GLU 27 H GLU 27 -15.705 12.122 5.768 195 HA GLU 27 HA GLU 27 -18.274 11.196 6.718 196 HB2 GLU 27 2HB GLU 27 -17.481 13.587 5.063 197 HB3 GLU 27 1HB GLU 27 -19.088 13.281 5.708 198 HG2 GLU 27 2HG GLU 27 -16.594 13.700 7.340 199 HG3 GLU 27 1HG GLU 27 -17.851 14.901 7.055 200 H SER 28 H SER 28 -16.690 11.930 3.606 201 HA SER 28 HA SER 28 -18.727 11.037 1.940 202 HB2 SER 28 2HB SER 28 -15.752 11.037 1.405 203 HB3 SER 28 1HB SER 28 -17.032 11.042 0.192 204 HG SER 28 HG SER 28 -16.101 13.098 0.649 205 H SER 29 H SER 29 -15.941 9.274 3.301 206 HA SER 29 HA SER 29 -16.744 6.814 2.049 207 HB2 SER 29 2HB SER 29 -14.696 7.306 4.220 208 HB3 SER 29 1HB SER 29 -14.824 5.871 3.209 209 HG SER 29 HG SER 29 -14.684 7.935 1.595 210 H THR 30 H THR 30 -17.476 8.552 4.888 211 HA THR 30 HA THR 30 -18.926 8.301 6.542 212 HB THR 30 HB THR 30 -19.827 5.791 5.124 213 HG1 THR 30 1HG THR 30 -20.010 8.451 4.593 214 HG21 THR 30 3HG2 THR 30 -21.972 6.204 6.277 215 HG22 THR 30 1HG2 THR 30 -21.261 7.590 7.105 216 HG23 THR 30 2HG2 THR 30 -20.670 5.964 7.445 217 H GLY 31 H GLY 31 -17.731 8.075 8.317 218 HA2 GLY 31 2HA GLY 31 -16.994 7.116 10.243 219 HA3 GLY 31 1HA GLY 31 -18.000 5.735 9.835 220 H THR 32 H THR 32 -16.637 4.131 10.381 221 HA THR 32 HA THR 32 -14.145 4.041 8.886 222 HB THR 32 HB THR 32 -13.660 4.183 11.288 223 HG1 THR 32 1HG THR 32 -12.268 2.908 10.133 224 HG21 THR 32 3HG2 THR 32 -15.298 1.659 11.581 225 HG22 THR 32 1HG2 THR 32 -15.729 3.257 12.197 226 HG23 THR 32 2HG2 THR 32 -14.325 2.411 12.846 227 H ALA 33 H ALA 33 -13.558 2.021 8.003 228 HA ALA 33 HA ALA 33 -15.796 0.153 7.734 229 HB1 ALA 33 1HB ALA 33 -13.671 0.836 5.696 230 HB2 ALA 33 2HB ALA 33 -15.354 1.349 5.640 231 HB3 ALA 33 3HB ALA 33 -14.951 -0.361 5.478 232 HA PRO 34 HA PRO 34 -12.736 -2.210 10.038 233 HB2 PRO 34 2HB PRO 34 -14.180 -4.528 10.173 234 HB3 PRO 34 1HB PRO 34 -14.440 -3.153 11.249 235 HG2 PRO 34 2HG PRO 34 -15.933 -3.941 8.780 236 HG3 PRO 34 1HG PRO 34 -16.567 -3.350 10.326 237 HD2 PRO 34 2HD PRO 34 -16.350 -1.764 8.181 238 HD3 PRO 34 1HD PRO 34 -16.075 -1.139 9.821 239 H ALA 35 H ALA 35 -11.159 -3.646 9.569 240 HA ALA 35 HA ALA 35 -11.144 -4.811 6.895 241 HB1 ALA 35 1HB ALA 35 -8.922 -4.489 8.903 242 HB2 ALA 35 2HB ALA 35 -9.243 -3.417 7.540 243 HB3 ALA 35 3HB ALA 35 -8.751 -5.088 7.252 244 H SER 36 H SER 36 -10.160 -7.002 6.704 245 HA SER 36 HA SER 36 -11.415 -8.726 8.672 246 HB2 SER 36 2HB SER 36 -10.248 -9.368 5.965 247 HB3 SER 36 1HB SER 36 -11.254 -10.426 6.959 248 HG SER 36 HG SER 36 -12.682 -8.395 6.842 249 H THR 37 H THR 37 -10.197 -9.486 10.243 250 HA THR 37 HA THR 37 -7.384 -9.366 10.291 251 HB THR 37 HB THR 37 -9.298 -10.940 12.016 252 HG1 THR 37 1HG THR 37 -8.820 -8.238 11.709 253 HG21 THR 37 3HG2 THR 37 -7.582 -10.649 13.744 254 HG22 THR 37 1HG2 THR 37 -6.578 -9.770 12.592 255 HG23 THR 37 2HG2 THR 37 -6.914 -11.483 12.337 256 H GLY 38 H GLY 38 -6.393 -10.607 8.733 257 HA2 GLY 38 2HA GLY 38 -6.682 -13.480 8.995 258 HA3 GLY 38 1HA GLY 38 -7.101 -12.796 7.434 259 H ALA 39 H ALA 39 -4.491 -11.947 9.669 260 HA ALA 39 HA ALA 39 -2.625 -12.189 7.435 261 HB1 ALA 39 1HB ALA 39 -0.985 -11.178 8.988 262 HB2 ALA 39 2HB ALA 39 -2.182 -11.224 10.275 263 HB3 ALA 39 3HB ALA 39 -2.441 -10.189 8.868 264 H GLU 40 H GLU 40 -3.401 -13.459 10.552 265 HA GLU 40 HA GLU 40 -1.332 -15.418 10.647 266 HB2 GLU 40 2HB GLU 40 -2.689 -16.296 12.621 267 HB3 GLU 40 1HB GLU 40 -2.036 -14.679 12.764 268 HG2 GLU 40 2HG GLU 40 -4.874 -15.154 11.891 269 HG3 GLU 40 1HG GLU 40 -4.424 -15.111 13.593 270 H ASN 41 H ASN 41 -3.975 -15.216 8.829 271 HA ASN 41 HA ASN 41 -4.735 -18.003 8.813 272 HB2 ASN 41 2HB ASN 41 -5.528 -15.632 7.140 273 HB3 ASN 41 1HB ASN 41 -5.991 -17.262 6.674 274 HD21 ASN 41 1HD2 ASN 41 -7.556 -18.302 7.825 275 HD22 ASN 41 2HD2 ASN 41 -8.523 -17.547 9.028 276 H LEU 42 H LEU 42 -2.613 -15.839 7.183 277 HA LEU 42 HA LEU 42 -1.201 -15.993 5.434 278 HB2 LEU 42 2HB LEU 42 -0.825 -18.644 6.770 279 HB3 LEU 42 1HB LEU 42 0.254 -18.068 5.503 280 HG LEU 42 HG LEU 42 -0.195 -16.735 8.186 281 HD11 LEU 42 1HD1 LEU 42 2.140 -18.346 7.163 282 HD12 LEU 42 2HD1 LEU 42 0.996 -18.844 8.407 283 HD13 LEU 42 3HD1 LEU 42 2.077 -17.477 8.694 284 HD21 LEU 42 3HD2 LEU 42 0.388 -15.115 6.459 285 HD22 LEU 42 1HD2 LEU 42 1.757 -16.116 5.964 286 HD23 LEU 42 2HD2 LEU 42 1.745 -15.359 7.555 287 HA PRO 43 HA PRO 43 -4.115 -18.099 2.640 288 HB2 PRO 43 2HB PRO 43 -3.615 -15.850 0.875 289 HB3 PRO 43 1HB PRO 43 -5.142 -16.357 1.601 290 HG2 PRO 43 2HG PRO 43 -3.773 -14.090 2.298 291 HG3 PRO 43 1HG PRO 43 -4.886 -14.935 3.392 292 HD2 PRO 43 2HD PRO 43 -1.920 -14.896 3.317 293 HD3 PRO 43 1HD PRO 43 -3.021 -15.051 4.703 294 H ALA 44 H ALA 44 -1.557 -16.136 1.192 295 HA ALA 44 HA ALA 44 -0.529 -18.593 -0.085 296 HB1 ALA 44 1HB ALA 44 0.027 -17.297 -2.082 297 HB2 ALA 44 2HB ALA 44 -0.692 -15.859 -1.356 298 HB3 ALA 44 3HB ALA 44 -1.698 -17.254 -1.749 299 H GLY 45 H GLY 45 0.142 -15.954 1.890 300 HA2 GLY 45 2HA GLY 45 2.170 -15.465 2.955 301 HA3 GLY 45 1HA GLY 45 2.990 -16.539 1.822 302 H SER 46 H SER 46 1.056 -14.672 0.028 303 HA SER 46 HA SER 46 3.099 -12.634 -0.513 304 HB2 SER 46 2HB SER 46 0.904 -13.632 -2.340 305 HB3 SER 46 1HB SER 46 2.336 -12.700 -2.782 306 HG SER 46 HG SER 46 3.552 -14.551 -2.042 307 H ALA 47 H ALA 47 2.168 -10.486 -1.008 308 HA ALA 47 HA ALA 47 -0.657 -10.120 -0.442 309 HB1 ALA 47 1HB ALA 47 -0.193 -8.378 1.191 310 HB2 ALA 47 2HB ALA 47 1.536 -8.713 1.066 311 HB3 ALA 47 3HB ALA 47 0.443 -9.933 1.725 312 H LEU 48 H LEU 48 -1.431 -8.016 -1.261 313 HA LEU 48 HA LEU 48 0.560 -6.460 -2.632 314 HB2 LEU 48 2HB LEU 48 -0.616 -6.392 -4.727 315 HB3 LEU 48 1HB LEU 48 -0.302 -8.053 -4.322 316 HG LEU 48 HG LEU 48 -2.368 -8.046 -5.347 317 HD11 LEU 48 1HD1 LEU 48 -2.501 -9.487 -3.550 318 HD12 LEU 48 2HD1 LEU 48 -4.066 -8.708 -3.762 319 HD13 LEU 48 3HD1 LEU 48 -2.993 -8.193 -2.459 320 HD21 LEU 48 3HD2 LEU 48 -3.256 -5.705 -3.676 321 HD22 LEU 48 1HD2 LEU 48 -4.295 -6.596 -4.788 322 HD23 LEU 48 2HD2 LEU 48 -2.906 -5.708 -5.403 323 H LEU 49 H LEU 49 -0.110 -4.336 -3.015 324 HA LEU 49 HA LEU 49 -2.630 -3.601 -1.733 325 HB2 LEU 49 2HB LEU 49 -1.713 -1.570 -0.789 326 HB3 LEU 49 1HB LEU 49 -0.777 -2.924 -0.217 327 HG LEU 49 HG LEU 49 0.147 -1.066 -2.427 328 HD11 LEU 49 1HD1 LEU 49 -0.155 0.172 -0.351 329 HD12 LEU 49 2HD1 LEU 49 1.555 -0.023 -0.726 330 HD13 LEU 49 3HD1 LEU 49 0.807 -1.024 0.517 331 HD21 LEU 49 3HD2 LEU 49 2.367 -1.975 -1.880 332 HD22 LEU 49 1HD2 LEU 49 1.264 -3.241 -2.428 333 HD23 LEU 49 2HD2 LEU 49 1.623 -3.064 -0.712 334 H VAL 50 H VAL 50 -3.878 -2.292 -2.845 335 HA VAL 50 HA VAL 50 -2.830 -1.413 -5.437 336 HB VAL 50 HB VAL 50 -4.619 -3.110 -5.623 337 HG11 VAL 50 1HG1 VAL 50 -6.392 -1.129 -4.220 338 HG12 VAL 50 2HG1 VAL 50 -5.866 -2.695 -3.604 339 HG13 VAL 50 3HG1 VAL 50 -6.937 -2.613 -5.003 340 HG21 VAL 50 3HG2 VAL 50 -5.483 -0.378 -6.576 341 HG22 VAL 50 1HG2 VAL 50 -6.112 -1.911 -7.180 342 HG23 VAL 50 2HG2 VAL 50 -4.417 -1.496 -7.428 343 H VAL 51 H VAL 51 -3.049 0.672 -6.040 344 HA VAL 51 HA VAL 51 -3.792 2.535 -3.927 345 HB VAL 51 HB VAL 51 -2.913 3.261 -6.715 346 HG11 VAL 51 1HG1 VAL 51 -2.059 5.289 -5.624 347 HG12 VAL 51 2HG1 VAL 51 -2.637 4.688 -4.073 348 HG13 VAL 51 3HG1 VAL 51 -3.788 5.070 -5.351 349 HG21 VAL 51 3HG2 VAL 51 -0.579 3.339 -5.933 350 HG22 VAL 51 1HG2 VAL 51 -1.232 1.703 -5.890 351 HG23 VAL 51 2HG2 VAL 51 -1.078 2.629 -4.398 352 H LYS 52 H LYS 52 -5.712 3.236 -3.751 353 HA LYS 52 HA LYS 52 -7.702 2.767 -5.833 354 HB2 LYS 52 2HB LYS 52 -7.943 2.019 -3.463 355 HB3 LYS 52 1HB LYS 52 -7.963 3.699 -2.981 356 HG2 LYS 52 2HG LYS 52 -10.070 3.993 -4.243 357 HG3 LYS 52 1HG LYS 52 -10.029 2.266 -4.633 358 HD2 LYS 52 2HD LYS 52 -9.964 1.764 -2.192 359 HD3 LYS 52 1HD LYS 52 -10.158 3.481 -1.866 360 HE2 LYS 52 2HE LYS 52 -12.275 2.377 -1.633 361 HE3 LYS 52 1HE LYS 52 -12.337 3.411 -3.051 362 HZ1 LYS 52 3HZ LYS 52 -11.893 0.480 -3.053 363 HZ2 LYS 52 1HZ LYS 52 -11.985 1.454 -4.419 364 HZ3 LYS 52 2HZ LYS 52 -13.340 1.264 -3.455 365 H ARG 53 H ARG 53 -6.085 5.340 -4.132 366 HA ARG 53 HA ARG 53 -7.167 7.342 -5.942 367 HB2 ARG 53 2HB ARG 53 -8.756 7.431 -4.073 368 HB3 ARG 53 1HB ARG 53 -7.435 7.554 -2.928 369 HG2 ARG 53 2HG ARG 53 -8.484 9.700 -3.196 370 HG3 ARG 53 1HG ARG 53 -6.849 9.743 -3.842 371 HD2 ARG 53 2HD ARG 53 -8.327 10.933 -5.325 372 HD3 ARG 53 1HD ARG 53 -7.782 9.455 -6.107 373 HE ARG 53 HE ARG 53 -10.153 8.805 -4.916 374 HH11 ARG 53 1HH1 ARG 53 -9.133 11.236 -7.272 375 HH12 ARG 53 2HH1 ARG 53 -10.608 11.263 -8.118 376 HH21 ARG 53 1HH2 ARG 53 -12.218 8.844 -6.108 377 HH22 ARG 53 2HH2 ARG 53 -12.374 9.900 -7.430 378 H GLY 54 H GLY 54 -5.695 8.904 -6.387 379 HA2 GLY 54 2HA GLY 54 -3.893 10.296 -5.374 380 HA3 GLY 54 1HA GLY 54 -3.147 8.754 -4.946 381 HA PRO 55 HA PRO 55 -1.897 10.275 -9.338 382 HB2 PRO 55 2HB PRO 55 0.733 9.949 -7.952 383 HB3 PRO 55 1HB PRO 55 0.271 11.094 -9.220 384 HG2 PRO 55 2HG PRO 55 0.400 11.941 -6.733 385 HG3 PRO 55 1HG PRO 55 -0.972 12.418 -7.750 386 HD2 PRO 55 2HD PRO 55 -0.856 10.367 -5.577 387 HD3 PRO 55 1HD PRO 55 -2.145 11.523 -5.971 388 H ASN 56 H ASN 56 -0.725 7.738 -7.125 389 HA ASN 56 HA ASN 56 0.039 6.070 -9.389 390 HB2 ASN 56 2HB ASN 56 0.086 5.463 -6.428 391 HB3 ASN 56 1HB ASN 56 0.623 4.353 -7.675 392 HD21 ASN 56 1HD2 ASN 56 2.124 5.347 -5.502 393 HD22 ASN 56 2HD2 ASN 56 3.468 6.197 -6.166 394 H ALA 57 H ALA 57 -2.919 6.816 -8.376 395 HA ALA 57 HA ALA 57 -4.193 4.471 -7.577 396 HB1 ALA 57 1HB ALA 57 -5.272 6.673 -7.524 397 HB2 ALA 57 2HB ALA 57 -6.269 5.466 -8.335 398 HB3 ALA 57 3HB ALA 57 -5.370 6.654 -9.282 399 H GLY 58 H GLY 58 -4.875 2.718 -8.512 400 HA2 GLY 58 2HA GLY 58 -5.719 1.543 -10.410 401 HA3 GLY 58 1HA GLY 58 -4.719 2.565 -11.436 402 H ALA 59 H ALA 59 -2.469 2.230 -9.429 403 HA ALA 59 HA ALA 59 -1.476 -0.233 -10.609 404 HB1 ALA 59 1HB ALA 59 -0.055 1.765 -10.708 405 HB2 ALA 59 2HB ALA 59 0.710 0.482 -9.771 406 HB3 ALA 59 3HB ALA 59 -0.043 1.845 -8.946 407 H ARG 60 H ARG 60 -0.511 -1.902 -9.349 408 HA ARG 60 HA ARG 60 -1.161 -1.897 -6.511 409 HB2 ARG 60 2HB ARG 60 -1.906 -4.219 -6.586 410 HB3 ARG 60 1HB ARG 60 -2.904 -3.263 -7.665 411 HG2 ARG 60 2HG ARG 60 -1.683 -4.115 -9.583 412 HG3 ARG 60 1HG ARG 60 -0.604 -5.018 -8.523 413 HD2 ARG 60 2HD ARG 60 -2.564 -6.300 -7.702 414 HD3 ARG 60 1HD ARG 60 -3.574 -5.445 -8.871 415 HE ARG 60 HE ARG 60 -1.523 -6.486 -10.330 416 HH11 ARG 60 1HH1 ARG 60 -4.107 -7.859 -8.312 417 HH12 ARG 60 2HH1 ARG 60 -4.055 -9.391 -9.074 418 HH21 ARG 60 1HH2 ARG 60 -1.529 -8.605 -11.403 419 HH22 ARG 60 2HH2 ARG 60 -2.586 -9.810 -10.846 420 H PHE 61 H PHE 61 0.385 -2.777 -5.260 421 HA PHE 61 HA PHE 61 2.815 -3.651 -6.678 422 HB2 PHE 61 2HB PHE 61 2.625 -2.186 -4.034 423 HB3 PHE 61 1HB PHE 61 4.114 -2.692 -4.821 424 HD1 PHE 61 1HD PHE 61 4.824 -1.584 -6.929 425 HD2 PHE 61 2HD PHE 61 1.489 -0.202 -4.669 426 HE1 PHE 61 1HE PHE 61 4.914 0.572 -8.115 427 HE2 PHE 61 2HE PHE 61 1.575 1.952 -5.855 428 HZ PHE 61 HZ PHE 61 3.286 2.340 -7.580 429 H LEU 62 H LEU 62 3.850 -5.436 -5.943 430 HA LEU 62 HA LEU 62 2.318 -7.160 -4.149 431 HB2 LEU 62 2HB LEU 62 3.081 -7.778 -6.548 432 HB3 LEU 62 1HB LEU 62 4.694 -7.859 -5.891 433 HG LEU 62 HG LEU 62 3.736 -10.079 -6.206 434 HD11 LEU 62 1HD1 LEU 62 4.016 -9.474 -3.280 435 HD12 LEU 62 2HD1 LEU 62 5.322 -9.854 -4.395 436 HD13 LEU 62 3HD1 LEU 62 4.095 -11.069 -4.028 437 HD21 LEU 62 3HD2 LEU 62 1.837 -10.862 -4.909 438 HD22 LEU 62 1HD2 LEU 62 1.392 -9.533 -5.976 439 HD23 LEU 62 2HD2 LEU 62 1.611 -9.244 -4.248 440 H LEU 63 H LEU 63 3.087 -7.580 -2.162 441 HA LEU 63 HA LEU 63 5.716 -6.521 -1.436 442 HB2 LEU 63 2HB LEU 63 3.385 -7.280 0.322 443 HB3 LEU 63 1HB LEU 63 4.905 -6.619 0.882 444 HG LEU 63 HG LEU 63 2.840 -5.198 -0.794 445 HD11 LEU 63 1HD1 LEU 63 3.740 -4.788 2.050 446 HD12 LEU 63 2HD1 LEU 63 2.189 -5.445 1.529 447 HD13 LEU 63 3HD1 LEU 63 2.600 -3.765 1.181 448 HD21 LEU 63 3HD2 LEU 63 5.072 -4.471 -1.445 449 HD22 LEU 63 1HD2 LEU 63 5.496 -4.210 0.250 450 HD23 LEU 63 2HD2 LEU 63 4.263 -3.211 -0.516 451 H ASP 64 H ASP 64 7.218 -7.942 -1.486 452 HA ASP 64 HA ASP 64 6.821 -10.554 -0.168 453 HB2 ASP 64 2HB ASP 64 6.888 -10.884 -2.653 454 HB3 ASP 64 1HB ASP 64 8.455 -10.092 -2.694 455 H GLN 65 H GLN 65 8.148 -7.696 0.024 456 HA GLN 65 HA GLN 65 10.751 -8.599 0.917 457 HB2 GLN 65 2HB GLN 65 11.502 -6.243 0.768 458 HB3 GLN 65 1HB GLN 65 10.992 -6.854 -0.774 459 HG2 GLN 65 2HG GLN 65 9.235 -5.109 0.964 460 HG3 GLN 65 1HG GLN 65 10.393 -4.444 -0.172 461 HE21 GLN 65 1HE2 GLN 65 8.765 -3.383 -1.376 462 HE22 GLN 65 2HE2 GLN 65 7.655 -4.268 -2.343 463 HA PRO 66 HA PRO 66 9.459 -8.180 5.097 464 HB2 PRO 66 2HB PRO 66 12.219 -7.269 5.658 465 HB3 PRO 66 1HB PRO 66 11.322 -8.632 6.335 466 HG2 PRO 66 2HG PRO 66 13.269 -9.024 4.566 467 HG3 PRO 66 1HG PRO 66 11.786 -9.997 4.544 468 HD2 PRO 66 2HD PRO 66 12.594 -7.737 2.768 469 HD3 PRO 66 1HD PRO 66 11.768 -9.264 2.386 470 H THR 67 H THR 67 10.947 -5.502 3.461 471 HA THR 67 HA THR 67 9.729 -3.718 5.439 472 HB THR 67 HB THR 67 12.489 -3.278 4.273 473 HG1 THR 67 1HG THR 67 11.645 -4.562 6.653 474 HG21 THR 67 3HG2 THR 67 12.656 -1.556 5.987 475 HG22 THR 67 1HG2 THR 67 11.037 -1.951 6.575 476 HG23 THR 67 2HG2 THR 67 11.247 -1.263 4.966 477 H THR 68 H THR 68 8.382 -2.395 4.298 478 HA THR 68 HA THR 68 9.299 -1.493 1.659 479 HB THR 68 HB THR 68 6.441 -1.997 2.517 480 HG1 THR 68 1HG THR 68 7.962 -3.879 2.260 481 HG21 THR 68 3HG2 THR 68 7.677 -1.567 -0.204 482 HG22 THR 68 1HG2 THR 68 6.796 -0.352 0.727 483 HG23 THR 68 2HG2 THR 68 5.960 -1.792 0.147 484 H THR 69 H THR 69 9.806 0.644 2.053 485 HA THR 69 HA THR 69 8.291 2.182 3.995 486 HB THR 69 HB THR 69 10.575 3.001 2.166 487 HG1 THR 69 1HG THR 69 10.510 1.581 4.472 488 HG21 THR 69 3HG2 THR 69 10.854 4.920 3.687 489 HG22 THR 69 1HG2 THR 69 9.436 4.405 4.602 490 HG23 THR 69 2HG2 THR 69 9.260 4.946 2.933 491 H ALA 70 H ALA 70 6.825 3.822 3.471 492 HA ALA 70 HA ALA 70 6.298 4.203 0.623 493 HB1 ALA 70 1HB ALA 70 4.323 4.209 2.910 494 HB2 ALA 70 2HB ALA 70 4.502 2.935 1.706 495 HB3 ALA 70 3HB ALA 70 3.945 4.536 1.220 496 H GLY 71 H GLY 71 6.260 6.254 -0.053 497 HA2 GLY 71 2HA GLY 71 5.437 8.498 1.120 498 HA3 GLY 71 1HA GLY 71 7.034 8.281 1.822 499 H ARG 72 H ARG 72 8.227 9.713 0.934 500 HA ARG 72 HA ARG 72 8.244 10.148 -1.963 501 HB2 ARG 72 2HB ARG 72 8.718 12.131 0.269 502 HB3 ARG 72 1HB ARG 72 8.925 12.471 -1.443 503 HG2 ARG 72 2HG ARG 72 6.313 11.607 -0.221 504 HG3 ARG 72 1HG ARG 72 6.796 13.287 -0.441 505 HD2 ARG 72 2HD ARG 72 6.616 11.278 -2.675 506 HD3 ARG 72 1HD ARG 72 5.320 12.383 -2.234 507 HE ARG 72 HE ARG 72 7.154 14.148 -2.629 508 HH11 ARG 72 1HH1 ARG 72 6.688 11.233 -4.607 509 HH12 ARG 72 2HH1 ARG 72 7.318 11.962 -6.024 510 HH21 ARG 72 1HH2 ARG 72 7.946 15.085 -4.548 511 HH22 ARG 72 2HH2 ARG 72 8.050 14.185 -5.991 512 H HIS 73 H HIS 73 10.254 10.665 -2.861 513 HA HIS 73 HA HIS 73 12.465 10.685 -3.184 514 HB2 HIS 73 2HB HIS 73 12.633 11.645 -0.783 515 HB3 HIS 73 1HB HIS 73 12.928 10.001 -0.249 516 HD1 HIS 73 1HD HIS 73 15.409 9.286 -0.257 517 HD2 HIS 73 2HD HIS 73 14.637 12.674 -2.542 518 HE1 HIS 73 1HE HIS 73 17.648 10.138 -1.034 519 HA PRO 74 HA PRO 74 13.027 6.468 -4.413 520 HB2 PRO 74 2HB PRO 74 15.834 6.418 -4.428 521 HB3 PRO 74 1HB PRO 74 14.786 6.871 -5.773 522 HG2 PRO 74 2HG PRO 74 16.169 8.615 -3.780 523 HG3 PRO 74 1HG PRO 74 15.908 8.879 -5.515 524 HD2 PRO 74 2HD PRO 74 14.456 10.171 -3.722 525 HD3 PRO 74 1HD PRO 74 13.689 9.532 -5.193 526 H GLU 75 H GLU 75 14.085 7.490 -1.360 527 HA GLU 75 HA GLU 75 15.124 4.924 -0.579 528 HB2 GLU 75 2HB GLU 75 14.445 7.361 1.075 529 HB3 GLU 75 1HB GLU 75 15.097 5.875 1.752 530 HG2 GLU 75 2HG GLU 75 16.437 7.714 -0.219 531 HG3 GLU 75 1HG GLU 75 16.891 7.434 1.463 532 H SER 76 H SER 76 12.093 6.287 -1.004 533 HA SER 76 HA SER 76 10.788 4.441 0.763 534 HB2 SER 76 2HB SER 76 9.719 6.446 -1.243 535 HB3 SER 76 1HB SER 76 8.714 5.472 -0.166 536 HG SER 76 HG SER 76 10.276 7.705 0.406 537 H ASP 77 H ASP 77 9.855 2.582 0.092 538 HA ASP 77 HA ASP 77 10.817 1.460 -2.377 539 HB2 ASP 77 2HB ASP 77 10.580 0.270 -0.106 540 HB3 ASP 77 1HB ASP 77 8.863 0.182 -0.465 541 H ILE 78 H ILE 78 7.741 2.343 -0.935 542 HA ILE 78 HA ILE 78 6.462 2.180 -3.559 543 HB ILE 78 HB ILE 78 5.220 2.833 -0.852 544 HG12 ILE 78 2HG1 ILE 78 5.938 0.511 -0.897 545 HG13 ILE 78 1HG1 ILE 78 4.182 0.592 -0.963 546 HG21 ILE 78 1HG2 ILE 78 3.054 2.524 -1.974 547 HG22 ILE 78 2HG2 ILE 78 3.892 2.285 -3.506 548 HG23 ILE 78 3HG2 ILE 78 3.984 3.843 -2.687 549 HD11 ILE 78 3HD1 ILE 78 5.038 -1.127 -2.440 550 HD12 ILE 78 1HD1 ILE 78 6.034 0.060 -3.281 551 HD13 ILE 78 2HD1 ILE 78 4.275 0.158 -3.375 552 H PHE 79 H PHE 79 6.926 3.894 -4.695 553 HA PHE 79 HA PHE 79 7.534 6.403 -3.412 554 HB2 PHE 79 2HB PHE 79 8.924 5.419 -5.262 555 HB3 PHE 79 1HB PHE 79 7.571 5.673 -6.347 556 HD1 PHE 79 1HD PHE 79 6.903 7.970 -6.971 557 HD2 PHE 79 2HD PHE 79 10.346 7.203 -4.596 558 HE1 PHE 79 1HE PHE 79 7.746 10.222 -7.472 559 HE2 PHE 79 2HE PHE 79 11.192 9.454 -5.091 560 HZ PHE 79 HZ PHE 79 9.892 10.966 -6.534 561 H LEU 80 H LEU 80 5.870 7.571 -2.899 562 HA LEU 80 HA LEU 80 3.428 7.684 -4.547 563 HB2 LEU 80 2HB LEU 80 4.087 8.917 -1.860 564 HB3 LEU 80 1HB LEU 80 2.512 8.869 -2.621 565 HG LEU 80 HG LEU 80 4.033 6.472 -1.584 566 HD11 LEU 80 1HD1 LEU 80 2.314 6.396 0.138 567 HD12 LEU 80 2HD1 LEU 80 1.614 7.886 -0.494 568 HD13 LEU 80 3HD1 LEU 80 3.234 7.898 0.202 569 HD21 LEU 80 3HD2 LEU 80 1.947 5.241 -1.990 570 HD22 LEU 80 1HD2 LEU 80 2.620 5.883 -3.487 571 HD23 LEU 80 2HD2 LEU 80 1.244 6.681 -2.726 572 H ASP 81 H ASP 81 2.890 9.622 -5.580 573 HA ASP 81 HA ASP 81 5.088 11.567 -5.633 574 HB2 ASP 81 2HB ASP 81 4.472 10.497 -7.790 575 HB3 ASP 81 1HB ASP 81 2.861 11.190 -7.642 576 H ASP 82 H ASP 82 4.786 13.425 -4.556 577 HA ASP 82 HA ASP 82 2.211 14.730 -4.522 578 HB2 ASP 82 2HB ASP 82 2.248 13.091 -2.540 579 HB3 ASP 82 1HB ASP 82 3.571 14.049 -1.891 580 H VAL 83 H VAL 83 2.610 16.842 -3.114 581 HA VAL 83 HA VAL 83 5.035 18.032 -4.172 582 HB VAL 83 HB VAL 83 2.872 19.302 -2.460 583 HG11 VAL 83 1HG1 VAL 83 4.945 20.568 -2.444 584 HG12 VAL 83 2HG1 VAL 83 3.707 21.433 -3.356 585 HG13 VAL 83 3HG1 VAL 83 4.982 20.563 -4.206 586 HG21 VAL 83 3HG2 VAL 83 3.135 19.251 -5.462 587 HG22 VAL 83 1HG2 VAL 83 1.964 20.213 -4.559 588 HG23 VAL 83 2HG2 VAL 83 1.888 18.451 -4.506 589 H THR 84 H THR 84 3.627 16.955 -1.189 590 HA THR 84 HA THR 84 5.447 18.228 0.599 591 HB THR 84 HB THR 84 3.792 15.776 1.160 592 HG1 THR 84 1HG THR 84 2.316 17.010 0.225 593 HG21 THR 84 3HG2 THR 84 3.554 16.872 3.368 594 HG22 THR 84 1HG2 THR 84 4.531 18.223 2.791 595 HG23 THR 84 2HG2 THR 84 5.250 16.620 2.952 596 H VAL 85 H VAL 85 7.518 17.483 1.055 597 HA VAL 85 HA VAL 85 8.228 14.863 0.039 598 HB VAL 85 HB VAL 85 10.067 16.714 1.555 599 HG11 VAL 85 1HG1 VAL 85 11.826 15.480 0.310 600 HG12 VAL 85 2HG1 VAL 85 10.565 14.451 -0.365 601 HG13 VAL 85 3HG1 VAL 85 10.858 14.457 1.371 602 HG21 VAL 85 3HG2 VAL 85 9.760 16.605 -1.439 603 HG22 VAL 85 1HG2 VAL 85 10.872 17.617 -0.534 604 HG23 VAL 85 2HG2 VAL 85 9.130 17.909 -0.427 605 H SER 86 H SER 86 7.296 13.450 1.355 606 HA SER 86 HA SER 86 8.118 13.557 4.132 607 HB2 SER 86 2HB SER 86 5.643 13.342 3.647 608 HB3 SER 86 1HB SER 86 5.985 11.767 2.930 609 HG SER 86 HG SER 86 6.371 10.943 4.851 610 H ARG 87 H ARG 87 10.109 12.878 3.870 611 HA ARG 87 HA ARG 87 11.137 10.830 2.281 612 HB2 ARG 87 2HB ARG 87 13.065 10.875 3.856 613 HB3 ARG 87 1HB ARG 87 12.588 12.469 3.289 614 HG2 ARG 87 2HG ARG 87 11.402 12.867 5.407 615 HG3 ARG 87 1HG ARG 87 11.877 11.266 5.966 616 HD2 ARG 87 2HD ARG 87 14.210 11.906 5.848 617 HD3 ARG 87 1HD ARG 87 13.759 13.486 5.220 618 HE ARG 87 HE ARG 87 12.479 13.624 7.462 619 HH11 ARG 87 1HH1 ARG 87 15.667 12.111 7.033 620 HH12 ARG 87 2HH1 ARG 87 16.207 12.495 8.608 621 HH21 ARG 87 1HH2 ARG 87 13.267 14.195 9.559 622 HH22 ARG 87 2HH2 ARG 87 14.820 13.769 10.069 623 H ARG 88 H ARG 88 9.597 10.727 5.394 624 HA ARG 88 HA ARG 88 9.557 7.833 5.324 625 HB2 ARG 88 2HB ARG 88 10.638 9.473 7.641 626 HB3 ARG 88 1HB ARG 88 10.167 7.790 7.779 627 HG2 ARG 88 2HG ARG 88 12.260 8.677 5.808 628 HG3 ARG 88 1HG ARG 88 12.657 8.328 7.490 629 HD2 ARG 88 2HD ARG 88 11.248 6.370 5.668 630 HD3 ARG 88 1HD ARG 88 13.002 6.405 5.896 631 HE ARG 88 HE ARG 88 12.012 6.352 8.402 632 HH11 ARG 88 1HH1 ARG 88 11.605 4.083 5.656 633 HH12 ARG 88 2HH1 ARG 88 11.345 2.763 6.712 634 HH21 ARG 88 1HH2 ARG 88 11.754 4.506 9.710 635 HH22 ARG 88 2HH2 ARG 88 11.419 2.986 9.007 636 H HIS 89 H HIS 89 7.319 8.005 4.932 637 HA HIS 89 HA HIS 89 5.785 9.429 6.973 638 HB2 HIS 89 2HB HIS 89 4.991 9.870 4.715 639 HB3 HIS 89 1HB HIS 89 4.915 8.146 4.366 640 HD2 HIS 89 2HD HIS 89 2.993 10.702 6.713 641 HE1 HIS 89 1HE HIS 89 0.559 7.388 5.899 642 HE2 HIS 89 2HE HIS 89 0.930 9.354 7.362 643 H ALA 90 H ALA 90 5.866 6.220 5.420 644 HA ALA 90 HA ALA 90 5.423 5.019 7.997 645 HB1 ALA 90 1HB ALA 90 3.388 3.837 7.319 646 HB2 ALA 90 2HB ALA 90 3.368 4.724 5.796 647 HB3 ALA 90 3HB ALA 90 3.129 5.582 7.317 648 H GLU 91 H GLU 91 5.612 2.750 7.852 649 HA GLU 91 HA GLU 91 6.417 1.773 5.276 650 HB2 GLU 91 2HB GLU 91 8.422 0.620 6.148 651 HB3 GLU 91 1HB GLU 91 8.559 2.364 6.215 652 HG2 GLU 91 2HG GLU 91 8.022 2.263 8.620 653 HG3 GLU 91 1HG GLU 91 8.015 0.503 8.513 654 H PHE 92 H PHE 92 6.118 -0.320 4.937 655 HA PHE 92 HA PHE 92 4.312 -1.640 6.824 656 HB2 PHE 92 2HB PHE 92 4.818 -2.387 3.934 657 HB3 PHE 92 1HB PHE 92 3.455 -2.827 4.944 658 HD1 PHE 92 1HD PHE 92 1.940 -0.841 5.713 659 HD2 PHE 92 2HD PHE 92 4.607 -0.689 2.405 660 HE1 PHE 92 1HE PHE 92 0.648 1.028 4.751 661 HE2 PHE 92 2HE PHE 92 3.328 1.167 1.446 662 HZ PHE 92 HZ PHE 92 1.345 2.033 2.621 663 H ARG 93 H ARG 93 5.242 -3.284 7.844 664 HA ARG 93 HA ARG 93 7.661 -4.363 6.603 665 HB2 ARG 93 2HB ARG 93 7.087 -4.301 9.568 666 HB3 ARG 93 1HB ARG 93 8.540 -4.893 8.788 667 HG2 ARG 93 2HG ARG 93 8.905 -2.536 7.950 668 HG3 ARG 93 1HG ARG 93 7.600 -2.049 9.035 669 HD2 ARG 93 2HD ARG 93 10.210 -3.357 9.775 670 HD3 ARG 93 1HD ARG 93 9.688 -1.723 10.185 671 HE ARG 93 HE ARG 93 7.794 -3.157 11.382 672 HH11 ARG 93 1HH1 ARG 93 11.314 -3.653 11.398 673 HH12 ARG 93 2HH1 ARG 93 11.313 -4.428 12.912 674 HH21 ARG 93 1HH2 ARG 93 7.782 -4.281 13.311 675 HH22 ARG 93 2HH2 ARG 93 9.221 -4.818 14.061 676 H ILE 94 H ILE 94 7.854 -6.475 6.528 677 HA ILE 94 HA ILE 94 5.626 -8.086 7.495 678 HB ILE 94 HB ILE 94 7.495 -8.630 5.121 679 HG12 ILE 94 2HG1 ILE 94 5.315 -8.719 3.787 680 HG13 ILE 94 1HG1 ILE 94 4.529 -8.040 5.200 681 HG21 ILE 94 1HG2 ILE 94 7.015 -10.682 6.296 682 HG22 ILE 94 2HG2 ILE 94 6.206 -10.668 4.729 683 HG23 ILE 94 3HG2 ILE 94 5.283 -10.365 6.203 684 HD11 ILE 94 3HD1 ILE 94 5.886 -6.013 4.968 685 HD12 ILE 94 1HD1 ILE 94 4.951 -6.347 3.510 686 HD13 ILE 94 2HD1 ILE 94 6.675 -6.709 3.551 687 H ASN 95 H ASN 95 6.282 -9.117 9.227 688 HA ASN 95 HA ASN 95 9.091 -9.920 9.441 689 HB2 ASN 95 2HB ASN 95 8.932 -7.864 10.731 690 HB3 ASN 95 1HB ASN 95 7.501 -8.451 11.565 691 HD21 ASN 95 1HD2 ASN 95 7.741 -9.883 13.278 692 HD22 ASN 95 2HD2 ASN 95 9.271 -10.323 13.933 693 H GLU 96 H GLU 96 9.225 -11.959 9.816 694 HA GLU 96 HA GLU 96 8.794 -14.090 10.420 695 HB2 GLU 96 2HB GLU 96 7.494 -12.631 12.727 696 HB3 GLU 96 1HB GLU 96 7.781 -14.369 12.711 697 HG2 GLU 96 2HG GLU 96 10.137 -14.055 12.590 698 HG3 GLU 96 1HG GLU 96 9.947 -12.324 12.337 699 H GLY 97 H GLY 97 7.068 -13.017 8.531 700 HA2 GLY 97 2HA GLY 97 5.347 -13.990 7.322 701 HA3 GLY 97 1HA GLY 97 4.907 -14.921 8.742 702 H GLU 98 H GLU 98 5.060 -11.923 9.976 703 HA GLU 98 HA GLU 98 2.191 -11.553 9.591 704 HB2 GLU 98 2HB GLU 98 4.021 -10.362 11.672 705 HB3 GLU 98 1HB GLU 98 2.269 -10.271 11.643 706 HG2 GLU 98 2HG GLU 98 2.179 -12.722 11.918 707 HG3 GLU 98 1HG GLU 98 3.932 -12.738 12.036 708 H PHE 99 H PHE 99 1.382 -9.465 9.226 709 HA PHE 99 HA PHE 99 3.235 -7.706 7.767 710 HB2 PHE 99 2HB PHE 99 0.219 -7.969 7.520 711 HB3 PHE 99 1HB PHE 99 1.262 -6.982 6.512 712 HD1 PHE 99 2HD PHE 99 0.121 -10.382 7.249 713 HD2 PHE 99 1HD PHE 99 2.559 -7.976 4.735 714 HE1 PHE 99 2HE PHE 99 0.326 -12.255 5.668 715 HE2 PHE 99 1HE PHE 99 2.771 -9.844 3.149 716 HZ PHE 99 HZ PHE 99 1.654 -11.987 3.615 717 H GLU 100 H GLU 100 3.553 -5.724 8.722 718 HA GLU 100 HA GLU 100 1.450 -4.669 10.481 719 HB2 GLU 100 2HB GLU 100 3.227 -3.735 11.934 720 HB3 GLU 100 1HB GLU 100 3.181 -5.494 11.936 721 HG2 GLU 100 2HG GLU 100 5.101 -5.633 10.559 722 HG3 GLU 100 1HG GLU 100 5.047 -3.908 10.212 723 H VAL 101 H VAL 101 1.182 -2.440 10.457 724 HA VAL 101 HA VAL 101 2.727 -0.950 8.416 725 HB VAL 101 HB VAL 101 0.112 -0.125 9.678 726 HG11 VAL 101 1HG1 VAL 101 1.361 1.701 8.750 727 HG12 VAL 101 2HG1 VAL 101 -0.078 1.407 7.774 728 HG13 VAL 101 3HG1 VAL 101 1.501 0.868 7.202 729 HG21 VAL 101 3HG2 VAL 101 -0.393 -2.130 8.532 730 HG22 VAL 101 1HG2 VAL 101 0.473 -1.605 7.080 731 HG23 VAL 101 2HG2 VAL 101 -1.007 -0.783 7.579 732 H VAL 102 H VAL 102 4.179 0.414 9.386 733 HA VAL 102 HA VAL 102 3.304 1.542 11.900 734 HB VAL 102 HB VAL 102 5.742 1.862 12.521 735 HG11 VAL 102 1HG1 VAL 102 4.385 0.134 13.569 736 HG12 VAL 102 2HG1 VAL 102 6.035 -0.443 13.331 737 HG13 VAL 102 3HG1 VAL 102 4.750 -0.973 12.247 738 HG21 VAL 102 3HG2 VAL 102 6.744 1.522 10.325 739 HG22 VAL 102 1HG2 VAL 102 6.185 -0.150 10.315 740 HG23 VAL 102 2HG2 VAL 102 7.394 0.365 11.489 741 H ASP 103 H ASP 103 2.952 3.553 11.881 742 HA ASP 103 HA ASP 103 3.815 5.271 9.724 743 HB2 ASP 103 2HB ASP 103 1.595 5.665 10.290 744 HB3 ASP 103 1HB ASP 103 1.902 5.481 12.008 745 H VAL 104 H VAL 104 5.272 6.832 9.853 746 HA VAL 104 HA VAL 104 6.429 7.499 12.458 747 HB VAL 104 HB VAL 104 8.709 7.625 11.419 748 HG11 VAL 104 1HG1 VAL 104 7.430 4.899 11.292 749 HG12 VAL 104 2HG1 VAL 104 8.112 5.664 12.727 750 HG13 VAL 104 3HG1 VAL 104 9.162 5.218 11.383 751 HG21 VAL 104 3HG2 VAL 104 8.062 7.841 9.077 752 HG22 VAL 104 1HG2 VAL 104 7.397 6.208 9.100 753 HG23 VAL 104 2HG2 VAL 104 9.131 6.455 9.298 754 H GLY 105 H GLY 105 4.666 8.658 10.047 755 HA2 GLY 105 2HA GLY 105 5.856 11.321 10.248 756 HA3 GLY 105 1HA GLY 105 5.522 10.657 8.658 757 H SER 106 H SER 106 3.860 10.910 11.775 758 HA SER 106 HA SER 106 1.236 10.772 10.879 759 HB2 SER 106 2HB SER 106 2.156 12.285 13.305 760 HB3 SER 106 1HB SER 106 0.676 11.347 13.087 761 HG SER 106 HG SER 106 2.253 9.490 12.753 762 H LEU 107 H LEU 107 3.400 13.281 10.471 763 HA LEU 107 HA LEU 107 1.807 15.602 10.862 764 HB2 LEU 107 2HB LEU 107 4.228 15.329 9.075 765 HB3 LEU 107 1HB LEU 107 3.567 16.819 9.684 766 HG LEU 107 HG LEU 107 5.411 16.568 10.983 767 HD11 LEU 107 1HD1 LEU 107 3.286 15.238 12.607 768 HD12 LEU 107 2HD1 LEU 107 3.698 16.959 12.548 769 HD13 LEU 107 3HD1 LEU 107 4.820 15.805 13.245 770 HD21 LEU 107 3HD2 LEU 107 4.983 13.591 11.287 771 HD22 LEU 107 1HD2 LEU 107 6.330 14.530 11.901 772 HD23 LEU 107 2HD2 LEU 107 6.103 14.354 10.160 773 H ASN 108 H ASN 108 2.030 13.300 8.358 774 HA ASN 108 HA ASN 108 0.883 15.017 6.301 775 HB2 ASN 108 2HB ASN 108 1.480 12.050 6.251 776 HB3 ASN 108 1HB ASN 108 0.964 13.007 4.877 777 HD21 ASN 108 1HD2 ASN 108 3.606 12.262 7.025 778 HD22 ASN 108 2HD2 ASN 108 4.834 12.944 6.016 779 H GLY 109 H GLY 109 -0.247 13.349 8.913 780 HA2 GLY 109 2HA GLY 109 -2.414 12.974 9.610 781 HA3 GLY 109 1HA GLY 109 -2.977 13.475 8.024 782 H THR 110 H THR 110 -1.143 10.752 9.491 783 HA THR 110 HA THR 110 -1.920 8.910 7.503 784 HB THR 110 HB THR 110 -1.041 8.315 10.319 785 HG1 THR 110 1HG THR 110 1.128 8.648 9.491 786 HG21 THR 110 3HG2 THR 110 -1.624 6.395 8.891 787 HG22 THR 110 1HG2 THR 110 0.111 6.433 9.199 788 HG23 THR 110 2HG2 THR 110 -0.524 6.979 7.645 789 H TYR 111 H TYR 111 -3.855 7.847 7.351 790 HA TYR 111 HA TYR 111 -5.320 7.190 9.783 791 HB2 TYR 111 2HB TYR 111 -6.486 8.533 7.337 792 HB3 TYR 111 1HB TYR 111 -7.481 7.556 8.395 793 HD1 TYR 111 2HD TYR 111 -5.249 10.552 8.386 794 HD2 TYR 111 1HD TYR 111 -8.493 8.541 10.252 795 HE1 TYR 111 2HE TYR 111 -5.662 12.529 9.790 796 HE2 TYR 111 1HE TYR 111 -8.915 10.511 11.656 797 HH TYR 111 HH TYR 111 -7.764 12.429 12.485 798 H VAL 112 H VAL 112 -6.260 5.214 9.755 799 HA VAL 112 HA VAL 112 -6.045 3.656 7.276 800 HB VAL 112 HB VAL 112 -5.728 2.585 10.113 801 HG11 VAL 112 1HG1 VAL 112 -5.104 0.475 9.019 802 HG12 VAL 112 2HG1 VAL 112 -5.439 1.200 7.445 803 HG13 VAL 112 3HG1 VAL 112 -6.744 0.973 8.607 804 HG21 VAL 112 3HG2 VAL 112 -3.751 3.877 9.450 805 HG22 VAL 112 1HG2 VAL 112 -3.617 2.923 7.974 806 HG23 VAL 112 2HG2 VAL 112 -3.378 2.157 9.545 807 H ASN 113 H ASN 113 -7.960 3.080 6.608 808 HA ASN 113 HA ASN 113 -10.248 2.797 6.450 809 HB2 ASN 113 2HB ASN 113 -9.831 1.666 9.234 810 HB3 ASN 113 1HB ASN 113 -11.304 1.478 8.293 811 HD21 ASN 113 1HD2 ASN 113 -9.347 -0.436 9.353 812 HD22 ASN 113 2HD2 ASN 113 -8.774 -1.360 8.036 813 H ARG 114 H ARG 114 -9.483 5.406 7.157 814 HA ARG 114 HA ARG 114 -10.203 7.341 7.941 815 HB2 ARG 114 2HB ARG 114 -12.672 5.699 8.081 816 HB3 ARG 114 1HB ARG 114 -12.682 7.301 8.794 817 HG2 ARG 114 2HG ARG 114 -13.582 7.221 6.540 818 HG3 ARG 114 1HG ARG 114 -12.204 8.305 6.669 819 HD2 ARG 114 2HD ARG 114 -12.115 7.144 4.590 820 HD3 ARG 114 1HD ARG 114 -10.833 6.547 5.613 821 HE ARG 114 HE ARG 114 -11.614 4.627 4.763 822 HH11 ARG 114 1HH1 ARG 114 -14.526 5.839 6.561 823 HH12 ARG 114 2HH1 ARG 114 -15.538 4.677 5.874 824 HH21 ARG 114 1HH2 ARG 114 -13.079 3.067 3.919 825 HH22 ARG 114 2HH2 ARG 114 -14.729 3.061 4.328 826 H GLU 115 H GLU 115 -9.190 5.155 9.870 827 HA GLU 115 HA GLU 115 -9.969 6.484 12.360 828 HB2 GLU 115 2HB GLU 115 -8.923 3.739 11.734 829 HB3 GLU 115 1HB GLU 115 -8.890 4.404 13.358 830 HG2 GLU 115 2HG GLU 115 -11.387 4.178 11.731 831 HG3 GLU 115 1HG GLU 115 -10.808 2.895 12.797 832 HA PRO 116 HA PRO 116 -5.726 7.967 12.340 833 HB2 PRO 116 2HB PRO 116 -5.629 8.667 15.003 834 HB3 PRO 116 1HB PRO 116 -6.332 9.708 13.765 835 HG2 PRO 116 2HG PRO 116 -7.695 7.889 15.702 836 HG3 PRO 116 1HG PRO 116 -8.186 9.495 15.134 837 HD2 PRO 116 2HD PRO 116 -9.296 7.211 14.207 838 HD3 PRO 116 1HD PRO 116 -9.123 8.664 13.202 839 H ARG 117 H ARG 117 -4.049 6.557 12.478 840 HA ARG 117 HA ARG 117 -3.843 4.708 14.697 841 HB2 ARG 117 2HB ARG 117 -5.415 3.677 13.051 842 HB3 ARG 117 1HB ARG 117 -4.175 3.814 11.824 843 HG2 ARG 117 2HG ARG 117 -4.288 1.559 12.602 844 HG3 ARG 117 1HG ARG 117 -2.768 2.274 13.134 845 HD2 ARG 117 2HD ARG 117 -3.854 0.893 14.889 846 HD3 ARG 117 1HD ARG 117 -3.626 2.568 15.358 847 HE ARG 117 HE ARG 117 -5.825 2.789 15.607 848 HH11 ARG 117 1HH1 ARG 117 -5.524 0.024 13.339 849 HH12 ARG 117 2HH1 ARG 117 -7.107 -0.515 13.612 850 HH21 ARG 117 1HH2 ARG 117 -8.021 1.986 15.927 851 HH22 ARG 117 2HH2 ARG 117 -8.532 0.593 15.088 852 H ASN 118 H ASN 118 -1.658 4.234 14.999 853 HA ASN 118 HA ASN 118 0.078 5.393 12.969 854 HB2 ASN 118 2HB ASN 118 0.713 4.984 15.904 855 HB3 ASN 118 1HB ASN 118 1.790 5.697 14.710 856 HD21 ASN 118 1HD2 ASN 118 1.213 7.771 13.799 857 HD22 ASN 118 2HD2 ASN 118 0.157 8.820 14.664 858 H ALA 119 H ALA 119 0.111 2.696 15.360 859 HA ALA 119 HA ALA 119 1.455 1.204 13.216 860 HB1 ALA 119 1HB ALA 119 2.603 -0.101 14.966 861 HB2 ALA 119 2HB ALA 119 1.880 0.931 16.198 862 HB3 ALA 119 3HB ALA 119 3.033 1.610 15.046 863 H GLN 120 H GLN 120 0.499 -0.623 12.694 864 HA GLN 120 HA GLN 120 -1.276 -1.944 14.457 865 HB2 GLN 120 2HB GLN 120 -3.321 -1.780 13.360 866 HB3 GLN 120 1HB GLN 120 -2.722 -0.148 13.575 867 HG2 GLN 120 2HG GLN 120 -2.542 0.213 11.362 868 HG3 GLN 120 1HG GLN 120 -2.158 -1.486 11.007 869 HE21 GLN 120 1HE2 GLN 120 -3.755 -3.009 11.050 870 HE22 GLN 120 2HE2 GLN 120 -5.380 -2.646 10.869 871 H VAL 121 H VAL 121 -2.178 -3.923 13.659 872 HA VAL 121 HA VAL 121 -0.150 -5.259 12.058 873 HB VAL 121 HB VAL 121 -2.748 -6.329 13.239 874 HG11 VAL 121 1HG1 VAL 121 -1.749 -8.540 12.939 875 HG12 VAL 121 2HG1 VAL 121 -0.337 -7.801 12.186 876 HG13 VAL 121 3HG1 VAL 121 -1.914 -7.689 11.402 877 HG21 VAL 121 3HG2 VAL 121 -1.277 -5.539 15.018 878 HG22 VAL 121 1HG2 VAL 121 0.047 -6.506 14.369 879 HG23 VAL 121 2HG2 VAL 121 -1.383 -7.298 15.031 880 H MET 122 H MET 122 -0.559 -5.795 9.900 881 HA MET 122 HA MET 122 -2.747 -4.227 8.799 882 HB2 MET 122 2HB MET 122 -0.409 -3.959 7.965 883 HB3 MET 122 1HB MET 122 -0.449 -5.619 7.438 884 HG2 MET 122 2HG MET 122 -1.973 -5.180 5.724 885 HG3 MET 122 1HG MET 122 -2.409 -3.609 6.397 886 HE1 MET 122 3HE MET 122 1.337 -4.864 6.202 887 HE2 MET 122 1HE MET 122 1.783 -4.385 4.566 888 HE3 MET 122 2HE MET 122 0.596 -5.667 4.814 889 H GLN 123 H GLN 123 -4.504 -5.040 7.909 890 HA GLN 123 HA GLN 123 -4.782 -7.950 7.807 891 HB2 GLN 123 2HB GLN 123 -6.860 -5.848 8.415 892 HB3 GLN 123 1HB GLN 123 -7.053 -7.592 8.520 893 HG2 GLN 123 2HG GLN 123 -5.519 -7.690 10.376 894 HG3 GLN 123 1HG GLN 123 -5.183 -5.966 10.226 895 HE21 GLN 123 1HE2 GLN 123 -5.851 -5.474 12.224 896 HE22 GLN 123 2HE2 GLN 123 -7.494 -5.509 12.744 897 H THR 124 H THR 124 -6.336 -8.651 6.188 898 HA THR 124 HA THR 124 -5.971 -7.191 3.785 899 HB THR 124 HB THR 124 -5.980 -9.679 3.790 900 HG1 THR 124 1HG THR 124 -8.106 -9.452 2.154 901 HG21 THR 124 3HG2 THR 124 -7.744 -10.088 5.459 902 HG22 THR 124 1HG2 THR 124 -8.089 -10.942 3.952 903 HG23 THR 124 2HG2 THR 124 -8.943 -9.452 4.334 904 H GLY 125 H GLY 125 -7.298 -5.791 2.848 905 HA2 GLY 125 2HA GLY 125 -9.409 -4.834 2.389 906 HA3 GLY 125 1HA GLY 125 -9.998 -5.471 3.916 907 H ASP 126 H ASP 126 -7.059 -4.268 4.797 908 HA ASP 126 HA ASP 126 -8.141 -1.886 5.913 909 HB2 ASP 126 2HB ASP 126 -5.315 -2.910 5.690 910 HB3 ASP 126 1HB ASP 126 -5.609 -1.258 6.187 911 H GLU 127 H GLU 127 -8.165 0.146 5.210 912 HA GLU 127 HA GLU 127 -6.697 0.688 2.744 913 HB2 GLU 127 2HB GLU 127 -8.297 2.516 2.287 914 HB3 GLU 127 1HB GLU 127 -9.129 0.978 2.414 915 HG2 GLU 127 2HG GLU 127 -9.821 1.549 4.685 916 HG3 GLU 127 1HG GLU 127 -8.982 3.089 4.547 917 H ILE 128 H ILE 128 -5.162 2.068 2.873 918 HA ILE 128 HA ILE 128 -4.780 3.531 5.411 919 HB ILE 128 HB ILE 128 -2.646 2.490 3.515 920 HG12 ILE 128 2HG1 ILE 128 -3.495 1.372 6.202 921 HG13 ILE 128 1HG1 ILE 128 -3.938 0.676 4.650 922 HG21 ILE 128 1HG2 ILE 128 -1.105 3.019 5.371 923 HG22 ILE 128 2HG2 ILE 128 -2.458 3.655 6.307 924 HG23 ILE 128 3HG2 ILE 128 -1.965 4.456 4.817 925 HD11 ILE 128 3HD1 ILE 128 -1.558 0.275 4.191 926 HD12 ILE 128 1HD1 ILE 128 -2.123 -0.543 5.650 927 HD13 ILE 128 2HD1 ILE 128 -1.172 0.934 5.785 928 H GLN 129 H GLN 129 -4.977 5.632 5.142 929 HA GLN 129 HA GLN 129 -4.509 6.596 2.457 930 HB2 GLN 129 2HB GLN 129 -6.010 8.514 3.016 931 HB3 GLN 129 1HB GLN 129 -6.799 6.949 2.917 932 HG2 GLN 129 2HG GLN 129 -6.697 6.869 5.421 933 HG3 GLN 129 1HG GLN 129 -6.109 8.532 5.360 934 HE21 GLN 129 1HE2 GLN 129 -7.815 9.226 3.058 935 HE22 GLN 129 2HE2 GLN 129 -9.406 9.360 3.688 936 H ILE 130 H ILE 130 -3.073 7.888 1.992 937 HA ILE 130 HA ILE 130 -1.368 9.054 4.115 938 HB ILE 130 HB ILE 130 -0.642 8.745 1.213 939 HG12 ILE 130 2HG1 ILE 130 -1.252 6.459 1.843 940 HG13 ILE 130 1HG1 ILE 130 0.482 6.584 1.620 941 HG21 ILE 130 1HG2 ILE 130 0.784 10.158 2.470 942 HG22 ILE 130 2HG2 ILE 130 1.656 8.696 2.009 943 HG23 ILE 130 3HG2 ILE 130 1.065 8.888 3.662 944 HD11 ILE 130 3HD1 ILE 130 -0.959 6.517 4.258 945 HD12 ILE 130 1HD1 ILE 130 0.787 6.593 4.022 946 HD13 ILE 130 2HD1 ILE 130 -0.111 5.166 3.501 947 H GLY 131 H GLY 131 -2.305 11.139 4.250 948 HA2 GLY 131 2HA GLY 131 -3.039 13.216 3.586 949 HA3 GLY 131 1HA GLY 131 -1.949 13.030 2.222 950 H LYS 132 H LYS 132 -2.758 12.539 0.252 951 HA LYS 132 HA LYS 132 -5.678 12.575 -0.081 952 HB2 LYS 132 2HB LYS 132 -5.214 13.072 -2.454 953 HB3 LYS 132 1HB LYS 132 -4.476 14.236 -1.373 954 HG2 LYS 132 2HG LYS 132 -2.306 13.164 -1.652 955 HG3 LYS 132 1HG LYS 132 -3.032 11.934 -2.673 956 HD2 LYS 132 2HD LYS 132 -1.864 13.639 -3.988 957 HD3 LYS 132 1HD LYS 132 -3.588 13.619 -4.342 958 HE2 LYS 132 2HE LYS 132 -2.703 15.893 -4.182 959 HE3 LYS 132 1HE LYS 132 -3.920 15.589 -2.957 960 HZ1 LYS 132 3HZ LYS 132 -2.285 15.484 -1.281 961 HZ2 LYS 132 1HZ LYS 132 -1.878 16.809 -2.214 962 HZ3 LYS 132 2HZ LYS 132 -0.992 15.377 -2.349 963 H PHE 133 H PHE 133 -2.997 10.449 -0.320 964 HA PHE 133 HA PHE 133 -4.004 8.675 -2.362 965 HB2 PHE 133 2HB PHE 133 -1.860 8.254 -0.285 966 HB3 PHE 133 1HB PHE 133 -2.206 7.167 -1.608 967 HD1 PHE 133 1HD PHE 133 -0.998 10.566 -0.795 968 HD2 PHE 133 2HD PHE 133 -1.184 7.446 -3.673 969 HE1 PHE 133 1HE PHE 133 0.696 11.715 -2.136 970 HE2 PHE 133 2HE PHE 133 0.508 8.594 -5.027 971 HZ PHE 133 HZ PHE 133 1.451 10.731 -4.260 972 H ARG 134 H ARG 134 -4.949 6.676 -2.016 973 HA ARG 134 HA ARG 134 -5.079 5.743 0.711 974 HB2 ARG 134 2HB ARG 134 -7.426 5.297 0.793 975 HB3 ARG 134 1HB ARG 134 -7.291 6.928 0.180 976 HG2 ARG 134 2HG ARG 134 -7.493 5.757 -2.150 977 HG3 ARG 134 1HG ARG 134 -8.126 4.437 -1.170 978 HD2 ARG 134 2HD ARG 134 -9.209 7.244 -1.220 979 HD3 ARG 134 1HD ARG 134 -9.930 5.847 -2.004 980 HE ARG 134 HE ARG 134 -9.944 5.014 0.503 981 HH11 ARG 134 1HH1 ARG 134 -10.779 8.183 -0.817 982 HH12 ARG 134 2HH1 ARG 134 -11.815 8.638 0.419 983 HH21 ARG 134 1HH2 ARG 134 -11.444 5.490 2.178 984 HH22 ARG 134 2HH2 ARG 134 -12.338 6.959 2.142 985 H LEU 135 H LEU 135 -4.344 3.846 0.848 986 HA LEU 135 HA LEU 135 -4.060 2.180 -1.559 987 HB2 LEU 135 2HB LEU 135 -2.649 2.070 1.115 988 HB3 LEU 135 1HB LEU 135 -2.401 0.935 -0.186 989 HG LEU 135 HG LEU 135 -0.554 2.359 -0.123 990 HD11 LEU 135 1HD1 LEU 135 -2.284 3.227 -2.387 991 HD12 LEU 135 2HD1 LEU 135 -1.248 1.802 -2.315 992 HD13 LEU 135 3HD1 LEU 135 -0.533 3.414 -2.295 993 HD21 LEU 135 3HD2 LEU 135 -1.416 4.230 1.147 994 HD22 LEU 135 1HD2 LEU 135 -2.418 4.724 -0.218 995 HD23 LEU 135 2HD2 LEU 135 -0.660 4.816 -0.336 996 H VAL 136 H VAL 136 -4.931 0.166 -1.559 997 HA VAL 136 HA VAL 136 -6.301 -0.666 0.906 998 HB VAL 136 HB VAL 136 -7.107 -1.409 -1.933 999 HG11 VAL 136 1HG1 VAL 136 -9.108 -2.373 -0.852 1000 HG12 VAL 136 2HG1 VAL 136 -8.407 -2.001 0.723 1001 HG13 VAL 136 3HG1 VAL 136 -7.618 -3.167 -0.339 1002 HG21 VAL 136 3HG2 VAL 136 -9.103 -0.039 -1.530 1003 HG22 VAL 136 1HG2 VAL 136 -7.629 0.929 -1.467 1004 HG23 VAL 136 2HG2 VAL 136 -8.441 0.460 0.027 1005 H PHE 137 H PHE 137 -5.550 -2.414 1.781 1006 HA PHE 137 HA PHE 137 -3.495 -3.910 0.363 1007 HB2 PHE 137 2HB PHE 137 -2.892 -3.020 2.530 1008 HB3 PHE 137 1HB PHE 137 -4.281 -3.800 3.273 1009 HD1 PHE 137 1HD PHE 137 -1.084 -4.474 1.537 1010 HD2 PHE 137 2HD PHE 137 -4.117 -5.973 4.113 1011 HE1 PHE 137 1HE PHE 137 0.307 -6.431 2.042 1012 HE2 PHE 137 2HE PHE 137 -2.732 -7.933 4.622 1013 HZ PHE 137 HZ PHE 137 -0.518 -8.167 3.585 1014 H LEU 138 H LEU 138 -3.796 -5.909 -0.361 1015 HA LEU 138 HA LEU 138 -6.000 -7.475 0.748 1016 HB2 LEU 138 2HB LEU 138 -5.026 -7.462 -2.126 1017 HB3 LEU 138 1HB LEU 138 -6.131 -8.645 -1.477 1018 HG LEU 138 HG LEU 138 -7.732 -6.689 -1.057 1019 HD11 LEU 138 1HD1 LEU 138 -7.451 -4.718 -2.461 1020 HD12 LEU 138 2HD1 LEU 138 -5.859 -5.292 -2.957 1021 HD13 LEU 138 3HD1 LEU 138 -6.152 -4.856 -1.274 1022 HD21 LEU 138 3HD2 LEU 138 -8.078 -8.320 -2.817 1023 HD22 LEU 138 1HD2 LEU 138 -6.990 -7.423 -3.881 1024 HD23 LEU 138 2HD2 LEU 138 -8.521 -6.706 -3.378 1025 H ALA 139 H ALA 139 -5.433 -9.443 1.443 1026 HA ALA 139 HA ALA 139 -2.598 -10.118 1.104 1027 HB1 ALA 139 1HB ALA 139 -3.321 -9.714 3.427 1028 HB2 ALA 139 2HB ALA 139 -2.729 -11.354 3.171 1029 HB3 ALA 139 3HB ALA 139 -4.462 -11.055 3.285 1030 H GLY 140 H GLY 140 -2.033 -11.913 0.090 1031 HA2 GLY 140 2HA GLY 140 -2.223 -14.233 -0.289 1032 HA3 GLY 140 1HA GLY 140 -3.938 -14.090 0.015 1033 HA PRO 141 HA PRO 141 -3.754 -13.123 -4.636 1034 HB2 PRO 141 2HB PRO 141 -1.435 -12.355 -5.803 1035 HB3 PRO 141 1HB PRO 141 -2.630 -11.209 -5.192 1036 HG2 PRO 141 2HG PRO 141 -0.077 -12.160 -3.950 1037 HG3 PRO 141 1HG PRO 141 -0.757 -10.526 -3.946 1038 HD2 PRO 141 2HD PRO 141 -0.932 -12.220 -1.826 1039 HD3 PRO 141 1HD PRO 141 -2.162 -10.997 -2.169 1040 H ALA 142 H ALA 142 -3.163 -14.516 -6.306 1041 HA ALA 142 HA ALA 142 -0.916 -16.267 -6.033 1042 HB1 ALA 142 1HB ALA 142 -2.457 -17.316 -4.426 1043 HB2 ALA 142 2HB ALA 142 -2.157 -18.359 -5.819 1044 HB3 ALA 142 3HB ALA 142 -3.671 -17.461 -5.699 1045 H GLU 143 H GLU 143 -0.529 -15.354 -8.045 1046 HA GLU 143 HA GLU 143 -2.284 -16.310 -10.162 1047 HB2 GLU 143 2HB GLU 143 -1.745 -13.872 -10.151 1048 HB3 GLU 143 1HB GLU 143 -0.040 -14.272 -10.276 1049 HG2 GLU 143 2HG GLU 143 -0.853 -13.625 -12.427 1050 HG3 GLU 143 1HG GLU 143 -0.488 -15.344 -12.452 Start of MODEL 8 1 H1 MET 1 1HT MET 1 27.973 -10.434 18.877 2 H2 MET 1 2HT MET 1 29.219 -11.447 19.380 3 H3 MET 1 3HT MET 1 28.164 -11.914 18.124 4 HA MET 1 HA MET 1 29.978 -9.616 18.009 5 HB2 MET 1 2HB MET 1 31.288 -10.886 16.376 6 HB3 MET 1 1HB MET 1 31.245 -11.761 17.889 7 HG2 MET 1 2HG MET 1 29.568 -12.371 15.456 8 HG3 MET 1 1HG MET 1 31.038 -13.218 15.920 9 HE1 MET 1 2HE MET 1 30.719 -13.521 19.089 10 HE2 MET 1 3HE MET 1 31.218 -14.826 18.018 11 HE3 MET 1 1HE MET 1 29.919 -15.088 19.182 12 H SER 2 H SER 2 29.741 -8.380 16.146 13 HA SER 2 HA SER 2 27.869 -9.219 14.131 14 HB2 SER 2 2HB SER 2 27.428 -6.737 15.811 15 HB3 SER 2 1HB SER 2 26.571 -7.106 14.314 16 HG SER 2 HG SER 2 26.591 -9.077 16.259 17 H ASP 3 H ASP 3 27.908 -7.717 12.320 18 HA ASP 3 HA ASP 3 30.601 -6.798 11.852 19 HB2 ASP 3 2HB ASP 3 28.181 -6.937 10.043 20 HB3 ASP 3 1HB ASP 3 29.752 -6.343 9.530 21 H ASN 4 H ASN 4 30.948 -4.924 12.897 22 HA ASN 4 HA ASN 4 29.023 -2.795 12.655 23 HB2 ASN 4 2HB ASN 4 31.746 -2.868 13.982 24 HB3 ASN 4 1HB ASN 4 30.728 -1.437 13.932 25 HD21 ASN 4 1HD2 ASN 4 28.823 -1.410 15.172 26 HD22 ASN 4 2HD2 ASN 4 28.584 -2.502 16.484 27 H ASN 5 H ASN 5 28.873 -2.306 10.644 28 HA ASN 5 HA ASN 5 31.257 -1.392 9.173 29 HB2 ASN 5 2HB ASN 5 30.247 -3.464 8.250 30 HB3 ASN 5 1HB ASN 5 28.699 -2.642 8.124 31 HD21 ASN 5 1HD2 ASN 5 28.534 -2.896 5.943 32 HD22 ASN 5 2HD2 ASN 5 29.537 -2.061 4.812 33 H GLY 6 H GLY 6 30.934 0.481 7.905 34 HA2 GLY 6 2HA GLY 6 29.255 2.453 8.966 35 HA3 GLY 6 1HA GLY 6 30.143 2.560 7.456 36 H THR 7 H THR 7 27.111 1.969 8.898 37 HA THR 7 HA THR 7 25.820 1.063 6.497 38 HB THR 7 HB THR 7 24.623 2.058 9.103 39 HG1 THR 7 1HG THR 7 24.451 -0.166 9.559 40 HG21 THR 7 3HG2 THR 7 23.436 0.327 6.917 41 HG22 THR 7 1HG2 THR 7 23.027 2.015 7.220 42 HG23 THR 7 2HG2 THR 7 22.634 0.783 8.420 43 HA PRO 8 HA PRO 8 25.261 5.250 4.851 44 HB2 PRO 8 2HB PRO 8 22.959 3.898 3.515 45 HB3 PRO 8 1HB PRO 8 24.230 4.901 2.806 46 HG2 PRO 8 2HG PRO 8 24.271 2.264 2.480 47 HG3 PRO 8 1HG PRO 8 25.770 3.160 2.780 48 HD2 PRO 8 2HD PRO 8 24.163 1.474 4.656 49 HD3 PRO 8 1HD PRO 8 25.926 1.638 4.501 50 H GLU 9 H GLU 9 24.095 6.860 5.705 51 HA GLU 9 HA GLU 9 21.938 6.217 7.505 52 HB2 GLU 9 2HB GLU 9 23.325 8.840 6.946 53 HB3 GLU 9 1HB GLU 9 22.229 8.507 8.281 54 HG2 GLU 9 2HG GLU 9 23.821 6.881 9.175 55 HG3 GLU 9 1HG GLU 9 24.914 7.226 7.837 56 HA PRO 10 HA PRO 10 18.704 7.592 4.717 57 HB2 PRO 10 2HB PRO 10 17.552 8.989 7.067 58 HB3 PRO 10 1HB PRO 10 16.817 7.771 6.025 59 HG2 PRO 10 2HG PRO 10 17.613 7.186 8.519 60 HG3 PRO 10 1HG PRO 10 17.737 6.013 7.199 61 HD2 PRO 10 2HD PRO 10 19.902 7.634 8.486 62 HD3 PRO 10 1HD PRO 10 19.937 5.994 7.814 63 H GLN 11 H GLN 11 17.992 9.530 3.718 64 HA GLN 11 HA GLN 11 19.770 11.779 4.208 65 HB2 GLN 11 2HB GLN 11 17.770 11.419 1.962 66 HB3 GLN 11 1HB GLN 11 19.062 12.604 2.050 67 HG2 GLN 11 2HG GLN 11 20.701 10.731 2.010 68 HG3 GLN 11 1HG GLN 11 19.358 9.629 1.731 69 HE21 GLN 11 1HE2 GLN 11 20.015 8.990 -0.265 70 HE22 GLN 11 2HE2 GLN 11 20.010 10.032 -1.646 71 H VAL 12 H VAL 12 18.614 14.010 3.886 72 HA VAL 12 HA VAL 12 16.366 13.892 5.760 73 HB VAL 12 HB VAL 12 18.390 16.119 5.371 74 HG11 VAL 12 1HG1 VAL 12 17.368 17.158 7.350 75 HG12 VAL 12 2HG1 VAL 12 16.135 15.898 7.369 76 HG13 VAL 12 3HG1 VAL 12 16.223 17.026 6.016 77 HG21 VAL 12 3HG2 VAL 12 19.169 15.508 7.619 78 HG22 VAL 12 1HG2 VAL 12 19.340 14.172 6.480 79 HG23 VAL 12 2HG2 VAL 12 18.015 14.175 7.645 80 H GLU 13 H GLU 13 14.508 14.792 5.292 81 HA GLU 13 HA GLU 13 14.161 16.853 3.393 82 HB2 GLU 13 2HB GLU 13 14.214 14.679 2.005 83 HB3 GLU 13 1HB GLU 13 12.811 14.201 2.953 84 HG2 GLU 13 2HG GLU 13 12.203 15.049 0.738 85 HG3 GLU 13 1HG GLU 13 11.499 15.979 2.058 86 H THR 14 H THR 14 11.935 17.589 3.645 87 HA THR 14 HA THR 14 11.219 17.561 6.367 88 HB THR 14 HB THR 14 9.735 18.801 4.042 89 HG1 THR 14 1HG THR 14 11.899 19.677 5.663 90 HG21 THR 14 3HG2 THR 14 8.439 18.736 6.145 91 HG22 THR 14 1HG2 THR 14 8.918 20.386 5.747 92 HG23 THR 14 2HG2 THR 14 9.785 19.492 6.995 93 H TPO 15 H TPO 15 9.735 16.460 7.434 94 HA TPO 15 HA TPO 15 7.583 15.085 6.010 95 HB TPO 15 HB TPO 15 8.653 14.745 8.859 96 HG21 TPO 15 1HG2 TPO 15 6.992 12.954 9.134 97 HG22 TPO 15 2HG2 TPO 15 6.320 13.326 7.547 98 HG23 TPO 15 3HG2 TPO 15 6.198 14.504 8.853 99 H SER 16 H SER 16 5.554 15.898 6.289 100 HA SER 16 HA SER 16 5.590 18.579 7.433 101 HB2 SER 16 2HB SER 16 3.743 17.353 5.396 102 HB3 SER 16 1HB SER 16 3.845 19.055 5.845 103 HG SER 16 HG SER 16 5.822 17.465 4.586 104 H VAL 17 H VAL 17 3.878 19.296 8.676 105 HA VAL 17 HA VAL 17 2.213 17.291 9.948 106 HB VAL 17 HB VAL 17 2.269 20.313 10.300 107 HG11 VAL 17 1HG1 VAL 17 1.035 18.158 12.008 108 HG12 VAL 17 2HG1 VAL 17 0.170 19.328 11.010 109 HG13 VAL 17 3HG1 VAL 17 1.094 19.873 12.411 110 HG21 VAL 17 3HG2 VAL 17 4.417 19.348 10.936 111 HG22 VAL 17 1HG2 VAL 17 3.593 18.191 11.980 112 HG23 VAL 17 2HG2 VAL 17 3.537 19.912 12.356 113 H PHE 18 H PHE 18 0.363 16.795 8.984 114 HA PHE 18 HA PHE 18 -0.336 18.237 6.598 115 HB2 PHE 18 2HB PHE 18 -0.248 15.712 6.828 116 HB3 PHE 18 1HB PHE 18 -1.723 15.832 7.773 117 HD1 PHE 18 1HD PHE 18 -0.265 16.597 4.462 118 HD2 PHE 18 2HD PHE 18 -3.811 15.882 6.701 119 HE1 PHE 18 1HE PHE 18 -1.546 16.498 2.374 120 HE2 PHE 18 2HE PHE 18 -5.108 15.786 4.614 121 HZ PHE 18 HZ PHE 18 -3.981 16.092 2.445 122 H ARG 19 H ARG 19 -1.577 19.915 6.672 123 HA ARG 19 HA ARG 19 -3.786 20.041 8.601 124 HB2 ARG 19 2HB ARG 19 -2.349 22.301 7.178 125 HB3 ARG 19 1HB ARG 19 -3.696 22.488 8.286 126 HG2 ARG 19 2HG ARG 19 -0.970 21.415 8.993 127 HG3 ARG 19 1HG ARG 19 -1.562 23.039 9.343 128 HD2 ARG 19 2HD ARG 19 -2.717 20.461 10.413 129 HD3 ARG 19 1HD ARG 19 -1.699 21.583 11.306 130 HE ARG 19 HE ARG 19 -3.991 22.883 10.258 131 HH11 ARG 19 1HH1 ARG 19 -3.000 20.726 12.898 132 HH12 ARG 19 2HH1 ARG 19 -4.241 21.190 13.947 133 HH21 ARG 19 1HH2 ARG 19 -5.705 23.468 11.639 134 HH22 ARG 19 2HH2 ARG 19 -5.854 22.793 13.216 135 H ALA 20 H ALA 20 -5.739 19.816 7.698 136 HA ALA 20 HA ALA 20 -6.286 20.781 5.053 137 HB1 ALA 20 1HB ALA 20 -6.296 17.811 5.597 138 HB2 ALA 20 2HB ALA 20 -5.192 18.659 4.517 139 HB3 ALA 20 3HB ALA 20 -6.914 18.586 4.141 140 H ASP 21 H ASP 21 -8.556 19.744 4.456 141 HA ASP 21 HA ASP 21 -10.330 20.442 6.614 142 HB2 ASP 21 2HB ASP 21 -12.069 20.291 4.901 143 HB3 ASP 21 1HB ASP 21 -10.725 21.269 4.332 144 H LEU 22 H LEU 22 -8.777 17.756 5.656 145 HA LEU 22 HA LEU 22 -10.828 15.802 6.143 146 HB2 LEU 22 2HB LEU 22 -7.861 15.484 5.745 147 HB3 LEU 22 1HB LEU 22 -8.998 14.158 5.868 148 HG LEU 22 HG LEU 22 -8.951 16.238 3.677 149 HD11 LEU 22 1HD1 LEU 22 -7.079 14.702 3.520 150 HD12 LEU 22 2HD1 LEU 22 -8.251 14.391 2.239 151 HD13 LEU 22 3HD1 LEU 22 -8.178 13.328 3.645 152 HD21 LEU 22 3HD2 LEU 22 -10.695 13.793 4.028 153 HD22 LEU 22 1HD2 LEU 22 -10.628 14.802 2.583 154 HD23 LEU 22 2HD2 LEU 22 -11.226 15.475 4.094 155 H LEU 23 H LEU 23 -9.033 17.730 8.226 156 HA LEU 23 HA LEU 23 -8.413 15.776 10.194 157 HB2 LEU 23 2HB LEU 23 -8.772 18.767 10.533 158 HB3 LEU 23 1HB LEU 23 -8.021 17.665 11.653 159 HG LEU 23 HG LEU 23 -6.945 18.359 8.924 160 HD11 LEU 23 1HD1 LEU 23 -6.782 20.213 10.469 161 HD12 LEU 23 2HD1 LEU 23 -5.193 19.522 10.151 162 HD13 LEU 23 3HD1 LEU 23 -6.019 19.170 11.667 163 HD21 LEU 23 3HD2 LEU 23 -5.758 16.672 11.132 164 HD22 LEU 23 1HD2 LEU 23 -4.937 17.139 9.641 165 HD23 LEU 23 2HD2 LEU 23 -6.345 16.080 9.577 166 H LYS 24 H LYS 24 -11.113 17.863 9.478 167 HA LYS 24 HA LYS 24 -12.702 17.135 11.721 168 HB2 LYS 24 2HB LYS 24 -13.355 18.292 9.025 169 HB3 LYS 24 1HB LYS 24 -14.608 17.927 10.195 170 HG2 LYS 24 2HG LYS 24 -12.286 19.766 10.716 171 HG3 LYS 24 1HG LYS 24 -13.871 20.304 10.159 172 HD2 LYS 24 2HD LYS 24 -13.375 18.775 12.723 173 HD3 LYS 24 1HD LYS 24 -13.532 20.526 12.605 174 HE2 LYS 24 2HE LYS 24 -15.802 20.264 11.710 175 HE3 LYS 24 1HE LYS 24 -15.637 18.519 11.809 176 HZ1 LYS 24 3HZ LYS 24 -16.855 19.552 13.646 177 HZ2 LYS 24 1HZ LYS 24 -15.447 20.292 14.182 178 HZ3 LYS 24 2HZ LYS 24 -15.581 18.590 14.138 179 H GLU 25 H GLU 25 -11.896 15.619 8.783 180 HA GLU 25 HA GLU 25 -14.170 13.886 8.790 181 HB2 GLU 25 2HB GLU 25 -12.882 14.646 6.721 182 HB3 GLU 25 1HB GLU 25 -11.645 13.486 7.198 183 HG2 GLU 25 2HG GLU 25 -13.256 12.642 5.515 184 HG3 GLU 25 1HG GLU 25 -13.168 11.673 6.993 185 H MET 26 H MET 26 -10.891 13.855 9.907 186 HA MET 26 HA MET 26 -10.670 11.133 10.720 187 HB2 MET 26 2HB MET 26 -8.779 12.819 10.600 188 HB3 MET 26 1HB MET 26 -9.419 13.558 12.057 189 HG2 MET 26 2HG MET 26 -9.176 11.223 13.111 190 HG3 MET 26 1HG MET 26 -8.142 10.864 11.734 191 HE1 MET 26 3HE MET 26 -5.354 13.698 12.313 192 HE2 MET 26 1HE MET 26 -6.813 13.819 11.338 193 HE3 MET 26 2HE MET 26 -5.798 12.368 11.252 194 H GLU 27 H GLU 27 -12.541 13.648 11.764 195 HA GLU 27 HA GLU 27 -12.953 12.650 14.470 196 HB2 GLU 27 2HB GLU 27 -12.555 15.033 14.122 197 HB3 GLU 27 1HB GLU 27 -13.912 15.113 13.019 198 HG2 GLU 27 2HG GLU 27 -15.391 14.503 14.912 199 HG3 GLU 27 1HG GLU 27 -13.985 14.630 15.977 200 H SER 28 H SER 28 -14.567 13.115 11.348 201 HA SER 28 HA SER 28 -17.137 12.411 12.453 202 HB2 SER 28 2HB SER 28 -16.422 13.176 9.626 203 HB3 SER 28 1HB SER 28 -18.042 13.108 10.329 204 HG SER 28 HG SER 28 -15.979 14.950 10.734 205 H SER 29 H SER 29 -14.942 10.969 9.916 206 HA SER 29 HA SER 29 -16.816 8.768 9.833 207 HB2 SER 29 2HB SER 29 -15.179 7.902 7.994 208 HB3 SER 29 1HB SER 29 -16.237 9.262 7.629 209 HG SER 29 HG SER 29 -14.607 10.634 7.858 210 H THR 30 H THR 30 -13.880 9.538 11.288 211 HA THR 30 HA THR 30 -13.114 6.849 11.812 212 HB THR 30 HB THR 30 -12.256 9.334 13.290 213 HG1 THR 30 1HG THR 30 -10.659 8.595 11.205 214 HG21 THR 30 3HG2 THR 30 -10.144 8.111 13.513 215 HG22 THR 30 1HG2 THR 30 -10.799 6.799 12.535 216 HG23 THR 30 2HG2 THR 30 -11.471 7.122 14.132 217 H GLY 31 H GLY 31 -15.463 6.559 12.466 218 HA2 GLY 31 2HA GLY 31 -15.572 6.531 15.409 219 HA3 GLY 31 1HA GLY 31 -16.961 7.127 14.503 220 H THR 32 H THR 32 -15.413 4.827 12.726 221 HA THR 32 HA THR 32 -17.344 2.784 13.525 222 HB THR 32 HB THR 32 -15.938 3.165 10.865 223 HG1 THR 32 1HG THR 32 -18.300 3.703 10.336 224 HG21 THR 32 3HG2 THR 32 -17.641 1.600 10.021 225 HG22 THR 32 1HG2 THR 32 -18.315 1.455 11.645 226 HG23 THR 32 2HG2 THR 32 -16.689 0.859 11.310 227 H ALA 33 H ALA 33 -16.372 1.098 14.530 228 HA ALA 33 HA ALA 33 -13.548 0.765 14.530 229 HB1 ALA 33 1HB ALA 33 -14.897 0.201 16.490 230 HB2 ALA 33 2HB ALA 33 -14.007 -1.207 15.911 231 HB3 ALA 33 3HB ALA 33 -15.728 -1.049 15.563 232 HA PRO 34 HA PRO 34 -13.502 -1.672 10.723 233 HB2 PRO 34 2HB PRO 34 -10.747 -2.273 11.622 234 HB3 PRO 34 1HB PRO 34 -11.298 -1.566 10.101 235 HG2 PRO 34 2HG PRO 34 -10.077 -0.072 11.934 236 HG3 PRO 34 1HG PRO 34 -11.425 0.566 10.975 237 HD2 PRO 34 2HD PRO 34 -11.405 -0.428 13.798 238 HD3 PRO 34 1HD PRO 34 -12.222 0.987 13.093 239 H ALA 35 H ALA 35 -13.445 -3.869 10.235 240 HA ALA 35 HA ALA 35 -13.675 -5.602 12.572 241 HB1 ALA 35 1HB ALA 35 -14.908 -7.106 11.069 242 HB2 ALA 35 2HB ALA 35 -14.632 -5.986 9.733 243 HB3 ALA 35 3HB ALA 35 -15.626 -5.496 11.103 244 H SER 36 H SER 36 -12.447 -7.456 12.724 245 HA SER 36 HA SER 36 -10.004 -7.432 11.208 246 HB2 SER 36 2HB SER 36 -10.965 -9.320 13.365 247 HB3 SER 36 1HB SER 36 -9.324 -9.257 12.709 248 HG SER 36 HG SER 36 -10.573 -6.987 13.820 249 H THR 37 H THR 37 -9.780 -8.416 9.343 250 HA THR 37 HA THR 37 -11.775 -10.251 8.429 251 HB THR 37 HB THR 37 -10.340 -10.156 6.321 252 HG1 THR 37 1HG THR 37 -8.973 -8.133 6.497 253 HG21 THR 37 3HG2 THR 37 -11.069 -7.867 5.762 254 HG22 THR 37 1HG2 THR 37 -11.365 -7.547 7.470 255 HG23 THR 37 2HG2 THR 37 -12.340 -8.743 6.614 256 H GLY 38 H GLY 38 -8.319 -10.257 8.898 257 HA2 GLY 38 2HA GLY 38 -7.486 -12.194 10.239 258 HA3 GLY 38 1HA GLY 38 -8.447 -13.192 9.159 259 H ALA 39 H ALA 39 -5.432 -12.031 9.750 260 HA ALA 39 HA ALA 39 -4.599 -12.190 6.973 261 HB1 ALA 39 1HB ALA 39 -2.989 -11.579 9.458 262 HB2 ALA 39 2HB ALA 39 -3.654 -10.391 8.336 263 HB3 ALA 39 3HB ALA 39 -2.390 -11.498 7.801 264 H GLU 40 H GLU 40 -5.268 -14.274 9.372 265 HA GLU 40 HA GLU 40 -2.894 -15.795 9.728 266 HB2 GLU 40 2HB GLU 40 -4.134 -17.204 11.174 267 HB3 GLU 40 1HB GLU 40 -4.723 -15.574 11.426 268 HG2 GLU 40 2HG GLU 40 -6.116 -17.718 9.815 269 HG3 GLU 40 1HG GLU 40 -6.513 -17.250 11.461 270 H ASN 41 H ASN 41 -4.903 -15.832 7.107 271 HA ASN 41 HA ASN 41 -4.720 -18.711 6.683 272 HB2 ASN 41 2HB ASN 41 -6.017 -16.541 5.060 273 HB3 ASN 41 1HB ASN 41 -5.734 -18.124 4.367 274 HD21 ASN 41 1HD2 ASN 41 -6.799 -17.324 7.677 275 HD22 ASN 41 2HD2 ASN 41 -8.319 -18.110 7.521 276 H LEU 42 H LEU 42 -3.174 -15.795 5.702 277 HA LEU 42 HA LEU 42 -1.646 -15.258 4.101 278 HB2 LEU 42 2HB LEU 42 -0.630 -17.857 5.170 279 HB3 LEU 42 1HB LEU 42 0.317 -16.946 4.000 280 HG LEU 42 HG LEU 42 1.255 -16.519 6.103 281 HD11 LEU 42 1HD1 LEU 42 0.920 -14.154 6.523 282 HD12 LEU 42 2HD1 LEU 42 -0.527 -14.180 5.526 283 HD13 LEU 42 3HD1 LEU 42 1.048 -14.520 4.802 284 HD21 LEU 42 3HD2 LEU 42 -0.518 -17.383 7.528 285 HD22 LEU 42 1HD2 LEU 42 -1.502 -15.958 7.196 286 HD23 LEU 42 2HD2 LEU 42 0.008 -15.795 8.093 287 HA PRO 43 HA PRO 43 -4.309 -17.628 0.975 288 HB2 PRO 43 2HB PRO 43 -3.596 -15.541 -0.861 289 HB3 PRO 43 1HB PRO 43 -5.159 -15.835 -0.103 290 HG2 PRO 43 2HG PRO 43 -2.995 -13.983 0.698 291 HG3 PRO 43 1HG PRO 43 -4.740 -13.887 0.994 292 HD2 PRO 43 2HD PRO 43 -3.057 -14.451 2.966 293 HD3 PRO 43 1HD PRO 43 -4.619 -15.286 2.849 294 H ALA 44 H ALA 44 -1.470 -15.897 -0.167 295 HA ALA 44 HA ALA 44 -0.414 -18.436 -1.234 296 HB1 ALA 44 1HB ALA 44 -1.389 -17.181 -3.093 297 HB2 ALA 44 2HB ALA 44 0.369 -17.223 -3.232 298 HB3 ALA 44 3HB ALA 44 -0.437 -15.767 -2.648 299 H GLY 45 H GLY 45 -0.051 -16.587 1.083 300 HA2 GLY 45 2HA GLY 45 1.740 -16.009 2.438 301 HA3 GLY 45 1HA GLY 45 2.816 -16.547 1.153 302 H SER 46 H SER 46 1.052 -14.598 -0.567 303 HA SER 46 HA SER 46 2.501 -12.203 0.188 304 HB2 SER 46 2HB SER 46 2.405 -11.708 -2.302 305 HB3 SER 46 1HB SER 46 3.467 -13.031 -1.826 306 HG SER 46 HG SER 46 2.336 -14.306 -2.988 307 H ALA 47 H ALA 47 1.443 -10.238 -0.628 308 HA ALA 47 HA ALA 47 -1.382 -10.298 -1.097 309 HB1 ALA 47 1HB ALA 47 -1.793 -8.734 0.783 310 HB2 ALA 47 2HB ALA 47 -0.136 -8.991 1.327 311 HB3 ALA 47 3HB ALA 47 -1.286 -10.327 1.344 312 H LEU 48 H LEU 48 -2.039 -8.072 -1.786 313 HA LEU 48 HA LEU 48 0.256 -6.463 -2.463 314 HB2 LEU 48 2HB LEU 48 -0.560 -6.090 -4.759 315 HB3 LEU 48 1HB LEU 48 -0.079 -7.733 -4.464 316 HG LEU 48 HG LEU 48 -1.920 -7.761 -5.933 317 HD11 LEU 48 1HD1 LEU 48 -2.011 -9.576 -4.440 318 HD12 LEU 48 2HD1 LEU 48 -3.642 -9.060 -4.859 319 HD13 LEU 48 3HD1 LEU 48 -2.965 -8.642 -3.285 320 HD21 LEU 48 3HD2 LEU 48 -3.484 -6.058 -3.998 321 HD22 LEU 48 1HD2 LEU 48 -4.147 -6.803 -5.455 322 HD23 LEU 48 2HD2 LEU 48 -2.887 -5.577 -5.588 323 H LEU 49 H LEU 49 -0.077 -4.307 -2.662 324 HA LEU 49 HA LEU 49 -2.703 -3.443 -1.738 325 HB2 LEU 49 2HB LEU 49 -1.635 -1.343 -0.935 326 HB3 LEU 49 1HB LEU 49 -1.030 -2.759 -0.126 327 HG LEU 49 HG LEU 49 1.022 -2.571 -1.669 328 HD11 LEU 49 1HD1 LEU 49 1.532 -0.352 -2.540 329 HD12 LEU 49 2HD1 LEU 49 -0.093 0.187 -2.115 330 HD13 LEU 49 3HD1 LEU 49 0.128 -1.063 -3.338 331 HD21 LEU 49 3HD2 LEU 49 1.069 -2.004 0.699 332 HD22 LEU 49 1HD2 LEU 49 0.477 -0.387 0.332 333 HD23 LEU 49 2HD2 LEU 49 2.066 -0.894 -0.237 334 H VAL 50 H VAL 50 -3.772 -1.865 -2.815 335 HA VAL 50 HA VAL 50 -2.583 -1.118 -5.381 336 HB VAL 50 HB VAL 50 -4.291 -2.877 -5.743 337 HG11 VAL 50 1HG1 VAL 50 -6.670 -2.449 -5.353 338 HG12 VAL 50 2HG1 VAL 50 -6.255 -0.940 -4.543 339 HG13 VAL 50 3HG1 VAL 50 -5.742 -2.481 -3.853 340 HG21 VAL 50 3HG2 VAL 50 -3.944 -1.244 -7.509 341 HG22 VAL 50 1HG2 VAL 50 -5.133 -0.166 -6.776 342 HG23 VAL 50 2HG2 VAL 50 -5.640 -1.715 -7.447 343 H VAL 51 H VAL 51 -2.653 0.953 -5.853 344 HA VAL 51 HA VAL 51 -3.713 2.819 -3.895 345 HB VAL 51 HB VAL 51 -2.623 3.445 -6.648 346 HG11 VAL 51 1HG1 VAL 51 -3.779 5.269 -5.499 347 HG12 VAL 51 2HG1 VAL 51 -2.055 5.602 -5.657 348 HG13 VAL 51 3HG1 VAL 51 -2.712 5.074 -4.109 349 HG21 VAL 51 3HG2 VAL 51 -0.962 2.084 -5.498 350 HG22 VAL 51 1HG2 VAL 51 -1.041 3.146 -4.093 351 HG23 VAL 51 2HG2 VAL 51 -0.413 3.754 -5.623 352 H LYS 52 H LYS 52 -5.659 3.440 -3.818 353 HA LYS 52 HA LYS 52 -7.460 2.672 -5.951 354 HB2 LYS 52 2HB LYS 52 -7.995 2.050 -3.656 355 HB3 LYS 52 1HB LYS 52 -7.948 3.732 -3.163 356 HG2 LYS 52 2HG LYS 52 -10.222 2.993 -3.346 357 HG3 LYS 52 1HG LYS 52 -9.895 4.177 -4.614 358 HD2 LYS 52 2HD LYS 52 -9.541 2.320 -6.192 359 HD3 LYS 52 1HD LYS 52 -9.973 1.176 -4.916 360 HE2 LYS 52 2HE LYS 52 -12.184 2.229 -4.750 361 HE3 LYS 52 1HE LYS 52 -11.729 3.354 -6.027 362 HZ1 LYS 52 3HZ LYS 52 -11.437 1.434 -7.509 363 HZ2 LYS 52 1HZ LYS 52 -13.013 1.580 -6.939 364 HZ3 LYS 52 2HZ LYS 52 -11.977 0.415 -6.280 365 H ARG 53 H ARG 53 -6.168 5.506 -4.419 366 HA ARG 53 HA ARG 53 -7.595 7.218 -6.341 367 HB2 ARG 53 2HB ARG 53 -8.810 7.133 -4.093 368 HB3 ARG 53 1HB ARG 53 -7.371 7.826 -3.377 369 HG2 ARG 53 2HG ARG 53 -7.647 9.823 -4.754 370 HG3 ARG 53 1HG ARG 53 -9.122 9.146 -5.451 371 HD2 ARG 53 2HD ARG 53 -10.014 8.989 -3.087 372 HD3 ARG 53 1HD ARG 53 -8.599 9.910 -2.581 373 HE ARG 53 HE ARG 53 -10.415 10.999 -4.600 374 HH11 ARG 53 1HH1 ARG 53 -8.877 11.348 -1.408 375 HH12 ARG 53 2HH1 ARG 53 -9.571 12.855 -1.085 376 HH21 ARG 53 1HH2 ARG 53 -11.391 13.074 -4.089 377 HH22 ARG 53 2HH2 ARG 53 -11.051 13.854 -2.603 378 H GLY 54 H GLY 54 -6.343 9.146 -6.805 379 HA2 GLY 54 2HA GLY 54 -4.522 10.590 -5.980 380 HA3 GLY 54 1HA GLY 54 -3.654 9.111 -5.598 381 HA PRO 55 HA PRO 55 -2.544 10.557 -9.934 382 HB2 PRO 55 2HB PRO 55 0.200 10.707 -8.900 383 HB3 PRO 55 1HB PRO 55 -0.733 11.944 -9.749 384 HG2 PRO 55 2HG PRO 55 -0.136 12.176 -7.133 385 HG3 PRO 55 1HG PRO 55 -1.671 12.765 -7.801 386 HD2 PRO 55 2HD PRO 55 -1.109 10.221 -6.311 387 HD3 PRO 55 1HD PRO 55 -2.454 11.365 -6.116 388 H ASN 56 H ASN 56 -1.015 8.371 -7.620 389 HA ASN 56 HA ASN 56 -0.033 6.672 -9.753 390 HB2 ASN 56 2HB ASN 56 1.106 5.466 -7.884 391 HB3 ASN 56 1HB ASN 56 1.551 7.163 -7.974 392 HD21 ASN 56 1HD2 ASN 56 1.843 5.468 -5.701 393 HD22 ASN 56 2HD2 ASN 56 0.829 6.103 -4.453 394 H ALA 57 H ALA 57 -2.930 7.050 -8.908 395 HA ALA 57 HA ALA 57 -3.852 4.682 -7.663 396 HB1 ALA 57 1HB ALA 57 -5.221 6.719 -7.828 397 HB2 ALA 57 2HB ALA 57 -6.060 5.300 -8.458 398 HB3 ALA 57 3HB ALA 57 -5.353 6.471 -9.569 399 H GLY 58 H GLY 58 -4.524 2.766 -8.449 400 HA2 GLY 58 2HA GLY 58 -5.199 1.294 -10.194 401 HA3 GLY 58 1HA GLY 58 -4.331 2.303 -11.345 402 H ALA 59 H ALA 59 -2.134 2.393 -9.203 403 HA ALA 59 HA ALA 59 -0.663 0.151 -10.271 404 HB1 ALA 59 1HB ALA 59 0.183 2.259 -8.285 405 HB2 ALA 59 2HB ALA 59 0.393 2.354 -10.030 406 HB3 ALA 59 3HB ALA 59 1.246 1.114 -9.106 407 H ARG 60 H ARG 60 -0.048 -1.664 -9.200 408 HA ARG 60 HA ARG 60 -0.794 -1.828 -6.387 409 HB2 ARG 60 2HB ARG 60 -1.359 -4.188 -6.641 410 HB3 ARG 60 1HB ARG 60 -2.357 -3.219 -7.703 411 HG2 ARG 60 2HG ARG 60 -0.971 -3.877 -9.609 412 HG3 ARG 60 1HG ARG 60 0.058 -4.813 -8.523 413 HD2 ARG 60 2HD ARG 60 -1.826 -6.229 -7.911 414 HD3 ARG 60 1HD ARG 60 -2.889 -5.291 -8.952 415 HE ARG 60 HE ARG 60 -1.021 -6.111 -10.676 416 HH11 ARG 60 1HH1 ARG 60 -2.860 -7.953 -8.236 417 HH12 ARG 60 2HH1 ARG 60 -2.922 -9.366 -9.196 418 HH21 ARG 60 1HH2 ARG 60 -1.158 -8.114 -11.940 419 HH22 ARG 60 2HH2 ARG 60 -1.968 -9.462 -11.278 420 H PHE 61 H PHE 61 0.567 -2.953 -5.069 421 HA PHE 61 HA PHE 61 3.153 -3.770 -6.196 422 HB2 PHE 61 2HB PHE 61 2.754 -2.020 -3.758 423 HB3 PHE 61 1HB PHE 61 4.285 -2.710 -4.255 424 HD1 PHE 61 1HD PHE 61 1.780 -0.121 -4.924 425 HD2 PHE 61 2HD PHE 61 5.516 -1.773 -6.131 426 HE1 PHE 61 1HE PHE 61 2.247 1.907 -6.235 427 HE2 PHE 61 2HE PHE 61 5.985 0.250 -7.447 428 HZ PHE 61 HZ PHE 61 4.352 2.095 -7.499 429 H LEU 62 H LEU 62 4.062 -5.487 -5.104 430 HA LEU 62 HA LEU 62 2.240 -6.859 -3.345 431 HB2 LEU 62 2HB LEU 62 3.706 -8.856 -3.718 432 HB3 LEU 62 1HB LEU 62 2.900 -8.236 -5.134 433 HG LEU 62 HG LEU 62 5.132 -7.105 -5.708 434 HD11 LEU 62 1HD1 LEU 62 6.248 -7.315 -3.570 435 HD12 LEU 62 2HD1 LEU 62 7.146 -8.153 -4.837 436 HD13 LEU 62 3HD1 LEU 62 6.182 -9.075 -3.688 437 HD21 LEU 62 3HD2 LEU 62 6.009 -9.144 -6.734 438 HD22 LEU 62 1HD2 LEU 62 4.261 -9.005 -6.923 439 HD23 LEU 62 2HD2 LEU 62 4.934 -10.108 -5.721 440 H LEU 63 H LEU 63 2.682 -7.637 -1.374 441 HA LEU 63 HA LEU 63 5.030 -6.491 -0.062 442 HB2 LEU 63 2HB LEU 63 2.363 -7.270 1.140 443 HB3 LEU 63 1HB LEU 63 3.756 -6.724 2.043 444 HG LEU 63 HG LEU 63 2.200 -4.939 1.960 445 HD11 LEU 63 1HD1 LEU 63 4.476 -4.241 1.759 446 HD12 LEU 63 2HD1 LEU 63 3.418 -3.160 0.854 447 HD13 LEU 63 3HD1 LEU 63 4.388 -4.361 0.002 448 HD21 LEU 63 3HD2 LEU 63 1.312 -3.964 -0.089 449 HD22 LEU 63 1HD2 LEU 63 0.848 -5.658 0.045 450 HD23 LEU 63 2HD2 LEU 63 2.148 -5.187 -1.047 451 H ASP 64 H ASP 64 6.462 -8.033 -0.120 452 HA ASP 64 HA ASP 64 6.269 -10.177 1.673 453 HB2 ASP 64 2HB ASP 64 5.095 -11.315 -0.236 454 HB3 ASP 64 1HB ASP 64 6.502 -11.014 -1.250 455 H GLN 65 H GLN 65 7.732 -8.423 2.063 456 HA GLN 65 HA GLN 65 10.435 -9.181 1.392 457 HB2 GLN 65 2HB GLN 65 10.992 -6.756 0.995 458 HB3 GLN 65 1HB GLN 65 10.078 -7.492 -0.298 459 HG2 GLN 65 2HG GLN 65 8.021 -6.510 0.718 460 HG3 GLN 65 1HG GLN 65 9.063 -5.658 1.843 461 HE21 GLN 65 1HE2 GLN 65 11.139 -5.084 -0.123 462 HE22 GLN 65 2HE2 GLN 65 10.446 -3.871 -1.149 463 HA PRO 66 HA PRO 66 10.921 -8.315 5.681 464 HB2 PRO 66 2HB PRO 66 13.279 -6.865 5.743 465 HB3 PRO 66 1HB PRO 66 13.184 -8.627 5.677 466 HG2 PRO 66 2HG PRO 66 13.617 -6.669 3.460 467 HG3 PRO 66 1HG PRO 66 14.394 -8.239 3.732 468 HD2 PRO 66 2HD PRO 66 12.453 -7.964 1.926 469 HD3 PRO 66 1HD PRO 66 12.559 -9.423 2.926 470 H THR 67 H THR 67 11.344 -5.529 3.488 471 HA THR 67 HA THR 67 9.791 -3.893 5.286 472 HB THR 67 HB THR 67 12.675 -3.103 4.731 473 HG1 THR 67 1HG THR 67 11.507 -4.547 6.656 474 HG21 THR 67 3HG2 THR 67 10.525 -1.701 6.352 475 HG22 THR 67 1HG2 THR 67 11.159 -1.154 4.799 476 HG23 THR 67 2HG2 THR 67 12.207 -1.190 6.217 477 H THR 68 H THR 68 8.470 -2.787 4.061 478 HA THR 68 HA THR 68 9.201 -1.989 1.346 479 HB THR 68 HB THR 68 6.516 -1.973 2.689 480 HG1 THR 68 1HG THR 68 7.367 -3.990 0.935 481 HG21 THR 68 3HG2 THR 68 5.681 -2.068 0.407 482 HG22 THR 68 1HG2 THR 68 7.338 -2.115 -0.200 483 HG23 THR 68 2HG2 THR 68 6.756 -0.687 0.651 484 H THR 69 H THR 69 9.839 0.186 1.310 485 HA THR 69 HA THR 69 8.923 1.931 3.410 486 HB THR 69 HB THR 69 10.451 3.552 2.080 487 HG1 THR 69 1HG THR 69 12.018 2.273 0.813 488 HG21 THR 69 3HG2 THR 69 11.097 2.501 4.211 489 HG22 THR 69 1HG2 THR 69 12.465 2.574 3.101 490 HG23 THR 69 2HG2 THR 69 11.604 1.053 3.343 491 H ALA 70 H ALA 70 7.308 3.476 3.143 492 HA ALA 70 HA ALA 70 6.424 3.957 0.392 493 HB1 ALA 70 1HB ALA 70 4.753 2.720 1.688 494 HB2 ALA 70 2HB ALA 70 4.183 4.343 1.296 495 HB3 ALA 70 3HB ALA 70 4.771 3.982 2.919 496 H GLY 71 H GLY 71 6.337 6.015 -0.256 497 HA2 GLY 71 2HA GLY 71 5.869 8.268 1.173 498 HA3 GLY 71 1HA GLY 71 7.610 7.990 1.291 499 H ARG 72 H ARG 72 7.881 9.933 0.043 500 HA ARG 72 HA ARG 72 7.055 9.715 -2.734 501 HB2 ARG 72 2HB ARG 72 6.661 11.850 -1.441 502 HB3 ARG 72 1HB ARG 72 8.406 12.038 -1.342 503 HG2 ARG 72 2HG ARG 72 8.527 12.126 -3.797 504 HG3 ARG 72 1HG ARG 72 6.774 11.976 -3.880 505 HD2 ARG 72 2HD ARG 72 6.593 14.075 -2.560 506 HD3 ARG 72 1HD ARG 72 8.349 14.228 -2.649 507 HE ARG 72 HE ARG 72 6.943 13.970 -5.182 508 HH11 ARG 72 1HH1 ARG 72 8.620 16.155 -2.924 509 HH12 ARG 72 2HH1 ARG 72 8.574 17.478 -3.976 510 HH21 ARG 72 1HH2 ARG 72 6.910 15.719 -6.582 511 HH22 ARG 72 2HH2 ARG 72 7.585 17.238 -6.153 512 H HIS 73 H HIS 73 8.542 9.841 -4.390 513 HA HIS 73 HA HIS 73 10.450 9.839 -5.532 514 HB2 HIS 73 2HB HIS 73 12.011 9.874 -2.915 515 HB3 HIS 73 1HB HIS 73 12.705 10.061 -4.520 516 HD1 HIS 73 1HD HIS 73 11.640 12.336 -5.850 517 HD2 HIS 73 2HD HIS 73 11.427 12.166 -1.702 518 HE1 HIS 73 1HE HIS 73 11.233 14.694 -5.068 519 HA PRO 74 HA PRO 74 11.009 5.603 -6.233 520 HB2 PRO 74 2HB PRO 74 13.751 6.013 -7.230 521 HB3 PRO 74 1HB PRO 74 12.318 5.449 -8.089 522 HG2 PRO 74 2HG PRO 74 13.308 7.885 -8.530 523 HG3 PRO 74 1HG PRO 74 11.558 7.603 -8.506 524 HD2 PRO 74 2HD PRO 74 13.326 8.745 -6.376 525 HD3 PRO 74 1HD PRO 74 11.738 9.306 -6.945 526 H GLU 75 H GLU 75 12.942 6.974 -3.894 527 HA GLU 75 HA GLU 75 14.460 4.573 -3.391 528 HB2 GLU 75 2HB GLU 75 15.361 5.812 -1.416 529 HB3 GLU 75 1HB GLU 75 15.635 6.595 -2.957 530 HG2 GLU 75 2HG GLU 75 13.658 8.054 -2.454 531 HG3 GLU 75 1HG GLU 75 13.669 7.360 -0.830 532 H SER 76 H SER 76 11.430 5.700 -2.751 533 HA SER 76 HA SER 76 11.003 4.006 -0.448 534 HB2 SER 76 2HB SER 76 9.044 5.552 -2.181 535 HB3 SER 76 1HB SER 76 8.730 4.872 -0.584 536 HG SER 76 HG SER 76 9.952 7.217 -1.287 537 H ASP 77 H ASP 77 10.116 1.964 -0.706 538 HA ASP 77 HA ASP 77 10.356 0.658 -3.210 539 HB2 ASP 77 2HB ASP 77 10.372 -0.393 -0.829 540 HB3 ASP 77 1HB ASP 77 8.618 -0.399 -0.971 541 H ILE 78 H ILE 78 7.627 1.998 -1.465 542 HA ILE 78 HA ILE 78 5.862 1.537 -3.770 543 HB ILE 78 HB ILE 78 5.118 2.828 -1.118 544 HG12 ILE 78 2HG1 ILE 78 5.890 0.564 -0.655 545 HG13 ILE 78 1HG1 ILE 78 4.149 0.681 -0.424 546 HG21 ILE 78 1HG2 ILE 78 2.815 2.256 -1.759 547 HG22 ILE 78 2HG2 ILE 78 3.412 1.568 -3.267 548 HG23 ILE 78 3HG2 ILE 78 3.589 3.295 -2.958 549 HD11 ILE 78 3HD1 ILE 78 5.574 -0.535 -2.779 550 HD12 ILE 78 1HD1 ILE 78 3.826 -0.379 -2.616 551 HD13 ILE 78 2HD1 ILE 78 4.724 -1.398 -1.496 552 H PHE 79 H PHE 79 5.749 3.161 -5.210 553 HA PHE 79 HA PHE 79 6.918 5.711 -4.499 554 HB2 PHE 79 2HB PHE 79 7.633 4.643 -6.588 555 HB3 PHE 79 1HB PHE 79 5.978 4.672 -7.182 556 HD1 PHE 79 2HD PHE 79 8.834 6.801 -6.191 557 HD2 PHE 79 1HD PHE 79 5.119 6.598 -8.258 558 HE1 PHE 79 2HE PHE 79 9.246 9.025 -7.143 559 HE2 PHE 79 1HE PHE 79 5.530 8.828 -9.213 560 HZ PHE 79 HZ PHE 79 7.594 10.042 -8.652 561 H LEU 80 H LEU 80 5.696 7.265 -3.725 562 HA LEU 80 HA LEU 80 3.013 7.781 -4.881 563 HB2 LEU 80 2HB LEU 80 4.025 8.381 -2.081 564 HB3 LEU 80 1HB LEU 80 2.494 8.900 -2.720 565 HG LEU 80 HG LEU 80 1.879 6.411 -2.837 566 HD11 LEU 80 1HD1 LEU 80 4.133 5.498 -2.618 567 HD12 LEU 80 2HD1 LEU 80 3.068 4.931 -1.331 568 HD13 LEU 80 3HD1 LEU 80 4.255 6.191 -1.001 569 HD21 LEU 80 3HD2 LEU 80 1.281 6.348 -0.493 570 HD22 LEU 80 1HD2 LEU 80 0.988 7.946 -1.180 571 HD23 LEU 80 2HD2 LEU 80 2.403 7.667 -0.160 572 H ASP 81 H ASP 81 2.852 9.834 -5.718 573 HA ASP 81 HA ASP 81 4.867 11.736 -4.846 574 HB2 ASP 81 2HB ASP 81 5.692 10.966 -6.994 575 HB3 ASP 81 1HB ASP 81 4.129 11.283 -7.736 576 H ASP 82 H ASP 82 4.087 13.548 -4.175 577 HA ASP 82 HA ASP 82 1.721 14.707 -5.305 578 HB2 ASP 82 2HB ASP 82 0.793 13.220 -3.520 579 HB3 ASP 82 1HB ASP 82 1.871 13.972 -2.349 580 H VAL 83 H VAL 83 1.424 16.878 -4.075 581 HA VAL 83 HA VAL 83 3.845 18.323 -4.224 582 HB VAL 83 HB VAL 83 1.263 19.177 -2.877 583 HG11 VAL 83 1HG1 VAL 83 1.959 21.452 -3.434 584 HG12 VAL 83 2HG1 VAL 83 3.450 20.826 -4.135 585 HG13 VAL 83 3HG1 VAL 83 3.150 20.648 -2.408 586 HG21 VAL 83 3HG2 VAL 83 0.632 20.166 -5.051 587 HG22 VAL 83 1HG2 VAL 83 0.757 18.407 -5.123 588 HG23 VAL 83 2HG2 VAL 83 2.049 19.408 -5.778 589 H THR 84 H THR 84 2.053 16.779 -1.653 590 HA THR 84 HA THR 84 3.260 17.960 0.575 591 HB THR 84 HB THR 84 2.162 15.148 0.325 592 HG1 THR 84 1HG THR 84 0.564 16.391 -0.363 593 HG21 THR 84 3HG2 THR 84 3.331 15.619 2.457 594 HG22 THR 84 1HG2 THR 84 1.594 15.456 2.712 595 HG23 THR 84 2HG2 THR 84 2.335 17.057 2.685 596 H VAL 85 H VAL 85 5.242 17.821 1.283 597 HA VAL 85 HA VAL 85 7.171 16.055 0.078 598 HB VAL 85 HB VAL 85 7.459 18.214 2.196 599 HG11 VAL 85 1HG1 VAL 85 9.856 18.136 1.705 600 HG12 VAL 85 2HG1 VAL 85 9.586 16.750 0.645 601 HG13 VAL 85 3HG1 VAL 85 9.267 16.615 2.373 602 HG21 VAL 85 3HG2 VAL 85 6.731 19.091 0.052 603 HG22 VAL 85 1HG2 VAL 85 8.057 18.258 -0.757 604 HG23 VAL 85 2HG2 VAL 85 8.400 19.560 0.380 605 H SER 86 H SER 86 7.821 14.160 0.930 606 HA SER 86 HA SER 86 7.815 13.615 3.757 607 HB2 SER 86 2HB SER 86 5.981 12.027 1.924 608 HB3 SER 86 1HB SER 86 6.280 11.693 3.629 609 HG SER 86 HG SER 86 5.527 14.237 3.336 610 H ARG 87 H ARG 87 9.962 12.887 3.712 611 HA ARG 87 HA ARG 87 11.026 11.298 1.635 612 HB2 ARG 87 2HB ARG 87 12.864 10.664 3.279 613 HB3 ARG 87 1HB ARG 87 12.714 12.363 2.915 614 HG2 ARG 87 2HG ARG 87 11.550 12.682 5.068 615 HG3 ARG 87 1HG ARG 87 11.694 10.953 5.383 616 HD2 ARG 87 2HD ARG 87 14.124 11.137 5.394 617 HD3 ARG 87 1HD ARG 87 14.009 12.854 5.000 618 HE ARG 87 HE ARG 87 12.556 12.626 7.282 619 HH11 ARG 87 1HH1 ARG 87 15.924 11.758 6.500 620 HH12 ARG 87 2HH1 ARG 87 16.424 11.925 8.124 621 HH21 ARG 87 1HH2 ARG 87 13.334 12.859 9.477 622 HH22 ARG 87 2HH2 ARG 87 14.991 12.576 9.789 623 H ARG 88 H ARG 88 9.765 10.301 4.806 624 HA ARG 88 HA ARG 88 8.998 7.817 3.567 625 HB2 ARG 88 2HB ARG 88 10.379 7.958 6.284 626 HB3 ARG 88 1HB ARG 88 9.600 6.540 5.612 627 HG2 ARG 88 2HG ARG 88 11.297 6.659 3.729 628 HG3 ARG 88 1HG ARG 88 12.139 7.869 4.692 629 HD2 ARG 88 2HD ARG 88 11.542 5.022 5.523 630 HD3 ARG 88 1HD ARG 88 13.110 5.656 5.041 631 HE ARG 88 HE ARG 88 12.487 7.235 7.096 632 HH11 ARG 88 1HH1 ARG 88 12.492 3.668 6.807 633 HH12 ARG 88 2HH1 ARG 88 12.718 3.404 8.457 634 HH21 ARG 88 1HH2 ARG 88 12.849 6.810 9.402 635 HH22 ARG 88 2HH2 ARG 88 12.928 5.199 9.956 636 H HIS 89 H HIS 89 6.967 7.397 4.074 637 HA HIS 89 HA HIS 89 5.743 9.130 6.079 638 HB2 HIS 89 2HB HIS 89 4.684 9.231 3.878 639 HB3 HIS 89 1HB HIS 89 4.525 7.479 3.843 640 HD2 HIS 89 2HD HIS 89 3.191 10.309 6.265 641 HE1 HIS 89 1HE HIS 89 0.259 7.338 5.703 642 HE2 HIS 89 2HE HIS 89 1.124 9.142 7.201 643 H ALA 90 H ALA 90 5.802 5.771 4.969 644 HA ALA 90 HA ALA 90 5.671 4.863 7.687 645 HB1 ALA 90 1HB ALA 90 3.487 4.162 5.715 646 HB2 ALA 90 2HB ALA 90 3.293 5.157 7.160 647 HB3 ALA 90 3HB ALA 90 3.703 3.449 7.314 648 H GLU 91 H GLU 91 6.163 2.676 7.824 649 HA GLU 91 HA GLU 91 7.192 1.535 5.339 650 HB2 GLU 91 2HB GLU 91 8.980 0.447 6.704 651 HB3 GLU 91 1HB GLU 91 9.117 2.194 6.619 652 HG2 GLU 91 2HG GLU 91 7.959 2.254 8.871 653 HG3 GLU 91 1HG GLU 91 8.181 0.506 8.920 654 H PHE 92 H PHE 92 6.675 -0.487 4.922 655 HA PHE 92 HA PHE 92 4.858 -1.794 6.831 656 HB2 PHE 92 2HB PHE 92 5.203 -2.559 3.912 657 HB3 PHE 92 1HB PHE 92 3.914 -2.989 5.003 658 HD1 PHE 92 1HD PHE 92 2.507 -1.003 5.926 659 HD2 PHE 92 2HD PHE 92 4.838 -0.837 2.385 660 HE1 PHE 92 1HE PHE 92 1.132 0.871 5.110 661 HE2 PHE 92 2HE PHE 92 3.479 1.028 1.564 662 HZ PHE 92 HZ PHE 92 1.620 1.891 2.926 663 H ARG 93 H ARG 93 5.852 -3.294 7.936 664 HA ARG 93 HA ARG 93 8.221 -4.521 6.740 665 HB2 ARG 93 2HB ARG 93 7.547 -4.167 9.677 666 HB3 ARG 93 1HB ARG 93 9.027 -4.861 9.031 667 HG2 ARG 93 2HG ARG 93 9.649 -2.736 8.051 668 HG3 ARG 93 1HG ARG 93 8.125 -2.022 8.566 669 HD2 ARG 93 2HD ARG 93 9.816 -1.308 10.087 670 HD3 ARG 93 1HD ARG 93 8.799 -2.471 10.925 671 HE ARG 93 HE ARG 93 10.946 -3.877 9.860 672 HH11 ARG 93 1HH1 ARG 93 10.463 -1.294 12.248 673 HH12 ARG 93 2HH1 ARG 93 11.835 -1.697 13.161 674 HH21 ARG 93 1HH2 ARG 93 12.838 -4.398 11.113 675 HH22 ARG 93 2HH2 ARG 93 13.216 -3.502 12.522 676 H ILE 94 H ILE 94 8.191 -6.661 6.499 677 HA ILE 94 HA ILE 94 5.839 -7.992 7.581 678 HB ILE 94 HB ILE 94 7.640 -8.807 5.240 679 HG12 ILE 94 2HG1 ILE 94 5.473 -8.767 3.920 680 HG13 ILE 94 1HG1 ILE 94 4.698 -8.068 5.326 681 HG21 ILE 94 1HG2 ILE 94 7.033 -10.788 6.500 682 HG22 ILE 94 2HG2 ILE 94 6.196 -10.769 4.947 683 HG23 ILE 94 3HG2 ILE 94 5.330 -10.343 6.424 684 HD11 ILE 94 3HD1 ILE 94 6.147 -6.091 5.107 685 HD12 ILE 94 1HD1 ILE 94 5.173 -6.375 3.663 686 HD13 ILE 94 2HD1 ILE 94 6.883 -6.811 3.675 687 H ASN 95 H ASN 95 6.224 -9.046 9.288 688 HA ASN 95 HA ASN 95 8.989 -9.782 9.999 689 HB2 ASN 95 2HB ASN 95 8.368 -7.708 11.086 690 HB3 ASN 95 1HB ASN 95 6.860 -8.424 11.633 691 HD21 ASN 95 1HD2 ASN 95 7.259 -7.984 13.715 692 HD22 ASN 95 2HD2 ASN 95 8.433 -8.821 14.680 693 H GLU 96 H GLU 96 9.066 -11.868 10.297 694 HA GLU 96 HA GLU 96 8.595 -14.025 10.801 695 HB2 GLU 96 2HB GLU 96 6.894 -12.725 12.932 696 HB3 GLU 96 1HB GLU 96 7.451 -14.392 12.944 697 HG2 GLU 96 2HG GLU 96 9.756 -13.624 13.059 698 HG3 GLU 96 1HG GLU 96 9.202 -11.951 13.025 699 H GLY 97 H GLY 97 7.006 -12.883 8.767 700 HA2 GLY 97 2HA GLY 97 5.366 -13.781 7.394 701 HA3 GLY 97 1HA GLY 97 4.891 -14.836 8.713 702 H GLU 98 H GLU 98 4.940 -11.811 10.041 703 HA GLU 98 HA GLU 98 2.079 -11.410 9.628 704 HB2 GLU 98 2HB GLU 98 4.005 -10.182 11.601 705 HB3 GLU 98 1HB GLU 98 2.251 -10.066 11.630 706 HG2 GLU 98 2HG GLU 98 3.760 -12.630 11.867 707 HG3 GLU 98 1HG GLU 98 3.271 -11.669 13.252 708 H PHE 99 H PHE 99 1.358 -9.310 9.046 709 HA PHE 99 HA PHE 99 3.402 -7.672 7.713 710 HB2 PHE 99 2HB PHE 99 0.375 -7.645 7.409 711 HB3 PHE 99 1HB PHE 99 1.498 -6.661 6.490 712 HD1 PHE 99 2HD PHE 99 0.177 -10.056 6.985 713 HD2 PHE 99 1HD PHE 99 2.691 -7.574 4.614 714 HE1 PHE 99 2HE PHE 99 0.264 -11.803 5.257 715 HE2 PHE 99 1HE PHE 99 2.780 -9.315 2.882 716 HZ PHE 99 HZ PHE 99 1.566 -11.436 3.200 717 H GLU 100 H GLU 100 4.016 -5.934 8.912 718 HA GLU 100 HA GLU 100 1.978 -4.675 10.579 719 HB2 GLU 100 2HB GLU 100 3.824 -4.109 12.202 720 HB3 GLU 100 1HB GLU 100 3.388 -5.804 12.133 721 HG2 GLU 100 2HG GLU 100 5.360 -6.280 10.800 722 HG3 GLU 100 1HG GLU 100 5.763 -4.567 10.761 723 H VAL 101 H VAL 101 1.824 -2.587 10.476 724 HA VAL 101 HA VAL 101 3.497 -1.153 8.529 725 HB VAL 101 HB VAL 101 0.939 -0.205 9.798 726 HG11 VAL 101 1HG1 VAL 101 0.782 1.301 7.876 727 HG12 VAL 101 2HG1 VAL 101 2.340 0.705 7.304 728 HG13 VAL 101 3HG1 VAL 101 2.236 1.555 8.842 729 HG21 VAL 101 3HG2 VAL 101 0.362 -2.233 8.689 730 HG22 VAL 101 1HG2 VAL 101 1.174 -1.737 7.206 731 HG23 VAL 101 2HG2 VAL 101 -0.268 -0.879 7.748 732 H VAL 102 H VAL 102 4.917 0.204 9.399 733 HA VAL 102 HA VAL 102 4.317 1.187 12.082 734 HB VAL 102 HB VAL 102 7.083 0.859 10.853 735 HG11 VAL 102 1HG1 VAL 102 6.224 1.505 13.656 736 HG12 VAL 102 2HG1 VAL 102 6.970 2.619 12.509 737 HG13 VAL 102 3HG1 VAL 102 7.885 1.244 13.141 738 HG21 VAL 102 3HG2 VAL 102 6.128 -1.350 11.242 739 HG22 VAL 102 1HG2 VAL 102 5.728 -0.896 12.899 740 HG23 VAL 102 2HG2 VAL 102 7.415 -1.029 12.404 741 H ASP 103 H ASP 103 4.010 3.252 12.091 742 HA ASP 103 HA ASP 103 4.569 4.863 9.742 743 HB2 ASP 103 2HB ASP 103 2.353 5.090 10.244 744 HB3 ASP 103 1HB ASP 103 2.601 4.833 11.957 745 H VAL 104 H VAL 104 5.728 6.752 9.897 746 HA VAL 104 HA VAL 104 7.394 6.912 12.301 747 HB VAL 104 HB VAL 104 8.966 8.322 11.034 748 HG11 VAL 104 1HG1 VAL 104 9.326 5.942 11.074 749 HG12 VAL 104 2HG1 VAL 104 9.804 6.598 9.507 750 HG13 VAL 104 3HG1 VAL 104 8.275 5.732 9.676 751 HG21 VAL 104 3HG2 VAL 104 7.133 7.831 8.685 752 HG22 VAL 104 1HG2 VAL 104 8.722 8.589 8.603 753 HG23 VAL 104 2HG2 VAL 104 7.415 9.380 9.479 754 H GLY 105 H GLY 105 4.690 8.440 11.063 755 HA2 GLY 105 2HA GLY 105 4.687 10.375 13.048 756 HA3 GLY 105 1HA GLY 105 5.282 11.115 11.572 757 H SER 106 H SER 106 2.577 9.670 13.163 758 HA SER 106 HA SER 106 0.727 9.535 11.107 759 HB2 SER 106 2HB SER 106 0.190 10.213 14.002 760 HB3 SER 106 1HB SER 106 -0.977 9.565 12.851 761 HG SER 106 HG SER 106 1.259 7.989 12.940 762 H LEU 107 H LEU 107 1.977 12.264 12.688 763 HA LEU 107 HA LEU 107 -0.030 14.121 12.125 764 HB2 LEU 107 2HB LEU 107 1.625 15.940 12.517 765 HB3 LEU 107 1HB LEU 107 1.486 14.795 13.814 766 HG LEU 107 HG LEU 107 3.759 15.594 13.573 767 HD11 LEU 107 1HD1 LEU 107 5.020 13.599 13.564 768 HD12 LEU 107 2HD1 LEU 107 3.750 12.734 12.732 769 HD13 LEU 107 3HD1 LEU 107 3.479 13.321 14.382 770 HD21 LEU 107 3HD2 LEU 107 3.838 16.156 11.223 771 HD22 LEU 107 1HD2 LEU 107 3.753 14.450 10.788 772 HD23 LEU 107 2HD2 LEU 107 5.172 15.078 11.630 773 H ASN 108 H ASN 108 2.108 12.627 9.983 774 HA ASN 108 HA ASN 108 2.073 14.784 8.029 775 HB2 ASN 108 2HB ASN 108 4.021 13.157 8.367 776 HB3 ASN 108 1HB ASN 108 3.000 11.914 7.669 777 HD21 ASN 108 1HD2 ASN 108 2.636 11.956 5.393 778 HD22 ASN 108 2HD2 ASN 108 3.619 12.935 4.354 779 H GLY 109 H GLY 109 -0.081 12.602 9.114 780 HA2 GLY 109 2HA GLY 109 -2.302 12.652 8.226 781 HA3 GLY 109 1HA GLY 109 -1.612 12.817 6.620 782 H THR 110 H THR 110 -0.813 10.449 9.170 783 HA THR 110 HA THR 110 -1.186 8.319 7.245 784 HB THR 110 HB THR 110 -0.576 8.107 10.198 785 HG1 THR 110 1HG THR 110 1.689 8.241 9.445 786 HG21 THR 110 3HG2 THR 110 0.616 6.069 9.492 787 HG22 THR 110 1HG2 THR 110 0.198 6.401 7.809 788 HG23 THR 110 2HG2 THR 110 -1.068 6.006 8.971 789 H TYR 111 H TYR 111 -3.129 7.267 7.038 790 HA TYR 111 HA TYR 111 -4.878 7.044 9.388 791 HB2 TYR 111 2HB TYR 111 -5.754 7.557 6.575 792 HB3 TYR 111 1HB TYR 111 -6.827 7.334 7.946 793 HD1 TYR 111 1HD TYR 111 -7.016 9.185 9.627 794 HD2 TYR 111 2HD TYR 111 -4.792 9.637 6.032 795 HE1 TYR 111 1HE TYR 111 -7.102 11.626 9.877 796 HE2 TYR 111 2HE TYR 111 -4.859 12.079 6.282 797 HH TYR 111 HH TYR 111 -5.727 13.611 9.106 798 H VAL 112 H VAL 112 -5.413 4.927 9.680 799 HA VAL 112 HA VAL 112 -5.555 3.217 7.293 800 HB VAL 112 HB VAL 112 -5.119 2.317 10.178 801 HG11 VAL 112 1HG1 VAL 112 -4.656 0.114 9.206 802 HG12 VAL 112 2HG1 VAL 112 -4.986 0.755 7.598 803 HG13 VAL 112 3HG1 VAL 112 -6.277 0.676 8.796 804 HG21 VAL 112 3HG2 VAL 112 -3.092 2.436 7.938 805 HG22 VAL 112 1HG2 VAL 112 -2.819 1.728 9.530 806 HG23 VAL 112 2HG2 VAL 112 -3.114 3.461 9.372 807 H ASN 113 H ASN 113 -7.605 2.814 6.823 808 HA ASN 113 HA ASN 113 -9.904 2.934 6.863 809 HB2 ASN 113 2HB ASN 113 -9.631 1.898 9.708 810 HB3 ASN 113 1HB ASN 113 -11.079 1.810 8.721 811 HD21 ASN 113 1HD2 ASN 113 -8.121 0.476 9.501 812 HD22 ASN 113 2HD2 ASN 113 -8.139 -0.940 8.548 813 H ARG 114 H ARG 114 -8.732 5.302 7.281 814 HA ARG 114 HA ARG 114 -8.900 7.377 7.962 815 HB2 ARG 114 2HB ARG 114 -11.644 6.459 8.743 816 HB3 ARG 114 1HB ARG 114 -11.114 8.105 9.039 817 HG2 ARG 114 2HG ARG 114 -12.362 8.037 7.052 818 HG3 ARG 114 1HG ARG 114 -10.691 8.349 6.599 819 HD2 ARG 114 2HD ARG 114 -11.668 6.820 5.026 820 HD3 ARG 114 1HD ARG 114 -10.526 5.919 6.019 821 HE ARG 114 HE ARG 114 -12.313 4.818 7.064 822 HH11 ARG 114 1HH1 ARG 114 -13.633 7.248 4.830 823 HH12 ARG 114 2HH1 ARG 114 -15.025 6.354 4.470 824 HH21 ARG 114 1HH2 ARG 114 -14.223 3.613 6.576 825 HH22 ARG 114 2HH2 ARG 114 -15.378 4.190 5.478 826 H GLU 115 H GLU 115 -8.203 5.112 10.067 827 HA GLU 115 HA GLU 115 -8.457 6.835 12.410 828 HB2 GLU 115 2HB GLU 115 -7.493 3.982 12.240 829 HB3 GLU 115 1HB GLU 115 -7.833 4.884 13.701 830 HG2 GLU 115 2HG GLU 115 -10.217 4.973 13.025 831 HG3 GLU 115 1HG GLU 115 -9.824 3.929 11.656 832 HA PRO 116 HA PRO 116 -4.091 7.814 11.799 833 HB2 PRO 116 2HB PRO 116 -3.690 8.770 14.381 834 HB3 PRO 116 1HB PRO 116 -4.269 9.756 13.036 835 HG2 PRO 116 2HG PRO 116 -5.799 8.491 15.255 836 HG3 PRO 116 1HG PRO 116 -6.076 10.035 14.438 837 HD2 PRO 116 2HD PRO 116 -7.558 7.829 13.955 838 HD3 PRO 116 1HD PRO 116 -7.241 9.058 12.713 839 H ARG 117 H ARG 117 -2.280 6.536 12.241 840 HA ARG 117 HA ARG 117 -2.420 4.726 14.480 841 HB2 ARG 117 2HB ARG 117 -3.800 3.812 12.550 842 HB3 ARG 117 1HB ARG 117 -2.287 3.636 11.684 843 HG2 ARG 117 2HG ARG 117 -3.018 1.567 12.683 844 HG3 ARG 117 1HG ARG 117 -1.480 2.096 13.375 845 HD2 ARG 117 2HD ARG 117 -3.102 1.212 15.048 846 HD3 ARG 117 1HD ARG 117 -2.597 2.866 15.364 847 HE ARG 117 HE ARG 117 -4.684 3.634 14.784 848 HH11 ARG 117 1HH1 ARG 117 -4.577 0.095 14.281 849 HH12 ARG 117 2HH1 ARG 117 -6.227 -0.123 14.533 850 HH21 ARG 117 1HH2 ARG 117 -7.016 3.285 15.124 851 HH22 ARG 117 2HH2 ARG 117 -7.655 1.730 14.937 852 H ASN 118 H ASN 118 -0.435 4.272 15.152 853 HA ASN 118 HA ASN 118 1.826 5.343 13.624 854 HB2 ASN 118 2HB ASN 118 1.321 5.949 16.056 855 HB3 ASN 118 1HB ASN 118 1.865 4.331 16.450 856 HD21 ASN 118 1HD2 ASN 118 3.268 6.497 13.967 857 HD22 ASN 118 2HD2 ASN 118 4.781 6.606 14.747 858 H ALA 119 H ALA 119 0.577 2.450 15.072 859 HA ALA 119 HA ALA 119 2.396 0.824 13.490 860 HB1 ALA 119 1HB ALA 119 2.661 -0.743 15.388 861 HB2 ALA 119 2HB ALA 119 1.789 0.383 16.429 862 HB3 ALA 119 3HB ALA 119 3.353 0.837 15.755 863 H GLN 120 H GLN 120 1.316 -0.840 12.600 864 HA GLN 120 HA GLN 120 -1.412 -1.432 13.519 865 HB2 GLN 120 2HB GLN 120 -1.710 0.347 11.871 866 HB3 GLN 120 1HB GLN 120 -0.728 -0.527 10.719 867 HG2 GLN 120 2HG GLN 120 -2.993 -0.825 10.096 868 HG3 GLN 120 1HG GLN 120 -2.389 -2.354 10.721 869 HE21 GLN 120 1HE2 GLN 120 -5.041 -1.727 10.478 870 HE22 GLN 120 2HE2 GLN 120 -5.771 -1.671 12.028 871 H VAL 121 H VAL 121 -2.093 -3.487 13.037 872 HA VAL 121 HA VAL 121 -0.162 -5.198 11.660 873 HB VAL 121 HB VAL 121 -2.701 -5.982 13.171 874 HG11 VAL 121 1HG1 VAL 121 -1.869 -8.279 12.968 875 HG12 VAL 121 2HG1 VAL 121 -0.510 -7.709 12.000 876 HG13 VAL 121 3HG1 VAL 121 -2.157 -7.565 11.380 877 HG21 VAL 121 3HG2 VAL 121 -0.976 -5.161 14.678 878 HG22 VAL 121 1HG2 VAL 121 0.197 -6.265 13.958 879 HG23 VAL 121 2HG2 VAL 121 -1.176 -6.908 14.853 880 H MET 122 H MET 122 -0.516 -5.571 9.603 881 HA MET 122 HA MET 122 -2.865 -4.272 8.490 882 HB2 MET 122 2HB MET 122 -0.656 -3.607 7.722 883 HB3 MET 122 1HB MET 122 -0.323 -5.243 7.204 884 HG2 MET 122 2HG MET 122 -1.903 -5.080 5.441 885 HG3 MET 122 1HG MET 122 -2.530 -3.555 6.065 886 HE1 MET 122 3HE MET 122 1.321 -4.471 5.984 887 HE2 MET 122 1HE MET 122 1.766 -3.945 4.363 888 HE3 MET 122 2HE MET 122 0.687 -5.324 4.574 889 H GLN 123 H GLN 123 -4.461 -5.265 7.550 890 HA GLN 123 HA GLN 123 -4.286 -8.114 6.965 891 HB2 GLN 123 2HB GLN 123 -6.630 -8.301 7.815 892 HB3 GLN 123 1HB GLN 123 -5.440 -7.971 9.067 893 HG2 GLN 123 2HG GLN 123 -6.105 -5.705 9.224 894 HG3 GLN 123 1HG GLN 123 -7.065 -5.823 7.756 895 HE21 GLN 123 1HE2 GLN 123 -8.795 -5.074 8.793 896 HE22 GLN 123 2HE2 GLN 123 -9.789 -5.988 9.867 897 H THR 124 H THR 124 -5.882 -8.797 5.422 898 HA THR 124 HA THR 124 -6.087 -7.073 3.216 899 HB THR 124 HB THR 124 -5.998 -9.535 3.029 900 HG1 THR 124 1HG THR 124 -8.376 -8.515 1.851 901 HG21 THR 124 3HG2 THR 124 -8.848 -9.498 4.047 902 HG22 THR 124 1HG2 THR 124 -7.459 -10.197 4.874 903 HG23 THR 124 2HG2 THR 124 -8.036 -10.906 3.365 904 H GLY 125 H GLY 125 -7.656 -5.706 2.580 905 HA2 GLY 125 2HA GLY 125 -9.924 -4.989 2.441 906 HA3 GLY 125 1HA GLY 125 -10.243 -5.812 3.964 907 H ASP 126 H ASP 126 -7.480 -4.473 4.678 908 HA ASP 126 HA ASP 126 -8.696 -2.131 5.816 909 HB2 ASP 126 2HB ASP 126 -6.141 -3.571 6.262 910 HB3 ASP 126 1HB ASP 126 -6.115 -1.832 6.536 911 H GLU 127 H GLU 127 -8.229 -0.087 5.385 912 HA GLU 127 HA GLU 127 -6.889 0.329 2.822 913 HB2 GLU 127 2HB GLU 127 -8.430 2.210 2.491 914 HB3 GLU 127 1HB GLU 127 -9.289 0.688 2.667 915 HG2 GLU 127 2HG GLU 127 -9.676 1.289 5.067 916 HG3 GLU 127 1HG GLU 127 -8.993 2.874 4.709 917 H ILE 128 H ILE 128 -5.362 1.824 2.749 918 HA ILE 128 HA ILE 128 -4.804 3.284 5.221 919 HB ILE 128 HB ILE 128 -2.835 2.415 3.068 920 HG12 ILE 128 2HG1 ILE 128 -3.249 1.340 5.876 921 HG13 ILE 128 1HG1 ILE 128 -3.724 0.520 4.398 922 HG21 ILE 128 1HG2 ILE 128 -1.111 3.180 4.652 923 HG22 ILE 128 2HG2 ILE 128 -2.369 3.714 5.766 924 HG23 ILE 128 3HG2 ILE 128 -2.187 4.503 4.203 925 HD11 ILE 128 3HD1 ILE 128 -0.924 1.189 5.248 926 HD12 ILE 128 1HD1 ILE 128 -1.366 0.374 3.748 927 HD13 ILE 128 2HD1 ILE 128 -1.680 -0.405 5.300 928 H GLN 129 H GLN 129 -5.126 5.340 5.045 929 HA GLN 129 HA GLN 129 -5.292 6.526 2.373 930 HB2 GLN 129 2HB GLN 129 -7.367 6.479 3.979 931 HB3 GLN 129 1HB GLN 129 -6.505 7.667 4.921 932 HG2 GLN 129 2HG GLN 129 -7.312 8.041 2.048 933 HG3 GLN 129 1HG GLN 129 -8.229 8.607 3.435 934 HE21 GLN 129 1HE2 GLN 129 -7.500 10.444 4.532 935 HE22 GLN 129 2HE2 GLN 129 -6.220 11.412 3.886 936 H ILE 130 H ILE 130 -3.646 7.729 1.878 937 HA ILE 130 HA ILE 130 -1.893 8.649 4.023 938 HB ILE 130 HB ILE 130 -1.227 7.866 1.166 939 HG12 ILE 130 2HG1 ILE 130 -0.463 6.604 3.818 940 HG13 ILE 130 1HG1 ILE 130 -1.655 5.980 2.689 941 HG21 ILE 130 1HG2 ILE 130 0.158 9.759 1.853 942 HG22 ILE 130 2HG2 ILE 130 1.126 8.287 1.763 943 HG23 ILE 130 3HG2 ILE 130 0.611 8.908 3.331 944 HD11 ILE 130 3HD1 ILE 130 0.078 5.565 1.054 945 HD12 ILE 130 1HD1 ILE 130 0.459 4.770 2.578 946 HD13 ILE 130 2HD1 ILE 130 1.292 6.263 2.129 947 H GLY 131 H GLY 131 -2.450 10.653 4.370 948 HA2 GLY 131 2HA GLY 131 -2.534 12.910 4.046 949 HA3 GLY 131 1HA GLY 131 -1.908 12.654 2.423 950 H LYS 132 H LYS 132 -3.393 12.042 0.800 951 HA LYS 132 HA LYS 132 -6.132 13.039 1.290 952 HB2 LYS 132 2HB LYS 132 -6.100 14.211 -0.834 953 HB3 LYS 132 1HB LYS 132 -4.755 14.754 0.170 954 HG2 LYS 132 2HG LYS 132 -3.267 13.212 -1.091 955 HG3 LYS 132 1HG LYS 132 -4.639 12.825 -2.127 956 HD2 LYS 132 2HD LYS 132 -3.207 14.451 -3.210 957 HD3 LYS 132 1HD LYS 132 -4.760 15.185 -2.808 958 HE2 LYS 132 2HE LYS 132 -3.828 16.338 -0.953 959 HE3 LYS 132 1HE LYS 132 -2.327 15.417 -1.057 960 HZ1 LYS 132 3HZ LYS 132 -1.807 16.435 -3.088 961 HZ2 LYS 132 1HZ LYS 132 -2.151 17.660 -1.970 962 HZ3 LYS 132 2HZ LYS 132 -3.293 17.271 -3.153 963 H PHE 133 H PHE 133 -4.148 10.531 -0.046 964 HA PHE 133 HA PHE 133 -6.458 9.602 -1.480 965 HB2 PHE 133 2HB PHE 133 -4.987 8.612 -3.208 966 HB3 PHE 133 1HB PHE 133 -5.059 10.361 -3.211 967 HD1 PHE 133 2HD PHE 133 -2.961 7.416 -2.625 968 HD2 PHE 133 1HD PHE 133 -3.081 11.664 -2.740 969 HE1 PHE 133 2HE PHE 133 -0.505 7.485 -2.718 970 HE2 PHE 133 1HE PHE 133 -0.639 11.742 -2.838 971 HZ PHE 133 HZ PHE 133 0.659 9.667 -2.835 972 H ARG 134 H ARG 134 -6.629 7.335 -1.815 973 HA ARG 134 HA ARG 134 -5.671 5.994 0.601 974 HB2 ARG 134 2HB ARG 134 -7.841 4.867 0.699 975 HB3 ARG 134 1HB ARG 134 -8.035 6.610 0.726 976 HG2 ARG 134 2HG ARG 134 -8.306 6.222 -1.898 977 HG3 ARG 134 1HG ARG 134 -8.834 4.642 -1.336 978 HD2 ARG 134 2HD ARG 134 -9.995 7.322 -0.562 979 HD3 ARG 134 1HD ARG 134 -10.737 6.098 -1.569 980 HE ARG 134 HE ARG 134 -10.253 4.870 0.826 981 HH11 ARG 134 1HH1 ARG 134 -12.115 7.702 -0.242 982 HH12 ARG 134 2HH1 ARG 134 -13.299 7.563 0.967 983 HH21 ARG 134 1HH2 ARG 134 -11.890 4.667 2.495 984 HH22 ARG 134 2HH2 ARG 134 -13.211 5.768 2.517 985 H LEU 135 H LEU 135 -5.036 3.968 0.552 986 HA LEU 135 HA LEU 135 -4.842 2.559 -2.015 987 HB2 LEU 135 2HB LEU 135 -2.879 2.558 0.314 988 HB3 LEU 135 1HB LEU 135 -2.751 1.541 -1.097 989 HG LEU 135 HG LEU 135 -2.424 3.675 -2.452 990 HD11 LEU 135 1HD1 LEU 135 -1.615 5.652 -1.273 991 HD12 LEU 135 2HD1 LEU 135 -2.044 4.904 0.268 992 HD13 LEU 135 3HD1 LEU 135 -3.302 5.303 -0.900 993 HD21 LEU 135 3HD2 LEU 135 -0.392 2.970 -0.345 994 HD22 LEU 135 1HD2 LEU 135 -0.067 3.887 -1.817 995 HD23 LEU 135 2HD2 LEU 135 -0.585 2.208 -1.925 996 H VAL 136 H VAL 136 -5.429 0.381 -1.872 997 HA VAL 136 HA VAL 136 -6.511 -0.419 0.752 998 HB VAL 136 HB VAL 136 -7.430 -1.466 -1.947 999 HG11 VAL 136 1HG1 VAL 136 -8.677 -1.689 0.793 1000 HG12 VAL 136 2HG1 VAL 136 -7.866 -2.981 -0.088 1001 HG13 VAL 136 3HG1 VAL 136 -9.374 -2.305 -0.706 1002 HG21 VAL 136 3HG2 VAL 136 -9.417 -0.057 -1.711 1003 HG22 VAL 136 1HG2 VAL 136 -7.950 0.917 -1.799 1004 HG23 VAL 136 2HG2 VAL 136 -8.741 0.654 -0.244 1005 H PHE 137 H PHE 137 -5.824 -2.312 1.608 1006 HA PHE 137 HA PHE 137 -3.718 -3.732 0.167 1007 HB2 PHE 137 2HB PHE 137 -3.192 -2.885 2.406 1008 HB3 PHE 137 1HB PHE 137 -4.562 -3.752 3.073 1009 HD1 PHE 137 1HD PHE 137 -1.267 -4.216 1.437 1010 HD2 PHE 137 2HD PHE 137 -4.332 -5.958 3.810 1011 HE1 PHE 137 1HE PHE 137 0.202 -6.124 1.957 1012 HE2 PHE 137 2HE PHE 137 -2.868 -7.857 4.321 1013 HZ PHE 137 HZ PHE 137 -0.600 -7.936 3.395 1014 H LEU 138 H LEU 138 -4.217 -5.596 -0.827 1015 HA LEU 138 HA LEU 138 -6.501 -7.132 0.182 1016 HB2 LEU 138 2HB LEU 138 -5.574 -6.858 -2.688 1017 HB3 LEU 138 1HB LEU 138 -6.759 -8.018 -2.147 1018 HG LEU 138 HG LEU 138 -8.182 -6.002 -1.459 1019 HD11 LEU 138 1HD1 LEU 138 -6.456 -4.306 -1.502 1020 HD12 LEU 138 2HD1 LEU 138 -7.750 -3.920 -2.639 1021 HD13 LEU 138 3HD1 LEU 138 -6.222 -4.577 -3.229 1022 HD21 LEU 138 3HD2 LEU 138 -9.007 -5.675 -3.744 1023 HD22 LEU 138 1HD2 LEU 138 -8.701 -7.376 -3.390 1024 HD23 LEU 138 2HD2 LEU 138 -7.556 -6.458 -4.369 1025 H ALA 139 H ALA 139 -6.069 -9.151 0.717 1026 HA ALA 139 HA ALA 139 -3.392 -10.138 0.210 1027 HB1 ALA 139 1HB ALA 139 -5.646 -11.358 1.815 1028 HB2 ALA 139 2HB ALA 139 -4.276 -10.442 2.463 1029 HB3 ALA 139 3HB ALA 139 -4.007 -11.997 1.693 1030 H GLY 140 H GLY 140 -2.905 -11.709 -1.183 1031 HA2 GLY 140 2HA GLY 140 -4.341 -13.727 -2.181 1032 HA3 GLY 140 1HA GLY 140 -4.784 -12.346 -3.199 1033 HA PRO 141 HA PRO 141 -0.481 -14.063 -4.176 1034 HB2 PRO 141 2HB PRO 141 -1.086 -15.074 -6.662 1035 HB3 PRO 141 1HB PRO 141 -0.842 -16.009 -5.188 1036 HG2 PRO 141 2HG PRO 141 -3.363 -15.255 -6.567 1037 HG3 PRO 141 1HG PRO 141 -3.022 -16.666 -5.558 1038 HD2 PRO 141 2HD PRO 141 -4.475 -14.474 -4.734 1039 HD3 PRO 141 1HD PRO 141 -3.626 -15.586 -3.645 1040 H ALA 142 H ALA 142 0.815 -12.909 -5.231 1041 HA ALA 142 HA ALA 142 -0.111 -11.035 -7.319 1042 HB1 ALA 142 1HB ALA 142 0.597 -9.857 -5.284 1043 HB2 ALA 142 2HB ALA 142 1.759 -9.578 -6.580 1044 HB3 ALA 142 3HB ALA 142 2.131 -10.730 -5.297 1045 H GLU 143 H GLU 143 0.688 -13.749 -7.390 1046 HA GLU 143 HA GLU 143 3.310 -13.812 -8.637 1047 HB2 GLU 143 2HB GLU 143 2.820 -15.416 -6.843 1048 HB3 GLU 143 1HB GLU 143 1.404 -15.968 -7.706 1049 HG2 GLU 143 2HG GLU 143 2.777 -16.926 -9.433 1050 HG3 GLU 143 1HG GLU 143 4.230 -16.251 -8.692 Start of MODEL 9 1 H1 MET 1 1HT MET 1 24.704 21.393 8.278 2 H2 MET 1 2HT MET 1 23.471 20.442 7.653 3 H3 MET 1 3HT MET 1 23.486 20.799 9.286 4 HA MET 1 HA MET 1 21.829 22.116 8.155 5 HB2 MET 1 2HB MET 1 22.487 24.307 8.925 6 HB3 MET 1 1HB MET 1 23.118 23.110 10.048 7 HG2 MET 1 2HG MET 1 25.347 23.329 9.034 8 HG3 MET 1 1HG MET 1 24.705 24.515 7.908 9 HE1 MET 1 2HE MET 1 22.725 26.204 9.845 10 HE2 MET 1 3HE MET 1 23.791 26.883 8.618 11 HE3 MET 1 1HE MET 1 23.830 27.507 10.269 12 H SER 2 H SER 2 23.550 21.017 5.931 13 HA SER 2 HA SER 2 23.859 23.473 4.390 14 HB2 SER 2 2HB SER 2 25.586 21.008 4.239 15 HB3 SER 2 1HB SER 2 25.811 22.519 3.350 16 HG SER 2 HG SER 2 26.037 23.552 5.394 17 H ASP 3 H ASP 3 21.822 23.223 3.356 18 HA ASP 3 HA ASP 3 21.554 20.819 1.775 19 HB2 ASP 3 2HB ASP 3 19.475 21.698 2.758 20 HB3 ASP 3 1HB ASP 3 19.733 23.241 1.953 21 H ASN 4 H ASN 4 23.552 21.280 0.842 22 HA ASN 4 HA ASN 4 23.452 23.188 -1.405 23 HB2 ASN 4 2HB ASN 4 25.834 22.564 0.372 24 HB3 ASN 4 1HB ASN 4 25.899 23.548 -1.069 25 HD21 ASN 4 1HD2 ASN 4 26.663 25.366 -0.052 26 HD22 ASN 4 2HD2 ASN 4 25.750 26.262 1.085 27 H ASN 5 H ASN 5 24.714 22.458 -3.237 28 HA ASN 5 HA ASN 5 25.015 19.596 -3.272 29 HB2 ASN 5 2HB ASN 5 24.132 20.663 -5.317 30 HB3 ASN 5 1HB ASN 5 25.622 21.594 -5.479 31 HD21 ASN 5 1HD2 ASN 5 26.051 20.687 -7.502 32 HD22 ASN 5 2HD2 ASN 5 26.609 19.060 -7.684 33 H GLY 6 H GLY 6 26.471 19.435 -1.741 34 HA2 GLY 6 2HA GLY 6 29.196 19.330 -2.632 35 HA3 GLY 6 1HA GLY 6 28.917 20.431 -1.269 36 H THR 7 H THR 7 27.671 19.598 0.525 37 HA THR 7 HA THR 7 27.948 16.706 0.809 38 HB THR 7 HB THR 7 27.675 18.835 2.961 39 HG1 THR 7 1HG THR 7 29.690 19.146 2.558 40 HG21 THR 7 3HG2 THR 7 28.340 17.013 4.495 41 HG22 THR 7 1HG2 THR 7 28.371 15.889 3.136 42 HG23 THR 7 2HG2 THR 7 26.850 16.620 3.632 43 HA PRO 8 HA PRO 8 23.474 17.404 0.679 44 HB2 PRO 8 2HB PRO 8 22.802 14.895 -0.114 45 HB3 PRO 8 1HB PRO 8 23.320 16.141 -1.249 46 HG2 PRO 8 2HG PRO 8 24.814 13.813 -0.188 47 HG3 PRO 8 1HG PRO 8 24.952 14.618 -1.758 48 HD2 PRO 8 2HD PRO 8 26.676 14.953 0.429 49 HD3 PRO 8 1HD PRO 8 26.572 16.018 -0.986 50 H GLU 9 H GLU 9 22.225 17.168 2.394 51 HA GLU 9 HA GLU 9 22.846 14.987 4.248 52 HB2 GLU 9 2HB GLU 9 21.658 17.702 4.888 53 HB3 GLU 9 1HB GLU 9 22.035 16.437 6.045 54 HG2 GLU 9 2HG GLU 9 24.428 16.668 5.451 55 HG3 GLU 9 1HG GLU 9 23.995 18.017 4.400 56 HA PRO 10 HA PRO 10 18.684 13.433 3.567 57 HB2 PRO 10 2HB PRO 10 18.573 13.489 6.562 58 HB3 PRO 10 1HB PRO 10 18.120 12.186 5.461 59 HG2 PRO 10 2HG PRO 10 20.410 12.073 6.810 60 HG3 PRO 10 1HG PRO 10 20.321 11.518 5.131 61 HD2 PRO 10 2HD PRO 10 21.545 13.989 6.237 62 HD3 PRO 10 1HD PRO 10 22.000 13.044 4.807 63 H GLN 11 H GLN 11 16.724 14.497 3.419 64 HA GLN 11 HA GLN 11 16.964 17.252 4.241 65 HB2 GLN 11 2HB GLN 11 14.753 16.106 2.540 66 HB3 GLN 11 1HB GLN 11 15.208 17.787 2.710 67 HG2 GLN 11 2HG GLN 11 16.061 17.293 0.648 68 HG3 GLN 11 1HG GLN 11 17.465 16.969 1.660 69 HE21 GLN 11 1HE2 GLN 11 14.939 15.594 -0.250 70 HE22 GLN 11 2HE2 GLN 11 15.567 14.001 -0.343 71 H VAL 12 H VAL 12 15.801 18.182 5.674 72 HA VAL 12 HA VAL 12 13.727 16.605 6.991 73 HB VAL 12 HB VAL 12 15.252 19.005 8.064 74 HG11 VAL 12 1HG1 VAL 12 13.384 17.091 9.459 75 HG12 VAL 12 2HG1 VAL 12 13.030 18.763 9.039 76 HG13 VAL 12 3HG1 VAL 12 14.279 18.401 10.232 77 HG21 VAL 12 3HG2 VAL 12 16.431 17.426 9.523 78 HG22 VAL 12 1HG2 VAL 12 16.752 17.096 7.822 79 HG23 VAL 12 2HG2 VAL 12 15.623 16.081 8.721 80 H GLU 13 H GLU 13 11.791 17.249 6.577 81 HA GLU 13 HA GLU 13 11.267 20.014 5.769 82 HB2 GLU 13 2HB GLU 13 10.102 17.435 4.716 83 HB3 GLU 13 1HB GLU 13 9.442 19.021 4.382 84 HG2 GLU 13 2HG GLU 13 12.235 18.204 3.640 85 HG3 GLU 13 1HG GLU 13 10.843 18.006 2.574 86 H THR 14 H THR 14 9.683 20.886 6.997 87 HA THR 14 HA THR 14 8.401 19.248 8.971 88 HB THR 14 HB THR 14 7.760 22.138 8.289 89 HG1 THR 14 1HG THR 14 9.959 22.046 8.740 90 HG21 THR 14 3HG2 THR 14 7.050 22.202 10.653 91 HG22 THR 14 1HG2 THR 14 7.506 20.509 10.831 92 HG23 THR 14 2HG2 THR 14 6.179 20.958 9.763 93 H TPO 15 H TPO 15 6.734 18.036 8.336 94 HA TPO 15 HA TPO 15 5.058 19.089 6.189 95 HB TPO 15 HB TPO 15 5.235 16.188 7.109 96 HG21 TPO 15 1HG2 TPO 15 3.981 17.436 4.659 97 HG22 TPO 15 2HG2 TPO 15 3.093 16.831 6.056 98 HG23 TPO 15 3HG2 TPO 15 4.016 15.717 5.043 99 H SER 16 H SER 16 3.162 19.798 6.745 100 HA SER 16 HA SER 16 2.170 19.263 9.400 101 HB2 SER 16 2HB SER 16 1.225 21.155 7.239 102 HB3 SER 16 1HB SER 16 0.659 21.117 8.911 103 HG SER 16 HG SER 16 2.268 22.295 9.426 104 H VAL 17 H VAL 17 -0.079 18.538 9.666 105 HA VAL 17 HA VAL 17 -0.674 16.488 7.735 106 HB VAL 17 HB VAL 17 -2.147 17.195 10.290 107 HG11 VAL 17 1HG1 VAL 17 -3.526 15.921 8.771 108 HG12 VAL 17 2HG1 VAL 17 -3.049 14.901 10.129 109 HG13 VAL 17 3HG1 VAL 17 -2.246 14.731 8.570 110 HG21 VAL 17 3HG2 VAL 17 -0.952 15.306 11.318 111 HG22 VAL 17 1HG2 VAL 17 0.154 16.576 10.801 112 HG23 VAL 17 2HG2 VAL 17 -0.010 15.108 9.838 113 H PHE 18 H PHE 18 -1.877 16.946 6.064 114 HA PHE 18 HA PHE 18 -3.857 19.055 6.309 115 HB2 PHE 18 2HB PHE 18 -3.939 18.999 3.796 116 HB3 PHE 18 1HB PHE 18 -2.356 19.416 4.428 117 HD1 PHE 18 1HD PHE 18 -0.603 17.498 4.520 118 HD2 PHE 18 2HD PHE 18 -4.177 17.316 2.214 119 HE1 PHE 18 1HE PHE 18 0.394 15.745 3.114 120 HE2 PHE 18 2HE PHE 18 -3.180 15.561 0.813 121 HZ PHE 18 HZ PHE 18 -0.901 14.774 1.261 122 H ARG 19 H ARG 19 -5.705 18.314 7.022 123 HA ARG 19 HA ARG 19 -6.658 15.895 5.799 124 HB2 ARG 19 2HB ARG 19 -7.663 15.210 8.048 125 HB3 ARG 19 1HB ARG 19 -5.941 15.008 7.834 126 HG2 ARG 19 2HG ARG 19 -6.246 15.803 10.030 127 HG3 ARG 19 1HG ARG 19 -5.660 17.186 9.113 128 HD2 ARG 19 2HD ARG 19 -7.468 17.844 10.599 129 HD3 ARG 19 1HD ARG 19 -7.966 18.000 8.911 130 HE ARG 19 HE ARG 19 -8.626 15.576 10.375 131 HH11 ARG 19 1HH1 ARG 19 -9.744 18.519 8.792 132 HH12 ARG 19 2HH1 ARG 19 -11.387 18.126 8.861 133 HH21 ARG 19 1HH2 ARG 19 -10.810 14.970 10.441 134 HH22 ARG 19 2HH2 ARG 19 -12.040 15.973 9.831 135 H ALA 20 H ALA 20 -8.430 15.912 5.010 136 HA ALA 20 HA ALA 20 -10.805 17.213 5.862 137 HB1 ALA 20 1HB ALA 20 -11.106 18.806 3.997 138 HB2 ALA 20 2HB ALA 20 -9.494 18.409 3.401 139 HB3 ALA 20 3HB ALA 20 -9.681 19.236 4.948 140 H ASP 21 H ASP 21 -8.963 16.015 3.360 141 HA ASP 21 HA ASP 21 -10.683 14.903 1.557 142 HB2 ASP 21 2HB ASP 21 -7.980 13.992 2.426 143 HB3 ASP 21 1HB ASP 21 -8.897 13.047 1.262 144 H LEU 22 H LEU 22 -10.385 13.801 4.773 145 HA LEU 22 HA LEU 22 -11.075 11.102 4.467 146 HB2 LEU 22 2HB LEU 22 -11.733 12.984 6.736 147 HB3 LEU 22 1HB LEU 22 -12.091 11.277 6.774 148 HG LEU 22 HG LEU 22 -9.594 10.879 6.525 149 HD11 LEU 22 1HD1 LEU 22 -9.453 13.803 7.210 150 HD12 LEU 22 2HD1 LEU 22 -8.891 13.038 5.721 151 HD13 LEU 22 3HD1 LEU 22 -8.101 12.671 7.252 152 HD21 LEU 22 3HD2 LEU 22 -10.618 12.270 8.992 153 HD22 LEU 22 1HD2 LEU 22 -9.177 11.257 8.913 154 HD23 LEU 22 2HD2 LEU 22 -10.766 10.556 8.615 155 H LEU 23 H LEU 23 -13.110 13.977 4.662 156 HA LEU 23 HA LEU 23 -15.538 12.435 4.504 157 HB2 LEU 23 2HB LEU 23 -15.503 14.611 5.641 158 HB3 LEU 23 1HB LEU 23 -15.070 15.397 4.137 159 HG LEU 23 HG LEU 23 -17.250 14.654 3.184 160 HD11 LEU 23 1HD1 LEU 23 -17.831 13.829 6.021 161 HD12 LEU 23 2HD1 LEU 23 -17.718 12.765 4.614 162 HD13 LEU 23 3HD1 LEU 23 -19.018 13.952 4.725 163 HD21 LEU 23 3HD2 LEU 23 -17.390 16.344 5.666 164 HD22 LEU 23 1HD2 LEU 23 -18.582 16.321 4.369 165 HD23 LEU 23 2HD2 LEU 23 -16.947 16.904 4.052 166 H LYS 24 H LYS 24 -13.456 14.205 2.383 167 HA LYS 24 HA LYS 24 -14.987 14.327 0.031 168 HB2 LYS 24 2HB LYS 24 -12.762 15.462 0.564 169 HB3 LYS 24 1HB LYS 24 -12.001 13.923 0.201 170 HG2 LYS 24 2HG LYS 24 -11.789 15.278 -1.722 171 HG3 LYS 24 1HG LYS 24 -13.024 14.071 -2.078 172 HD2 LYS 24 2HD LYS 24 -14.771 15.697 -1.562 173 HD3 LYS 24 1HD LYS 24 -13.543 16.906 -1.191 174 HE2 LYS 24 2HE LYS 24 -14.361 17.307 -3.409 175 HE3 LYS 24 1HE LYS 24 -12.718 16.683 -3.521 176 HZ1 LYS 24 3HZ LYS 24 -13.654 14.490 -4.044 177 HZ2 LYS 24 1HZ LYS 24 -14.158 15.669 -5.140 178 HZ3 LYS 24 2HZ LYS 24 -15.208 15.131 -3.943 179 H GLU 25 H GLU 25 -12.699 11.957 1.243 180 HA GLU 25 HA GLU 25 -13.051 10.113 -0.852 181 HB2 GLU 25 2HB GLU 25 -10.956 10.010 0.144 182 HB3 GLU 25 1HB GLU 25 -11.598 10.169 1.758 183 HG2 GLU 25 2HG GLU 25 -12.093 7.673 0.194 184 HG3 GLU 25 1HG GLU 25 -10.534 7.940 0.978 185 H MET 26 H MET 26 -14.369 10.359 2.432 186 HA MET 26 HA MET 26 -15.766 7.952 2.521 187 HB2 MET 26 2HB MET 26 -15.517 9.438 4.465 188 HB3 MET 26 1HB MET 26 -16.575 10.618 3.708 189 HG2 MET 26 2HG MET 26 -18.427 9.000 3.814 190 HG3 MET 26 1HG MET 26 -17.360 7.852 4.617 191 HE1 MET 26 3HE MET 26 -16.645 9.650 8.041 192 HE2 MET 26 1HE MET 26 -15.671 9.769 6.575 193 HE3 MET 26 2HE MET 26 -16.353 8.217 7.057 194 H GLU 27 H GLU 27 -16.634 10.996 1.074 195 HA GLU 27 HA GLU 27 -19.307 10.469 0.389 196 HB2 GLU 27 2HB GLU 27 -18.062 12.680 0.356 197 HB3 GLU 27 1HB GLU 27 -17.348 12.163 -1.162 198 HG2 GLU 27 2HG GLU 27 -19.166 13.604 -1.668 199 HG3 GLU 27 1HG GLU 27 -19.657 11.963 -2.086 200 H SER 28 H SER 28 -16.299 9.407 -1.014 201 HA SER 28 HA SER 28 -17.605 8.557 -3.478 202 HB2 SER 28 2HB SER 28 -15.506 9.854 -3.642 203 HB3 SER 28 1HB SER 28 -14.669 8.604 -2.729 204 HG SER 28 HG SER 28 -15.564 7.192 -4.586 205 H SER 29 H SER 29 -15.925 7.260 -0.614 206 HA SER 29 HA SER 29 -15.758 4.631 -1.655 207 HB2 SER 29 2HB SER 29 -15.071 4.094 0.704 208 HB3 SER 29 1HB SER 29 -14.103 5.336 -0.096 209 HG SER 29 HG SER 29 -14.550 6.427 1.619 210 H THR 30 H THR 30 -18.185 6.378 0.069 211 HA THR 30 HA THR 30 -19.540 4.170 1.166 212 HB THR 30 HB THR 30 -20.609 6.896 0.395 213 HG1 THR 30 1HG THR 30 -19.159 7.198 1.961 214 HG21 THR 30 3HG2 THR 30 -21.810 4.776 2.206 215 HG22 THR 30 1HG2 THR 30 -22.445 5.270 0.638 216 HG23 THR 30 2HG2 THR 30 -22.445 6.406 1.987 217 H GLY 31 H GLY 31 -20.385 2.595 0.121 218 HA2 GLY 31 2HA GLY 31 -22.443 2.492 -1.556 219 HA3 GLY 31 1HA GLY 31 -21.088 2.758 -2.658 220 H THR 32 H THR 32 -19.179 1.335 -2.254 221 HA THR 32 HA THR 32 -20.135 -1.325 -1.571 222 HB THR 32 HB THR 32 -18.214 -2.047 -3.148 223 HG1 THR 32 1HG THR 32 -18.101 -0.373 -4.879 224 HG21 THR 32 3HG2 THR 32 -20.715 -0.746 -4.244 225 HG22 THR 32 1HG2 THR 32 -20.594 -2.396 -3.629 226 HG23 THR 32 2HG2 THR 32 -19.721 -1.939 -5.090 227 H ALA 33 H ALA 33 -18.964 -2.558 -0.242 228 HA ALA 33 HA ALA 33 -16.651 -1.326 1.048 229 HB1 ALA 33 1HB ALA 33 -17.101 -2.955 2.855 230 HB2 ALA 33 2HB ALA 33 -18.438 -3.613 1.909 231 HB3 ALA 33 3HB ALA 33 -18.517 -1.961 2.511 232 HA PRO 34 HA PRO 34 -13.831 -4.290 -0.804 233 HB2 PRO 34 2HB PRO 34 -12.772 -4.794 1.937 234 HB3 PRO 34 1HB PRO 34 -11.909 -4.302 0.476 235 HG2 PRO 34 2HG PRO 34 -12.361 -2.540 2.412 236 HG3 PRO 34 1HG PRO 34 -12.516 -2.067 0.710 237 HD2 PRO 34 2HD PRO 34 -14.664 -2.700 2.699 238 HD3 PRO 34 1HD PRO 34 -14.607 -1.427 1.461 239 H ALA 35 H ALA 35 -13.528 -6.535 -1.020 240 HA ALA 35 HA ALA 35 -15.603 -8.084 0.305 241 HB1 ALA 35 1HB ALA 35 -15.198 -9.744 -1.449 242 HB2 ALA 35 2HB ALA 35 -13.858 -8.778 -2.061 243 HB3 ALA 35 3HB ALA 35 -15.504 -8.152 -2.142 244 H SER 36 H SER 36 -15.179 -9.934 1.499 245 HA SER 36 HA SER 36 -12.498 -10.122 2.505 246 HB2 SER 36 2HB SER 36 -13.523 -11.821 4.047 247 HB3 SER 36 1HB SER 36 -14.273 -10.227 4.145 248 HG SER 36 HG SER 36 -15.202 -12.576 2.918 249 H THR 37 H THR 37 -11.256 -10.992 0.946 250 HA THR 37 HA THR 37 -12.131 -13.239 -0.595 251 HB THR 37 HB THR 37 -9.777 -12.935 -1.550 252 HG1 THR 37 1HG THR 37 -9.004 -10.735 -0.980 253 HG21 THR 37 3HG2 THR 37 -11.649 -10.555 -1.576 254 HG22 THR 37 1HG2 THR 37 -11.778 -11.966 -2.626 255 HG23 THR 37 2HG2 THR 37 -10.393 -10.885 -2.770 256 H GLY 38 H GLY 38 -9.911 -14.817 -0.899 257 HA2 GLY 38 2HA GLY 38 -9.829 -16.285 1.586 258 HA3 GLY 38 1HA GLY 38 -9.095 -16.753 0.051 259 H ALA 39 H ALA 39 -8.403 -13.674 0.591 260 HA ALA 39 HA ALA 39 -5.699 -14.066 0.999 261 HB1 ALA 39 1HB ALA 39 -5.629 -11.574 1.101 262 HB2 ALA 39 2HB ALA 39 -7.386 -11.586 1.139 263 HB3 ALA 39 3HB ALA 39 -6.535 -12.213 -0.265 264 H GLU 40 H GLU 40 -8.387 -13.791 3.117 265 HA GLU 40 HA GLU 40 -7.135 -12.655 5.421 266 HB2 GLU 40 2HB GLU 40 -9.176 -13.347 6.607 267 HB3 GLU 40 1HB GLU 40 -9.552 -12.525 5.100 268 HG2 GLU 40 2HG GLU 40 -9.981 -14.676 4.029 269 HG3 GLU 40 1HG GLU 40 -9.585 -15.505 5.532 270 H ASN 41 H ASN 41 -6.690 -15.571 3.980 271 HA ASN 41 HA ASN 41 -6.265 -17.100 6.431 272 HB2 ASN 41 2HB ASN 41 -7.501 -18.183 4.600 273 HB3 ASN 41 1HB ASN 41 -6.178 -17.865 3.496 274 HD21 ASN 41 1HD2 ASN 41 -7.278 -19.780 6.155 275 HD22 ASN 41 2HD2 ASN 41 -6.087 -21.014 6.034 276 H LEU 42 H LEU 42 -4.747 -15.033 4.340 277 HA LEU 42 HA LEU 42 -2.678 -14.514 3.680 278 HB2 LEU 42 2HB LEU 42 -2.003 -16.036 6.155 279 HB3 LEU 42 1HB LEU 42 -0.792 -15.098 5.273 280 HG LEU 42 HG LEU 42 -3.220 -14.068 6.769 281 HD11 LEU 42 1HD1 LEU 42 -1.583 -13.005 8.234 282 HD12 LEU 42 2HD1 LEU 42 -0.276 -13.753 7.316 283 HD13 LEU 42 3HD1 LEU 42 -1.404 -14.760 8.222 284 HD21 LEU 42 3HD2 LEU 42 -2.342 -11.814 6.249 285 HD22 LEU 42 1HD2 LEU 42 -2.845 -12.690 4.800 286 HD23 LEU 42 2HD2 LEU 42 -1.134 -12.560 5.202 287 HA PRO 43 HA PRO 43 -2.471 -18.678 1.756 288 HB2 PRO 43 2HB PRO 43 -2.461 -17.770 -0.832 289 HB3 PRO 43 1HB PRO 43 -3.918 -18.129 0.095 290 HG2 PRO 43 2HG PRO 43 -2.660 -15.504 -0.517 291 HG3 PRO 43 1HG PRO 43 -4.371 -15.929 -0.366 292 HD2 PRO 43 2HD PRO 43 -2.939 -14.629 1.563 293 HD3 PRO 43 1HD PRO 43 -4.373 -15.619 1.891 294 H ALA 44 H ALA 44 -0.751 -15.992 0.219 295 HA ALA 44 HA ALA 44 1.457 -17.803 -0.382 296 HB1 ALA 44 1HB ALA 44 2.286 -16.024 -1.801 297 HB2 ALA 44 2HB ALA 44 0.996 -14.963 -1.234 298 HB3 ALA 44 3HB ALA 44 0.604 -16.413 -2.161 299 H GLY 45 H GLY 45 0.740 -15.333 1.897 300 HA2 GLY 45 2HA GLY 45 2.091 -14.758 3.739 301 HA3 GLY 45 1HA GLY 45 3.460 -15.511 2.925 302 H SER 46 H SER 46 2.172 -13.775 0.596 303 HA SER 46 HA SER 46 3.656 -11.336 1.216 304 HB2 SER 46 2HB SER 46 3.078 -12.597 -1.484 305 HB3 SER 46 1HB SER 46 4.053 -11.154 -1.199 306 HG SER 46 HG SER 46 5.664 -12.464 -1.006 307 H ALA 47 H ALA 47 2.672 -9.412 -0.001 308 HA ALA 47 HA ALA 47 -0.231 -9.654 -0.190 309 HB1 ALA 47 1HB ALA 47 -0.561 -7.744 1.271 310 HB2 ALA 47 2HB ALA 47 1.178 -7.646 1.551 311 HB3 ALA 47 3HB ALA 47 0.273 -9.047 2.120 312 H LEU 48 H LEU 48 -1.231 -7.785 -1.153 313 HA LEU 48 HA LEU 48 0.607 -6.112 -2.608 314 HB2 LEU 48 2HB LEU 48 -0.812 -6.306 -4.666 315 HB3 LEU 48 1HB LEU 48 0.099 -7.736 -4.261 316 HG LEU 48 HG LEU 48 -2.109 -8.649 -3.275 317 HD11 LEU 48 1HD1 LEU 48 -3.280 -6.439 -4.948 318 HD12 LEU 48 2HD1 LEU 48 -3.376 -6.584 -3.192 319 HD13 LEU 48 3HD1 LEU 48 -4.172 -7.774 -4.223 320 HD21 LEU 48 3HD2 LEU 48 -2.887 -9.399 -5.476 321 HD22 LEU 48 1HD2 LEU 48 -1.135 -9.501 -5.314 322 HD23 LEU 48 2HD2 LEU 48 -1.861 -8.189 -6.240 323 H LEU 49 H LEU 49 0.013 -4.070 -2.792 324 HA LEU 49 HA LEU 49 -2.642 -3.460 -1.786 325 HB2 LEU 49 2HB LEU 49 -1.745 -1.273 -0.924 326 HB3 LEU 49 1HB LEU 49 -1.200 -2.687 -0.064 327 HG LEU 49 HG LEU 49 0.986 -2.469 -1.362 328 HD11 LEU 49 1HD1 LEU 49 0.277 -1.033 -3.153 329 HD12 LEU 49 2HD1 LEU 49 1.547 -0.245 -2.207 330 HD13 LEU 49 3HD1 LEU 49 -0.140 0.232 -2.001 331 HD21 LEU 49 3HD2 LEU 49 0.199 -0.245 0.498 332 HD22 LEU 49 1HD2 LEU 49 1.845 -0.749 0.125 333 HD23 LEU 49 2HD2 LEU 49 0.758 -1.848 0.976 334 H VAL 50 H VAL 50 -3.850 -2.080 -2.856 335 HA VAL 50 HA VAL 50 -2.685 -1.155 -5.372 336 HB VAL 50 HB VAL 50 -4.246 -3.011 -5.777 337 HG11 VAL 50 1HG1 VAL 50 -6.349 -1.295 -4.491 338 HG12 VAL 50 2HG1 VAL 50 -5.709 -2.820 -3.879 339 HG13 VAL 50 3HG1 VAL 50 -6.655 -2.795 -5.369 340 HG21 VAL 50 3HG2 VAL 50 -4.049 -1.296 -7.490 341 HG22 VAL 50 1HG2 VAL 50 -5.336 -0.362 -6.726 342 HG23 VAL 50 2HG2 VAL 50 -5.690 -1.937 -7.444 343 H VAL 51 H VAL 51 -2.871 0.905 -5.834 344 HA VAL 51 HA VAL 51 -4.063 2.619 -3.851 345 HB VAL 51 HB VAL 51 -2.830 3.407 -6.512 346 HG11 VAL 51 1HG1 VAL 51 -2.466 5.579 -5.442 347 HG12 VAL 51 2HG1 VAL 51 -3.249 4.990 -3.976 348 HG13 VAL 51 3HG1 VAL 51 -4.180 5.159 -5.464 349 HG21 VAL 51 3HG2 VAL 51 -1.473 3.144 -3.827 350 HG22 VAL 51 1HG2 VAL 51 -0.748 3.825 -5.282 351 HG23 VAL 51 2HG2 VAL 51 -1.204 2.123 -5.237 352 H LYS 52 H LYS 52 -6.038 3.282 -3.898 353 HA LYS 52 HA LYS 52 -7.636 2.800 -6.290 354 HB2 LYS 52 2HB LYS 52 -8.392 1.724 -4.207 355 HB3 LYS 52 1HB LYS 52 -8.515 3.297 -3.440 356 HG2 LYS 52 2HG LYS 52 -10.346 3.934 -4.824 357 HG3 LYS 52 1HG LYS 52 -10.125 2.539 -5.876 358 HD2 LYS 52 2HD LYS 52 -12.036 2.236 -4.361 359 HD3 LYS 52 1HD LYS 52 -10.776 1.046 -4.055 360 HE2 LYS 52 2HE LYS 52 -9.988 2.378 -2.152 361 HE3 LYS 52 1HE LYS 52 -11.253 3.566 -2.461 362 HZ1 LYS 52 3HZ LYS 52 -11.650 1.844 -0.688 363 HZ2 LYS 52 1HZ LYS 52 -11.852 0.722 -1.895 364 HZ3 LYS 52 2HZ LYS 52 -12.914 2.034 -1.784 365 H ARG 53 H ARG 53 -6.494 5.281 -4.197 366 HA ARG 53 HA ARG 53 -7.693 7.251 -6.017 367 HB2 ARG 53 2HB ARG 53 -9.071 7.127 -3.935 368 HB3 ARG 53 1HB ARG 53 -7.633 7.557 -3.015 369 HG2 ARG 53 2HG ARG 53 -7.491 9.657 -4.250 370 HG3 ARG 53 1HG ARG 53 -8.980 9.250 -5.093 371 HD2 ARG 53 2HD ARG 53 -10.071 9.076 -2.829 372 HD3 ARG 53 1HD ARG 53 -8.593 9.769 -2.154 373 HE ARG 53 HE ARG 53 -10.282 11.095 -4.152 374 HH11 ARG 53 1HH1 ARG 53 -8.048 11.394 -1.377 375 HH12 ARG 53 2HH1 ARG 53 -8.434 13.051 -1.169 376 HH21 ARG 53 1HH2 ARG 53 -10.688 13.303 -3.817 377 HH22 ARG 53 2HH2 ARG 53 -9.903 14.144 -2.543 378 H GLY 54 H GLY 54 -6.241 8.623 -6.729 379 HA2 GLY 54 2HA GLY 54 -4.484 10.222 -5.834 380 HA3 GLY 54 1HA GLY 54 -3.628 8.734 -5.425 381 HA PRO 55 HA PRO 55 -2.767 9.974 -9.940 382 HB2 PRO 55 2HB PRO 55 0.004 9.987 -8.844 383 HB3 PRO 55 1HB PRO 55 -0.740 11.078 -10.021 384 HG2 PRO 55 2HG PRO 55 -0.331 11.920 -7.560 385 HG3 PRO 55 1HG PRO 55 -1.867 12.287 -8.371 386 HD2 PRO 55 2HD PRO 55 -1.271 10.167 -6.334 387 HD3 PRO 55 1HD PRO 55 -2.645 11.290 -6.413 388 H ASN 56 H ASN 56 -1.189 7.852 -7.562 389 HA ASN 56 HA ASN 56 -0.318 6.006 -9.606 390 HB2 ASN 56 2HB ASN 56 -0.237 5.799 -6.590 391 HB3 ASN 56 1HB ASN 56 0.573 4.719 -7.717 392 HD21 ASN 56 1HD2 ASN 56 2.363 5.454 -8.803 393 HD22 ASN 56 2HD2 ASN 56 3.249 6.844 -8.306 394 H ALA 57 H ALA 57 -3.289 6.590 -8.690 395 HA ALA 57 HA ALA 57 -4.275 4.168 -7.631 396 HB1 ALA 57 1HB ALA 57 -6.472 4.934 -8.311 397 HB2 ALA 57 2HB ALA 57 -5.732 6.183 -9.315 398 HB3 ALA 57 3HB ALA 57 -5.566 6.250 -7.560 399 H GLY 58 H GLY 58 -4.822 2.345 -8.505 400 HA2 GLY 58 2HA GLY 58 -5.589 1.012 -10.356 401 HA3 GLY 58 1HA GLY 58 -4.712 2.099 -11.432 402 H ALA 59 H ALA 59 -2.439 2.194 -9.543 403 HA ALA 59 HA ALA 59 -1.143 -0.178 -10.547 404 HB1 ALA 59 1HB ALA 59 -0.038 2.155 -8.983 405 HB2 ALA 59 2HB ALA 59 -0.003 1.983 -10.737 406 HB3 ALA 59 3HB ALA 59 0.914 0.868 -9.721 407 H ARG 60 H ARG 60 -0.306 -1.764 -9.295 408 HA ARG 60 HA ARG 60 -0.860 -1.558 -6.474 409 HB2 ARG 60 2HB ARG 60 -1.373 -4.031 -6.390 410 HB3 ARG 60 1HB ARG 60 -2.571 -3.040 -7.178 411 HG2 ARG 60 2HG ARG 60 -2.408 -5.059 -8.405 412 HG3 ARG 60 1HG ARG 60 -1.637 -3.815 -9.376 413 HD2 ARG 60 2HD ARG 60 0.544 -4.615 -8.759 414 HD3 ARG 60 1HD ARG 60 -0.152 -5.748 -7.602 415 HE ARG 60 HE ARG 60 -1.314 -6.609 -9.748 416 HH11 ARG 60 1HH1 ARG 60 2.075 -5.512 -9.551 417 HH12 ARG 60 2HH1 ARG 60 2.633 -6.616 -10.700 418 HH21 ARG 60 1HH2 ARG 60 -0.513 -8.122 -11.315 419 HH22 ARG 60 2HH2 ARG 60 1.127 -8.122 -11.755 420 H PHE 61 H PHE 61 0.558 -2.300 -5.083 421 HA PHE 61 HA PHE 61 3.174 -3.008 -6.227 422 HB2 PHE 61 2HB PHE 61 2.636 -1.377 -3.729 423 HB3 PHE 61 1HB PHE 61 4.209 -1.745 -4.419 424 HD1 PHE 61 2HD PHE 61 4.808 -0.745 -6.668 425 HD2 PHE 61 1HD PHE 61 1.387 0.492 -4.459 426 HE1 PHE 61 2HE PHE 61 4.696 1.317 -7.998 427 HE2 PHE 61 1HE PHE 61 1.270 2.553 -5.789 428 HZ PHE 61 HZ PHE 61 2.925 2.972 -7.558 429 H LEU 62 H LEU 62 4.388 -4.520 -5.015 430 HA LEU 62 HA LEU 62 2.666 -6.017 -3.237 431 HB2 LEU 62 2HB LEU 62 3.866 -8.115 -3.837 432 HB3 LEU 62 1HB LEU 62 2.940 -7.410 -5.126 433 HG LEU 62 HG LEU 62 4.909 -8.431 -6.000 434 HD11 LEU 62 1HD1 LEU 62 5.967 -6.727 -7.272 435 HD12 LEU 62 2HD1 LEU 62 5.359 -5.486 -6.199 436 HD13 LEU 62 3HD1 LEU 62 4.230 -6.442 -7.164 437 HD21 LEU 62 3HD2 LEU 62 6.557 -6.710 -4.160 438 HD22 LEU 62 1HD2 LEU 62 7.201 -7.722 -5.456 439 HD23 LEU 62 2HD2 LEU 62 6.366 -8.461 -4.097 440 H LEU 63 H LEU 63 3.210 -6.666 -1.355 441 HA LEU 63 HA LEU 63 5.726 -5.661 -0.276 442 HB2 LEU 63 2HB LEU 63 3.303 -6.764 1.201 443 HB3 LEU 63 1HB LEU 63 4.702 -6.018 1.927 444 HG LEU 63 HG LEU 63 2.969 -4.474 2.113 445 HD11 LEU 63 1HD1 LEU 63 4.669 -3.592 -0.187 446 HD12 LEU 63 2HD1 LEU 63 5.031 -3.442 1.534 447 HD13 LEU 63 3HD1 LEU 63 3.687 -2.542 0.836 448 HD21 LEU 63 3HD2 LEU 63 2.398 -4.784 -0.833 449 HD22 LEU 63 1HD2 LEU 63 1.596 -3.655 0.258 450 HD23 LEU 63 2HD2 LEU 63 1.400 -5.394 0.488 451 H ASP 64 H ASP 64 7.207 -7.135 -0.612 452 HA ASP 64 HA ASP 64 6.662 -9.926 0.168 453 HB2 ASP 64 2HB ASP 64 6.383 -9.690 -2.270 454 HB3 ASP 64 1HB ASP 64 8.000 -9.026 -2.398 455 H GLN 65 H GLN 65 8.458 -7.277 0.670 456 HA GLN 65 HA GLN 65 10.923 -8.750 1.225 457 HB2 GLN 65 2HB GLN 65 12.024 -6.516 1.292 458 HB3 GLN 65 1HB GLN 65 11.409 -6.909 -0.288 459 HG2 GLN 65 2HG GLN 65 9.391 -5.515 0.288 460 HG3 GLN 65 1HG GLN 65 10.271 -5.006 1.728 461 HE21 GLN 65 1HE2 GLN 65 10.060 -4.798 -1.714 462 HE22 GLN 65 2HE2 GLN 65 11.148 -3.485 -1.885 463 HA PRO 66 HA PRO 66 10.260 -8.521 5.550 464 HB2 PRO 66 2HB PRO 66 12.983 -7.317 5.738 465 HB3 PRO 66 1HB PRO 66 12.303 -8.687 6.620 466 HG2 PRO 66 2HG PRO 66 13.990 -9.113 4.634 467 HG3 PRO 66 1HG PRO 66 12.555 -10.139 4.820 468 HD2 PRO 66 2HD PRO 66 13.065 -7.942 2.863 469 HD3 PRO 66 1HD PRO 66 12.202 -9.480 2.655 470 H THR 67 H THR 67 11.551 -5.585 4.004 471 HA THR 67 HA THR 67 9.805 -4.056 5.762 472 HB THR 67 HB THR 67 12.724 -3.306 5.433 473 HG1 THR 67 1HG THR 67 11.429 -4.963 7.186 474 HG21 THR 67 3HG2 THR 67 11.199 -1.420 5.767 475 HG22 THR 67 1HG2 THR 67 12.203 -1.679 7.193 476 HG23 THR 67 2HG2 THR 67 10.524 -2.217 7.191 477 H THR 68 H THR 68 8.706 -2.733 4.549 478 HA THR 68 HA THR 68 9.856 -1.877 1.943 479 HB THR 68 HB THR 68 6.894 -2.124 2.497 480 HG1 THR 68 1HG THR 68 8.524 -4.076 2.549 481 HG21 THR 68 3HG2 THR 68 8.529 -2.138 -0.055 482 HG22 THR 68 1HG2 THR 68 7.586 -0.775 0.546 483 HG23 THR 68 2HG2 THR 68 6.773 -2.254 0.042 484 H THR 69 H THR 69 10.366 0.268 2.058 485 HA THR 69 HA THR 69 8.950 2.037 3.861 486 HB THR 69 HB THR 69 11.267 2.561 1.976 487 HG1 THR 69 1HG THR 69 11.973 1.200 3.617 488 HG21 THR 69 3HG2 THR 69 10.174 4.261 4.239 489 HG22 THR 69 1HG2 THR 69 10.038 4.628 2.519 490 HG23 THR 69 2HG2 THR 69 11.620 4.617 3.294 491 H ALA 70 H ALA 70 7.378 3.487 3.273 492 HA ALA 70 HA ALA 70 6.835 3.806 0.415 493 HB1 ALA 70 1HB ALA 70 4.463 3.814 0.937 494 HB2 ALA 70 2HB ALA 70 4.827 3.582 2.648 495 HB3 ALA 70 3HB ALA 70 5.227 2.321 1.482 496 H GLY 71 H GLY 71 6.367 5.767 -0.321 497 HA2 GLY 71 2HA GLY 71 5.241 7.935 0.759 498 HA3 GLY 71 1HA GLY 71 6.925 8.066 1.275 499 H ARG 72 H ARG 72 6.999 9.978 -0.097 500 HA ARG 72 HA ARG 72 7.425 9.277 -2.933 501 HB2 ARG 72 2HB ARG 72 5.522 10.843 -2.534 502 HB3 ARG 72 1HB ARG 72 6.609 11.920 -1.681 503 HG2 ARG 72 2HG ARG 72 7.881 12.239 -3.774 504 HG3 ARG 72 1HG ARG 72 6.720 11.203 -4.606 505 HD2 ARG 72 2HD ARG 72 4.908 12.741 -3.969 506 HD3 ARG 72 1HD ARG 72 6.087 13.775 -3.175 507 HE ARG 72 HE ARG 72 6.195 13.213 -6.068 508 HH11 ARG 72 1HH1 ARG 72 5.894 15.576 -3.457 509 HH12 ARG 72 2HH1 ARG 72 6.340 16.915 -4.421 510 HH21 ARG 72 1HH2 ARG 72 6.696 15.023 -7.399 511 HH22 ARG 72 2HH2 ARG 72 6.790 16.592 -6.756 512 H HIS 73 H HIS 73 9.593 9.282 -3.277 513 HA HIS 73 HA HIS 73 11.488 11.162 -2.701 514 HB2 HIS 73 2HB HIS 73 10.684 10.293 -0.256 515 HB3 HIS 73 1HB HIS 73 11.743 8.953 -0.654 516 HD1 HIS 73 1HD HIS 73 13.482 9.586 1.227 517 HD2 HIS 73 2HD HIS 73 12.692 12.601 -1.512 518 HE1 HIS 73 1HE HIS 73 15.202 11.357 1.636 519 HA PRO 74 HA PRO 74 13.339 7.903 -5.254 520 HB2 PRO 74 2HB PRO 74 16.009 8.295 -4.733 521 HB3 PRO 74 1HB PRO 74 15.073 9.282 -5.862 522 HG2 PRO 74 2HG PRO 74 15.780 9.835 -3.005 523 HG3 PRO 74 1HG PRO 74 15.840 10.930 -4.399 524 HD2 PRO 74 2HD PRO 74 13.825 11.045 -2.672 525 HD3 PRO 74 1HD PRO 74 13.534 11.229 -4.417 526 H GLU 75 H GLU 75 13.793 8.111 -1.896 527 HA GLU 75 HA GLU 75 15.233 5.613 -1.705 528 HB2 GLU 75 2HB GLU 75 14.238 7.457 0.456 529 HB3 GLU 75 1HB GLU 75 15.207 6.012 0.721 530 HG2 GLU 75 2HG GLU 75 16.984 6.987 -0.673 531 HG3 GLU 75 1HG GLU 75 16.034 8.466 -0.808 532 H SER 76 H SER 76 11.989 6.523 -1.911 533 HA SER 76 HA SER 76 10.867 4.521 -0.237 534 HB2 SER 76 2HB SER 76 9.680 5.919 -2.640 535 HB3 SER 76 1HB SER 76 8.793 5.106 -1.351 536 HG SER 76 HG SER 76 9.002 7.445 -1.226 537 H ASP 77 H ASP 77 10.354 2.425 -0.769 538 HA ASP 77 HA ASP 77 11.637 1.318 -3.102 539 HB2 ASP 77 2HB ASP 77 11.397 0.131 -0.855 540 HB3 ASP 77 1HB ASP 77 9.703 -0.104 -1.265 541 H ILE 78 H ILE 78 8.391 1.760 -1.904 542 HA ILE 78 HA ILE 78 7.417 1.525 -4.630 543 HB ILE 78 HB ILE 78 5.134 1.256 -3.643 544 HG12 ILE 78 2HG1 ILE 78 6.578 1.064 -0.975 545 HG13 ILE 78 1HG1 ILE 78 5.565 2.414 -1.469 546 HG21 ILE 78 1HG2 ILE 78 6.383 -0.712 -4.258 547 HG22 ILE 78 2HG2 ILE 78 5.460 -1.040 -2.791 548 HG23 ILE 78 3HG2 ILE 78 7.192 -0.730 -2.693 549 HD11 ILE 78 3HD1 ILE 78 4.646 -0.427 -1.066 550 HD12 ILE 78 1HD1 ILE 78 3.628 0.929 -1.551 551 HD13 ILE 78 2HD1 ILE 78 4.382 0.915 0.044 552 H PHE 79 H PHE 79 6.926 3.320 -5.618 553 HA PHE 79 HA PHE 79 7.187 5.757 -4.055 554 HB2 PHE 79 2HB PHE 79 8.814 5.373 -5.839 555 HB3 PHE 79 1HB PHE 79 7.513 5.258 -7.010 556 HD1 PHE 79 2HD PHE 79 9.155 7.581 -4.628 557 HD2 PHE 79 1HD PHE 79 6.750 7.167 -8.108 558 HE1 PHE 79 2HE PHE 79 9.364 9.995 -5.059 559 HE2 PHE 79 1HE PHE 79 6.961 9.576 -8.547 560 HZ PHE 79 HZ PHE 79 8.268 10.993 -7.020 561 H LEU 80 H LEU 80 5.499 6.861 -3.611 562 HA LEU 80 HA LEU 80 3.115 6.920 -5.389 563 HB2 LEU 80 2HB LEU 80 3.461 7.775 -2.497 564 HB3 LEU 80 1HB LEU 80 1.973 7.813 -3.414 565 HG LEU 80 HG LEU 80 3.443 5.316 -2.555 566 HD11 LEU 80 1HD1 LEU 80 0.871 6.533 -1.555 567 HD12 LEU 80 2HD1 LEU 80 2.406 6.480 -0.688 568 HD13 LEU 80 3HD1 LEU 80 1.548 4.983 -1.054 569 HD21 LEU 80 3HD2 LEU 80 0.782 5.644 -3.953 570 HD22 LEU 80 1HD2 LEU 80 1.450 4.125 -3.356 571 HD23 LEU 80 2HD2 LEU 80 2.253 4.989 -4.667 572 H ASP 81 H ASP 81 2.581 8.902 -6.183 573 HA ASP 81 HA ASP 81 4.421 11.081 -5.483 574 HB2 ASP 81 2HB ASP 81 5.148 10.122 -7.597 575 HB3 ASP 81 1HB ASP 81 3.529 10.296 -8.256 576 H ASP 82 H ASP 82 3.543 13.138 -5.500 577 HA ASP 82 HA ASP 82 0.862 13.646 -6.300 578 HB2 ASP 82 2HB ASP 82 0.730 12.329 -4.045 579 HB3 ASP 82 1HB ASP 82 1.398 13.785 -3.322 580 H VAL 83 H VAL 83 0.543 15.878 -4.539 581 HA VAL 83 HA VAL 83 2.543 17.652 -5.658 582 HB VAL 83 HB VAL 83 0.216 18.291 -3.810 583 HG11 VAL 83 1HG1 VAL 83 1.874 20.112 -5.557 584 HG12 VAL 83 2HG1 VAL 83 1.908 20.040 -3.794 585 HG13 VAL 83 3HG1 VAL 83 0.455 20.595 -4.626 586 HG21 VAL 83 3HG2 VAL 83 -0.579 17.290 -5.886 587 HG22 VAL 83 1HG2 VAL 83 0.366 18.444 -6.824 588 HG23 VAL 83 2HG2 VAL 83 -0.981 19.005 -5.836 589 H THR 84 H THR 84 1.642 16.296 -2.574 590 HA THR 84 HA THR 84 3.362 17.946 -1.006 591 HB THR 84 HB THR 84 1.305 17.020 -0.026 592 HG1 THR 84 1HG THR 84 3.089 15.580 1.493 593 HG21 THR 84 3HG2 THR 84 1.137 14.612 0.522 594 HG22 THR 84 1HG2 THR 84 2.618 14.315 -0.382 595 HG23 THR 84 2HG2 THR 84 1.175 14.888 -1.219 596 H VAL 85 H VAL 85 5.226 17.248 0.101 597 HA VAL 85 HA VAL 85 6.630 15.050 -1.232 598 HB VAL 85 HB VAL 85 7.865 17.226 0.497 599 HG11 VAL 85 1HG1 VAL 85 10.015 16.380 -0.369 600 HG12 VAL 85 2HG1 VAL 85 9.154 15.099 -1.220 601 HG13 VAL 85 3HG1 VAL 85 9.138 15.148 0.540 602 HG21 VAL 85 3HG2 VAL 85 8.782 18.135 -1.587 603 HG22 VAL 85 1HG2 VAL 85 7.019 18.147 -1.594 604 HG23 VAL 85 2HG2 VAL 85 7.897 16.916 -2.507 605 H SER 86 H SER 86 6.002 13.312 -0.154 606 HA SER 86 HA SER 86 6.159 13.315 2.747 607 HB2 SER 86 2HB SER 86 5.178 11.160 0.861 608 HB3 SER 86 1HB SER 86 4.897 11.265 2.602 609 HG SER 86 HG SER 86 3.702 13.129 2.259 610 H ARG 87 H ARG 87 8.450 13.355 2.882 611 HA ARG 87 HA ARG 87 10.214 11.894 1.294 612 HB2 ARG 87 2HB ARG 87 11.887 12.252 3.196 613 HB3 ARG 87 1HB ARG 87 11.136 13.694 2.529 614 HG2 ARG 87 2HG ARG 87 9.556 13.711 4.435 615 HG3 ARG 87 1HG ARG 87 10.390 12.307 5.095 616 HD2 ARG 87 2HD ARG 87 12.396 13.579 5.424 617 HD3 ARG 87 1HD ARG 87 11.729 14.953 4.545 618 HE ARG 87 HE ARG 87 9.960 14.871 6.416 619 HH11 ARG 87 1HH1 ARG 87 13.399 14.211 6.945 620 HH12 ARG 87 2HH1 ARG 87 13.421 14.766 8.544 621 HH21 ARG 87 1HH2 ARG 87 10.005 15.759 8.578 622 HH22 ARG 87 2HH2 ARG 87 11.436 15.691 9.493 623 H ARG 88 H ARG 88 8.952 10.976 4.460 624 HA ARG 88 HA ARG 88 8.816 8.258 3.638 625 HB2 ARG 88 2HB ARG 88 10.551 9.016 6.023 626 HB3 ARG 88 1HB ARG 88 9.871 7.419 5.806 627 HG2 ARG 88 2HG ARG 88 11.157 7.306 3.629 628 HG3 ARG 88 1HG ARG 88 11.977 8.781 4.151 629 HD2 ARG 88 2HD ARG 88 11.898 6.167 5.646 630 HD3 ARG 88 1HD ARG 88 13.266 6.774 4.722 631 HE ARG 88 HE ARG 88 13.079 8.728 6.359 632 HH11 ARG 88 1HH1 ARG 88 12.607 5.311 7.143 633 HH12 ARG 88 2HH1 ARG 88 13.002 5.478 8.784 634 HH21 ARG 88 1HH2 ARG 88 13.643 8.967 8.619 635 HH22 ARG 88 2HH2 ARG 88 13.597 7.618 9.648 636 H HIS 89 H HIS 89 6.809 7.818 4.153 637 HA HIS 89 HA HIS 89 5.702 9.310 6.402 638 HB2 HIS 89 2HB HIS 89 4.558 9.484 4.180 639 HB3 HIS 89 1HB HIS 89 4.213 7.764 4.266 640 HD2 HIS 89 2HD HIS 89 3.606 9.307 7.671 641 HE1 HIS 89 1HE HIS 89 -0.071 9.403 5.638 642 HE2 HIS 89 2HE HIS 89 1.082 9.128 7.852 643 H ALA 90 H ALA 90 5.764 5.985 5.045 644 HA ALA 90 HA ALA 90 5.767 4.968 7.741 645 HB1 ALA 90 1HB ALA 90 3.371 5.287 7.323 646 HB2 ALA 90 2HB ALA 90 3.782 3.577 7.433 647 HB3 ALA 90 3HB ALA 90 3.496 4.314 5.856 648 H GLU 91 H GLU 91 6.206 2.704 7.795 649 HA GLU 91 HA GLU 91 6.912 1.579 5.238 650 HB2 GLU 91 2HB GLU 91 8.993 0.590 6.168 651 HB3 GLU 91 1HB GLU 91 9.038 2.339 6.080 652 HG2 GLU 91 2HG GLU 91 8.582 2.440 8.496 653 HG3 GLU 91 1HG GLU 91 8.618 0.676 8.555 654 H PHE 92 H PHE 92 6.870 -0.607 5.130 655 HA PHE 92 HA PHE 92 4.940 -1.832 6.982 656 HB2 PHE 92 2HB PHE 92 5.704 -2.588 4.147 657 HB3 PHE 92 1HB PHE 92 4.478 -3.371 5.121 658 HD1 PHE 92 1HD PHE 92 5.349 -0.151 3.484 659 HD2 PHE 92 2HD PHE 92 2.286 -2.616 5.100 660 HE1 PHE 92 1HE PHE 92 3.646 1.365 2.561 661 HE2 PHE 92 2HE PHE 92 0.588 -1.103 4.187 662 HZ PHE 92 HZ PHE 92 1.268 0.893 2.916 663 H ARG 93 H ARG 93 5.874 -3.210 8.335 664 HA ARG 93 HA ARG 93 8.323 -4.537 7.426 665 HB2 ARG 93 2HB ARG 93 8.401 -3.151 9.561 666 HB3 ARG 93 1HB ARG 93 7.351 -4.374 10.275 667 HG2 ARG 93 2HG ARG 93 9.026 -6.084 9.687 668 HG3 ARG 93 1HG ARG 93 10.062 -4.776 9.113 669 HD2 ARG 93 2HD ARG 93 10.724 -5.432 11.369 670 HD3 ARG 93 1HD ARG 93 10.053 -3.802 11.388 671 HE ARG 93 HE ARG 93 7.925 -5.384 11.992 672 HH11 ARG 93 1HH1 ARG 93 11.175 -5.117 13.412 673 HH12 ARG 93 2HH1 ARG 93 10.648 -5.521 14.968 674 HH21 ARG 93 1HH2 ARG 93 7.252 -5.931 14.067 675 HH22 ARG 93 2HH2 ARG 93 8.350 -6.023 15.379 676 H ILE 94 H ILE 94 8.328 -6.696 7.257 677 HA ILE 94 HA ILE 94 5.792 -8.034 7.913 678 HB ILE 94 HB ILE 94 7.758 -8.893 5.782 679 HG12 ILE 94 2HG1 ILE 94 5.224 -7.248 5.486 680 HG13 ILE 94 1HG1 ILE 94 6.858 -6.713 5.176 681 HG21 ILE 94 1HG2 ILE 94 4.895 -9.674 6.368 682 HG22 ILE 94 2HG2 ILE 94 6.326 -10.668 6.644 683 HG23 ILE 94 3HG2 ILE 94 5.843 -10.245 4.997 684 HD11 ILE 94 3HD1 ILE 94 7.074 -8.272 3.331 685 HD12 ILE 94 1HD1 ILE 94 5.698 -7.199 3.102 686 HD13 ILE 94 2HD1 ILE 94 5.440 -8.864 3.621 687 H ASN 95 H ASN 95 5.929 -9.613 9.349 688 HA ASN 95 HA ASN 95 8.392 -11.143 9.520 689 HB2 ASN 95 2HB ASN 95 8.596 -9.537 11.351 690 HB3 ASN 95 1HB ASN 95 6.984 -9.952 11.927 691 HD21 ASN 95 1HD2 ASN 95 10.308 -10.955 11.753 692 HD22 ASN 95 2HD2 ASN 95 10.180 -12.250 12.882 693 H GLU 96 H GLU 96 7.935 -13.185 9.279 694 HA GLU 96 HA GLU 96 6.864 -15.157 9.118 695 HB2 GLU 96 2HB GLU 96 5.586 -14.182 11.672 696 HB3 GLU 96 1HB GLU 96 5.462 -15.824 11.056 697 HG2 GLU 96 2HG GLU 96 7.873 -16.082 11.205 698 HG3 GLU 96 1HG GLU 96 8.015 -14.431 11.800 699 H GLY 97 H GLY 97 5.757 -13.144 7.578 700 HA2 GLY 97 2HA GLY 97 4.003 -13.175 6.065 701 HA3 GLY 97 1HA GLY 97 3.191 -14.356 7.076 702 H GLU 98 H GLU 98 3.913 -11.960 9.209 703 HA GLU 98 HA GLU 98 1.336 -10.726 8.642 704 HB2 GLU 98 2HB GLU 98 2.848 -10.746 11.265 705 HB3 GLU 98 1HB GLU 98 1.261 -10.031 11.004 706 HG2 GLU 98 2HG GLU 98 0.556 -12.379 10.244 707 HG3 GLU 98 1HG GLU 98 2.041 -12.917 11.015 708 H PHE 99 H PHE 99 1.095 -8.661 8.329 709 HA PHE 99 HA PHE 99 3.550 -7.182 7.698 710 HB2 PHE 99 2HB PHE 99 0.780 -6.544 6.698 711 HB3 PHE 99 1HB PHE 99 2.330 -6.155 5.970 712 HD1 PHE 99 2HD PHE 99 3.584 -7.925 4.740 713 HD2 PHE 99 1HD PHE 99 -0.321 -8.610 6.277 714 HE1 PHE 99 2HE PHE 99 3.376 -9.909 3.311 715 HE2 PHE 99 1HE PHE 99 -0.540 -10.588 4.844 716 HZ PHE 99 HZ PHE 99 1.309 -11.247 3.359 717 H GLU 100 H GLU 100 3.954 -5.460 9.021 718 HA GLU 100 HA GLU 100 1.637 -4.201 10.283 719 HB2 GLU 100 2HB GLU 100 3.048 -3.645 12.204 720 HB3 GLU 100 1HB GLU 100 2.988 -5.382 11.958 721 HG2 GLU 100 2HG GLU 100 5.179 -5.244 10.817 722 HG3 GLU 100 1HG GLU 100 5.238 -3.531 11.228 723 H VAL 101 H VAL 101 1.476 -2.031 10.140 724 HA VAL 101 HA VAL 101 3.473 -0.732 8.423 725 HB VAL 101 HB VAL 101 0.717 0.251 9.200 726 HG11 VAL 101 1HG1 VAL 101 0.939 1.722 7.248 727 HG12 VAL 101 2HG1 VAL 101 2.565 1.099 6.975 728 HG13 VAL 101 3HG1 VAL 101 2.205 2.004 8.444 729 HG21 VAL 101 3HG2 VAL 101 -0.059 -0.503 6.993 730 HG22 VAL 101 1HG2 VAL 101 0.466 -1.846 8.012 731 HG23 VAL 101 2HG2 VAL 101 1.510 -1.258 6.717 732 H VAL 102 H VAL 102 4.820 0.579 9.436 733 HA VAL 102 HA VAL 102 4.008 1.747 12.008 734 HB VAL 102 HB VAL 102 6.828 1.036 11.119 735 HG11 VAL 102 1HG1 VAL 102 7.447 1.454 13.445 736 HG12 VAL 102 2HG1 VAL 102 5.786 1.941 13.794 737 HG13 VAL 102 3HG1 VAL 102 6.768 2.888 12.674 738 HG21 VAL 102 3HG2 VAL 102 5.060 -0.424 13.084 739 HG22 VAL 102 1HG2 VAL 102 6.758 -0.783 12.765 740 HG23 VAL 102 2HG2 VAL 102 5.554 -1.008 11.494 741 H ASP 103 H ASP 103 4.150 3.967 12.060 742 HA ASP 103 HA ASP 103 4.821 5.316 9.616 743 HB2 ASP 103 2HB ASP 103 3.819 7.188 10.474 744 HB3 ASP 103 1HB ASP 103 3.123 6.031 11.596 745 H VAL 104 H VAL 104 6.421 6.746 9.262 746 HA VAL 104 HA VAL 104 8.600 7.011 11.185 747 HB VAL 104 HB VAL 104 10.261 6.777 9.266 748 HG11 VAL 104 1HG1 VAL 104 8.637 4.339 9.975 749 HG12 VAL 104 2HG1 VAL 104 9.996 4.989 10.889 750 HG13 VAL 104 3HG1 VAL 104 10.252 4.314 9.277 751 HG21 VAL 104 3HG2 VAL 104 7.925 5.482 7.859 752 HG22 VAL 104 1HG2 VAL 104 9.584 5.563 7.268 753 HG23 VAL 104 2HG2 VAL 104 8.621 7.041 7.432 754 H GLY 105 H GLY 105 6.399 8.548 10.349 755 HA2 GLY 105 2HA GLY 105 7.226 11.063 10.233 756 HA3 GLY 105 1HA GLY 105 7.371 10.564 8.548 757 H SER 106 H SER 106 5.031 9.983 11.150 758 HA SER 106 HA SER 106 2.735 9.907 9.529 759 HB2 SER 106 2HB SER 106 3.053 8.937 11.861 760 HB3 SER 106 1HB SER 106 2.854 10.566 12.487 761 HG SER 106 HG SER 106 0.893 9.543 12.566 762 H LEU 107 H LEU 107 4.527 12.426 9.692 763 HA LEU 107 HA LEU 107 3.045 14.664 10.527 764 HB2 LEU 107 2HB LEU 107 5.223 14.461 8.464 765 HB3 LEU 107 1HB LEU 107 4.708 15.922 9.279 766 HG LEU 107 HG LEU 107 6.057 13.559 10.583 767 HD11 LEU 107 1HD1 LEU 107 7.550 14.833 9.145 768 HD12 LEU 107 2HD1 LEU 107 7.951 15.058 10.843 769 HD13 LEU 107 3HD1 LEU 107 7.081 16.320 9.968 770 HD21 LEU 107 3HD2 LEU 107 5.275 16.235 11.730 771 HD22 LEU 107 1HD2 LEU 107 6.176 14.973 12.571 772 HD23 LEU 107 2HD2 LEU 107 4.500 14.693 12.099 773 H ASN 108 H ASN 108 2.874 12.674 7.750 774 HA ASN 108 HA ASN 108 1.608 14.682 6.055 775 HB2 ASN 108 2HB ASN 108 2.129 11.733 5.607 776 HB3 ASN 108 1HB ASN 108 1.378 12.796 4.424 777 HD21 ASN 108 1HD2 ASN 108 4.347 11.918 6.031 778 HD22 ASN 108 2HD2 ASN 108 5.377 12.855 5.010 779 H GLY 109 H GLY 109 0.690 12.527 8.456 780 HA2 GLY 109 2HA GLY 109 -1.515 12.390 9.290 781 HA3 GLY 109 1HA GLY 109 -2.107 12.820 7.691 782 H THR 110 H THR 110 -0.850 10.203 9.678 783 HA THR 110 HA THR 110 -1.278 8.275 7.559 784 HB THR 110 HB THR 110 -0.802 7.710 10.486 785 HG1 THR 110 1HG THR 110 1.013 8.655 10.264 786 HG21 THR 110 3HG2 THR 110 -0.016 6.246 7.951 787 HG22 THR 110 1HG2 THR 110 -1.342 5.794 9.022 788 HG23 THR 110 2HG2 THR 110 0.322 5.708 9.595 789 H TYR 111 H TYR 111 -3.235 7.295 7.243 790 HA TYR 111 HA TYR 111 -5.000 7.044 9.509 791 HB2 TYR 111 2HB TYR 111 -5.711 8.234 6.824 792 HB3 TYR 111 1HB TYR 111 -6.936 7.521 7.876 793 HD1 TYR 111 1HD TYR 111 -7.397 8.622 10.050 794 HD2 TYR 111 2HD TYR 111 -4.825 10.400 7.176 795 HE1 TYR 111 1HE TYR 111 -7.631 10.777 11.189 796 HE2 TYR 111 2HE TYR 111 -5.047 12.573 8.318 797 HH TYR 111 HH TYR 111 -6.297 12.879 11.413 798 H VAL 112 H VAL 112 -5.855 5.118 9.621 799 HA VAL 112 HA VAL 112 -5.697 3.385 7.250 800 HB VAL 112 HB VAL 112 -5.409 2.548 10.175 801 HG11 VAL 112 1HG1 VAL 112 -6.570 0.857 8.866 802 HG12 VAL 112 2HG1 VAL 112 -4.953 0.292 9.280 803 HG13 VAL 112 3HG1 VAL 112 -5.292 0.891 7.654 804 HG21 VAL 112 3HG2 VAL 112 -3.367 3.618 9.359 805 HG22 VAL 112 1HG2 VAL 112 -3.343 2.537 7.966 806 HG23 VAL 112 2HG2 VAL 112 -3.111 1.886 9.587 807 H ASN 113 H ASN 113 -7.704 2.955 6.636 808 HA ASN 113 HA ASN 113 -9.994 2.856 6.563 809 HB2 ASN 113 2HB ASN 113 -9.558 1.716 9.350 810 HB3 ASN 113 1HB ASN 113 -11.079 1.632 8.473 811 HD21 ASN 113 1HD2 ASN 113 -9.193 -0.427 9.465 812 HD22 ASN 113 2HD2 ASN 113 -8.832 -1.451 8.146 813 H ARG 114 H ARG 114 -8.932 5.305 7.202 814 HA ARG 114 HA ARG 114 -9.437 7.363 7.716 815 HB2 ARG 114 2HB ARG 114 -12.168 6.248 8.262 816 HB3 ARG 114 1HB ARG 114 -11.809 7.962 8.409 817 HG2 ARG 114 2HG ARG 114 -11.135 8.056 6.087 818 HG3 ARG 114 1HG ARG 114 -11.387 6.319 5.930 819 HD2 ARG 114 2HD ARG 114 -13.524 8.343 6.580 820 HD3 ARG 114 1HD ARG 114 -13.231 7.649 4.987 821 HE ARG 114 HE ARG 114 -14.017 6.062 7.334 822 HH11 ARG 114 1HH1 ARG 114 -14.129 6.576 3.779 823 HH12 ARG 114 2HH1 ARG 114 -15.389 5.470 3.578 824 HH21 ARG 114 1HH2 ARG 114 -15.678 4.516 6.977 825 HH22 ARG 114 2HH2 ARG 114 -16.269 4.258 5.384 826 H GLU 115 H GLU 115 -8.752 5.308 9.985 827 HA GLU 115 HA GLU 115 -9.104 7.311 12.089 828 HB2 GLU 115 2HB GLU 115 -8.743 4.336 12.230 829 HB3 GLU 115 1HB GLU 115 -8.423 5.351 13.631 830 HG2 GLU 115 2HG GLU 115 -11.040 5.144 12.156 831 HG3 GLU 115 1HG GLU 115 -10.655 4.365 13.693 832 HA PRO 116 HA PRO 116 -4.782 8.059 11.701 833 HB2 PRO 116 2HB PRO 116 -4.431 9.647 13.838 834 HB3 PRO 116 1HB PRO 116 -5.348 10.186 12.427 835 HG2 PRO 116 2HG PRO 116 -6.334 9.190 15.065 836 HG3 PRO 116 1HG PRO 116 -6.957 10.514 14.064 837 HD2 PRO 116 2HD PRO 116 -8.054 7.991 14.156 838 HD3 PRO 116 1HD PRO 116 -8.210 9.117 12.791 839 H ARG 117 H ARG 117 -2.975 6.993 12.320 840 HA ARG 117 HA ARG 117 -2.644 6.130 15.064 841 HB2 ARG 117 2HB ARG 117 -2.550 4.144 12.788 842 HB3 ARG 117 1HB ARG 117 -1.950 3.826 14.397 843 HG2 ARG 117 2HG ARG 117 -4.298 4.183 15.212 844 HG3 ARG 117 1HG ARG 117 -4.763 4.230 13.505 845 HD2 ARG 117 2HD ARG 117 -3.591 2.028 13.239 846 HD3 ARG 117 1HD ARG 117 -3.431 1.984 14.983 847 HE ARG 117 HE ARG 117 -6.111 2.326 13.965 848 HH11 ARG 117 1HH1 ARG 117 -3.696 0.108 15.302 849 HH12 ARG 117 2HH1 ARG 117 -4.783 -1.172 15.553 850 HH21 ARG 117 1HH2 ARG 117 -7.635 0.548 14.343 851 HH22 ARG 117 2HH2 ARG 117 -7.080 -0.901 15.033 852 H ASN 118 H ASN 118 -0.558 4.802 15.060 853 HA ASN 118 HA ASN 118 1.494 6.111 13.393 854 HB2 ASN 118 2HB ASN 118 1.555 5.377 16.312 855 HB3 ASN 118 1HB ASN 118 3.031 5.624 15.392 856 HD21 ASN 118 1HD2 ASN 118 3.538 7.664 14.688 857 HD22 ASN 118 2HD2 ASN 118 2.829 9.088 15.361 858 H ALA 119 H ALA 119 0.322 3.171 14.890 859 HA ALA 119 HA ALA 119 1.959 1.635 13.072 860 HB1 ALA 119 1HB ALA 119 2.573 0.062 14.855 861 HB2 ALA 119 2HB ALA 119 1.802 1.112 16.044 862 HB3 ALA 119 3HB ALA 119 3.233 1.668 15.173 863 H GLN 120 H GLN 120 0.879 -0.060 12.331 864 HA GLN 120 HA GLN 120 -1.556 -0.960 13.673 865 HB2 GLN 120 2HB GLN 120 -1.993 1.109 12.153 866 HB3 GLN 120 1HB GLN 120 -1.756 0.008 10.818 867 HG2 GLN 120 2HG GLN 120 -3.849 -0.392 12.955 868 HG3 GLN 120 1HG GLN 120 -4.144 0.485 11.469 869 HE21 GLN 120 1HE2 GLN 120 -2.550 -1.343 9.856 870 HE22 GLN 120 2HE2 GLN 120 -3.502 -2.784 9.780 871 H VAL 121 H VAL 121 -1.532 -3.145 13.515 872 HA VAL 121 HA VAL 121 0.120 -4.442 11.519 873 HB VAL 121 HB VAL 121 -1.677 -5.695 13.642 874 HG11 VAL 121 1HG1 VAL 121 -1.263 -7.219 11.770 875 HG12 VAL 121 2HG1 VAL 121 -0.394 -7.760 13.209 876 HG13 VAL 121 3HG1 VAL 121 0.471 -6.939 11.912 877 HG21 VAL 121 3HG2 VAL 121 0.400 -6.128 14.874 878 HG22 VAL 121 1HG2 VAL 121 0.145 -4.400 14.626 879 HG23 VAL 121 2HG2 VAL 121 1.311 -5.271 13.634 880 H MET 122 H MET 122 -0.628 -5.104 9.617 881 HA MET 122 HA MET 122 -3.392 -4.339 9.204 882 HB2 MET 122 2HB MET 122 -1.652 -3.021 8.114 883 HB3 MET 122 1HB MET 122 -1.145 -4.444 7.230 884 HG2 MET 122 2HG MET 122 -3.049 -4.466 5.911 885 HG3 MET 122 1HG MET 122 -3.947 -3.473 7.063 886 HE1 MET 122 3HE MET 122 -2.504 0.072 6.562 887 HE2 MET 122 1HE MET 122 -2.167 -1.120 7.806 888 HE3 MET 122 2HE MET 122 -3.820 -0.879 7.244 889 H GLN 123 H GLN 123 -4.842 -5.396 8.230 890 HA GLN 123 HA GLN 123 -4.334 -8.195 7.599 891 HB2 GLN 123 2HB GLN 123 -6.803 -6.821 8.692 892 HB3 GLN 123 1HB GLN 123 -6.730 -8.506 8.198 893 HG2 GLN 123 2HG GLN 123 -5.122 -8.976 9.946 894 HG3 GLN 123 1HG GLN 123 -5.100 -7.281 10.414 895 HE21 GLN 123 1HE2 GLN 123 -5.808 -9.646 11.967 896 HE22 GLN 123 2HE2 GLN 123 -7.436 -9.385 12.507 897 H THR 124 H THR 124 -5.698 -8.966 5.863 898 HA THR 124 HA THR 124 -5.667 -7.221 3.669 899 HB THR 124 HB THR 124 -5.454 -9.708 3.471 900 HG1 THR 124 1HG THR 124 -7.692 -8.845 1.960 901 HG21 THR 124 3HG2 THR 124 -7.168 -10.386 5.062 902 HG22 THR 124 1HG2 THR 124 -7.479 -11.101 3.479 903 HG23 THR 124 2HG2 THR 124 -8.421 -9.710 4.019 904 H GLY 125 H GLY 125 -7.190 -5.924 2.824 905 HA2 GLY 125 2HA GLY 125 -9.426 -5.234 2.424 906 HA3 GLY 125 1HA GLY 125 -9.913 -6.043 3.908 907 H ASP 126 H ASP 126 -7.110 -4.548 4.707 908 HA ASP 126 HA ASP 126 -8.474 -2.281 5.864 909 HB2 ASP 126 2HB ASP 126 -5.609 -3.215 6.005 910 HB3 ASP 126 1HB ASP 126 -6.091 -1.649 6.632 911 H GLU 127 H GLU 127 -8.192 -0.183 5.306 912 HA GLU 127 HA GLU 127 -6.778 0.201 2.797 913 HB2 GLU 127 2HB GLU 127 -9.245 1.586 3.830 914 HB3 GLU 127 1HB GLU 127 -8.355 2.098 2.400 915 HG2 GLU 127 2HG GLU 127 -8.791 -0.092 1.365 916 HG3 GLU 127 1HG GLU 127 -9.718 -0.564 2.786 917 H ILE 128 H ILE 128 -5.383 1.730 2.632 918 HA ILE 128 HA ILE 128 -4.440 3.065 5.125 919 HB ILE 128 HB ILE 128 -2.813 2.707 2.619 920 HG12 ILE 128 2HG1 ILE 128 -3.056 0.580 4.765 921 HG13 ILE 128 1HG1 ILE 128 -3.763 0.469 3.163 922 HG21 ILE 128 1HG2 ILE 128 -1.952 4.112 4.412 923 HG22 ILE 128 2HG2 ILE 128 -0.955 2.671 4.225 924 HG23 ILE 128 3HG2 ILE 128 -2.108 2.778 5.556 925 HD11 ILE 128 3HD1 ILE 128 -1.691 -0.792 3.307 926 HD12 ILE 128 1HD1 ILE 128 -0.825 0.673 3.763 927 HD13 ILE 128 2HD1 ILE 128 -1.547 0.542 2.160 928 H GLN 129 H GLN 129 -4.407 5.177 5.097 929 HA GLN 129 HA GLN 129 -4.716 6.519 2.542 930 HB2 GLN 129 2HB GLN 129 -5.781 7.236 5.241 931 HB3 GLN 129 1HB GLN 129 -5.841 8.329 3.847 932 HG2 GLN 129 2HG GLN 129 -7.165 6.711 2.648 933 HG3 GLN 129 1HG GLN 129 -7.058 5.594 4.006 934 HE21 GLN 129 1HE2 GLN 129 -8.449 8.492 2.784 935 HE22 GLN 129 2HE2 GLN 129 -9.735 8.564 3.927 936 H ILE 130 H ILE 130 -3.095 7.559 1.984 937 HA ILE 130 HA ILE 130 -1.087 8.431 3.972 938 HB ILE 130 HB ILE 130 -0.798 7.818 1.006 939 HG12 ILE 130 2HG1 ILE 130 -1.031 5.766 2.306 940 HG13 ILE 130 1HG1 ILE 130 0.604 5.905 1.675 941 HG21 ILE 130 1HG2 ILE 130 1.613 8.108 1.261 942 HG22 ILE 130 2HG2 ILE 130 1.355 8.663 2.915 943 HG23 ILE 130 3HG2 ILE 130 0.710 9.594 1.562 944 HD11 ILE 130 3HD1 ILE 130 1.365 6.642 3.896 945 HD12 ILE 130 1HD1 ILE 130 0.612 5.049 3.940 946 HD13 ILE 130 2HD1 ILE 130 -0.281 6.459 4.505 947 H GLY 131 H GLY 131 -1.735 10.519 4.407 948 HA2 GLY 131 2HA GLY 131 -2.046 12.762 4.060 949 HA3 GLY 131 1HA GLY 131 -1.461 12.538 2.415 950 H LYS 132 H LYS 132 -2.951 11.691 0.882 951 HA LYS 132 HA LYS 132 -5.766 11.844 1.524 952 HB2 LYS 132 2HB LYS 132 -6.280 13.275 -0.437 953 HB3 LYS 132 1HB LYS 132 -5.383 14.092 0.825 954 HG2 LYS 132 2HG LYS 132 -3.316 13.762 -0.536 955 HG3 LYS 132 1HG LYS 132 -4.344 13.117 -1.821 956 HD2 LYS 132 2HD LYS 132 -5.598 15.175 -1.913 957 HD3 LYS 132 1HD LYS 132 -4.681 15.848 -0.576 958 HE2 LYS 132 2HE LYS 132 -3.817 16.769 -2.615 959 HE3 LYS 132 1HE LYS 132 -2.626 15.641 -1.975 960 HZ1 LYS 132 3HZ LYS 132 -4.465 15.227 -4.264 961 HZ2 LYS 132 1HZ LYS 132 -3.504 13.987 -3.588 962 HZ3 LYS 132 2HZ LYS 132 -2.780 15.323 -4.234 963 H PHE 133 H PHE 133 -3.422 10.056 0.343 964 HA PHE 133 HA PHE 133 -4.633 8.931 -2.032 965 HB2 PHE 133 2HB PHE 133 -2.391 8.042 -0.228 966 HB3 PHE 133 1HB PHE 133 -2.988 7.050 -1.538 967 HD1 PHE 133 1HD PHE 133 -1.248 10.189 -0.702 968 HD2 PHE 133 2HD PHE 133 -2.281 7.401 -3.735 969 HE1 PHE 133 1HE PHE 133 0.418 11.199 -2.193 970 HE2 PHE 133 2HE PHE 133 -0.628 8.406 -5.236 971 HZ PHE 133 HZ PHE 133 0.728 10.301 -4.473 972 H ARG 134 H ARG 134 -5.637 6.918 -2.097 973 HA ARG 134 HA ARG 134 -6.355 5.702 0.497 974 HB2 ARG 134 2HB ARG 134 -8.314 6.857 -0.613 975 HB3 ARG 134 1HB ARG 134 -8.058 5.828 -2.012 976 HG2 ARG 134 2HG ARG 134 -9.894 4.932 -0.810 977 HG3 ARG 134 1HG ARG 134 -8.528 3.854 -0.549 978 HD2 ARG 134 2HD ARG 134 -8.145 4.841 1.646 979 HD3 ARG 134 1HD ARG 134 -9.449 5.996 1.371 980 HE ARG 134 HE ARG 134 -10.157 3.180 1.203 981 HH11 ARG 134 1HH1 ARG 134 -10.161 6.096 3.249 982 HH12 ARG 134 2HH1 ARG 134 -11.354 5.528 4.271 983 HH21 ARG 134 1HH2 ARG 134 -11.780 2.398 2.700 984 HH22 ARG 134 2HH2 ARG 134 -12.287 3.358 4.000 985 H LEU 135 H LEU 135 -5.394 3.762 0.567 986 HA LEU 135 HA LEU 135 -4.968 2.284 -1.932 987 HB2 LEU 135 2HB LEU 135 -3.208 2.214 0.539 988 HB3 LEU 135 1HB LEU 135 -2.964 1.298 -0.923 989 HG LEU 135 HG LEU 135 -2.636 3.586 -2.078 990 HD11 LEU 135 1HD1 LEU 135 -1.798 5.374 -0.658 991 HD12 LEU 135 2HD1 LEU 135 -2.234 4.440 0.774 992 HD13 LEU 135 3HD1 LEU 135 -3.491 5.009 -0.324 993 HD21 LEU 135 3HD2 LEU 135 -0.638 2.546 -0.076 994 HD22 LEU 135 1HD2 LEU 135 -0.278 3.663 -1.395 995 HD23 LEU 135 2HD2 LEU 135 -0.842 2.039 -1.757 996 H VAL 136 H VAL 136 -5.479 0.128 -1.853 997 HA VAL 136 HA VAL 136 -6.810 -0.755 0.621 998 HB VAL 136 HB VAL 136 -7.232 -1.872 -2.169 999 HG11 VAL 136 1HG1 VAL 136 -9.272 -2.846 -1.229 1000 HG12 VAL 136 2HG1 VAL 136 -8.869 -2.158 0.343 1001 HG13 VAL 136 3HG1 VAL 136 -7.828 -3.389 -0.371 1002 HG21 VAL 136 3HG2 VAL 136 -7.951 0.462 -2.185 1003 HG22 VAL 136 1HG2 VAL 136 -8.946 0.182 -0.757 1004 HG23 VAL 136 2HG2 VAL 136 -9.343 -0.616 -2.278 1005 H PHE 137 H PHE 137 -5.784 -2.340 1.652 1006 HA PHE 137 HA PHE 137 -3.489 -3.617 0.370 1007 HB2 PHE 137 2HB PHE 137 -3.211 -2.335 2.474 1008 HB3 PHE 137 1HB PHE 137 -4.339 -3.421 3.259 1009 HD1 PHE 137 1HD PHE 137 -3.665 -5.770 3.728 1010 HD2 PHE 137 2HD PHE 137 -0.947 -2.903 2.147 1011 HE1 PHE 137 1HE PHE 137 -1.776 -7.174 4.429 1012 HE2 PHE 137 2HE PHE 137 0.939 -4.308 2.838 1013 HZ PHE 137 HZ PHE 137 0.527 -6.440 3.981 1014 H LEU 138 H LEU 138 -3.616 -5.732 -0.195 1015 HA LEU 138 HA LEU 138 -5.479 -7.462 1.255 1016 HB2 LEU 138 2HB LEU 138 -5.069 -7.534 -1.749 1017 HB3 LEU 138 1HB LEU 138 -6.008 -8.671 -0.826 1018 HG LEU 138 HG LEU 138 -7.483 -6.593 -0.251 1019 HD11 LEU 138 1HD1 LEU 138 -6.108 -5.621 -2.748 1020 HD12 LEU 138 2HD1 LEU 138 -6.019 -4.884 -1.147 1021 HD13 LEU 138 3HD1 LEU 138 -7.550 -4.915 -2.023 1022 HD21 LEU 138 3HD2 LEU 138 -8.817 -6.977 -2.268 1023 HD22 LEU 138 1HD2 LEU 138 -8.240 -8.489 -1.568 1024 HD23 LEU 138 2HD2 LEU 138 -7.457 -7.825 -3.002 1025 H ALA 139 H ALA 139 -4.776 -9.667 1.257 1026 HA ALA 139 HA ALA 139 -1.917 -9.925 0.857 1027 HB1 ALA 139 1HB ALA 139 -2.139 -12.201 1.750 1028 HB2 ALA 139 2HB ALA 139 -3.887 -12.085 1.710 1029 HB3 ALA 139 3HB ALA 139 -2.960 -11.066 2.816 1030 H GLY 140 H GLY 140 -0.992 -11.307 -0.772 1031 HA2 GLY 140 2HA GLY 140 -2.853 -11.424 -3.049 1032 HA3 GLY 140 1HA GLY 140 -1.126 -11.171 -3.166 1033 HA PRO 141 HA PRO 141 -2.013 -15.887 -2.873 1034 HB2 PRO 141 2HB PRO 141 -4.298 -16.142 -4.633 1035 HB3 PRO 141 1HB PRO 141 -4.102 -16.758 -2.992 1036 HG2 PRO 141 2HG PRO 141 -5.840 -14.744 -3.662 1037 HG3 PRO 141 1HG PRO 141 -5.143 -14.938 -2.050 1038 HD2 PRO 141 2HD PRO 141 -4.368 -13.058 -4.237 1039 HD3 PRO 141 1HD PRO 141 -4.381 -12.810 -2.475 1040 H ALA 142 H ALA 142 -0.948 -17.011 -4.407 1041 HA ALA 142 HA ALA 142 -1.240 -16.929 -7.128 1042 HB1 ALA 142 1HB ALA 142 -0.353 -14.626 -7.074 1043 HB2 ALA 142 2HB ALA 142 0.760 -15.716 -7.905 1044 HB3 ALA 142 3HB ALA 142 1.087 -15.215 -6.245 1045 H GLU 143 H GLU 143 -1.137 -19.058 -6.232 1046 HA GLU 143 HA GLU 143 1.518 -19.986 -5.798 1047 HB2 GLU 143 2HB GLU 143 0.236 -22.010 -5.038 1048 HB3 GLU 143 1HB GLU 143 0.191 -20.626 -3.948 1049 HG2 GLU 143 2HG GLU 143 -1.993 -21.559 -5.837 1050 HG3 GLU 143 1HG GLU 143 -1.950 -21.872 -4.111 Start of MODEL 10 1 H1 MET 1 1HT MET 1 5.832 -16.552 10.617 2 H2 MET 1 2HT MET 1 5.813 -18.075 11.336 3 H3 MET 1 3HT MET 1 6.099 -17.914 9.686 4 HA MET 1 HA MET 1 7.902 -16.838 11.723 5 HB2 MET 1 2HB MET 1 7.907 -19.478 10.300 6 HB3 MET 1 1HB MET 1 9.426 -18.720 10.751 7 HG2 MET 1 2HG MET 1 8.684 -20.374 12.386 8 HG3 MET 1 1HG MET 1 8.802 -18.764 13.080 9 HE1 MET 1 2HE MET 1 7.452 -19.504 15.173 10 HE2 MET 1 3HE MET 1 7.332 -21.141 14.530 11 HE3 MET 1 1HE MET 1 5.887 -20.313 15.110 12 H SER 2 H SER 2 10.021 -16.286 10.848 13 HA SER 2 HA SER 2 10.668 -16.088 8.183 14 HB2 SER 2 2HB SER 2 8.805 -14.376 8.099 15 HB3 SER 2 1HB SER 2 9.590 -13.494 9.404 16 HG SER 2 HG SER 2 10.041 -13.341 6.770 17 H ASP 3 H ASP 3 12.421 -14.034 8.277 18 HA ASP 3 HA ASP 3 14.091 -14.714 10.572 19 HB2 ASP 3 2HB ASP 3 14.699 -13.225 8.026 20 HB3 ASP 3 1HB ASP 3 15.765 -13.094 9.415 21 H ASN 4 H ASN 4 15.305 -12.875 11.599 22 HA ASN 4 HA ASN 4 13.379 -10.977 12.487 23 HB2 ASN 4 2HB ASN 4 15.173 -10.090 13.934 24 HB3 ASN 4 1HB ASN 4 15.005 -11.828 14.108 25 HD21 ASN 4 1HD2 ASN 4 17.210 -10.088 14.762 26 HD22 ASN 4 2HD2 ASN 4 18.590 -10.670 13.907 27 H ASN 5 H ASN 5 13.069 -8.964 11.794 28 HA ASN 5 HA ASN 5 14.963 -8.012 9.786 29 HB2 ASN 5 2HB ASN 5 11.958 -8.015 9.610 30 HB3 ASN 5 1HB ASN 5 12.935 -6.903 8.660 31 HD21 ASN 5 1HD2 ASN 5 11.991 -10.231 9.107 32 HD22 ASN 5 2HD2 ASN 5 12.675 -10.800 7.639 33 H GLY 6 H GLY 6 15.083 -5.788 9.450 34 HA2 GLY 6 2HA GLY 6 14.329 -4.252 11.834 35 HA3 GLY 6 1HA GLY 6 15.849 -4.038 10.966 36 H THR 7 H THR 7 15.526 -1.916 10.483 37 HA THR 7 HA THR 7 13.390 -1.358 8.564 38 HB THR 7 HB THR 7 12.938 -0.308 10.811 39 HG1 THR 7 1HG THR 7 12.015 1.167 9.679 40 HG21 THR 7 3HG2 THR 7 14.322 1.592 11.559 41 HG22 THR 7 1HG2 THR 7 15.469 1.252 10.265 42 HG23 THR 7 2HG2 THR 7 15.232 0.083 11.563 43 HA PRO 8 HA PRO 8 16.671 0.084 5.803 44 HB2 PRO 8 2HB PRO 8 14.902 2.459 5.399 45 HB3 PRO 8 1HB PRO 8 15.651 1.411 4.187 46 HG2 PRO 8 2HG PRO 8 13.072 1.188 4.700 47 HG3 PRO 8 1HG PRO 8 14.061 -0.264 4.464 48 HD2 PRO 8 2HD PRO 8 13.023 0.924 7.002 49 HD3 PRO 8 1HD PRO 8 13.167 -0.782 6.526 50 H GLU 9 H GLU 9 18.270 1.724 5.779 51 HA GLU 9 HA GLU 9 18.566 2.750 8.420 52 HB2 GLU 9 2HB GLU 9 20.479 2.697 6.091 53 HB3 GLU 9 1HB GLU 9 20.903 3.236 7.716 54 HG2 GLU 9 2HG GLU 9 20.340 1.075 8.633 55 HG3 GLU 9 1HG GLU 9 19.823 0.510 7.051 56 HA PRO 10 HA PRO 10 16.977 6.627 8.147 57 HB2 PRO 10 2HB PRO 10 18.729 8.068 9.716 58 HB3 PRO 10 1HB PRO 10 17.412 7.049 10.307 59 HG2 PRO 10 2HG PRO 10 20.316 6.410 10.018 60 HG3 PRO 10 1HG PRO 10 19.198 5.992 11.325 61 HD2 PRO 10 2HD PRO 10 19.880 4.186 9.492 62 HD3 PRO 10 1HD PRO 10 18.218 4.273 10.111 63 H GLN 11 H GLN 11 16.832 8.178 6.880 64 HA GLN 11 HA GLN 11 19.166 9.644 5.910 65 HB2 GLN 11 2HB GLN 11 16.570 9.032 4.452 66 HB3 GLN 11 1HB GLN 11 17.756 10.199 3.896 67 HG2 GLN 11 2HG GLN 11 19.394 8.393 3.638 68 HG3 GLN 11 1HG GLN 11 18.178 7.228 4.169 69 HE21 GLN 11 1HE2 GLN 11 18.252 6.128 2.205 70 HE22 GLN 11 2HE2 GLN 11 17.594 6.784 0.754 71 H VAL 12 H VAL 12 18.921 11.870 6.326 72 HA VAL 12 HA VAL 12 16.499 12.425 7.861 73 HB VAL 12 HB VAL 12 19.159 13.857 8.113 74 HG11 VAL 12 1HG1 VAL 12 16.730 13.881 9.892 75 HG12 VAL 12 2HG1 VAL 12 17.267 15.188 8.839 76 HG13 VAL 12 3HG1 VAL 12 18.256 14.703 10.217 77 HG21 VAL 12 3HG2 VAL 12 19.493 12.583 10.188 78 HG22 VAL 12 1HG2 VAL 12 19.430 11.524 8.779 79 HG23 VAL 12 2HG2 VAL 12 18.031 11.656 9.844 80 H GLU 13 H GLU 13 15.272 14.021 7.402 81 HA GLU 13 HA GLU 13 15.961 16.148 5.607 82 HB2 GLU 13 2HB GLU 13 15.168 14.424 4.081 83 HB3 GLU 13 1HB GLU 13 13.809 14.056 5.105 84 HG2 GLU 13 2HG GLU 13 13.076 15.281 3.165 85 HG3 GLU 13 1HG GLU 13 12.883 16.299 4.591 86 H THR 14 H THR 14 14.142 17.764 5.841 87 HA THR 14 HA THR 14 13.340 17.741 8.618 88 HB THR 14 HB THR 14 13.096 19.924 6.531 89 HG1 THR 14 1HG THR 14 15.065 20.443 7.094 90 HG21 THR 14 3HG2 THR 14 11.479 20.205 8.387 91 HG22 THR 14 1HG2 THR 14 12.745 21.431 8.452 92 HG23 THR 14 2HG2 THR 14 12.795 20.051 9.548 93 H TPO 15 H TPO 15 11.398 17.121 9.331 94 HA TPO 15 HA TPO 15 9.143 17.343 7.517 95 HB TPO 15 HB TPO 15 9.623 15.474 9.830 96 HG21 TPO 15 1HG2 TPO 15 7.421 16.488 10.327 97 HG22 TPO 15 2HG2 TPO 15 7.232 14.818 9.791 98 HG23 TPO 15 3HG2 TPO 15 6.889 16.142 8.680 99 H SER 16 H SER 16 7.917 18.961 7.701 100 HA SER 16 HA SER 16 7.506 20.346 10.202 101 HB2 SER 16 2HB SER 16 6.394 21.960 8.592 102 HB3 SER 16 1HB SER 16 8.122 21.722 8.313 103 HG SER 16 HG SER 16 5.947 21.006 6.782 104 H VAL 17 H VAL 17 5.119 20.646 10.757 105 HA VAL 17 HA VAL 17 3.780 18.208 10.024 106 HB VAL 17 HB VAL 17 2.780 20.501 11.751 107 HG11 VAL 17 1HG1 VAL 17 1.155 18.870 12.583 108 HG12 VAL 17 2HG1 VAL 17 1.776 17.676 11.444 109 HG13 VAL 17 3HG1 VAL 17 0.978 19.132 10.849 110 HG21 VAL 17 3HG2 VAL 17 4.790 19.486 12.705 111 HG22 VAL 17 1HG2 VAL 17 4.059 17.887 12.566 112 HG23 VAL 17 2HG2 VAL 17 3.370 19.080 13.666 113 H PHE 18 H PHE 18 2.716 18.097 8.248 114 HA PHE 18 HA PHE 18 1.781 20.515 6.987 115 HB2 PHE 18 2HB PHE 18 3.295 19.323 5.607 116 HB3 PHE 18 1HB PHE 18 2.547 17.787 5.977 117 HD1 PHE 18 2HD PHE 18 1.679 21.047 4.343 118 HD2 PHE 18 1HD PHE 18 1.311 16.811 4.352 119 HE1 PHE 18 2HE PHE 18 0.448 21.138 2.207 120 HE2 PHE 18 1HE PHE 18 0.103 16.884 2.243 121 HZ PHE 18 HZ PHE 18 -0.343 19.063 1.150 122 H ARG 19 H ARG 19 -0.237 20.960 7.150 123 HA ARG 19 HA ARG 19 -2.051 19.027 8.259 124 HB2 ARG 19 2HB ARG 19 -2.392 21.960 7.581 125 HB3 ARG 19 1HB ARG 19 -3.716 20.970 8.151 126 HG2 ARG 19 2HG ARG 19 -2.900 22.238 10.005 127 HG3 ARG 19 1HG ARG 19 -2.423 20.567 10.258 128 HD2 ARG 19 2HD ARG 19 -0.139 21.107 9.542 129 HD3 ARG 19 1HD ARG 19 -0.628 22.772 9.205 130 HE ARG 19 HE ARG 19 -1.316 22.200 11.831 131 HH11 ARG 19 1HH1 ARG 19 1.746 22.513 10.039 132 HH12 ARG 19 2HH1 ARG 19 2.616 23.077 11.371 133 HH21 ARG 19 1HH2 ARG 19 -0.089 22.984 13.639 134 HH22 ARG 19 2HH2 ARG 19 1.553 23.387 13.456 135 H ALA 20 H ALA 20 -2.400 17.562 6.764 136 HA ALA 20 HA ALA 20 -3.088 18.312 4.053 137 HB1 ALA 20 1HB ALA 20 -2.703 15.591 5.307 138 HB2 ALA 20 2HB ALA 20 -1.482 16.504 4.424 139 HB3 ALA 20 3HB ALA 20 -2.918 15.914 3.587 140 H ASP 21 H ASP 21 -4.768 16.330 3.282 141 HA ASP 21 HA ASP 21 -7.335 17.201 4.006 142 HB2 ASP 21 2HB ASP 21 -6.471 14.657 2.612 143 HB3 ASP 21 1HB ASP 21 -8.126 15.243 2.696 144 H LEU 22 H LEU 22 -5.266 15.182 5.594 145 HA LEU 22 HA LEU 22 -6.931 13.305 6.874 146 HB2 LEU 22 2HB LEU 22 -4.441 14.605 7.934 147 HB3 LEU 22 1HB LEU 22 -5.138 13.093 8.468 148 HG LEU 22 HG LEU 22 -3.894 13.620 5.780 149 HD11 LEU 22 1HD1 LEU 22 -2.310 13.543 7.587 150 HD12 LEU 22 2HD1 LEU 22 -2.187 12.098 6.579 151 HD13 LEU 22 3HD1 LEU 22 -2.998 12.018 8.146 152 HD21 LEU 22 3HD2 LEU 22 -4.135 11.204 5.434 153 HD22 LEU 22 1HD2 LEU 22 -5.707 11.988 5.605 154 HD23 LEU 22 2HD2 LEU 22 -5.024 11.076 6.950 155 H LEU 23 H LEU 23 -6.470 16.670 7.255 156 HA LEU 23 HA LEU 23 -7.133 17.149 9.921 157 HB2 LEU 23 2HB LEU 23 -6.331 18.706 7.977 158 HB3 LEU 23 1HB LEU 23 -8.027 18.867 7.611 159 HG LEU 23 HG LEU 23 -7.207 20.773 8.833 160 HD11 LEU 23 1HD1 LEU 23 -9.065 19.138 10.527 161 HD12 LEU 23 2HD1 LEU 23 -9.510 20.233 9.220 162 HD13 LEU 23 3HD1 LEU 23 -8.782 20.870 10.694 163 HD21 LEU 23 3HD2 LEU 23 -5.367 19.827 10.011 164 HD22 LEU 23 1HD2 LEU 23 -6.442 18.812 10.977 165 HD23 LEU 23 2HD2 LEU 23 -6.478 20.556 11.171 166 H LYS 24 H LYS 24 -9.126 16.765 7.033 167 HA LYS 24 HA LYS 24 -11.587 17.045 8.496 168 HB2 LYS 24 2HB LYS 24 -11.165 17.712 6.038 169 HB3 LYS 24 1HB LYS 24 -11.264 16.001 5.668 170 HG2 LYS 24 2HG LYS 24 -13.492 17.509 7.030 171 HG3 LYS 24 1HG LYS 24 -13.352 17.389 5.282 172 HD2 LYS 24 2HD LYS 24 -13.684 15.022 5.362 173 HD3 LYS 24 1HD LYS 24 -13.511 15.008 7.119 174 HE2 LYS 24 2HE LYS 24 -15.685 16.498 5.666 175 HE3 LYS 24 1HE LYS 24 -15.877 14.863 6.302 176 HZ1 LYS 24 3HZ LYS 24 -16.648 16.750 7.744 177 HZ2 LYS 24 1HZ LYS 24 -15.045 17.146 8.034 178 HZ3 LYS 24 2HZ LYS 24 -15.637 15.639 8.492 179 H GLU 25 H GLU 25 -9.464 14.540 7.458 180 HA GLU 25 HA GLU 25 -11.297 12.383 7.602 181 HB2 GLU 25 2HB GLU 25 -8.988 12.472 6.441 182 HB3 GLU 25 1HB GLU 25 -8.344 12.074 8.029 183 HG2 GLU 25 2HG GLU 25 -8.596 10.060 6.753 184 HG3 GLU 25 1HG GLU 25 -9.761 10.071 8.075 185 H MET 26 H MET 26 -9.160 13.908 9.966 186 HA MET 26 HA MET 26 -9.582 11.937 11.956 187 HB2 MET 26 2HB MET 26 -8.611 13.466 13.574 188 HB3 MET 26 1HB MET 26 -7.679 13.525 12.092 189 HG2 MET 26 2HG MET 26 -8.774 15.617 11.489 190 HG3 MET 26 1HG MET 26 -9.723 15.546 12.973 191 HE1 MET 26 3HE MET 26 -8.070 18.079 12.171 192 HE2 MET 26 1HE MET 26 -7.219 18.486 13.663 193 HE3 MET 26 2HE MET 26 -8.904 17.990 13.719 194 H GLU 27 H GLU 27 -11.561 14.492 10.813 195 HA GLU 27 HA GLU 27 -13.262 14.651 13.125 196 HB2 GLU 27 2HB GLU 27 -13.963 15.278 10.243 197 HB3 GLU 27 1HB GLU 27 -14.836 15.817 11.665 198 HG2 GLU 27 2HG GLU 27 -12.899 17.189 12.297 199 HG3 GLU 27 1HG GLU 27 -12.071 16.669 10.828 200 H SER 28 H SER 28 -12.984 12.755 10.228 201 HA SER 28 HA SER 28 -15.502 11.426 10.438 202 HB2 SER 28 2HB SER 28 -13.070 10.755 8.791 203 HB3 SER 28 1HB SER 28 -14.734 10.236 8.499 204 HG SER 28 HG SER 28 -14.809 12.825 8.706 205 H SER 29 H SER 29 -12.420 11.077 11.829 206 HA SER 29 HA SER 29 -12.296 8.290 12.213 207 HB2 SER 29 2HB SER 29 -10.386 9.915 12.466 208 HB3 SER 29 1HB SER 29 -11.119 10.452 13.979 209 HG SER 29 HG SER 29 -10.239 7.882 13.309 210 H THR 30 H THR 30 -13.991 10.866 13.781 211 HA THR 30 HA THR 30 -14.778 9.437 16.111 212 HB THR 30 HB THR 30 -16.217 11.764 14.857 213 HG1 THR 30 1HG THR 30 -14.540 12.977 15.091 214 HG21 THR 30 3HG2 THR 30 -16.477 12.449 17.210 215 HG22 THR 30 1HG2 THR 30 -15.544 11.041 17.715 216 HG23 THR 30 2HG2 THR 30 -17.117 10.828 16.938 217 H GLY 31 H GLY 31 -15.816 7.544 15.482 218 HA2 GLY 31 2HA GLY 31 -17.660 6.296 14.814 219 HA3 GLY 31 1HA GLY 31 -18.385 7.771 14.168 220 H THR 32 H THR 32 -15.485 5.837 13.557 221 HA THR 32 HA THR 32 -15.770 6.331 10.713 222 HB THR 32 HB THR 32 -13.536 6.674 11.710 223 HG1 THR 32 1HG THR 32 -12.413 5.008 10.265 224 HG21 THR 32 3HG2 THR 32 -13.661 5.030 13.520 225 HG22 THR 32 1HG2 THR 32 -12.225 4.751 12.534 226 HG23 THR 32 2HG2 THR 32 -13.640 3.717 12.345 227 H ALA 33 H ALA 33 -15.825 4.617 9.201 228 HA ALA 33 HA ALA 33 -16.838 2.112 10.321 229 HB1 ALA 33 1HB ALA 33 -18.456 3.322 8.905 230 HB2 ALA 33 2HB ALA 33 -18.012 1.767 8.211 231 HB3 ALA 33 3HB ALA 33 -17.323 3.248 7.557 232 HA PRO 34 HA PRO 34 -12.871 0.777 8.586 233 HB2 PRO 34 2HB PRO 34 -12.583 -1.418 10.134 234 HB3 PRO 34 1HB PRO 34 -12.220 0.201 10.737 235 HG2 PRO 34 2HG PRO 34 -14.646 -1.479 11.176 236 HG3 PRO 34 1HG PRO 34 -13.769 -0.453 12.323 237 HD2 PRO 34 2HD PRO 34 -16.086 0.286 11.056 238 HD3 PRO 34 1HD PRO 34 -14.877 1.443 11.649 239 H ALA 35 H ALA 35 -12.488 -0.678 7.022 240 HA ALA 35 HA ALA 35 -14.697 -2.090 5.918 241 HB1 ALA 35 1HB ALA 35 -13.144 -2.799 4.194 242 HB2 ALA 35 2HB ALA 35 -11.784 -2.226 5.158 243 HB3 ALA 35 3HB ALA 35 -12.954 -1.077 4.513 244 H SER 36 H SER 36 -14.508 -4.416 5.294 245 HA SER 36 HA SER 36 -14.192 -6.011 7.582 246 HB2 SER 36 2HB SER 36 -14.429 -6.885 4.702 247 HB3 SER 36 1HB SER 36 -14.829 -7.839 6.135 248 HG SER 36 HG SER 36 -16.275 -5.917 6.585 249 H THR 37 H THR 37 -12.374 -6.776 8.398 250 HA THR 37 HA THR 37 -9.982 -7.004 6.733 251 HB THR 37 HB THR 37 -8.869 -6.817 9.036 252 HG1 THR 37 1HG THR 37 -10.349 -5.665 10.545 253 HG21 THR 37 3HG2 THR 37 -8.928 -4.947 7.424 254 HG22 THR 37 1HG2 THR 37 -9.096 -4.365 9.083 255 HG23 THR 37 2HG2 THR 37 -10.513 -4.476 8.042 256 H GLY 38 H GLY 38 -8.488 -8.554 8.646 257 HA2 GLY 38 2HA GLY 38 -9.256 -10.715 9.881 258 HA3 GLY 38 1HA GLY 38 -9.729 -11.178 8.250 259 H ALA 39 H ALA 39 -6.972 -10.291 10.280 260 HA ALA 39 HA ALA 39 -5.124 -11.119 8.179 261 HB1 ALA 39 1HB ALA 39 -3.360 -10.268 9.607 262 HB2 ALA 39 2HB ALA 39 -4.537 -9.934 10.883 263 HB3 ALA 39 3HB ALA 39 -4.620 -9.069 9.345 264 H GLU 40 H GLU 40 -6.499 -12.379 11.067 265 HA GLU 40 HA GLU 40 -4.312 -13.971 11.901 266 HB2 GLU 40 2HB GLU 40 -5.899 -15.057 13.424 267 HB3 GLU 40 1HB GLU 40 -5.955 -13.304 13.500 268 HG2 GLU 40 2HG GLU 40 -7.978 -13.269 12.192 269 HG3 GLU 40 1HG GLU 40 -7.889 -15.013 11.964 270 H ASN 41 H ASN 41 -6.103 -14.468 9.217 271 HA ASN 41 HA ASN 41 -6.033 -17.365 9.381 272 HB2 ASN 41 2HB ASN 41 -7.873 -16.350 8.089 273 HB3 ASN 41 1HB ASN 41 -6.708 -15.558 7.032 274 HD21 ASN 41 1HD2 ASN 41 -5.739 -16.756 5.393 275 HD22 ASN 41 2HD2 ASN 41 -6.195 -18.375 5.027 276 H LEU 42 H LEU 42 -4.277 -14.701 7.982 277 HA LEU 42 HA LEU 42 -2.451 -14.483 6.723 278 HB2 LEU 42 2HB LEU 42 -1.624 -16.770 8.474 279 HB3 LEU 42 1HB LEU 42 -0.490 -15.941 7.418 280 HG LEU 42 HG LEU 42 -1.993 -14.731 9.750 281 HD11 LEU 42 1HD1 LEU 42 0.212 -14.570 10.784 282 HD12 LEU 42 2HD1 LEU 42 0.922 -15.411 9.406 283 HD13 LEU 42 3HD1 LEU 42 -0.229 -16.245 10.452 284 HD21 LEU 42 3HD2 LEU 42 0.066 -13.509 7.905 285 HD22 LEU 42 1HD2 LEU 42 -0.571 -12.759 9.368 286 HD23 LEU 42 2HD2 LEU 42 -1.639 -13.067 8.005 287 HA PRO 43 HA PRO 43 -4.065 -17.427 3.607 288 HB2 PRO 43 2HB PRO 43 -3.311 -15.753 1.508 289 HB3 PRO 43 1HB PRO 43 -4.899 -15.808 2.271 290 HG2 PRO 43 2HG PRO 43 -2.614 -13.954 2.778 291 HG3 PRO 43 1HG PRO 43 -4.352 -13.611 2.757 292 HD2 PRO 43 2HD PRO 43 -3.004 -13.792 5.018 293 HD3 PRO 43 1HD PRO 43 -4.651 -14.439 4.908 294 H ALA 44 H ALA 44 -1.245 -15.601 2.418 295 HA ALA 44 HA ALA 44 0.176 -18.168 2.253 296 HB1 ALA 44 1HB ALA 44 0.172 -16.023 0.133 297 HB2 ALA 44 2HB ALA 44 -0.672 -17.570 0.037 298 HB3 ALA 44 3HB ALA 44 1.090 -17.527 0.082 299 H GLY 45 H GLY 45 0.185 -15.226 3.631 300 HA2 GLY 45 2HA GLY 45 1.864 -14.294 4.969 301 HA3 GLY 45 1HA GLY 45 3.016 -15.388 4.217 302 H SER 46 H SER 46 1.245 -13.865 1.848 303 HA SER 46 HA SER 46 3.096 -11.625 1.623 304 HB2 SER 46 2HB SER 46 2.128 -13.404 -0.635 305 HB3 SER 46 1HB SER 46 3.229 -12.032 -0.789 306 HG SER 46 HG SER 46 4.777 -13.328 -0.346 307 H ALA 47 H ALA 47 2.145 -9.876 0.257 308 HA ALA 47 HA ALA 47 -0.725 -9.910 -0.010 309 HB1 ALA 47 1HB ALA 47 0.671 -8.029 1.876 310 HB2 ALA 47 2HB ALA 47 -0.399 -9.349 2.337 311 HB3 ALA 47 3HB ALA 47 -1.035 -7.972 1.433 312 H LEU 48 H LEU 48 -1.478 -8.009 -1.105 313 HA LEU 48 HA LEU 48 0.640 -6.499 -2.352 314 HB2 LEU 48 2HB LEU 48 -0.621 -6.400 -4.484 315 HB3 LEU 48 1HB LEU 48 -0.069 -7.998 -4.099 316 HG LEU 48 HG LEU 48 -2.156 -8.170 -5.178 317 HD11 LEU 48 1HD1 LEU 48 -3.612 -9.333 -3.652 318 HD12 LEU 48 2HD1 LEU 48 -2.661 -8.734 -2.297 319 HD13 LEU 48 3HD1 LEU 48 -1.919 -9.802 -3.488 320 HD21 LEU 48 3HD2 LEU 48 -4.259 -7.148 -4.378 321 HD22 LEU 48 1HD2 LEU 48 -3.064 -5.956 -4.896 322 HD23 LEU 48 2HD2 LEU 48 -3.332 -6.245 -3.179 323 H LEU 49 H LEU 49 0.338 -4.389 -2.607 324 HA LEU 49 HA LEU 49 -2.142 -3.359 -1.473 325 HB2 LEU 49 2HB LEU 49 -0.898 -1.324 -0.767 326 HB3 LEU 49 1HB LEU 49 -0.338 -2.774 0.020 327 HG LEU 49 HG LEU 49 1.596 -2.726 -1.701 328 HD11 LEU 49 1HD1 LEU 49 0.702 -1.076 -3.228 329 HD12 LEU 49 2HD1 LEU 49 2.224 -0.524 -2.528 330 HD13 LEU 49 3HD1 LEU 49 0.696 0.135 -1.944 331 HD21 LEU 49 3HD2 LEU 49 1.396 -0.609 0.431 332 HD22 LEU 49 1HD2 LEU 49 2.890 -1.209 -0.288 333 HD23 LEU 49 2HD2 LEU 49 1.877 -2.287 0.673 334 H VAL 50 H VAL 50 -3.260 -1.902 -2.583 335 HA VAL 50 HA VAL 50 -2.099 -1.026 -5.111 336 HB VAL 50 HB VAL 50 -3.521 -2.943 -5.635 337 HG11 VAL 50 1HG1 VAL 50 -5.015 -2.932 -3.744 338 HG12 VAL 50 2HG1 VAL 50 -5.942 -2.921 -5.247 339 HG13 VAL 50 3HG1 VAL 50 -5.765 -1.440 -4.309 340 HG21 VAL 50 3HG2 VAL 50 -5.049 -1.909 -7.271 341 HG22 VAL 50 1HG2 VAL 50 -3.458 -1.145 -7.282 342 HG23 VAL 50 2HG2 VAL 50 -4.813 -0.347 -6.488 343 H VAL 51 H VAL 51 -2.406 1.033 -5.583 344 HA VAL 51 HA VAL 51 -3.865 2.717 -3.700 345 HB VAL 51 HB VAL 51 -2.739 3.475 -6.377 346 HG11 VAL 51 1HG1 VAL 51 -3.203 5.075 -3.846 347 HG12 VAL 51 2HG1 VAL 51 -4.173 5.146 -5.315 348 HG13 VAL 51 3HG1 VAL 51 -2.506 5.719 -5.332 349 HG21 VAL 51 3HG2 VAL 51 -1.190 3.399 -3.777 350 HG22 VAL 51 1HG2 VAL 51 -0.632 4.136 -5.280 351 HG23 VAL 51 2HG2 VAL 51 -0.919 2.399 -5.202 352 H LYS 52 H LYS 52 -5.898 2.997 -3.806 353 HA LYS 52 HA LYS 52 -7.363 1.861 -6.031 354 HB2 LYS 52 2HB LYS 52 -7.964 1.340 -3.675 355 HB3 LYS 52 1HB LYS 52 -8.330 3.028 -3.415 356 HG2 LYS 52 2HG LYS 52 -10.370 1.723 -3.729 357 HG3 LYS 52 1HG LYS 52 -10.167 2.911 -5.017 358 HD2 LYS 52 2HD LYS 52 -10.905 0.805 -5.960 359 HD3 LYS 52 1HD LYS 52 -9.251 1.137 -6.469 360 HE2 LYS 52 2HE LYS 52 -9.407 -1.174 -5.895 361 HE3 LYS 52 1HE LYS 52 -8.466 -0.375 -4.647 362 HZ1 LYS 52 3HZ LYS 52 -10.597 -0.308 -3.302 363 HZ2 LYS 52 1HZ LYS 52 -10.020 -1.854 -3.636 364 HZ3 LYS 52 2HZ LYS 52 -11.292 -1.230 -4.502 365 H ARG 53 H ARG 53 -6.672 4.906 -4.598 366 HA ARG 53 HA ARG 53 -7.836 6.326 -6.819 367 HB2 ARG 53 2HB ARG 53 -9.808 6.059 -5.408 368 HB3 ARG 53 1HB ARG 53 -8.918 6.615 -4.002 369 HG2 ARG 53 2HG ARG 53 -10.416 8.330 -4.826 370 HG3 ARG 53 1HG ARG 53 -8.735 8.837 -4.985 371 HD2 ARG 53 2HD ARG 53 -8.804 8.161 -7.351 372 HD3 ARG 53 1HD ARG 53 -10.516 7.773 -7.179 373 HE ARG 53 HE ARG 53 -10.397 10.293 -6.319 374 HH11 ARG 53 1HH1 ARG 53 -9.171 8.758 -9.260 375 HH12 ARG 53 2HH1 ARG 53 -9.323 10.141 -10.233 376 HH21 ARG 53 1HH2 ARG 53 -10.599 12.219 -7.660 377 HH22 ARG 53 2HH2 ARG 53 -10.180 12.152 -9.308 378 H GLY 54 H GLY 54 -6.746 8.255 -7.097 379 HA2 GLY 54 2HA GLY 54 -5.748 10.090 -5.561 380 HA3 GLY 54 1HA GLY 54 -4.621 8.788 -5.189 381 HA PRO 55 HA PRO 55 -3.218 11.021 -9.068 382 HB2 PRO 55 2HB PRO 55 -0.794 11.598 -7.488 383 HB3 PRO 55 1HB PRO 55 -1.774 12.691 -8.464 384 HG2 PRO 55 2HG PRO 55 -1.804 12.843 -5.796 385 HG3 PRO 55 1HG PRO 55 -3.279 13.100 -6.747 386 HD2 PRO 55 2HD PRO 55 -2.393 10.643 -5.272 387 HD3 PRO 55 1HD PRO 55 -3.994 11.416 -5.303 388 H ASN 56 H ASN 56 -1.394 9.055 -6.672 389 HA ASN 56 HA ASN 56 0.149 7.807 -8.760 390 HB2 ASN 56 2HB ASN 56 1.198 6.634 -6.787 391 HB3 ASN 56 1HB ASN 56 1.345 8.385 -6.763 392 HD21 ASN 56 1HD2 ASN 56 0.020 9.626 -5.231 393 HD22 ASN 56 2HD2 ASN 56 -0.603 8.784 -3.864 394 H ALA 57 H ALA 57 -2.837 7.453 -8.363 395 HA ALA 57 HA ALA 57 -3.320 4.809 -7.506 396 HB1 ALA 57 1HB ALA 57 -5.049 6.557 -9.233 397 HB2 ALA 57 2HB ALA 57 -5.069 6.514 -7.471 398 HB3 ALA 57 3HB ALA 57 -5.553 5.091 -8.392 399 H GLY 58 H GLY 58 -3.779 3.007 -8.695 400 HA2 GLY 58 2HA GLY 58 -3.984 1.885 -10.786 401 HA3 GLY 58 1HA GLY 58 -2.941 3.116 -11.500 402 H ALA 59 H ALA 59 -1.416 2.892 -8.853 403 HA ALA 59 HA ALA 59 0.402 0.850 -9.828 404 HB1 ALA 59 1HB ALA 59 0.643 2.699 -7.454 405 HB2 ALA 59 2HB ALA 59 1.308 2.986 -9.063 406 HB3 ALA 59 3HB ALA 59 1.916 1.652 -8.082 407 H ARG 60 H ARG 60 0.689 -1.130 -8.945 408 HA ARG 60 HA ARG 60 -0.442 -1.646 -6.312 409 HB2 ARG 60 2HB ARG 60 -1.514 -3.672 -6.971 410 HB3 ARG 60 1HB ARG 60 -2.007 -2.488 -8.166 411 HG2 ARG 60 2HG ARG 60 -0.287 -3.403 -9.705 412 HG3 ARG 60 1HG ARG 60 0.077 -4.633 -8.501 413 HD2 ARG 60 2HD ARG 60 -2.368 -5.264 -8.587 414 HD3 ARG 60 1HD ARG 60 -2.498 -4.227 -10.005 415 HE ARG 60 HE ARG 60 -0.721 -6.557 -9.806 416 HH11 ARG 60 1HH1 ARG 60 -2.828 -4.491 -11.776 417 HH12 ARG 60 2HH1 ARG 60 -2.751 -5.503 -13.137 418 HH21 ARG 60 1HH2 ARG 60 -0.664 -7.942 -11.699 419 HH22 ARG 60 2HH2 ARG 60 -1.515 -7.481 -13.096 420 H PHE 61 H PHE 61 0.805 -3.005 -5.097 421 HA PHE 61 HA PHE 61 3.208 -4.052 -6.394 422 HB2 PHE 61 2HB PHE 61 3.130 -2.460 -3.824 423 HB3 PHE 61 1HB PHE 61 4.530 -3.364 -4.379 424 HD1 PHE 61 2HD PHE 61 5.850 -2.560 -6.261 425 HD2 PHE 61 1HD PHE 61 2.482 -0.370 -4.854 426 HE1 PHE 61 2HE PHE 61 6.622 -0.580 -7.503 427 HE2 PHE 61 1HE PHE 61 3.249 1.610 -6.089 428 HZ PHE 61 HZ PHE 61 5.321 1.509 -7.416 429 H LEU 62 H LEU 62 3.434 -6.118 -5.994 430 HA LEU 62 HA LEU 62 2.044 -7.370 -3.765 431 HB2 LEU 62 2HB LEU 62 1.942 -8.457 -5.984 432 HB3 LEU 62 1HB LEU 62 3.686 -8.539 -6.035 433 HG LEU 62 HG LEU 62 3.662 -10.133 -4.139 434 HD11 LEU 62 1HD1 LEU 62 1.576 -9.442 -3.073 435 HD12 LEU 62 2HD1 LEU 62 1.574 -11.165 -3.439 436 HD13 LEU 62 3HD1 LEU 62 0.666 -10.051 -4.458 437 HD21 LEU 62 3HD2 LEU 62 3.689 -10.942 -6.441 438 HD22 LEU 62 1HD2 LEU 62 1.928 -10.944 -6.466 439 HD23 LEU 62 2HD2 LEU 62 2.794 -12.038 -5.388 440 H LEU 63 H LEU 63 3.073 -7.529 -1.902 441 HA LEU 63 HA LEU 63 5.872 -6.880 -1.866 442 HB2 LEU 63 2HB LEU 63 4.009 -7.297 0.472 443 HB3 LEU 63 1HB LEU 63 5.661 -6.744 0.576 444 HG LEU 63 HG LEU 63 4.463 -4.809 0.858 445 HD11 LEU 63 1HD1 LEU 63 6.121 -4.417 -0.805 446 HD12 LEU 63 2HD1 LEU 63 4.704 -3.420 -1.128 447 HD13 LEU 63 3HD1 LEU 63 4.997 -4.867 -2.088 448 HD21 LEU 63 3HD2 LEU 63 2.575 -5.609 -1.349 449 HD22 LEU 63 1HD2 LEU 63 2.487 -4.126 -0.401 450 HD23 LEU 63 2HD2 LEU 63 2.238 -5.690 0.382 451 H ASP 64 H ASP 64 7.165 -8.406 -2.304 452 HA ASP 64 HA ASP 64 6.908 -11.052 -1.038 453 HB2 ASP 64 2HB ASP 64 8.632 -11.766 -2.634 454 HB3 ASP 64 1HB ASP 64 7.345 -10.954 -3.512 455 H GLN 65 H GLN 65 7.706 -8.395 0.080 456 HA GLN 65 HA GLN 65 10.552 -8.779 0.659 457 HB2 GLN 65 2HB GLN 65 8.822 -6.319 0.791 458 HB3 GLN 65 1HB GLN 65 10.529 -6.387 1.218 459 HG2 GLN 65 2HG GLN 65 11.179 -6.763 -0.950 460 HG3 GLN 65 1HG GLN 65 9.546 -7.352 -1.299 461 HE21 GLN 65 1HE2 GLN 65 10.041 -4.356 0.398 462 HE22 GLN 65 2HE2 GLN 65 9.570 -3.307 -0.893 463 HA PRO 66 HA PRO 66 9.271 -9.184 4.903 464 HB2 PRO 66 2HB PRO 66 12.072 -8.533 5.513 465 HB3 PRO 66 1HB PRO 66 11.166 -9.997 5.895 466 HG2 PRO 66 2HG PRO 66 13.120 -9.977 4.048 467 HG3 PRO 66 1HG PRO 66 11.678 -11.000 3.886 468 HD2 PRO 66 2HD PRO 66 12.313 -8.395 2.568 469 HD3 PRO 66 1HD PRO 66 11.563 -9.867 1.899 470 H THR 67 H THR 67 10.599 -6.529 3.163 471 HA THR 67 HA THR 67 9.691 -4.675 5.192 472 HB THR 67 HB THR 67 12.581 -4.590 4.239 473 HG1 THR 67 1HG THR 67 11.384 -5.861 6.287 474 HG21 THR 67 3HG2 THR 67 11.626 -2.344 4.620 475 HG22 THR 67 1HG2 THR 67 12.820 -2.752 5.853 476 HG23 THR 67 2HG2 THR 67 11.098 -2.848 6.227 477 H THR 68 H THR 68 8.637 -3.114 4.192 478 HA THR 68 HA THR 68 9.398 -2.261 1.504 479 HB THR 68 HB THR 68 6.647 -2.868 2.620 480 HG1 THR 68 1HG THR 68 7.907 -3.947 0.353 481 HG21 THR 68 3HG2 THR 68 7.381 -1.713 -0.071 482 HG22 THR 68 1HG2 THR 68 6.574 -0.843 1.229 483 HG23 THR 68 2HG2 THR 68 5.758 -2.193 0.437 484 H THR 69 H THR 69 9.285 0.022 1.273 485 HA THR 69 HA THR 69 8.224 1.494 3.569 486 HB THR 69 HB THR 69 10.891 2.087 2.238 487 HG1 THR 69 1HG THR 69 10.155 0.412 4.217 488 HG21 THR 69 3HG2 THR 69 11.182 3.704 4.076 489 HG22 THR 69 1HG2 THR 69 9.576 3.308 4.686 490 HG23 THR 69 2HG2 THR 69 9.756 4.103 3.122 491 H ALA 70 H ALA 70 7.164 3.395 3.041 492 HA ALA 70 HA ALA 70 7.038 4.015 0.167 493 HB1 ALA 70 1HB ALA 70 4.882 4.288 2.271 494 HB2 ALA 70 2HB ALA 70 4.939 3.049 1.018 495 HB3 ALA 70 3HB ALA 70 4.732 4.743 0.573 496 H GLY 71 H GLY 71 7.102 6.186 -0.397 497 HA2 GLY 71 2HA GLY 71 6.982 8.302 1.418 498 HA3 GLY 71 1HA GLY 71 8.662 7.831 1.185 499 H ARG 72 H ARG 72 9.265 9.621 0.105 500 HA ARG 72 HA ARG 72 7.780 10.522 -2.230 501 HB2 ARG 72 2HB ARG 72 9.255 12.447 -2.216 502 HB3 ARG 72 1HB ARG 72 8.640 12.175 -0.590 503 HG2 ARG 72 2HG ARG 72 10.756 11.116 0.040 504 HG3 ARG 72 1HG ARG 72 11.361 11.351 -1.592 505 HD2 ARG 72 2HD ARG 72 11.126 13.801 -1.289 506 HD3 ARG 72 1HD ARG 72 10.627 13.513 0.380 507 HE ARG 72 HE ARG 72 13.080 12.229 -0.171 508 HH11 ARG 72 1HH1 ARG 72 11.807 15.508 0.452 509 HH12 ARG 72 2HH1 ARG 72 13.286 16.068 1.105 510 HH21 ARG 72 1HH2 ARG 72 15.103 13.082 0.735 511 HH22 ARG 72 2HH2 ARG 72 15.142 14.711 1.246 512 H HIS 73 H HIS 73 8.576 10.550 -4.277 513 HA HIS 73 HA HIS 73 9.809 10.153 -6.128 514 HB2 HIS 73 2HB HIS 73 12.186 9.883 -4.257 515 HB3 HIS 73 1HB HIS 73 12.265 10.139 -5.991 516 HD1 HIS 73 1HD HIS 73 13.513 11.989 -3.731 517 HD2 HIS 73 2HD HIS 73 10.025 12.702 -5.873 518 HE1 HIS 73 1HE HIS 73 13.104 14.486 -3.600 519 HA PRO 74 HA PRO 74 10.409 5.689 -6.545 520 HB2 PRO 74 2HB PRO 74 12.667 6.082 -8.402 521 HB3 PRO 74 1HB PRO 74 11.086 5.357 -8.707 522 HG2 PRO 74 2HG PRO 74 11.721 7.745 -9.723 523 HG3 PRO 74 1HG PRO 74 10.083 7.399 -9.141 524 HD2 PRO 74 2HD PRO 74 12.306 8.866 -7.767 525 HD3 PRO 74 1HD PRO 74 10.590 9.317 -7.920 526 H GLU 75 H GLU 75 12.543 7.649 -5.092 527 HA GLU 75 HA GLU 75 14.805 5.946 -4.642 528 HB2 GLU 75 2HB GLU 75 13.734 8.222 -2.945 529 HB3 GLU 75 1HB GLU 75 15.318 7.486 -2.783 530 HG2 GLU 75 2HG GLU 75 15.882 8.289 -5.042 531 HG3 GLU 75 1HG GLU 75 14.314 9.086 -5.121 532 H SER 76 H SER 76 11.740 6.640 -3.108 533 HA SER 76 HA SER 76 12.113 4.801 -0.962 534 HB2 SER 76 2HB SER 76 9.639 6.192 -2.019 535 HB3 SER 76 1HB SER 76 9.772 5.361 -0.468 536 HG SER 76 HG SER 76 10.846 7.809 -1.293 537 H ASP 77 H ASP 77 10.852 2.826 -0.775 538 HA ASP 77 HA ASP 77 11.003 1.269 -3.116 539 HB2 ASP 77 2HB ASP 77 11.389 0.332 -0.885 540 HB3 ASP 77 1HB ASP 77 9.714 0.644 -0.457 541 H ILE 78 H ILE 78 8.262 2.621 -1.371 542 HA ILE 78 HA ILE 78 6.582 2.009 -3.710 543 HB ILE 78 HB ILE 78 5.683 2.824 -0.926 544 HG12 ILE 78 2HG1 ILE 78 6.638 0.591 -0.856 545 HG13 ILE 78 1HG1 ILE 78 4.895 0.507 -0.655 546 HG21 ILE 78 1HG2 ILE 78 4.092 3.514 -2.627 547 HG22 ILE 78 2HG2 ILE 78 3.423 2.193 -1.670 548 HG23 ILE 78 3HG2 ILE 78 4.056 1.877 -3.284 549 HD11 ILE 78 3HD1 ILE 78 5.670 -1.283 -2.069 550 HD12 ILE 78 1HD1 ILE 78 6.443 -0.129 -3.159 551 HD13 ILE 78 2HD1 ILE 78 4.688 -0.161 -3.012 552 H PHE 79 H PHE 79 5.996 3.649 -4.947 553 HA PHE 79 HA PHE 79 6.852 6.330 -4.265 554 HB2 PHE 79 2HB PHE 79 7.437 5.520 -6.480 555 HB3 PHE 79 1HB PHE 79 5.760 5.115 -6.816 556 HD1 PHE 79 1HD PHE 79 8.117 7.910 -6.314 557 HD2 PHE 79 2HD PHE 79 4.250 6.747 -7.653 558 HE1 PHE 79 1HE PHE 79 7.786 10.138 -7.299 559 HE2 PHE 79 2HE PHE 79 3.914 8.971 -8.635 560 HZ PHE 79 HZ PHE 79 5.680 10.672 -8.457 561 H LEU 80 H LEU 80 5.536 7.873 -3.612 562 HA LEU 80 HA LEU 80 2.589 7.698 -4.024 563 HB2 LEU 80 2HB LEU 80 4.080 8.886 -1.673 564 HB3 LEU 80 1HB LEU 80 2.348 8.737 -1.858 565 HG LEU 80 HG LEU 80 4.259 6.436 -1.451 566 HD11 LEU 80 1HD1 LEU 80 2.356 7.793 0.435 567 HD12 LEU 80 2HD1 LEU 80 4.117 7.778 0.539 568 HD13 LEU 80 3HD1 LEU 80 3.201 6.289 0.775 569 HD21 LEU 80 3HD2 LEU 80 2.237 5.096 -1.106 570 HD22 LEU 80 1HD2 LEU 80 2.279 5.781 -2.731 571 HD23 LEU 80 2HD2 LEU 80 1.239 6.496 -1.499 572 H ASP 81 H ASP 81 1.696 9.470 -4.655 573 HA ASP 81 HA ASP 81 3.416 11.807 -5.154 574 HB2 ASP 81 2HB ASP 81 3.124 10.647 -7.279 575 HB3 ASP 81 1HB ASP 81 1.381 10.604 -7.051 576 H ASP 82 H ASP 82 2.703 13.480 -4.148 577 HA ASP 82 HA ASP 82 -0.132 14.145 -3.951 578 HB2 ASP 82 2HB ASP 82 0.736 12.855 -1.780 579 HB3 ASP 82 1HB ASP 82 1.673 14.301 -1.513 580 H VAL 83 H VAL 83 0.141 16.443 -2.587 581 HA VAL 83 HA VAL 83 1.686 18.098 -4.343 582 HB VAL 83 HB VAL 83 0.260 18.829 -1.753 583 HG11 VAL 83 1HG1 VAL 83 1.901 20.515 -2.392 584 HG12 VAL 83 2HG1 VAL 83 0.261 21.127 -2.613 585 HG13 VAL 83 3HG1 VAL 83 1.200 20.602 -4.009 586 HG21 VAL 83 3HG2 VAL 83 -0.721 18.990 -4.607 587 HG22 VAL 83 1HG2 VAL 83 -1.571 19.611 -3.193 588 HG23 VAL 83 2HG2 VAL 83 -1.295 17.880 -3.363 589 H THR 84 H THR 84 1.977 16.821 -1.091 590 HA THR 84 HA THR 84 4.826 17.344 -1.153 591 HB THR 84 HB THR 84 3.222 18.113 1.316 592 HG1 THR 84 1HG THR 84 3.779 19.475 -1.037 593 HG21 THR 84 3HG2 THR 84 5.683 17.566 1.498 594 HG22 THR 84 1HG2 THR 84 5.280 19.227 1.964 595 HG23 THR 84 2HG2 THR 84 5.989 18.896 0.390 596 H VAL 85 H VAL 85 5.674 15.387 -0.753 597 HA VAL 85 HA VAL 85 4.086 13.435 0.757 598 HB VAL 85 HB VAL 85 6.426 12.855 -1.087 599 HG11 VAL 85 1HG1 VAL 85 4.228 11.069 -0.055 600 HG12 VAL 85 2HG1 VAL 85 5.909 11.066 0.472 601 HG13 VAL 85 3HG1 VAL 85 5.502 10.588 -1.176 602 HG21 VAL 85 3HG2 VAL 85 4.800 12.250 -2.828 603 HG22 VAL 85 1HG2 VAL 85 4.704 13.958 -2.401 604 HG23 VAL 85 2HG2 VAL 85 3.492 12.831 -1.795 605 H SER 86 H SER 86 5.197 12.125 2.322 606 HA SER 86 HA SER 86 7.142 13.486 3.869 607 HB2 SER 86 2HB SER 86 6.254 10.609 4.061 608 HB3 SER 86 1HB SER 86 6.898 11.630 5.355 609 HG SER 86 HG SER 86 4.408 11.259 4.621 610 H ARG 87 H ARG 87 9.297 12.747 4.335 611 HA ARG 87 HA ARG 87 10.753 11.744 2.086 612 HB2 ARG 87 2HB ARG 87 12.767 11.869 3.642 613 HB3 ARG 87 1HB ARG 87 11.892 13.367 3.399 614 HG2 ARG 87 2HG ARG 87 12.133 13.496 5.690 615 HG3 ARG 87 1HG ARG 87 10.665 12.573 5.600 616 HD2 ARG 87 2HD ARG 87 11.897 10.490 5.882 617 HD3 ARG 87 1HD ARG 87 13.413 11.393 5.965 618 HE ARG 87 HE ARG 87 11.454 12.308 7.843 619 HH11 ARG 87 1HH1 ARG 87 14.260 10.126 7.495 620 HH12 ARG 87 2HH1 ARG 87 14.278 9.776 9.154 621 HH21 ARG 87 1HH2 ARG 87 11.584 11.819 10.075 622 HH22 ARG 87 2HH2 ARG 87 12.784 10.768 10.650 623 H ARG 88 H ARG 88 9.538 10.373 4.931 624 HA ARG 88 HA ARG 88 9.641 7.744 3.820 625 HB2 ARG 88 2HB ARG 88 10.718 8.451 6.601 626 HB3 ARG 88 1HB ARG 88 10.182 6.838 6.170 627 HG2 ARG 88 2HG ARG 88 11.954 6.687 4.502 628 HG3 ARG 88 1HG ARG 88 12.473 8.323 4.899 629 HD2 ARG 88 2HD ARG 88 13.905 6.680 5.997 630 HD3 ARG 88 1HD ARG 88 12.988 7.604 7.180 631 HE ARG 88 HE ARG 88 11.439 5.520 7.074 632 HH11 ARG 88 1HH1 ARG 88 14.992 5.419 6.905 633 HH12 ARG 88 2HH1 ARG 88 15.113 3.929 7.726 634 HH21 ARG 88 1HH2 ARG 88 11.676 3.410 8.268 635 HH22 ARG 88 2HH2 ARG 88 13.204 2.793 8.474 636 H HIS 89 H HIS 89 7.523 7.205 3.978 637 HA HIS 89 HA HIS 89 5.936 8.983 5.675 638 HB2 HIS 89 2HB HIS 89 5.489 8.792 3.209 639 HB3 HIS 89 1HB HIS 89 5.010 7.125 3.491 640 HD2 HIS 89 2HD HIS 89 2.650 6.870 5.122 641 HE1 HIS 89 1HE HIS 89 1.378 10.750 4.204 642 HE2 HIS 89 2HE HIS 89 0.803 8.639 5.361 643 H ALA 90 H ALA 90 6.154 5.596 4.746 644 HA ALA 90 HA ALA 90 5.436 4.812 7.427 645 HB1 ALA 90 1HB ALA 90 3.246 5.091 6.382 646 HB2 ALA 90 2HB ALA 90 3.585 3.385 6.664 647 HB3 ALA 90 3HB ALA 90 3.739 4.057 5.041 648 H GLU 91 H GLU 91 6.111 2.792 7.839 649 HA GLU 91 HA GLU 91 7.410 1.427 5.616 650 HB2 GLU 91 2HB GLU 91 9.060 0.491 7.251 651 HB3 GLU 91 1HB GLU 91 9.176 2.225 7.034 652 HG2 GLU 91 2HG GLU 91 7.917 2.520 9.156 653 HG3 GLU 91 1HG GLU 91 7.956 0.767 9.370 654 H PHE 92 H PHE 92 6.892 -0.539 5.233 655 HA PHE 92 HA PHE 92 4.881 -1.822 6.932 656 HB2 PHE 92 2HB PHE 92 5.622 -2.366 4.045 657 HB3 PHE 92 1HB PHE 92 4.279 -3.074 4.925 658 HD1 PHE 92 1HD PHE 92 5.570 0.168 3.603 659 HD2 PHE 92 2HD PHE 92 2.167 -2.094 4.782 660 HE1 PHE 92 1HE PHE 92 4.106 1.921 2.705 661 HE2 PHE 92 2HE PHE 92 0.692 -0.338 3.895 662 HZ PHE 92 HZ PHE 92 1.659 1.673 2.852 663 H ARG 93 H ARG 93 5.796 -3.275 8.113 664 HA ARG 93 HA ARG 93 8.245 -4.587 7.161 665 HB2 ARG 93 2HB ARG 93 7.359 -3.964 9.983 666 HB3 ARG 93 1HB ARG 93 8.860 -4.765 9.526 667 HG2 ARG 93 2HG ARG 93 9.686 -2.806 8.465 668 HG3 ARG 93 1HG ARG 93 8.126 -2.002 8.603 669 HD2 ARG 93 2HD ARG 93 9.663 -1.148 10.241 670 HD3 ARG 93 1HD ARG 93 8.348 -2.009 11.032 671 HE ARG 93 HE ARG 93 10.104 -3.925 10.984 672 HH11 ARG 93 1HH1 ARG 93 10.846 -0.497 11.445 673 HH12 ARG 93 2HH1 ARG 93 12.010 -0.791 12.663 674 HH21 ARG 93 1HH2 ARG 93 11.750 -4.317 12.546 675 HH22 ARG 93 2HH2 ARG 93 12.571 -3.001 13.276 676 H ILE 94 H ILE 94 8.095 -6.710 6.950 677 HA ILE 94 HA ILE 94 5.662 -7.961 7.939 678 HB ILE 94 HB ILE 94 7.543 -8.764 5.683 679 HG12 ILE 94 2HG1 ILE 94 5.395 -8.645 4.289 680 HG13 ILE 94 1HG1 ILE 94 4.667 -7.873 5.687 681 HG21 ILE 94 1HG2 ILE 94 5.151 -10.291 6.697 682 HG22 ILE 94 2HG2 ILE 94 6.843 -10.780 6.820 683 HG23 ILE 94 3HG2 ILE 94 6.069 -10.669 5.238 684 HD11 ILE 94 3HD1 ILE 94 6.247 -6.014 5.475 685 HD12 ILE 94 1HD1 ILE 94 5.314 -6.245 3.995 686 HD13 ILE 94 2HD1 ILE 94 6.983 -6.805 4.081 687 H ASN 95 H ASN 95 5.975 -9.016 9.708 688 HA ASN 95 HA ASN 95 8.596 -10.223 10.180 689 HB2 ASN 95 2HB ASN 95 8.507 -9.665 12.505 690 HB3 ASN 95 1HB ASN 95 8.063 -8.191 11.656 691 HD21 ASN 95 1HD2 ASN 95 7.100 -10.632 13.837 692 HD22 ASN 95 2HD2 ASN 95 5.548 -9.973 14.250 693 H GLU 96 H GLU 96 8.530 -12.249 10.432 694 HA GLU 96 HA GLU 96 7.812 -14.424 10.511 695 HB2 GLU 96 2HB GLU 96 6.070 -13.188 12.646 696 HB3 GLU 96 1HB GLU 96 6.187 -14.913 12.362 697 HG2 GLU 96 2HG GLU 96 7.543 -14.282 14.245 698 HG3 GLU 96 1HG GLU 96 8.560 -14.833 12.917 699 H GLY 97 H GLY 97 6.454 -12.815 8.493 700 HA2 GLY 97 2HA GLY 97 4.858 -13.384 6.900 701 HA3 GLY 97 1HA GLY 97 4.211 -14.581 8.009 702 H GLU 98 H GLU 98 4.436 -11.797 9.760 703 HA GLU 98 HA GLU 98 1.629 -11.107 9.318 704 HB2 GLU 98 2HB GLU 98 3.467 -10.401 11.611 705 HB3 GLU 98 1HB GLU 98 1.720 -10.205 11.554 706 HG2 GLU 98 2HG GLU 98 1.433 -12.609 11.493 707 HG3 GLU 98 1HG GLU 98 3.175 -12.828 11.466 708 H PHE 99 H PHE 99 1.117 -8.811 9.228 709 HA PHE 99 HA PHE 99 3.319 -7.315 7.972 710 HB2 PHE 99 2HB PHE 99 0.343 -6.948 7.555 711 HB3 PHE 99 1HB PHE 99 1.645 -6.232 6.612 712 HD1 PHE 99 2HD PHE 99 2.870 -7.576 4.991 713 HD2 PHE 99 1HD PHE 99 -0.351 -9.231 7.214 714 HE1 PHE 99 2HE PHE 99 2.790 -9.486 3.445 715 HE2 PHE 99 1HE PHE 99 -0.444 -11.141 5.670 716 HZ PHE 99 HZ PHE 99 1.130 -11.274 3.785 717 H GLU 100 H GLU 100 4.045 -5.677 9.262 718 HA GLU 100 HA GLU 100 2.092 -4.239 10.938 719 HB2 GLU 100 2HB GLU 100 5.107 -4.318 11.198 720 HB3 GLU 100 1HB GLU 100 4.014 -3.414 12.224 721 HG2 GLU 100 2HG GLU 100 3.033 -5.608 12.921 722 HG3 GLU 100 1HG GLU 100 4.363 -6.384 12.057 723 H VAL 101 H VAL 101 1.954 -2.081 10.671 724 HA VAL 101 HA VAL 101 3.728 -0.864 8.673 725 HB VAL 101 HB VAL 101 0.815 -0.152 9.164 726 HG11 VAL 101 1HG1 VAL 101 1.053 1.297 7.193 727 HG12 VAL 101 2HG1 VAL 101 2.763 0.873 7.094 728 HG13 VAL 101 3HG1 VAL 101 2.157 1.771 8.485 729 HG21 VAL 101 3HG2 VAL 101 0.416 -1.056 6.904 730 HG22 VAL 101 1HG2 VAL 101 0.986 -2.288 8.034 731 HG23 VAL 101 2HG2 VAL 101 2.096 -1.594 6.856 732 H VAL 102 H VAL 102 4.860 0.669 9.506 733 HA VAL 102 HA VAL 102 3.897 1.982 11.962 734 HB VAL 102 HB VAL 102 6.791 1.552 11.137 735 HG11 VAL 102 1HG1 VAL 102 5.632 2.628 13.704 736 HG12 VAL 102 2HG1 VAL 102 6.502 3.552 12.481 737 HG13 VAL 102 3HG1 VAL 102 7.339 2.307 13.408 738 HG21 VAL 102 3HG2 VAL 102 6.930 -0.068 12.982 739 HG22 VAL 102 1HG2 VAL 102 5.778 -0.580 11.749 740 HG23 VAL 102 2HG2 VAL 102 5.196 0.112 13.264 741 H ASP 103 H ASP 103 3.658 4.076 11.816 742 HA ASP 103 HA ASP 103 4.176 5.509 9.381 743 HB2 ASP 103 2HB ASP 103 2.204 6.139 10.678 744 HB3 ASP 103 1HB ASP 103 3.192 6.417 12.104 745 H VAL 104 H VAL 104 5.893 6.647 8.938 746 HA VAL 104 HA VAL 104 7.620 7.500 11.114 747 HB VAL 104 HB VAL 104 9.626 7.037 9.636 748 HG11 VAL 104 1HG1 VAL 104 9.117 5.587 11.507 749 HG12 VAL 104 2HG1 VAL 104 9.679 4.611 10.142 750 HG13 VAL 104 3HG1 VAL 104 7.963 4.687 10.528 751 HG21 VAL 104 3HG2 VAL 104 9.384 5.371 7.849 752 HG22 VAL 104 1HG2 VAL 104 8.436 6.818 7.499 753 HG23 VAL 104 2HG2 VAL 104 7.638 5.364 8.094 754 H GLY 105 H GLY 105 5.544 8.556 9.141 755 HA2 GLY 105 2HA GLY 105 6.962 10.978 8.598 756 HA3 GLY 105 1HA GLY 105 6.440 10.107 7.175 757 H SER 106 H SER 106 5.412 11.674 10.081 758 HA SER 106 HA SER 106 2.663 11.739 9.296 759 HB2 SER 106 2HB SER 106 4.111 13.170 11.518 760 HB3 SER 106 1HB SER 106 2.359 13.052 11.342 761 HG SER 106 HG SER 106 3.455 10.576 11.205 762 H LEU 107 H LEU 107 5.025 13.125 7.806 763 HA LEU 107 HA LEU 107 4.461 15.911 7.660 764 HB2 LEU 107 2HB LEU 107 6.560 14.803 6.833 765 HB3 LEU 107 1HB LEU 107 5.634 13.992 5.612 766 HG LEU 107 HG LEU 107 7.028 15.777 4.704 767 HD11 LEU 107 1HD1 LEU 107 5.395 17.028 3.397 768 HD12 LEU 107 2HD1 LEU 107 4.110 16.363 4.406 769 HD13 LEU 107 3HD1 LEU 107 5.103 15.290 3.417 770 HD21 LEU 107 3HD2 LEU 107 6.535 18.130 5.120 771 HD22 LEU 107 1HD2 LEU 107 7.092 17.290 6.566 772 HD23 LEU 107 2HD2 LEU 107 5.379 17.656 6.365 773 H ASN 108 H ASN 108 3.582 13.114 5.654 774 HA ASN 108 HA ASN 108 1.299 14.676 4.721 775 HB2 ASN 108 2HB ASN 108 2.731 13.823 2.934 776 HB3 ASN 108 1HB ASN 108 2.587 12.186 3.536 777 HD21 ASN 108 1HD2 ASN 108 1.117 14.710 1.702 778 HD22 ASN 108 2HD2 ASN 108 -0.208 13.775 1.098 779 H GLY 109 H GLY 109 2.226 11.905 6.625 780 HA2 GLY 109 2HA GLY 109 0.989 11.253 8.493 781 HA3 GLY 109 1HA GLY 109 -0.397 12.075 7.826 782 H THR 110 H THR 110 0.875 9.132 8.605 783 HA THR 110 HA THR 110 -0.609 7.645 6.621 784 HB THR 110 HB THR 110 0.572 6.638 9.221 785 HG1 THR 110 1HG THR 110 2.291 7.503 8.284 786 HG21 THR 110 3HG2 THR 110 0.777 4.523 7.976 787 HG22 THR 110 1HG2 THR 110 0.064 5.286 6.556 788 HG23 THR 110 2HG2 THR 110 -0.898 5.071 8.017 789 H TYR 111 H TYR 111 -2.741 7.204 6.859 790 HA TYR 111 HA TYR 111 -3.910 7.064 9.539 791 HB2 TYR 111 2HB TYR 111 -4.890 8.485 7.095 792 HB3 TYR 111 1HB TYR 111 -6.089 7.676 8.099 793 HD1 TYR 111 2HD TYR 111 -3.055 9.595 9.147 794 HD2 TYR 111 1HD TYR 111 -7.298 9.436 9.021 795 HE1 TYR 111 2HE TYR 111 -3.168 11.587 10.579 796 HE2 TYR 111 1HE TYR 111 -7.425 11.425 10.453 797 HH TYR 111 HH TYR 111 -4.694 13.355 11.070 798 H VAL 112 H VAL 112 -5.317 5.393 9.828 799 HA VAL 112 HA VAL 112 -5.458 3.461 7.619 800 HB VAL 112 HB VAL 112 -5.034 2.842 10.566 801 HG11 VAL 112 1HG1 VAL 112 -6.448 1.204 9.471 802 HG12 VAL 112 2HG1 VAL 112 -4.870 0.517 9.855 803 HG13 VAL 112 3HG1 VAL 112 -5.245 0.998 8.199 804 HG21 VAL 112 3HG2 VAL 112 -2.864 1.939 9.876 805 HG22 VAL 112 1HG2 VAL 112 -2.989 3.655 9.487 806 HG23 VAL 112 2HG2 VAL 112 -3.172 2.443 8.217 807 H ASN 113 H ASN 113 -7.494 3.111 7.100 808 HA ASN 113 HA ASN 113 -9.695 3.360 7.030 809 HB2 ASN 113 2HB ASN 113 -9.194 1.581 9.314 810 HB3 ASN 113 1HB ASN 113 -10.811 2.281 9.285 811 HD21 ASN 113 1HD2 ASN 113 -8.639 -0.027 7.760 812 HD22 ASN 113 2HD2 ASN 113 -9.809 -0.584 6.646 813 H ARG 114 H ARG 114 -8.800 5.614 7.456 814 HA ARG 114 HA ARG 114 -9.359 7.749 7.902 815 HB2 ARG 114 2HB ARG 114 -11.930 6.667 9.081 816 HB3 ARG 114 1HB ARG 114 -11.651 8.305 8.504 817 HG2 ARG 114 2HG ARG 114 -11.364 7.487 6.238 818 HG3 ARG 114 1HG ARG 114 -11.580 5.829 6.791 819 HD2 ARG 114 2HD ARG 114 -13.638 6.462 5.869 820 HD3 ARG 114 1HD ARG 114 -13.863 6.575 7.613 821 HE ARG 114 HE ARG 114 -13.070 9.069 6.722 822 HH11 ARG 114 1HH1 ARG 114 -15.831 6.854 6.299 823 HH12 ARG 114 2HH1 ARG 114 -16.937 8.099 5.887 824 HH21 ARG 114 1HH2 ARG 114 -14.664 10.770 6.161 825 HH22 ARG 114 2HH2 ARG 114 -16.277 10.339 5.830 826 H GLU 115 H GLU 115 -8.366 5.762 10.145 827 HA GLU 115 HA GLU 115 -8.706 7.668 12.337 828 HB2 GLU 115 2HB GLU 115 -7.831 4.779 12.416 829 HB3 GLU 115 1HB GLU 115 -7.918 5.852 13.801 830 HG2 GLU 115 2HG GLU 115 -10.356 6.049 13.434 831 HG3 GLU 115 1HG GLU 115 -10.203 4.876 12.121 832 HA PRO 116 HA PRO 116 -4.333 8.661 11.864 833 HB2 PRO 116 2HB PRO 116 -4.013 9.620 14.454 834 HB3 PRO 116 1HB PRO 116 -4.610 10.601 13.111 835 HG2 PRO 116 2HG PRO 116 -6.119 9.219 15.282 836 HG3 PRO 116 1HG PRO 116 -6.416 10.804 14.544 837 HD2 PRO 116 2HD PRO 116 -7.874 8.636 13.925 838 HD3 PRO 116 1HD PRO 116 -7.499 9.886 12.720 839 H ARG 117 H ARG 117 -2.762 7.103 12.091 840 HA ARG 117 HA ARG 117 -2.700 5.519 14.513 841 HB2 ARG 117 2HB ARG 117 -4.300 4.438 12.895 842 HB3 ARG 117 1HB ARG 117 -2.960 4.267 11.774 843 HG2 ARG 117 2HG ARG 117 -3.259 2.187 12.847 844 HG3 ARG 117 1HG ARG 117 -1.794 2.911 13.508 845 HD2 ARG 117 2HD ARG 117 -3.103 1.908 15.291 846 HD3 ARG 117 1HD ARG 117 -3.079 3.656 15.485 847 HE ARG 117 HE ARG 117 -5.348 3.742 15.001 848 HH11 ARG 117 1HH1 ARG 117 -4.170 0.410 14.541 849 HH12 ARG 117 2HH1 ARG 117 -5.701 -0.280 14.590 850 HH21 ARG 117 1HH2 ARG 117 -7.461 2.759 15.072 851 HH22 ARG 117 2HH2 ARG 117 -7.630 1.073 14.893 852 H ASN 118 H ASN 118 -0.623 5.080 14.998 853 HA ASN 118 HA ASN 118 1.388 5.773 13.004 854 HB2 ASN 118 2HB ASN 118 1.564 5.651 16.012 855 HB3 ASN 118 1HB ASN 118 2.961 5.880 14.965 856 HD21 ASN 118 1HD2 ASN 118 3.207 7.858 13.898 857 HD22 ASN 118 2HD2 ASN 118 2.274 9.238 14.319 858 H ALA 119 H ALA 119 0.436 3.193 15.181 859 HA ALA 119 HA ALA 119 2.228 1.460 13.636 860 HB1 ALA 119 1HB ALA 119 3.020 1.644 15.956 861 HB2 ALA 119 2HB ALA 119 2.398 0.025 15.644 862 HB3 ALA 119 3HB ALA 119 1.425 1.185 16.546 863 H GLN 120 H GLN 120 1.237 -0.292 12.766 864 HA GLN 120 HA GLN 120 -1.513 -0.889 13.518 865 HB2 GLN 120 2HB GLN 120 -1.846 0.814 11.854 866 HB3 GLN 120 1HB GLN 120 -0.658 0.090 10.789 867 HG2 GLN 120 2HG GLN 120 -2.856 -0.379 9.937 868 HG3 GLN 120 1HG GLN 120 -2.137 -1.874 10.520 869 HE21 GLN 120 1HE2 GLN 120 -4.825 -1.549 10.091 870 HE22 GLN 120 2HE2 GLN 120 -5.675 -1.644 11.587 871 H VAL 121 H VAL 121 -2.095 -2.963 13.100 872 HA VAL 121 HA VAL 121 -0.120 -4.669 11.750 873 HB VAL 121 HB VAL 121 -2.630 -5.469 13.303 874 HG11 VAL 121 1HG1 VAL 121 -0.375 -7.169 12.224 875 HG12 VAL 121 2HG1 VAL 121 -2.018 -7.092 11.588 876 HG13 VAL 121 3HG1 VAL 121 -1.726 -7.755 13.195 877 HG21 VAL 121 3HG2 VAL 121 0.257 -5.613 14.154 878 HG22 VAL 121 1HG2 VAL 121 -1.108 -6.274 15.054 879 HG23 VAL 121 2HG2 VAL 121 -0.968 -4.532 14.813 880 H MET 122 H MET 122 -0.579 -4.904 9.651 881 HA MET 122 HA MET 122 -3.188 -3.879 8.937 882 HB2 MET 122 2HB MET 122 -1.241 -2.718 8.005 883 HB3 MET 122 1HB MET 122 -0.801 -4.173 7.131 884 HG2 MET 122 2HG MET 122 -2.575 -3.994 5.663 885 HG3 MET 122 1HG MET 122 -3.499 -2.972 6.763 886 HE1 MET 122 3HE MET 122 -1.667 -0.735 7.709 887 HE2 MET 122 1HE MET 122 -3.260 -0.436 7.019 888 HE3 MET 122 2HE MET 122 -1.865 0.486 6.461 889 H GLN 123 H GLN 123 -4.627 -4.853 7.855 890 HA GLN 123 HA GLN 123 -4.313 -7.770 7.665 891 HB2 GLN 123 2HB GLN 123 -6.849 -6.260 8.188 892 HB3 GLN 123 1HB GLN 123 -6.527 -7.968 8.449 893 HG2 GLN 123 2HG GLN 123 -4.926 -7.323 10.258 894 HG3 GLN 123 1HG GLN 123 -5.417 -5.654 10.016 895 HE21 GLN 123 1HE2 GLN 123 -6.258 -5.422 12.029 896 HE22 GLN 123 2HE2 GLN 123 -7.690 -6.197 12.543 897 H THR 124 H THR 124 -5.624 -8.796 5.993 898 HA THR 124 HA THR 124 -5.708 -7.331 3.611 899 HB THR 124 HB THR 124 -5.499 -9.797 3.632 900 HG1 THR 124 1HG THR 124 -7.875 -9.146 2.242 901 HG21 THR 124 3HG2 THR 124 -8.405 -9.816 4.469 902 HG22 THR 124 1HG2 THR 124 -7.041 -10.380 5.435 903 HG23 THR 124 2HG2 THR 124 -7.492 -11.236 3.958 904 H GLY 125 H GLY 125 -7.156 -5.982 2.864 905 HA2 GLY 125 2HA GLY 125 -9.374 -5.274 2.417 906 HA3 GLY 125 1HA GLY 125 -9.893 -6.072 3.899 907 H ASP 126 H ASP 126 -7.086 -4.615 4.685 908 HA ASP 126 HA ASP 126 -8.442 -2.497 6.092 909 HB2 ASP 126 2HB ASP 126 -6.495 -3.903 7.012 910 HB3 ASP 126 1HB ASP 126 -5.457 -2.991 5.926 911 H GLU 127 H GLU 127 -7.963 -0.260 5.800 912 HA GLU 127 HA GLU 127 -7.166 0.338 3.026 913 HB2 GLU 127 2HB GLU 127 -9.368 1.697 4.590 914 HB3 GLU 127 1HB GLU 127 -8.909 2.021 2.930 915 HG2 GLU 127 2HG GLU 127 -9.595 -0.280 2.329 916 HG3 GLU 127 1HG GLU 127 -10.148 -0.509 3.989 917 H ILE 128 H ILE 128 -5.800 1.973 2.803 918 HA ILE 128 HA ILE 128 -4.867 3.331 5.244 919 HB ILE 128 HB ILE 128 -3.387 3.189 2.616 920 HG12 ILE 128 2HG1 ILE 128 -3.129 1.180 4.873 921 HG13 ILE 128 1HG1 ILE 128 -3.949 0.862 3.353 922 HG21 ILE 128 1HG2 ILE 128 -2.466 3.492 5.482 923 HG22 ILE 128 2HG2 ILE 128 -2.634 4.792 4.311 924 HG23 ILE 128 3HG2 ILE 128 -1.427 3.529 4.054 925 HD11 ILE 128 3HD1 ILE 128 -1.696 -0.066 3.376 926 HD12 ILE 128 1HD1 ILE 128 -1.033 1.543 3.656 927 HD13 ILE 128 2HD1 ILE 128 -1.862 1.181 2.142 928 H GLN 129 H GLN 129 -5.108 5.477 5.307 929 HA GLN 129 HA GLN 129 -5.891 6.970 2.898 930 HB2 GLN 129 2HB GLN 129 -7.490 7.190 4.707 931 HB3 GLN 129 1HB GLN 129 -6.219 7.561 5.855 932 HG2 GLN 129 2HG GLN 129 -7.334 9.592 5.360 933 HG3 GLN 129 1HG GLN 129 -5.789 9.655 4.533 934 HE21 GLN 129 1HE2 GLN 129 -6.533 11.203 3.078 935 HE22 GLN 129 2HE2 GLN 129 -7.676 10.835 1.856 936 H ILE 130 H ILE 130 -4.214 7.959 1.999 937 HA ILE 130 HA ILE 130 -2.147 9.087 3.741 938 HB ILE 130 HB ILE 130 -1.762 7.783 1.012 939 HG12 ILE 130 2HG1 ILE 130 -0.745 6.951 3.740 940 HG13 ILE 130 1HG1 ILE 130 -2.001 6.142 2.811 941 HG21 ILE 130 1HG2 ILE 130 0.266 9.110 2.800 942 HG22 ILE 130 2HG2 ILE 130 -0.332 9.730 1.261 943 HG23 ILE 130 3HG2 ILE 130 0.616 8.241 1.306 944 HD11 ILE 130 3HD1 ILE 130 0.900 6.388 2.035 945 HD12 ILE 130 1HD1 ILE 130 -0.348 5.577 1.096 946 HD13 ILE 130 2HD1 ILE 130 0.113 4.943 2.674 947 H GLY 131 H GLY 131 -2.184 11.238 3.544 948 HA2 GLY 131 2HA GLY 131 -2.667 13.330 2.750 949 HA3 GLY 131 1HA GLY 131 -2.395 12.662 1.139 950 H LYS 132 H LYS 132 -4.066 12.395 -0.159 951 HA LYS 132 HA LYS 132 -6.755 12.447 1.002 952 HB2 LYS 132 2HB LYS 132 -7.619 13.680 -0.881 953 HB3 LYS 132 1HB LYS 132 -6.293 14.582 -0.191 954 HG2 LYS 132 2HG LYS 132 -6.145 12.905 -2.714 955 HG3 LYS 132 1HG LYS 132 -6.368 14.643 -2.650 956 HD2 LYS 132 2HD LYS 132 -3.939 13.123 -1.705 957 HD3 LYS 132 1HD LYS 132 -4.065 14.086 -3.173 958 HE2 LYS 132 2HE LYS 132 -4.267 15.106 -0.338 959 HE3 LYS 132 1HE LYS 132 -2.903 15.313 -1.430 960 HZ1 LYS 132 3HZ LYS 132 -5.621 16.446 -1.766 961 HZ2 LYS 132 1HZ LYS 132 -4.360 16.586 -2.899 962 HZ3 LYS 132 2HZ LYS 132 -4.207 17.265 -1.359 963 H PHE 133 H PHE 133 -4.651 10.448 -0.228 964 HA PHE 133 HA PHE 133 -6.548 9.229 -2.043 965 HB2 PHE 133 2HB PHE 133 -4.565 8.122 -3.145 966 HB3 PHE 133 1HB PHE 133 -4.754 9.846 -3.402 967 HD1 PHE 133 2HD PHE 133 -2.738 7.227 -1.861 968 HD2 PHE 133 1HD PHE 133 -3.144 11.388 -2.568 969 HE1 PHE 133 2HE PHE 133 -0.397 7.563 -1.213 970 HE2 PHE 133 1HE PHE 133 -0.818 11.741 -1.935 971 HZ PHE 133 HZ PHE 133 0.579 9.831 -1.251 972 H ARG 134 H ARG 134 -6.424 6.860 -2.233 973 HA ARG 134 HA ARG 134 -6.024 5.773 0.458 974 HB2 ARG 134 2HB ARG 134 -8.438 5.260 -1.292 975 HB3 ARG 134 1HB ARG 134 -8.070 4.402 0.190 976 HG2 ARG 134 2HG ARG 134 -9.692 5.960 0.809 977 HG3 ARG 134 1HG ARG 134 -8.179 6.693 1.329 978 HD2 ARG 134 2HD ARG 134 -8.176 8.015 -0.780 979 HD3 ARG 134 1HD ARG 134 -9.765 7.349 -1.152 980 HE ARG 134 HE ARG 134 -9.242 8.823 1.309 981 HH11 ARG 134 1HH1 ARG 134 -11.195 8.422 -1.649 982 HH12 ARG 134 2HH1 ARG 134 -12.250 9.695 -1.286 983 HH21 ARG 134 1HH2 ARG 134 -10.700 10.604 1.759 984 HH22 ARG 134 2HH2 ARG 134 -11.958 10.979 0.681 985 H LEU 135 H LEU 135 -5.216 3.859 0.619 986 HA LEU 135 HA LEU 135 -4.738 2.290 -1.820 987 HB2 LEU 135 2HB LEU 135 -2.973 2.524 0.638 988 HB3 LEU 135 1HB LEU 135 -2.728 1.365 -0.640 989 HG LEU 135 HG LEU 135 -2.357 3.332 -2.190 990 HD11 LEU 135 1HD1 LEU 135 -3.371 5.099 -0.920 991 HD12 LEU 135 2HD1 LEU 135 -1.654 5.446 -1.165 992 HD13 LEU 135 3HD1 LEU 135 -2.225 4.856 0.395 993 HD21 LEU 135 3HD2 LEU 135 -0.532 1.979 -1.357 994 HD22 LEU 135 1HD2 LEU 135 -0.456 2.951 0.112 995 HD23 LEU 135 2HD2 LEU 135 -0.052 3.675 -1.444 996 H VAL 136 H VAL 136 -5.237 0.137 -1.655 997 HA VAL 136 HA VAL 136 -6.444 -0.663 0.906 998 HB VAL 136 HB VAL 136 -7.078 -1.737 -1.874 999 HG11 VAL 136 1HG1 VAL 136 -7.356 -3.431 -0.133 1000 HG12 VAL 136 2HG1 VAL 136 -8.915 -2.943 -0.787 1001 HG13 VAL 136 3HG1 VAL 136 -8.391 -2.336 0.783 1002 HG21 VAL 136 3HG2 VAL 136 -9.251 -0.628 -1.629 1003 HG22 VAL 136 1HG2 VAL 136 -7.932 0.538 -1.564 1004 HG23 VAL 136 2HG2 VAL 136 -8.739 0.033 -0.076 1005 H PHE 137 H PHE 137 -5.597 -2.400 1.880 1006 HA PHE 137 HA PHE 137 -3.307 -3.672 0.576 1007 HB2 PHE 137 2HB PHE 137 -3.040 -2.417 2.742 1008 HB3 PHE 137 1HB PHE 137 -4.093 -3.602 3.492 1009 HD1 PHE 137 1HD PHE 137 -0.804 -2.969 2.052 1010 HD2 PHE 137 2HD PHE 137 -3.273 -5.815 4.027 1011 HE1 PHE 137 1HE PHE 137 1.182 -4.314 2.573 1012 HE2 PHE 137 2HE PHE 137 -1.291 -7.169 4.551 1013 HZ PHE 137 HZ PHE 137 0.941 -6.417 3.829 1014 H LEU 138 H LEU 138 -3.722 -5.655 -0.217 1015 HA LEU 138 HA LEU 138 -5.769 -7.277 1.130 1016 HB2 LEU 138 2HB LEU 138 -5.042 -7.226 -1.802 1017 HB3 LEU 138 1HB LEU 138 -6.152 -8.358 -1.063 1018 HG LEU 138 HG LEU 138 -6.570 -5.373 -1.220 1019 HD11 LEU 138 1HD1 LEU 138 -6.686 -6.417 -3.414 1020 HD12 LEU 138 2HD1 LEU 138 -8.294 -5.928 -2.874 1021 HD13 LEU 138 3HD1 LEU 138 -7.813 -7.624 -2.795 1022 HD21 LEU 138 3HD2 LEU 138 -8.859 -5.898 -0.494 1023 HD22 LEU 138 1HD2 LEU 138 -7.675 -6.373 0.723 1024 HD23 LEU 138 2HD2 LEU 138 -8.411 -7.592 -0.313 1025 H ALA 139 H ALA 139 -5.134 -9.206 1.777 1026 HA ALA 139 HA ALA 139 -2.439 -10.057 0.992 1027 HB1 ALA 139 1HB ALA 139 -3.847 -10.755 3.589 1028 HB2 ALA 139 2HB ALA 139 -2.658 -9.470 3.415 1029 HB3 ALA 139 3HB ALA 139 -2.189 -11.144 3.132 1030 H GLY 140 H GLY 140 -2.380 -11.844 -0.160 1031 HA2 GLY 140 2HA GLY 140 -4.330 -13.908 0.250 1032 HA3 GLY 140 1HA GLY 140 -4.493 -13.061 -1.282 1033 HA PRO 141 HA PRO 141 -1.687 -16.075 -2.825 1034 HB2 PRO 141 2HB PRO 141 -1.108 -14.944 -5.206 1035 HB3 PRO 141 1HB PRO 141 -2.646 -15.733 -4.865 1036 HG2 PRO 141 2HG PRO 141 -1.970 -12.819 -4.863 1037 HG3 PRO 141 1HG PRO 141 -3.420 -13.623 -5.490 1038 HD2 PRO 141 2HD PRO 141 -3.339 -12.343 -3.097 1039 HD3 PRO 141 1HD PRO 141 -4.398 -13.730 -3.411 1040 H ALA 142 H ALA 142 0.482 -16.382 -3.485 1041 HA ALA 142 HA ALA 142 2.330 -14.156 -2.948 1042 HB1 ALA 142 1HB ALA 142 3.805 -15.733 -1.809 1043 HB2 ALA 142 2HB ALA 142 2.650 -17.034 -2.078 1044 HB3 ALA 142 3HB ALA 142 2.231 -15.690 -1.016 1045 H GLU 143 H GLU 143 1.174 -15.362 -5.416 1046 HA GLU 143 HA GLU 143 2.688 -17.179 -6.676 1047 HB2 GLU 143 2HB GLU 143 1.748 -16.132 -8.726 1048 HB3 GLU 143 1HB GLU 143 0.576 -16.625 -7.518 1049 HG2 GLU 143 2HG GLU 143 0.325 -14.312 -6.808 1050 HG3 GLU 143 1HG GLU 143 1.565 -13.813 -7.953 Start of MODEL 11 1 H1 MET 1 1HT MET 1 36.136 4.424 -12.709 2 H2 MET 1 2HT MET 1 35.123 5.359 -11.731 3 H3 MET 1 3HT MET 1 34.457 4.434 -12.930 4 HA MET 1 HA MET 1 35.156 2.415 -11.783 5 HB2 MET 1 2HB MET 1 36.053 2.532 -9.555 6 HB3 MET 1 1HB MET 1 37.080 3.547 -10.549 7 HG2 MET 1 2HG MET 1 34.920 4.476 -8.653 8 HG3 MET 1 1HG MET 1 36.656 4.574 -8.387 9 HE1 MET 1 2HE MET 1 37.725 7.300 -11.001 10 HE2 MET 1 3HE MET 1 37.737 5.551 -11.245 11 HE3 MET 1 1HE MET 1 38.251 6.229 -9.698 12 H SER 2 H SER 2 33.765 1.627 -9.892 13 HA SER 2 HA SER 2 31.378 3.311 -9.715 14 HB2 SER 2 2HB SER 2 31.206 0.972 -10.712 15 HB3 SER 2 1HB SER 2 31.661 0.337 -9.136 16 HG SER 2 HG SER 2 29.312 1.313 -10.062 17 H ASP 3 H ASP 3 30.226 2.618 -7.509 18 HA ASP 3 HA ASP 3 32.017 2.113 -5.342 19 HB2 ASP 3 2HB ASP 3 31.403 4.102 -3.998 20 HB3 ASP 3 1HB ASP 3 32.247 4.563 -5.463 21 H ASN 4 H ASN 4 30.901 1.507 -3.436 22 HA ASN 4 HA ASN 4 28.511 0.068 -4.172 23 HB2 ASN 4 2HB ASN 4 30.310 -1.049 -2.934 24 HB3 ASN 4 1HB ASN 4 30.073 0.058 -1.589 25 HD21 ASN 4 1HD2 ASN 4 29.560 -1.543 -0.129 26 HD22 ASN 4 2HD2 ASN 4 28.104 -2.445 -0.176 27 H ASN 5 H ASN 5 26.507 0.598 -3.698 28 HA ASN 5 HA ASN 5 25.927 2.871 -1.985 29 HB2 ASN 5 2HB ASN 5 24.656 2.603 -4.093 30 HB3 ASN 5 1HB ASN 5 24.084 1.036 -3.547 31 HD21 ASN 5 1HD2 ASN 5 21.944 1.596 -3.654 32 HD22 ASN 5 2HD2 ASN 5 21.186 2.695 -2.574 33 H GLY 6 H GLY 6 25.916 2.506 0.106 34 HA2 GLY 6 2HA GLY 6 25.257 -0.149 1.121 35 HA3 GLY 6 1HA GLY 6 25.943 1.186 2.041 36 H THR 7 H THR 7 24.589 1.722 3.571 37 HA THR 7 HA THR 7 21.736 1.667 3.019 38 HB THR 7 HB THR 7 23.178 2.168 5.637 39 HG1 THR 7 1HG THR 7 22.249 -0.148 4.310 40 HG21 THR 7 3HG2 THR 7 20.839 2.984 5.579 41 HG22 THR 7 1HG2 THR 7 21.001 1.590 6.646 42 HG23 THR 7 2HG2 THR 7 20.303 1.393 5.039 43 HA PRO 8 HA PRO 8 22.271 6.039 2.085 44 HB2 PRO 8 2HB PRO 8 19.325 5.935 1.869 45 HB3 PRO 8 1HB PRO 8 20.517 6.469 0.682 46 HG2 PRO 8 2HG PRO 8 19.259 4.152 0.362 47 HG3 PRO 8 1HG PRO 8 20.984 4.305 -0.022 48 HD2 PRO 8 2HD PRO 8 19.690 3.125 2.409 49 HD3 PRO 8 1HD PRO 8 21.048 2.521 1.424 50 H GLU 9 H GLU 9 21.979 7.916 3.138 51 HA GLU 9 HA GLU 9 21.101 7.847 5.838 52 HB2 GLU 9 2HB GLU 9 22.086 10.092 4.070 53 HB3 GLU 9 1HB GLU 9 21.723 10.272 5.769 54 HG2 GLU 9 2HG GLU 9 24.090 10.116 5.474 55 HG3 GLU 9 1HG GLU 9 23.523 8.673 6.296 56 HA PRO 10 HA PRO 10 17.021 9.431 4.781 57 HB2 PRO 10 2HB PRO 10 16.058 9.624 7.301 58 HB3 PRO 10 1HB PRO 10 16.220 8.063 6.489 59 HG2 PRO 10 2HG PRO 10 17.960 9.317 8.560 60 HG3 PRO 10 1HG PRO 10 17.503 7.618 8.356 61 HD2 PRO 10 2HD PRO 10 19.916 8.716 7.558 62 HD3 PRO 10 1HD PRO 10 19.219 7.222 6.897 63 H GLN 11 H GLN 11 15.968 11.477 4.997 64 HA GLN 11 HA GLN 11 17.758 13.584 5.870 65 HB2 GLN 11 2HB GLN 11 15.165 13.714 4.321 66 HB3 GLN 11 1HB GLN 11 16.189 15.092 4.693 67 HG2 GLN 11 2HG GLN 11 18.008 14.066 3.375 68 HG3 GLN 11 1HG GLN 11 16.928 12.736 2.965 69 HE21 GLN 11 1HE2 GLN 11 17.093 13.215 0.749 70 HE22 GLN 11 2HE2 GLN 11 16.307 14.583 0.071 71 H VAL 12 H VAL 12 16.980 15.278 7.279 72 HA VAL 12 HA VAL 12 14.776 14.373 9.014 73 HB VAL 12 HB VAL 12 17.240 15.960 9.810 74 HG11 VAL 12 1HG1 VAL 12 15.286 16.550 11.140 75 HG12 VAL 12 2HG1 VAL 12 16.467 15.651 12.096 76 HG13 VAL 12 3HG1 VAL 12 15.020 14.841 11.505 77 HG21 VAL 12 3HG2 VAL 12 17.812 13.634 9.352 78 HG22 VAL 12 1HG2 VAL 12 16.521 13.090 10.423 79 HG23 VAL 12 2HG2 VAL 12 17.904 13.965 11.083 80 H GLU 13 H GLU 13 13.077 15.713 9.012 81 HA GLU 13 HA GLU 13 13.407 18.531 8.807 82 HB2 GLU 13 2HB GLU 13 12.082 16.910 6.664 83 HB3 GLU 13 1HB GLU 13 11.508 18.531 7.031 84 HG2 GLU 13 2HG GLU 13 13.750 19.428 6.592 85 HG3 GLU 13 1HG GLU 13 14.329 17.803 6.265 86 H THR 14 H THR 14 11.142 19.565 8.902 87 HA THR 14 HA THR 14 10.128 18.704 11.418 88 HB THR 14 HB THR 14 9.186 20.941 9.632 89 HG1 THR 14 1HG THR 14 11.167 20.971 11.685 90 HG21 THR 14 3HG2 THR 14 8.502 21.956 11.750 91 HG22 THR 14 1HG2 THR 14 9.055 20.529 12.625 92 HG23 THR 14 2HG2 THR 14 7.698 20.404 11.503 93 H TPO 15 H TPO 15 8.517 17.243 11.621 94 HA TPO 15 HA TPO 15 6.405 17.214 9.609 95 HB TPO 15 HB TPO 15 7.428 15.112 11.473 96 HG21 TPO 15 1HG2 TPO 15 5.408 13.701 11.039 97 HG22 TPO 15 2HG2 TPO 15 4.583 15.140 10.410 98 HG23 TPO 15 3HG2 TPO 15 5.094 15.078 12.088 99 H SER 16 H SER 16 4.662 18.364 10.001 100 HA SER 16 HA SER 16 3.461 18.233 12.653 101 HB2 SER 16 2HB SER 16 3.313 20.608 10.767 102 HB3 SER 16 1HB SER 16 2.804 20.545 12.450 103 HG SER 16 HG SER 16 5.128 21.216 11.428 104 H VAL 17 H VAL 17 1.209 17.816 12.481 105 HA VAL 17 HA VAL 17 0.452 16.648 9.925 106 HB VAL 17 HB VAL 17 -1.104 16.681 12.520 107 HG11 VAL 17 1HG1 VAL 17 -2.459 16.105 10.596 108 HG12 VAL 17 2HG1 VAL 17 -2.223 14.694 11.624 109 HG13 VAL 17 3HG1 VAL 17 -1.303 14.858 10.130 110 HG21 VAL 17 3HG2 VAL 17 -0.177 14.439 12.959 111 HG22 VAL 17 1HG2 VAL 17 1.076 15.680 12.932 112 HG23 VAL 17 2HG2 VAL 17 0.864 14.608 11.549 113 H PHE 18 H PHE 18 -0.959 17.597 8.515 114 HA PHE 18 HA PHE 18 -2.331 19.983 9.464 115 HB2 PHE 18 2HB PHE 18 -2.824 20.466 7.048 116 HB3 PHE 18 1HB PHE 18 -1.111 20.397 7.401 117 HD1 PHE 18 2HD PHE 18 -3.924 18.713 5.719 118 HD2 PHE 18 1HD PHE 18 0.283 18.720 6.372 119 HE1 PHE 18 2HE PHE 18 -3.633 17.144 3.847 120 HE2 PHE 18 1HE PHE 18 0.579 17.158 4.494 121 HZ PHE 18 HZ PHE 18 -1.384 16.365 3.232 122 H ARG 19 H ARG 19 -4.475 20.099 9.694 123 HA ARG 19 HA ARG 19 -5.969 17.664 8.995 124 HB2 ARG 19 2HB ARG 19 -6.348 19.491 11.385 125 HB3 ARG 19 1HB ARG 19 -7.592 18.390 10.845 126 HG2 ARG 19 2HG ARG 19 -6.457 17.419 12.716 127 HG3 ARG 19 1HG ARG 19 -6.044 16.498 11.279 128 HD2 ARG 19 2HD ARG 19 -4.098 16.821 12.699 129 HD3 ARG 19 1HD ARG 19 -3.890 17.656 11.164 130 HE ARG 19 HE ARG 19 -4.748 19.663 12.573 131 HH11 ARG 19 1HH1 ARG 19 -2.579 17.137 13.770 132 HH12 ARG 19 2HH1 ARG 19 -1.653 18.190 14.741 133 HH21 ARG 19 1HH2 ARG 19 -3.495 21.096 13.927 134 HH22 ARG 19 2HH2 ARG 19 -2.183 20.497 14.823 135 H ALA 20 H ALA 20 -6.635 18.388 6.993 136 HA ALA 20 HA ALA 20 -8.910 20.158 7.083 137 HB1 ALA 20 1HB ALA 20 -7.064 21.769 6.796 138 HB2 ALA 20 2HB ALA 20 -8.153 21.743 5.413 139 HB3 ALA 20 3HB ALA 20 -6.582 20.945 5.317 140 H ASP 21 H ASP 21 -7.029 19.448 4.387 141 HA ASP 21 HA ASP 21 -9.078 18.632 2.652 142 HB2 ASP 21 2HB ASP 21 -6.931 19.240 1.782 143 HB3 ASP 21 1HB ASP 21 -6.158 17.895 2.615 144 H LEU 22 H LEU 22 -7.193 16.755 4.810 145 HA LEU 22 HA LEU 22 -7.604 14.136 3.964 146 HB2 LEU 22 2HB LEU 22 -7.288 15.132 6.771 147 HB3 LEU 22 1HB LEU 22 -6.992 13.499 6.210 148 HG LEU 22 HG LEU 22 -5.434 15.940 5.359 149 HD11 LEU 22 1HD1 LEU 22 -5.009 15.416 7.656 150 HD12 LEU 22 2HD1 LEU 22 -3.620 14.943 6.678 151 HD13 LEU 22 3HD1 LEU 22 -4.750 13.720 7.267 152 HD21 LEU 22 3HD2 LEU 22 -3.893 14.324 4.365 153 HD22 LEU 22 1HD2 LEU 22 -5.486 14.243 3.616 154 HD23 LEU 22 2HD2 LEU 22 -4.996 13.012 4.781 155 H LEU 23 H LEU 23 -9.951 16.204 5.245 156 HA LEU 23 HA LEU 23 -11.524 14.250 6.648 157 HB2 LEU 23 2HB LEU 23 -11.400 16.685 7.196 158 HB3 LEU 23 1HB LEU 23 -12.256 17.023 5.711 159 HG LEU 23 HG LEU 23 -14.176 15.690 6.605 160 HD11 LEU 23 1HD1 LEU 23 -12.985 14.340 8.230 161 HD12 LEU 23 2HD1 LEU 23 -14.247 15.278 9.021 162 HD13 LEU 23 3HD1 LEU 23 -12.564 15.786 9.150 163 HD21 LEU 23 3HD2 LEU 23 -14.946 17.461 8.107 164 HD22 LEU 23 1HD2 LEU 23 -14.147 18.129 6.684 165 HD23 LEU 23 2HD2 LEU 23 -13.298 18.079 8.228 166 H LYS 24 H LYS 24 -11.122 15.136 3.371 167 HA LYS 24 HA LYS 24 -13.748 15.017 2.397 168 HB2 LYS 24 2HB LYS 24 -11.134 14.548 1.003 169 HB3 LYS 24 1HB LYS 24 -12.679 14.650 0.166 170 HG2 LYS 24 2HG LYS 24 -12.995 16.904 0.873 171 HG3 LYS 24 1HG LYS 24 -11.594 16.816 1.942 172 HD2 LYS 24 2HD LYS 24 -10.138 16.520 0.016 173 HD3 LYS 24 1HD LYS 24 -11.536 16.594 -1.059 174 HE2 LYS 24 2HE LYS 24 -11.991 18.867 -0.366 175 HE3 LYS 24 1HE LYS 24 -10.697 18.786 0.829 176 HZ1 LYS 24 3HZ LYS 24 -10.305 18.559 -2.106 177 HZ2 LYS 24 1HZ LYS 24 -9.117 18.517 -0.916 178 HZ3 LYS 24 2HZ LYS 24 -9.976 19.942 -1.176 179 H GLU 25 H GLU 25 -11.431 12.373 2.778 180 HA GLU 25 HA GLU 25 -13.088 10.543 1.358 181 HB2 GLU 25 2HB GLU 25 -10.632 10.152 3.022 182 HB3 GLU 25 1HB GLU 25 -11.579 8.769 2.487 183 HG2 GLU 25 2HG GLU 25 -10.348 10.849 0.701 184 HG3 GLU 25 1HG GLU 25 -9.683 9.245 1.019 185 H MET 26 H MET 26 -13.334 11.756 4.477 186 HA MET 26 HA MET 26 -14.327 9.535 5.904 187 HB2 MET 26 2HB MET 26 -13.730 11.665 6.980 188 HB3 MET 26 1HB MET 26 -15.089 12.443 6.181 189 HG2 MET 26 2HG MET 26 -16.623 10.959 7.411 190 HG3 MET 26 1HG MET 26 -15.241 10.257 8.250 191 HE1 MET 26 3HE MET 26 -17.465 13.440 7.721 192 HE2 MET 26 1HE MET 26 -15.879 14.043 7.241 193 HE3 MET 26 2HE MET 26 -16.637 14.638 8.712 194 H GLU 27 H GLU 27 -15.774 11.630 3.582 195 HA GLU 27 HA GLU 27 -18.490 10.981 4.022 196 HB2 GLU 27 2HB GLU 27 -17.030 12.114 1.656 197 HB3 GLU 27 1HB GLU 27 -18.781 11.953 1.736 198 HG2 GLU 27 2HG GLU 27 -17.124 13.513 3.697 199 HG3 GLU 27 1HG GLU 27 -17.948 14.212 2.304 200 H SER 28 H SER 28 -15.935 9.222 2.586 201 HA SER 28 HA SER 28 -17.567 7.764 0.746 202 HB2 SER 28 2HB SER 28 -15.143 8.194 0.326 203 HB3 SER 28 1HB SER 28 -14.742 7.189 1.716 204 HG SER 28 HG SER 28 -16.236 6.293 -0.510 205 H SER 29 H SER 29 -16.893 7.615 4.120 206 HA SER 29 HA SER 29 -17.132 4.864 4.622 207 HB2 SER 29 2HB SER 29 -17.937 7.189 6.387 208 HB3 SER 29 1HB SER 29 -17.626 5.536 6.914 209 HG SER 29 HG SER 29 -15.921 7.214 7.078 210 H THR 30 H THR 30 -19.459 7.348 4.001 211 HA THR 30 HA THR 30 -21.689 5.858 4.970 212 HB THR 30 HB THR 30 -21.744 8.288 3.189 213 HG1 THR 30 1HG THR 30 -21.176 8.019 5.961 214 HG21 THR 30 3HG2 THR 30 -23.865 7.124 3.786 215 HG22 THR 30 1HG2 THR 30 -23.771 8.759 4.443 216 HG23 THR 30 2HG2 THR 30 -23.481 7.374 5.490 217 H GLY 31 H GLY 31 -22.277 4.103 3.795 218 HA2 GLY 31 2HA GLY 31 -23.664 3.538 1.910 219 HA3 GLY 31 1HA GLY 31 -22.587 4.489 0.898 220 H THR 32 H THR 32 -20.337 3.640 0.707 221 HA THR 32 HA THR 32 -20.574 0.749 0.409 222 HB THR 32 HB THR 32 -18.751 2.648 -1.076 223 HG1 THR 32 1HG THR 32 -20.801 3.155 -1.656 224 HG21 THR 32 3HG2 THR 32 -18.001 0.290 -1.067 225 HG22 THR 32 1HG2 THR 32 -18.560 0.765 -2.670 226 HG23 THR 32 2HG2 THR 32 -19.591 -0.218 -1.634 227 H ALA 33 H ALA 33 -19.419 -0.427 1.739 228 HA ALA 33 HA ALA 33 -16.757 0.507 2.536 229 HB1 ALA 33 1HB ALA 33 -18.246 0.617 4.478 230 HB2 ALA 33 2HB ALA 33 -17.079 -0.689 4.685 231 HB3 ALA 33 3HB ALA 33 -18.739 -1.054 4.215 232 HA PRO 34 HA PRO 34 -15.614 -3.368 0.590 233 HB2 PRO 34 2HB PRO 34 -13.120 -3.633 1.703 234 HB3 PRO 34 1HB PRO 34 -13.457 -2.576 0.330 235 HG2 PRO 34 2HG PRO 34 -13.190 -1.897 3.222 236 HG3 PRO 34 1HG PRO 34 -12.603 -1.008 1.805 237 HD2 PRO 34 2HD PRO 34 -14.844 -0.300 3.150 238 HD3 PRO 34 1HD PRO 34 -14.666 -0.047 1.397 239 H ALA 35 H ALA 35 -15.291 -5.542 1.232 240 HA ALA 35 HA ALA 35 -15.699 -6.037 4.074 241 HB1 ALA 35 1HB ALA 35 -17.871 -6.111 2.969 242 HB2 ALA 35 2HB ALA 35 -17.391 -7.714 3.524 243 HB3 ALA 35 3HB ALA 35 -17.254 -7.291 1.817 244 H SER 36 H SER 36 -15.418 -8.403 4.551 245 HA SER 36 HA SER 36 -12.910 -9.292 3.845 246 HB2 SER 36 2HB SER 36 -14.029 -11.475 4.789 247 HB3 SER 36 1HB SER 36 -13.723 -10.079 5.836 248 HG SER 36 HG SER 36 -15.751 -10.181 6.212 249 H THR 37 H THR 37 -12.196 -10.769 2.327 250 HA THR 37 HA THR 37 -14.163 -11.339 0.208 251 HB THR 37 HB THR 37 -11.225 -10.750 -0.222 252 HG1 THR 37 1HG THR 37 -13.024 -9.104 0.703 253 HG21 THR 37 3HG2 THR 37 -12.424 -11.849 -2.103 254 HG22 THR 37 1HG2 THR 37 -11.975 -10.190 -2.506 255 HG23 THR 37 2HG2 THR 37 -13.638 -10.570 -2.059 256 H GLY 38 H GLY 38 -12.366 -12.907 2.531 257 HA2 GLY 38 2HA GLY 38 -12.106 -15.227 2.681 258 HA3 GLY 38 1HA GLY 38 -12.250 -15.346 0.923 259 H ALA 39 H ALA 39 -10.486 -12.834 2.066 260 HA ALA 39 HA ALA 39 -8.081 -13.855 0.908 261 HB1 ALA 39 1HB ALA 39 -8.842 -11.136 1.927 262 HB2 ALA 39 2HB ALA 39 -8.957 -11.692 0.261 263 HB3 ALA 39 3HB ALA 39 -7.375 -11.521 1.025 264 H GLU 40 H GLU 40 -9.592 -13.651 3.768 265 HA GLU 40 HA GLU 40 -7.673 -12.828 5.683 266 HB2 GLU 40 2HB GLU 40 -10.046 -14.636 6.054 267 HB3 GLU 40 1HB GLU 40 -9.200 -13.764 7.312 268 HG2 GLU 40 2HG GLU 40 -11.188 -12.753 6.901 269 HG3 GLU 40 1HG GLU 40 -9.985 -11.617 6.258 270 H ASN 41 H ASN 41 -8.066 -15.498 3.970 271 HA ASN 41 HA ASN 41 -6.813 -17.523 5.634 272 HB2 ASN 41 2HB ASN 41 -8.358 -18.215 3.848 273 HB3 ASN 41 1HB ASN 41 -7.328 -17.459 2.650 274 HD21 ASN 41 1HD2 ASN 41 -6.214 -19.501 5.363 275 HD22 ASN 41 2HD2 ASN 41 -5.561 -20.728 4.338 276 H LEU 42 H LEU 42 -5.790 -14.990 3.530 277 HA LEU 42 HA LEU 42 -3.846 -14.335 2.619 278 HB2 LEU 42 2HB LEU 42 -3.031 -15.849 4.994 279 HB3 LEU 42 1HB LEU 42 -1.713 -15.346 3.927 280 HG LEU 42 HG LEU 42 -1.873 -13.833 5.802 281 HD11 LEU 42 1HD1 LEU 42 -1.360 -12.770 3.709 282 HD12 LEU 42 2HD1 LEU 42 -2.286 -11.692 4.751 283 HD13 LEU 42 3HD1 LEU 42 -3.077 -12.501 3.398 284 HD21 LEU 42 3HD2 LEU 42 -4.157 -14.309 6.509 285 HD22 LEU 42 1HD2 LEU 42 -4.781 -13.454 5.100 286 HD23 LEU 42 2HD2 LEU 42 -3.901 -12.571 6.349 287 HA PRO 43 HA PRO 43 -4.191 -18.405 0.335 288 HB2 PRO 43 2HB PRO 43 -4.193 -17.168 -2.136 289 HB3 PRO 43 1HB PRO 43 -5.627 -17.583 -1.191 290 HG2 PRO 43 2HG PRO 43 -4.163 -14.985 -1.378 291 HG3 PRO 43 1HG PRO 43 -5.912 -15.278 -1.390 292 HD2 PRO 43 2HD PRO 43 -4.718 -14.405 0.787 293 HD3 PRO 43 1HD PRO 43 -5.969 -15.661 0.911 294 H ALA 44 H ALA 44 -2.273 -15.752 -0.997 295 HA ALA 44 HA ALA 44 -0.382 -17.644 -2.090 296 HB1 ALA 44 1HB ALA 44 0.678 -15.730 -3.150 297 HB2 ALA 44 2HB ALA 44 -0.331 -14.633 -2.204 298 HB3 ALA 44 3HB ALA 44 -1.069 -15.697 -3.403 299 H GLY 45 H GLY 45 -0.668 -15.983 0.827 300 HA2 GLY 45 2HA GLY 45 0.818 -16.108 2.648 301 HA3 GLY 45 1HA GLY 45 2.098 -16.599 1.542 302 H SER 46 H SER 46 0.949 -14.272 -0.109 303 HA SER 46 HA SER 46 2.247 -12.044 1.255 304 HB2 SER 46 2HB SER 46 2.299 -12.673 -1.720 305 HB3 SER 46 1HB SER 46 3.138 -11.348 -0.910 306 HG SER 46 HG SER 46 4.625 -12.685 -0.206 307 H ALA 47 H ALA 47 1.312 -9.948 0.344 308 HA ALA 47 HA ALA 47 -1.334 -10.272 -0.770 309 HB1 ALA 47 1HB ALA 47 -1.670 -10.316 1.649 310 HB2 ALA 47 2HB ALA 47 -2.318 -8.830 0.949 311 HB3 ALA 47 3HB ALA 47 -0.776 -8.806 1.803 312 H LEU 48 H LEU 48 -2.196 -8.154 -1.499 313 HA LEU 48 HA LEU 48 0.021 -6.419 -2.135 314 HB2 LEU 48 2HB LEU 48 -0.848 -6.074 -4.423 315 HB3 LEU 48 1HB LEU 48 -0.285 -7.690 -4.136 316 HG LEU 48 HG LEU 48 -2.148 -7.764 -5.600 317 HD11 LEU 48 1HD1 LEU 48 -2.075 -9.619 -4.128 318 HD12 LEU 48 2HD1 LEU 48 -3.740 -9.216 -4.536 319 HD13 LEU 48 3HD1 LEU 48 -3.096 -8.780 -2.957 320 HD21 LEU 48 3HD2 LEU 48 -3.234 -5.656 -5.148 321 HD22 LEU 48 1HD2 LEU 48 -3.768 -6.234 -3.568 322 HD23 LEU 48 2HD2 LEU 48 -4.412 -6.965 -5.036 323 H LEU 49 H LEU 49 -0.398 -4.295 -2.460 324 HA LEU 49 HA LEU 49 -3.019 -3.475 -1.516 325 HB2 LEU 49 2HB LEU 49 -1.954 -1.338 -0.759 326 HB3 LEU 49 1HB LEU 49 -1.433 -2.736 0.132 327 HG LEU 49 HG LEU 49 0.651 -2.648 -1.442 328 HD11 LEU 49 1HD1 LEU 49 -0.314 0.191 -1.684 329 HD12 LEU 49 2HD1 LEU 49 -0.174 -0.984 -2.993 330 HD13 LEU 49 3HD1 LEU 49 1.274 -0.409 -2.165 331 HD21 LEU 49 3HD2 LEU 49 0.200 -0.608 0.730 332 HD22 LEU 49 1HD2 LEU 49 1.770 -1.122 0.114 333 HD23 LEU 49 2HD2 LEU 49 0.727 -2.275 0.953 334 H VAL 50 H VAL 50 -4.202 -2.241 -2.733 335 HA VAL 50 HA VAL 50 -3.013 -1.465 -5.290 336 HB VAL 50 HB VAL 50 -4.811 -3.136 -5.541 337 HG11 VAL 50 1HG1 VAL 50 -6.627 -1.121 -4.245 338 HG12 VAL 50 2HG1 VAL 50 -6.143 -2.682 -3.585 339 HG13 VAL 50 3HG1 VAL 50 -7.148 -2.611 -5.033 340 HG21 VAL 50 3HG2 VAL 50 -4.511 -1.541 -7.350 341 HG22 VAL 50 1HG2 VAL 50 -5.614 -0.413 -6.565 342 HG23 VAL 50 2HG2 VAL 50 -6.219 -1.949 -7.185 343 H VAL 51 H VAL 51 -3.056 0.594 -5.915 344 HA VAL 51 HA VAL 51 -3.990 2.546 -3.959 345 HB VAL 51 HB VAL 51 -2.774 3.105 -6.663 346 HG11 VAL 51 1HG1 VAL 51 -2.018 5.194 -5.610 347 HG12 VAL 51 2HG1 VAL 51 -2.794 4.701 -4.105 348 HG13 VAL 51 3HG1 VAL 51 -3.772 5.011 -5.537 349 HG21 VAL 51 3HG2 VAL 51 -1.229 2.619 -4.111 350 HG22 VAL 51 1HG2 VAL 51 -0.551 3.223 -5.621 351 HG23 VAL 51 2HG2 VAL 51 -1.224 1.595 -5.548 352 H LYS 52 H LYS 52 -5.950 3.214 -4.054 353 HA LYS 52 HA LYS 52 -7.483 2.797 -6.489 354 HB2 LYS 52 2HB LYS 52 -8.367 3.488 -3.696 355 HB3 LYS 52 1HB LYS 52 -9.463 3.340 -5.059 356 HG2 LYS 52 2HG LYS 52 -7.711 1.137 -3.965 357 HG3 LYS 52 1HG LYS 52 -9.439 1.317 -3.670 358 HD2 LYS 52 2HD LYS 52 -8.147 0.842 -6.381 359 HD3 LYS 52 1HD LYS 52 -8.960 -0.370 -5.401 360 HE2 LYS 52 2HE LYS 52 -11.065 0.887 -5.581 361 HE3 LYS 52 1HE LYS 52 -10.244 2.110 -6.549 362 HZ1 LYS 52 3HZ LYS 52 -11.475 0.581 -7.917 363 HZ2 LYS 52 1HZ LYS 52 -10.626 -0.729 -7.296 364 HZ3 LYS 52 2HZ LYS 52 -9.820 0.408 -8.234 365 H ARG 53 H ARG 53 -6.230 5.363 -4.548 366 HA ARG 53 HA ARG 53 -7.061 7.204 -6.631 367 HB2 ARG 53 2HB ARG 53 -8.875 7.292 -4.920 368 HB3 ARG 53 1HB ARG 53 -7.690 7.775 -3.726 369 HG2 ARG 53 2HG ARG 53 -8.866 9.735 -4.418 370 HG3 ARG 53 1HG ARG 53 -7.241 9.825 -5.079 371 HD2 ARG 53 2HD ARG 53 -9.691 8.934 -6.638 372 HD3 ARG 53 1HD ARG 53 -9.054 10.560 -6.668 373 HE ARG 53 HE ARG 53 -7.951 8.178 -7.939 374 HH11 ARG 53 1HH1 ARG 53 -7.586 11.663 -7.311 375 HH12 ARG 53 2HH1 ARG 53 -6.441 11.908 -8.535 376 HH21 ARG 53 1HH2 ARG 53 -6.406 8.548 -9.682 377 HH22 ARG 53 2HH2 ARG 53 -5.756 10.101 -9.904 378 H GLY 54 H GLY 54 -5.689 8.865 -6.943 379 HA2 GLY 54 2HA GLY 54 -4.018 10.367 -5.859 380 HA3 GLY 54 1HA GLY 54 -3.225 8.866 -5.362 381 HA PRO 55 HA PRO 55 -1.930 10.242 -9.813 382 HB2 PRO 55 2HB PRO 55 0.669 10.282 -8.325 383 HB3 PRO 55 1HB PRO 55 0.147 11.271 -9.695 384 HG2 PRO 55 2HG PRO 55 0.102 12.334 -7.301 385 HG3 PRO 55 1HG PRO 55 -1.287 12.567 -8.383 386 HD2 PRO 55 2HD PRO 55 -1.005 10.718 -6.043 387 HD3 PRO 55 1HD PRO 55 -2.390 11.710 -6.538 388 H ASN 56 H ASN 56 -0.613 7.998 -7.359 389 HA ASN 56 HA ASN 56 0.254 6.193 -9.485 390 HB2 ASN 56 2HB ASN 56 0.609 6.159 -6.507 391 HB3 ASN 56 1HB ASN 56 0.839 4.681 -7.432 392 HD21 ASN 56 1HD2 ASN 56 2.096 7.849 -6.741 393 HD22 ASN 56 2HD2 ASN 56 3.616 7.592 -7.513 394 H ALA 57 H ALA 57 -2.696 6.805 -8.700 395 HA ALA 57 HA ALA 57 -3.783 4.400 -7.707 396 HB1 ALA 57 1HB ALA 57 -5.133 6.454 -9.429 397 HB2 ALA 57 2HB ALA 57 -5.006 6.518 -7.672 398 HB3 ALA 57 3HB ALA 57 -5.924 5.223 -8.448 399 H GLY 58 H GLY 58 -4.678 2.698 -8.664 400 HA2 GLY 58 2HA GLY 58 -5.463 1.498 -10.543 401 HA3 GLY 58 1HA GLY 58 -4.418 2.474 -11.572 402 H ALA 59 H ALA 59 -2.265 2.159 -9.479 403 HA ALA 59 HA ALA 59 -1.248 -0.338 -10.560 404 HB1 ALA 59 1HB ALA 59 0.128 1.760 -8.877 405 HB2 ALA 59 2HB ALA 59 0.192 1.648 -10.636 406 HB3 ALA 59 3HB ALA 59 0.902 0.373 -9.645 407 H ARG 60 H ARG 60 -0.493 -2.029 -9.270 408 HA ARG 60 HA ARG 60 -1.248 -1.858 -6.472 409 HB2 ARG 60 2HB ARG 60 -1.934 -4.259 -6.486 410 HB3 ARG 60 1HB ARG 60 -2.958 -3.257 -7.485 411 HG2 ARG 60 2HG ARG 60 -2.681 -5.299 -8.650 412 HG3 ARG 60 1HG ARG 60 -1.639 -4.146 -9.481 413 HD2 ARG 60 2HD ARG 60 0.299 -5.049 -8.290 414 HD3 ARG 60 1HD ARG 60 -0.742 -6.168 -7.416 415 HE ARG 60 HE ARG 60 -1.273 -6.998 -9.805 416 HH11 ARG 60 1HH1 ARG 60 1.937 -5.813 -8.778 417 HH12 ARG 60 2HH1 ARG 60 2.764 -6.869 -9.827 418 HH21 ARG 60 1HH2 ARG 60 -0.091 -8.406 -11.178 419 HH22 ARG 60 2HH2 ARG 60 1.621 -8.338 -11.225 420 H PHE 61 H PHE 61 0.101 -2.767 -5.005 421 HA PHE 61 HA PHE 61 2.672 -3.667 -6.114 422 HB2 PHE 61 2HB PHE 61 2.192 -2.030 -3.608 423 HB3 PHE 61 1HB PHE 61 3.756 -2.635 -4.132 424 HD1 PHE 61 1HD PHE 61 4.852 -1.670 -6.121 425 HD2 PHE 61 2HD PHE 61 1.199 -0.089 -4.608 426 HE1 PHE 61 1HE PHE 61 5.197 0.386 -7.431 427 HE2 PHE 61 2HE PHE 61 1.540 1.964 -5.915 428 HZ PHE 61 HZ PHE 61 3.540 2.204 -7.327 429 H LEU 62 H LEU 62 3.304 -5.630 -5.471 430 HA LEU 62 HA LEU 62 1.690 -6.990 -3.468 431 HB2 LEU 62 2HB LEU 62 1.993 -8.041 -5.692 432 HB3 LEU 62 1HB LEU 62 3.724 -7.998 -5.476 433 HG LEU 62 HG LEU 62 3.518 -9.631 -3.621 434 HD11 LEU 62 1HD1 LEU 62 1.264 -9.113 -2.876 435 HD12 LEU 62 2HD1 LEU 62 1.412 -10.821 -3.295 436 HD13 LEU 62 3HD1 LEU 62 0.611 -9.710 -4.401 437 HD21 LEU 62 3HD2 LEU 62 3.984 -10.425 -5.862 438 HD22 LEU 62 1HD2 LEU 62 2.256 -10.465 -6.226 439 HD23 LEU 62 2HD2 LEU 62 2.929 -11.557 -5.019 440 H LEU 63 H LEU 63 2.588 -7.640 -1.552 441 HA LEU 63 HA LEU 63 5.251 -6.594 -1.081 442 HB2 LEU 63 2HB LEU 63 3.188 -7.600 0.873 443 HB3 LEU 63 1HB LEU 63 4.729 -6.886 1.310 444 HG LEU 63 HG LEU 63 2.429 -5.478 -0.062 445 HD11 LEU 63 1HD1 LEU 63 3.581 -5.082 2.686 446 HD12 LEU 63 2HD1 LEU 63 2.093 -5.941 2.324 447 HD13 LEU 63 3HD1 LEU 63 2.221 -4.214 1.974 448 HD21 LEU 63 3HD2 LEU 63 5.126 -4.404 0.777 449 HD22 LEU 63 1HD2 LEU 63 3.773 -3.432 0.198 450 HD23 LEU 63 2HD2 LEU 63 4.541 -4.593 -0.876 451 H ASP 64 H ASP 64 6.715 -7.895 -1.649 452 HA ASP 64 HA ASP 64 6.660 -10.758 -0.857 453 HB2 ASP 64 2HB ASP 64 8.309 -9.435 -3.039 454 HB3 ASP 64 1HB ASP 64 8.263 -11.145 -2.664 455 H GLN 65 H GLN 65 7.869 -7.746 -0.281 456 HA GLN 65 HA GLN 65 10.510 -8.664 0.497 457 HB2 GLN 65 2HB GLN 65 11.235 -6.328 0.338 458 HB3 GLN 65 1HB GLN 65 10.542 -6.858 -1.170 459 HG2 GLN 65 2HG GLN 65 8.972 -5.224 0.822 460 HG3 GLN 65 1HG GLN 65 10.024 -4.480 -0.365 461 HE21 GLN 65 1HE2 GLN 65 8.343 -3.380 -1.371 462 HE22 GLN 65 2HE2 GLN 65 7.100 -4.189 -2.270 463 HA PRO 66 HA PRO 66 9.369 -8.322 4.722 464 HB2 PRO 66 2HB PRO 66 11.828 -7.748 5.782 465 HB3 PRO 66 1HB PRO 66 11.311 -9.365 5.290 466 HG2 PRO 66 2HG PRO 66 12.939 -7.355 3.789 467 HG3 PRO 66 1HG PRO 66 13.215 -9.099 3.968 468 HD2 PRO 66 2HD PRO 66 12.140 -8.096 1.754 469 HD3 PRO 66 1HD PRO 66 11.555 -9.633 2.432 470 H THR 67 H THR 67 10.707 -5.587 3.031 471 HA THR 67 HA THR 67 9.535 -3.881 5.056 472 HB THR 67 HB THR 67 12.417 -3.428 4.217 473 HG1 THR 67 1HG THR 67 11.286 -4.976 6.170 474 HG21 THR 67 3HG2 THR 67 12.377 -1.782 6.057 475 HG22 THR 67 1HG2 THR 67 10.674 -2.138 6.328 476 HG23 THR 67 2HG2 THR 67 11.183 -1.388 4.816 477 H THR 68 H THR 68 8.416 -2.354 4.120 478 HA THR 68 HA THR 68 9.272 -1.257 1.561 479 HB THR 68 HB THR 68 6.483 -1.867 2.596 480 HG1 THR 68 1HG THR 68 7.919 -2.627 0.313 481 HG21 THR 68 3HG2 THR 68 5.569 -0.817 0.609 482 HG22 THR 68 1HG2 THR 68 7.185 -0.417 0.033 483 HG23 THR 68 2HG2 THR 68 6.542 0.373 1.470 484 H THR 69 H THR 69 10.024 0.721 1.952 485 HA THR 69 HA THR 69 9.219 2.169 4.313 486 HB THR 69 HB THR 69 11.098 3.229 2.220 487 HG1 THR 69 1HG THR 69 12.476 1.651 2.568 488 HG21 THR 69 3HG2 THR 69 10.591 4.536 4.248 489 HG22 THR 69 1HG2 THR 69 12.280 4.031 4.212 490 HG23 THR 69 2HG2 THR 69 11.130 3.186 5.248 491 H ALA 70 H ALA 70 7.874 4.004 4.277 492 HA ALA 70 HA ALA 70 6.905 4.820 1.632 493 HB1 ALA 70 1HB ALA 70 4.751 5.268 2.657 494 HB2 ALA 70 2HB ALA 70 5.375 4.763 4.226 495 HB3 ALA 70 3HB ALA 70 5.229 3.591 2.917 496 H GLY 71 H GLY 71 6.524 6.938 1.266 497 HA2 GLY 71 2HA GLY 71 6.237 9.189 2.360 498 HA3 GLY 71 1HA GLY 71 7.814 8.838 3.083 499 H ARG 72 H ARG 72 8.305 10.921 1.720 500 HA ARG 72 HA ARG 72 9.067 9.895 -0.911 501 HB2 ARG 72 2HB ARG 72 7.371 11.790 -0.904 502 HB3 ARG 72 1HB ARG 72 8.572 12.799 -0.130 503 HG2 ARG 72 2HG ARG 72 9.073 11.537 -2.817 504 HG3 ARG 72 1HG ARG 72 8.193 13.050 -2.656 505 HD2 ARG 72 2HD ARG 72 10.982 12.561 -1.615 506 HD3 ARG 72 1HD ARG 72 10.611 13.341 -3.154 507 HE ARG 72 HE ARG 72 9.199 14.803 -1.436 508 HH11 ARG 72 1HH1 ARG 72 12.625 13.774 -1.312 509 HH12 ARG 72 2HH1 ARG 72 13.149 15.167 -0.513 510 HH21 ARG 72 1HH2 ARG 72 10.007 16.762 -0.391 511 HH22 ARG 72 2HH2 ARG 72 11.662 16.894 -0.002 512 H HIS 73 H HIS 73 11.151 9.514 -1.057 513 HA HIS 73 HA HIS 73 13.281 11.062 -0.330 514 HB2 HIS 73 2HB HIS 73 14.141 9.786 1.696 515 HB3 HIS 73 1HB HIS 73 12.657 10.649 2.047 516 HD1 HIS 73 1HD HIS 73 10.561 9.202 2.522 517 HD2 HIS 73 2HD HIS 73 14.047 7.076 1.941 518 HE1 HIS 73 1HE HIS 73 10.069 6.841 3.309 519 HA PRO 74 HA PRO 74 15.308 8.159 -3.023 520 HB2 PRO 74 2HB PRO 74 17.416 7.207 -1.415 521 HB3 PRO 74 1HB PRO 74 17.464 8.610 -2.489 522 HG2 PRO 74 2HG PRO 74 16.932 8.494 0.448 523 HG3 PRO 74 1HG PRO 74 17.873 9.679 -0.476 524 HD2 PRO 74 2HD PRO 74 15.456 10.330 0.352 525 HD3 PRO 74 1HD PRO 74 15.924 10.723 -1.314 526 H GLU 75 H GLU 75 14.878 6.858 0.225 527 HA GLU 75 HA GLU 75 14.962 4.147 -0.805 528 HB2 GLU 75 2HB GLU 75 14.986 5.280 1.960 529 HB3 GLU 75 1HB GLU 75 14.629 3.586 1.699 530 HG2 GLU 75 2HG GLU 75 17.119 5.005 0.788 531 HG3 GLU 75 1HG GLU 75 16.983 3.975 2.219 532 H SER 76 H SER 76 12.579 6.147 -1.132 533 HA SER 76 HA SER 76 10.410 4.921 0.201 534 HB2 SER 76 2HB SER 76 9.027 6.079 -1.542 535 HB3 SER 76 1HB SER 76 10.187 7.157 -0.760 536 HG SER 76 HG SER 76 10.892 5.782 -3.076 537 H ASP 77 H ASP 77 9.869 2.850 -0.061 538 HA ASP 77 HA ASP 77 10.598 1.429 -2.456 539 HB2 ASP 77 2HB ASP 77 10.686 0.324 -0.237 540 HB3 ASP 77 1HB ASP 77 8.941 0.476 -0.104 541 H ILE 78 H ILE 78 7.757 2.753 -0.994 542 HA ILE 78 HA ILE 78 6.474 2.469 -3.590 543 HB ILE 78 HB ILE 78 4.275 2.869 -2.377 544 HG12 ILE 78 2HG1 ILE 78 5.902 2.180 0.097 545 HG13 ILE 78 1HG1 ILE 78 5.193 3.747 -0.254 546 HG21 ILE 78 1HG2 ILE 78 4.820 0.683 -3.209 547 HG22 ILE 78 2HG2 ILE 78 3.993 0.530 -1.658 548 HG23 ILE 78 3HG2 ILE 78 5.742 0.319 -1.750 549 HD11 ILE 78 3HD1 ILE 78 3.867 2.529 1.377 550 HD12 ILE 78 1HD1 ILE 78 3.683 1.188 0.247 551 HD13 ILE 78 2HD1 ILE 78 2.956 2.753 -0.116 552 H PHE 79 H PHE 79 6.388 4.288 -4.665 553 HA PHE 79 HA PHE 79 7.075 6.694 -3.201 554 HB2 PHE 79 2HB PHE 79 8.443 6.074 -5.167 555 HB3 PHE 79 1HB PHE 79 7.017 6.226 -6.185 556 HD1 PHE 79 1HD PHE 79 9.521 8.027 -4.228 557 HD2 PHE 79 2HD PHE 79 6.139 8.414 -6.778 558 HE1 PHE 79 1HE PHE 79 10.015 10.415 -4.517 559 HE2 PHE 79 2HE PHE 79 6.627 10.804 -7.072 560 HZ PHE 79 HZ PHE 79 8.567 11.805 -5.934 561 H LEU 80 H LEU 80 5.550 7.932 -2.583 562 HA LEU 80 HA LEU 80 3.204 8.430 -4.301 563 HB2 LEU 80 2HB LEU 80 3.383 8.613 -1.265 564 HB3 LEU 80 1HB LEU 80 1.982 8.982 -2.230 565 HG LEU 80 HG LEU 80 1.475 6.974 -1.218 566 HD11 LEU 80 1HD1 LEU 80 0.883 6.863 -3.509 567 HD12 LEU 80 2HD1 LEU 80 1.356 5.262 -2.940 568 HD13 LEU 80 3HD1 LEU 80 2.466 6.207 -3.932 569 HD21 LEU 80 3HD2 LEU 80 2.928 4.989 -1.122 570 HD22 LEU 80 1HD2 LEU 80 3.634 6.380 -0.303 571 HD23 LEU 80 2HD2 LEU 80 4.214 5.912 -1.900 572 H ASP 81 H ASP 81 2.899 10.708 -4.643 573 HA ASP 81 HA ASP 81 5.159 12.282 -3.857 574 HB2 ASP 81 2HB ASP 81 4.370 14.018 -5.308 575 HB3 ASP 81 1HB ASP 81 4.085 12.509 -6.152 576 H ASP 82 H ASP 82 5.294 13.622 -2.312 577 HA ASP 82 HA ASP 82 3.345 13.534 -0.222 578 HB2 ASP 82 2HB ASP 82 4.972 14.765 1.097 579 HB3 ASP 82 1HB ASP 82 5.776 13.458 0.239 580 H VAL 83 H VAL 83 2.147 15.186 0.631 581 HA VAL 83 HA VAL 83 1.538 17.409 -1.105 582 HB VAL 83 HB VAL 83 0.475 16.730 1.668 583 HG11 VAL 83 1HG1 VAL 83 0.197 19.098 1.162 584 HG12 VAL 83 2HG1 VAL 83 -1.361 18.272 1.149 585 HG13 VAL 83 3HG1 VAL 83 -0.570 18.688 -0.372 586 HG21 VAL 83 3HG2 VAL 83 -0.741 16.241 -1.050 587 HG22 VAL 83 1HG2 VAL 83 -1.516 15.908 0.496 588 HG23 VAL 83 2HG2 VAL 83 -0.072 15.012 0.019 589 H THR 84 H THR 84 2.977 16.867 2.029 590 HA THR 84 HA THR 84 4.425 19.355 1.783 591 HB THR 84 HB THR 84 3.120 18.323 4.348 592 HG1 THR 84 1HG THR 84 2.503 20.358 2.510 593 HG21 THR 84 3HG2 THR 84 4.574 20.934 3.787 594 HG22 THR 84 1HG2 THR 84 5.219 19.594 4.737 595 HG23 THR 84 2HG2 THR 84 3.811 20.484 5.313 596 H VAL 85 H VAL 85 6.495 19.125 3.230 597 HA VAL 85 HA VAL 85 7.657 16.781 2.121 598 HB VAL 85 HB VAL 85 9.008 18.718 3.979 599 HG11 VAL 85 1HG1 VAL 85 11.048 18.009 2.843 600 HG12 VAL 85 2HG1 VAL 85 10.114 16.890 1.853 601 HG13 VAL 85 3HG1 VAL 85 10.224 16.644 3.596 602 HG21 VAL 85 3HG2 VAL 85 9.718 19.927 1.974 603 HG22 VAL 85 1HG2 VAL 85 7.971 19.937 2.169 604 HG23 VAL 85 2HG2 VAL 85 8.722 18.865 0.987 605 H SER 86 H SER 86 7.069 15.014 3.036 606 HA SER 86 HA SER 86 7.589 14.603 5.874 607 HB2 SER 86 2HB SER 86 6.170 12.809 3.888 608 HB3 SER 86 1HB SER 86 6.179 12.645 5.646 609 HG SER 86 HG SER 86 5.223 14.985 4.386 610 H ARG 87 H ARG 87 9.730 14.209 5.991 611 HA ARG 87 HA ARG 87 11.309 13.051 4.026 612 HB2 ARG 87 2HB ARG 87 13.039 12.726 5.873 613 HB3 ARG 87 1HB ARG 87 12.465 14.353 5.600 614 HG2 ARG 87 2HG ARG 87 12.615 14.119 7.934 615 HG3 ARG 87 1HG ARG 87 10.905 13.995 7.571 616 HD2 ARG 87 2HD ARG 87 11.128 11.509 7.720 617 HD3 ARG 87 1HD ARG 87 12.805 11.733 8.222 618 HE ARG 87 HE ARG 87 11.230 13.298 9.895 619 HH11 ARG 87 1HH1 ARG 87 11.789 9.845 9.341 620 HH12 ARG 87 2HH1 ARG 87 11.238 9.393 10.881 621 HH21 ARG 87 1HH2 ARG 87 10.487 12.676 11.966 622 HH22 ARG 87 2HH2 ARG 87 10.463 11.025 12.412 623 H ARG 88 H ARG 88 9.518 11.518 6.535 624 HA ARG 88 HA ARG 88 9.484 9.154 4.999 625 HB2 ARG 88 2HB ARG 88 11.570 8.758 6.321 626 HB3 ARG 88 1HB ARG 88 10.654 8.995 7.801 627 HG2 ARG 88 2HG ARG 88 9.353 7.021 7.395 628 HG3 ARG 88 1HG ARG 88 10.054 6.838 5.789 629 HD2 ARG 88 2HD ARG 88 11.608 6.702 8.367 630 HD3 ARG 88 1HD ARG 88 11.029 5.300 7.468 631 HE ARG 88 HE ARG 88 12.443 6.795 5.665 632 HH11 ARG 88 1HH1 ARG 88 13.193 5.225 8.745 633 HH12 ARG 88 2HH1 ARG 88 14.796 4.860 8.354 634 HH21 ARG 88 1HH2 ARG 88 14.723 6.317 5.106 635 HH22 ARG 88 2HH2 ARG 88 15.682 5.543 6.253 636 H HIS 89 H HIS 89 7.582 8.187 5.311 637 HA HIS 89 HA HIS 89 5.801 9.625 7.121 638 HB2 HIS 89 2HB HIS 89 5.162 9.676 4.796 639 HB3 HIS 89 1HB HIS 89 5.338 7.936 4.656 640 HD2 HIS 89 2HD HIS 89 2.883 10.506 6.367 641 HE1 HIS 89 1HE HIS 89 0.949 6.816 5.709 642 HE2 HIS 89 2HE HIS 89 0.918 8.965 6.966 643 H ALA 90 H ALA 90 6.506 6.284 6.028 644 HA ALA 90 HA ALA 90 6.024 5.277 8.666 645 HB1 ALA 90 1HB ALA 90 4.169 3.818 8.036 646 HB2 ALA 90 2HB ALA 90 4.132 4.539 6.428 647 HB3 ALA 90 3HB ALA 90 3.727 5.516 7.839 648 H GLU 91 H GLU 91 6.354 2.973 8.728 649 HA GLU 91 HA GLU 91 7.842 1.913 6.430 650 HB2 GLU 91 2HB GLU 91 8.280 1.269 9.356 651 HB3 GLU 91 1HB GLU 91 9.071 0.472 8.015 652 HG2 GLU 91 2HG GLU 91 10.103 2.658 7.421 653 HG3 GLU 91 1HG GLU 91 9.421 3.316 8.913 654 H PHE 92 H PHE 92 7.033 0.121 5.629 655 HA PHE 92 HA PHE 92 4.939 -1.293 7.110 656 HB2 PHE 92 2HB PHE 92 5.700 -1.237 4.185 657 HB3 PHE 92 1HB PHE 92 4.481 -2.320 4.851 658 HD1 PHE 92 1HD PHE 92 5.279 1.352 4.722 659 HD2 PHE 92 2HD PHE 92 2.308 -1.681 4.553 660 HE1 PHE 92 1HE PHE 92 3.572 3.055 4.222 661 HE2 PHE 92 2HE PHE 92 0.602 0.009 4.063 662 HZ PHE 92 HZ PHE 92 1.230 2.384 3.896 663 H ARG 93 H ARG 93 5.771 -2.997 8.116 664 HA ARG 93 HA ARG 93 8.071 -4.305 6.844 665 HB2 ARG 93 2HB ARG 93 7.380 -4.187 9.777 666 HB3 ARG 93 1HB ARG 93 8.627 -5.214 9.101 667 HG2 ARG 93 2HG ARG 93 9.869 -3.258 8.365 668 HG3 ARG 93 1HG ARG 93 8.594 -2.206 8.991 669 HD2 ARG 93 2HD ARG 93 10.418 -2.334 10.597 670 HD3 ARG 93 1HD ARG 93 8.966 -3.102 11.232 671 HE ARG 93 HE ARG 93 11.312 -4.532 10.192 672 HH11 ARG 93 1HH1 ARG 93 8.437 -4.456 12.328 673 HH12 ARG 93 2HH1 ARG 93 8.849 -5.899 13.118 674 HH21 ARG 93 1HH2 ARG 93 11.811 -6.545 11.369 675 HH22 ARG 93 2HH2 ARG 93 10.742 -7.073 12.602 676 H ILE 94 H ILE 94 8.060 -6.415 6.557 677 HA ILE 94 HA ILE 94 5.634 -7.843 7.320 678 HB ILE 94 HB ILE 94 7.493 -8.385 4.950 679 HG12 ILE 94 2HG1 ILE 94 5.379 -8.080 3.563 680 HG13 ILE 94 1HG1 ILE 94 4.614 -7.462 5.014 681 HG21 ILE 94 1HG2 ILE 94 5.067 -9.936 5.831 682 HG22 ILE 94 2HG2 ILE 94 6.742 -10.473 5.912 683 HG23 ILE 94 3HG2 ILE 94 5.975 -10.210 4.343 684 HD11 ILE 94 3HD1 ILE 94 5.303 -5.666 3.514 685 HD12 ILE 94 1HD1 ILE 94 6.972 -6.223 3.605 686 HD13 ILE 94 2HD1 ILE 94 6.178 -5.585 5.044 687 H ASN 95 H ASN 95 6.069 -9.077 8.940 688 HA ASN 95 HA ASN 95 8.720 -10.271 9.139 689 HB2 ASN 95 2HB ASN 95 8.846 -9.774 11.532 690 HB3 ASN 95 1HB ASN 95 8.694 -8.285 10.612 691 HD21 ASN 95 1HD2 ASN 95 7.286 -10.331 12.974 692 HD22 ASN 95 2HD2 ASN 95 5.935 -9.338 13.364 693 H GLU 96 H GLU 96 8.665 -12.290 9.472 694 HA GLU 96 HA GLU 96 7.990 -14.430 9.724 695 HB2 GLU 96 2HB GLU 96 6.127 -13.366 11.864 696 HB3 GLU 96 1HB GLU 96 6.773 -14.992 11.739 697 HG2 GLU 96 2HG GLU 96 8.222 -12.472 12.497 698 HG3 GLU 96 1HG GLU 96 7.927 -13.895 13.489 699 H GLY 97 H GLY 97 6.677 -12.880 7.773 700 HA2 GLY 97 2HA GLY 97 5.026 -13.311 6.206 701 HA3 GLY 97 1HA GLY 97 4.373 -14.530 7.283 702 H GLU 98 H GLU 98 4.611 -11.805 9.153 703 HA GLU 98 HA GLU 98 1.825 -11.139 8.583 704 HB2 GLU 98 2HB GLU 98 3.374 -10.664 11.136 705 HB3 GLU 98 1HB GLU 98 1.648 -10.405 10.895 706 HG2 GLU 98 2HG GLU 98 1.465 -12.853 10.390 707 HG3 GLU 98 1HG GLU 98 3.131 -13.013 10.929 708 H PHE 99 H PHE 99 1.193 -8.917 8.710 709 HA PHE 99 HA PHE 99 3.338 -7.213 7.659 710 HB2 PHE 99 2HB PHE 99 0.343 -6.985 7.275 711 HB3 PHE 99 1HB PHE 99 1.579 -6.041 6.461 712 HD1 PHE 99 2HD PHE 99 0.032 -9.381 6.719 713 HD2 PHE 99 1HD PHE 99 2.720 -6.901 4.548 714 HE1 PHE 99 2HE PHE 99 0.081 -11.037 4.901 715 HE2 PHE 99 1HE PHE 99 2.773 -8.557 2.727 716 HZ PHE 99 HZ PHE 99 1.453 -10.625 2.903 717 H GLU 100 H GLU 100 3.849 -5.393 8.784 718 HA GLU 100 HA GLU 100 1.831 -4.268 10.586 719 HB2 GLU 100 2HB GLU 100 3.585 -3.609 12.169 720 HB3 GLU 100 1HB GLU 100 3.489 -5.354 12.016 721 HG2 GLU 100 2HG GLU 100 5.478 -5.427 10.716 722 HG3 GLU 100 1HG GLU 100 5.479 -3.674 10.526 723 H VAL 101 H VAL 101 1.821 -2.047 10.710 724 HA VAL 101 HA VAL 101 3.616 -0.637 8.850 725 HB VAL 101 HB VAL 101 0.733 0.081 9.466 726 HG11 VAL 101 1HG1 VAL 101 2.657 1.247 7.458 727 HG12 VAL 101 2HG1 VAL 101 2.102 2.014 8.942 728 HG13 VAL 101 3HG1 VAL 101 0.962 1.697 7.633 729 HG21 VAL 101 3HG2 VAL 101 0.835 -1.954 8.119 730 HG22 VAL 101 1HG2 VAL 101 1.849 -1.129 6.942 731 HG23 VAL 101 2HG2 VAL 101 0.180 -0.606 7.187 732 H VAL 102 H VAL 102 4.832 0.738 9.983 733 HA VAL 102 HA VAL 102 3.628 1.909 12.376 734 HB VAL 102 HB VAL 102 5.931 2.220 13.293 735 HG11 VAL 102 1HG1 VAL 102 5.154 -0.638 12.731 736 HG12 VAL 102 2HG1 VAL 102 4.556 0.369 14.047 737 HG13 VAL 102 3HG1 VAL 102 6.252 -0.109 14.006 738 HG21 VAL 102 3HG2 VAL 102 7.209 2.077 11.209 739 HG22 VAL 102 1HG2 VAL 102 6.777 0.375 11.049 740 HG23 VAL 102 2HG2 VAL 102 7.799 0.907 12.387 741 H ASP 103 H ASP 103 3.267 3.914 12.260 742 HA ASP 103 HA ASP 103 4.273 5.569 10.139 743 HB2 ASP 103 2HB ASP 103 1.971 5.839 10.782 744 HB3 ASP 103 1HB ASP 103 2.428 6.050 12.464 745 H VAL 104 H VAL 104 5.721 7.124 10.312 746 HA VAL 104 HA VAL 104 6.836 7.710 12.950 747 HB VAL 104 HB VAL 104 9.094 7.935 11.928 748 HG11 VAL 104 1HG1 VAL 104 9.595 5.547 11.685 749 HG12 VAL 104 2HG1 VAL 104 7.868 5.203 11.577 750 HG13 VAL 104 3HG1 VAL 104 8.544 5.864 13.064 751 HG21 VAL 104 3HG2 VAL 104 8.449 8.351 9.618 752 HG22 VAL 104 1HG2 VAL 104 7.813 6.711 9.485 753 HG23 VAL 104 2HG2 VAL 104 9.542 6.969 9.714 754 H GLY 105 H GLY 105 4.918 8.941 10.847 755 HA2 GLY 105 2HA GLY 105 5.447 11.579 11.381 756 HA3 GLY 105 1HA GLY 105 6.216 11.222 9.839 757 H SER 106 H SER 106 3.157 11.110 11.574 758 HA SER 106 HA SER 106 1.471 10.698 9.334 759 HB2 SER 106 2HB SER 106 0.884 11.948 12.017 760 HB3 SER 106 1HB SER 106 -0.325 11.386 10.867 761 HG SER 106 HG SER 106 1.448 9.434 11.319 762 H LEU 107 H LEU 107 3.317 12.865 8.823 763 HA LEU 107 HA LEU 107 2.241 15.473 9.227 764 HB2 LEU 107 2HB LEU 107 4.638 14.719 8.491 765 HB3 LEU 107 1HB LEU 107 3.953 14.653 6.898 766 HG LEU 107 HG LEU 107 4.129 17.173 8.565 767 HD11 LEU 107 1HD1 LEU 107 5.919 17.810 7.090 768 HD12 LEU 107 2HD1 LEU 107 5.744 16.304 6.204 769 HD13 LEU 107 3HD1 LEU 107 6.312 16.271 7.866 770 HD21 LEU 107 3HD2 LEU 107 2.307 17.255 6.931 771 HD22 LEU 107 1HD2 LEU 107 3.439 16.777 5.661 772 HD23 LEU 107 2HD2 LEU 107 3.633 18.333 6.479 773 H ASN 108 H ASN 108 2.057 13.101 6.699 774 HA ASN 108 HA ASN 108 0.523 14.787 4.912 775 HB2 ASN 108 2HB ASN 108 2.368 13.175 4.222 776 HB3 ASN 108 1HB ASN 108 1.269 11.865 4.625 777 HD21 ASN 108 1HD2 ASN 108 1.247 11.079 2.563 778 HD22 ASN 108 2HD2 ASN 108 0.451 11.870 1.250 779 H GLY 109 H GLY 109 -0.153 12.943 7.573 780 HA2 GLY 109 2HA GLY 109 -2.247 12.480 8.468 781 HA3 GLY 109 1HA GLY 109 -2.950 12.789 6.886 782 H THR 110 H THR 110 -1.368 10.402 8.906 783 HA THR 110 HA THR 110 -1.780 8.265 7.021 784 HB THR 110 HB THR 110 -1.038 8.119 9.937 785 HG1 THR 110 1HG THR 110 1.121 8.462 9.203 786 HG21 THR 110 3HG2 THR 110 -1.447 5.981 8.753 787 HG22 THR 110 1HG2 THR 110 0.258 6.158 9.168 788 HG23 THR 110 2HG2 THR 110 -0.282 6.450 7.516 789 H TYR 111 H TYR 111 -3.687 7.146 6.944 790 HA TYR 111 HA TYR 111 -5.248 6.867 9.417 791 HB2 TYR 111 2HB TYR 111 -6.467 7.364 6.693 792 HB3 TYR 111 1HB TYR 111 -7.327 7.002 8.167 793 HD1 TYR 111 2HD TYR 111 -7.614 8.654 9.893 794 HD2 TYR 111 1HD TYR 111 -5.532 9.582 6.312 795 HE1 TYR 111 2HE TYR 111 -7.801 11.041 10.414 796 HE2 TYR 111 1HE TYR 111 -5.714 11.967 6.814 797 HH TYR 111 HH TYR 111 -7.129 13.429 8.125 798 H VAL 112 H VAL 112 -6.082 4.884 9.719 799 HA VAL 112 HA VAL 112 -5.900 3.006 7.479 800 HB VAL 112 HB VAL 112 -5.597 2.332 10.446 801 HG11 VAL 112 1HG1 VAL 112 -5.371 0.527 8.028 802 HG12 VAL 112 2HG1 VAL 112 -6.756 0.607 9.109 803 HG13 VAL 112 3HG1 VAL 112 -5.200 0.041 9.721 804 HG21 VAL 112 3HG2 VAL 112 -3.545 2.184 8.233 805 HG22 VAL 112 1HG2 VAL 112 -3.294 1.701 9.907 806 HG23 VAL 112 2HG2 VAL 112 -3.576 3.398 9.503 807 H ASN 113 H ASN 113 -7.821 2.415 6.858 808 HA ASN 113 HA ASN 113 -10.080 2.449 6.623 809 HB2 ASN 113 2HB ASN 113 -9.869 1.576 9.511 810 HB3 ASN 113 1HB ASN 113 -11.414 1.699 8.679 811 HD21 ASN 113 1HD2 ASN 113 -11.823 -0.435 8.905 812 HD22 ASN 113 2HD2 ASN 113 -11.018 -1.672 8.000 813 H ARG 114 H ARG 114 -8.905 4.832 7.027 814 HA ARG 114 HA ARG 114 -9.255 7.010 7.342 815 HB2 ARG 114 2HB ARG 114 -12.111 6.106 7.451 816 HB3 ARG 114 1HB ARG 114 -11.646 7.807 7.471 817 HG2 ARG 114 2HG ARG 114 -10.497 7.547 5.358 818 HG3 ARG 114 1HG ARG 114 -10.889 5.829 5.344 819 HD2 ARG 114 2HD ARG 114 -12.901 8.052 5.362 820 HD3 ARG 114 1HD ARG 114 -12.353 7.215 3.914 821 HE ARG 114 HE ARG 114 -14.014 6.127 6.052 822 HH11 ARG 114 1HH1 ARG 114 -12.508 5.730 2.900 823 HH12 ARG 114 2HH1 ARG 114 -13.444 4.372 2.490 824 HH21 ARG 114 1HH2 ARG 114 -15.297 4.268 5.446 825 HH22 ARG 114 2HH2 ARG 114 -15.028 3.554 3.900 826 H GLU 115 H GLU 115 -9.110 5.143 9.766 827 HA GLU 115 HA GLU 115 -9.732 7.194 11.751 828 HB2 GLU 115 2HB GLU 115 -8.861 4.309 12.058 829 HB3 GLU 115 1HB GLU 115 -9.168 5.410 13.387 830 HG2 GLU 115 2HG GLU 115 -11.516 5.550 12.725 831 HG3 GLU 115 1HG GLU 115 -11.200 4.444 11.386 832 HA PRO 116 HA PRO 116 -5.394 8.238 11.399 833 HB2 PRO 116 2HB PRO 116 -5.205 9.420 13.945 834 HB3 PRO 116 1HB PRO 116 -5.572 10.266 12.443 835 HG2 PRO 116 2HG PRO 116 -7.371 9.429 14.624 836 HG3 PRO 116 1HG PRO 116 -7.564 10.730 13.446 837 HD2 PRO 116 2HD PRO 116 -8.942 8.351 13.386 838 HD3 PRO 116 1HD PRO 116 -8.666 9.381 11.973 839 H ARG 117 H ARG 117 -3.783 6.869 11.755 840 HA ARG 117 HA ARG 117 -3.710 5.304 14.228 841 HB2 ARG 117 2HB ARG 117 -5.051 4.144 12.388 842 HB3 ARG 117 1HB ARG 117 -3.568 4.106 11.459 843 HG2 ARG 117 2HG ARG 117 -3.803 1.983 12.430 844 HG3 ARG 117 1HG ARG 117 -2.552 2.798 13.379 845 HD2 ARG 117 2HD ARG 117 -4.066 1.664 14.871 846 HD3 ARG 117 1HD ARG 117 -4.285 3.408 15.030 847 HE ARG 117 HE ARG 117 -6.071 1.768 13.357 848 HH11 ARG 117 1HH1 ARG 117 -5.680 4.209 15.897 849 HH12 ARG 117 2HH1 ARG 117 -7.351 4.421 16.123 850 HH21 ARG 117 1HH2 ARG 117 -8.326 2.032 13.703 851 HH22 ARG 117 2HH2 ARG 117 -8.935 3.121 14.848 852 H ASN 118 H ASN 118 -1.560 4.899 14.772 853 HA ASN 118 HA ASN 118 0.404 5.815 12.822 854 HB2 ASN 118 2HB ASN 118 0.668 5.553 15.826 855 HB3 ASN 118 1HB ASN 118 2.000 5.960 14.754 856 HD21 ASN 118 1HD2 ASN 118 2.012 8.022 13.728 857 HD22 ASN 118 2HD2 ASN 118 1.016 9.285 14.296 858 H ALA 119 H ALA 119 -0.212 3.195 15.123 859 HA ALA 119 HA ALA 119 1.543 1.594 13.423 860 HB1 ALA 119 1HB ALA 119 2.525 1.924 15.654 861 HB2 ALA 119 2HB ALA 119 2.099 0.239 15.367 862 HB3 ALA 119 3HB ALA 119 1.070 1.243 16.386 863 H GLN 120 H GLN 120 0.755 -0.245 12.712 864 HA GLN 120 HA GLN 120 -1.807 -1.197 13.692 865 HB2 GLN 120 2HB GLN 120 -2.445 0.449 12.005 866 HB3 GLN 120 1HB GLN 120 -1.359 -0.291 10.837 867 HG2 GLN 120 2HG GLN 120 -3.565 -1.010 10.316 868 HG3 GLN 120 1HG GLN 120 -2.706 -2.380 11.000 869 HE21 GLN 120 1HE2 GLN 120 -5.430 -2.245 10.867 870 HE22 GLN 120 2HE2 GLN 120 -6.077 -2.177 12.467 871 H VAL 121 H VAL 121 -2.099 -3.347 13.323 872 HA VAL 121 HA VAL 121 0.057 -4.778 11.970 873 HB VAL 121 HB VAL 121 -2.383 -5.845 13.483 874 HG11 VAL 121 1HG1 VAL 121 -1.568 -7.411 11.801 875 HG12 VAL 121 2HG1 VAL 121 -1.237 -8.016 13.425 876 HG13 VAL 121 3HG1 VAL 121 0.060 -7.304 12.470 877 HG21 VAL 121 3HG2 VAL 121 -0.825 -6.452 15.283 878 HG22 VAL 121 1HG2 VAL 121 -0.850 -4.709 15.011 879 HG23 VAL 121 2HG2 VAL 121 0.491 -5.678 14.405 880 H MET 122 H MET 122 -0.311 -5.128 9.863 881 HA MET 122 HA MET 122 -2.894 -4.193 8.910 882 HB2 MET 122 2HB MET 122 -0.879 -3.139 8.024 883 HB3 MET 122 1HB MET 122 -0.310 -4.691 7.436 884 HG2 MET 122 2HG MET 122 -2.134 -4.792 5.853 885 HG3 MET 122 1HG MET 122 -2.809 -3.299 6.502 886 HE1 MET 122 3HE MET 122 1.068 -3.962 5.942 887 HE2 MET 122 1HE MET 122 1.235 -3.481 4.257 888 HE3 MET 122 2HE MET 122 0.280 -4.903 4.676 889 H GLN 123 H GLN 123 -4.363 -5.423 8.055 890 HA GLN 123 HA GLN 123 -3.671 -8.126 7.258 891 HB2 GLN 123 2HB GLN 123 -6.068 -7.234 8.865 892 HB3 GLN 123 1HB GLN 123 -5.870 -8.835 8.174 893 HG2 GLN 123 2HG GLN 123 -3.882 -9.180 9.577 894 HG3 GLN 123 1HG GLN 123 -4.124 -7.583 10.286 895 HE21 GLN 123 1HE2 GLN 123 -4.130 -10.222 11.536 896 HE22 GLN 123 2HE2 GLN 123 -5.665 -10.353 12.312 897 H THR 124 H THR 124 -5.169 -8.973 5.747 898 HA THR 124 HA THR 124 -5.784 -7.222 3.683 899 HB THR 124 HB THR 124 -5.413 -9.557 3.244 900 HG1 THR 124 1HG THR 124 -8.154 -9.131 2.663 901 HG21 THR 124 3HG2 THR 124 -7.908 -10.092 4.857 902 HG22 THR 124 1HG2 THR 124 -6.261 -10.530 5.305 903 HG23 THR 124 2HG2 THR 124 -7.032 -11.301 3.918 904 H GLY 125 H GLY 125 -7.541 -6.090 3.178 905 HA2 GLY 125 2HA GLY 125 -9.849 -5.536 3.280 906 HA3 GLY 125 1HA GLY 125 -9.944 -6.349 4.838 907 H ASP 126 H ASP 126 -7.146 -4.764 5.154 908 HA ASP 126 HA ASP 126 -8.399 -2.434 6.328 909 HB2 ASP 126 2HB ASP 126 -5.526 -3.406 6.354 910 HB3 ASP 126 1HB ASP 126 -5.996 -1.836 6.973 911 H GLU 127 H GLU 127 -8.172 -0.410 5.593 912 HA GLU 127 HA GLU 127 -6.664 -0.113 3.106 913 HB2 GLU 127 2HB GLU 127 -8.222 1.755 2.525 914 HB3 GLU 127 1HB GLU 127 -8.991 0.177 2.563 915 HG2 GLU 127 2HG GLU 127 -10.071 0.647 4.596 916 HG3 GLU 127 1HG GLU 127 -9.055 2.058 4.878 917 H ILE 128 H ILE 128 -5.475 1.756 2.881 918 HA ILE 128 HA ILE 128 -5.073 3.229 5.385 919 HB ILE 128 HB ILE 128 -2.885 2.286 3.493 920 HG12 ILE 128 2HG1 ILE 128 -3.533 1.423 6.326 921 HG13 ILE 128 1HG1 ILE 128 -3.814 0.471 4.875 922 HG21 ILE 128 1HG2 ILE 128 -1.320 3.218 5.146 923 HG22 ILE 128 2HG2 ILE 128 -2.678 3.822 6.093 924 HG23 ILE 128 3HG2 ILE 128 -2.373 4.470 4.481 925 HD11 ILE 128 3HD1 ILE 128 -1.839 -0.277 6.061 926 HD12 ILE 128 1HD1 ILE 128 -1.132 1.335 5.929 927 HD13 ILE 128 2HD1 ILE 128 -1.420 0.375 4.476 928 H GLN 129 H GLN 129 -5.180 5.323 5.136 929 HA GLN 129 HA GLN 129 -5.117 6.405 2.406 930 HB2 GLN 129 2HB GLN 129 -7.213 6.860 3.772 931 HB3 GLN 129 1HB GLN 129 -6.189 7.744 4.898 932 HG2 GLN 129 2HG GLN 129 -5.521 9.246 3.031 933 HG3 GLN 129 1HG GLN 129 -6.723 8.445 2.027 934 HE21 GLN 129 1HE2 GLN 129 -6.531 11.213 2.811 935 HE22 GLN 129 2HE2 GLN 129 -7.998 11.612 3.606 936 H ILE 130 H ILE 130 -3.371 7.441 1.915 937 HA ILE 130 HA ILE 130 -1.741 8.617 4.062 938 HB ILE 130 HB ILE 130 -0.839 7.571 1.347 939 HG12 ILE 130 2HG1 ILE 130 -0.338 6.438 4.115 940 HG13 ILE 130 1HG1 ILE 130 -1.366 5.738 2.877 941 HG21 ILE 130 1HG2 ILE 130 1.452 8.008 2.134 942 HG22 ILE 130 2HG2 ILE 130 0.795 8.752 3.592 943 HG23 ILE 130 3HG2 ILE 130 0.484 9.478 2.015 944 HD11 ILE 130 3HD1 ILE 130 1.617 6.087 2.684 945 HD12 ILE 130 1HD1 ILE 130 0.580 5.358 1.458 946 HD13 ILE 130 2HD1 ILE 130 0.772 4.581 3.031 947 H GLY 131 H GLY 131 -2.466 10.680 3.994 948 HA2 GLY 131 2HA GLY 131 -2.951 12.756 3.189 949 HA3 GLY 131 1HA GLY 131 -1.862 12.386 1.859 950 H LYS 132 H LYS 132 -2.687 12.235 -0.046 951 HA LYS 132 HA LYS 132 -5.589 12.329 -0.417 952 HB2 LYS 132 2HB LYS 132 -5.010 13.050 -2.721 953 HB3 LYS 132 1HB LYS 132 -4.298 14.091 -1.490 954 HG2 LYS 132 2HG LYS 132 -2.163 12.928 -1.739 955 HG3 LYS 132 1HG LYS 132 -2.879 11.880 -2.955 956 HD2 LYS 132 2HD LYS 132 -3.245 13.813 -4.403 957 HD3 LYS 132 1HD LYS 132 -2.543 14.871 -3.169 958 HE2 LYS 132 2HE LYS 132 -0.445 13.645 -3.295 959 HE3 LYS 132 1HE LYS 132 -1.138 12.564 -4.494 960 HZ1 LYS 132 3HZ LYS 132 -0.648 15.457 -4.811 961 HZ2 LYS 132 1HZ LYS 132 -1.350 14.472 -5.994 962 HZ3 LYS 132 2HZ LYS 132 0.245 14.206 -5.478 963 H PHE 133 H PHE 133 -3.245 10.013 -0.287 964 HA PHE 133 HA PHE 133 -4.126 8.463 -2.606 965 HB2 PHE 133 2HB PHE 133 -1.929 7.912 -0.606 966 HB3 PHE 133 1HB PHE 133 -2.289 6.942 -2.023 967 HD1 PHE 133 1HD PHE 133 -0.932 10.110 -0.813 968 HD2 PHE 133 2HD PHE 133 -1.554 7.616 -4.190 969 HE1 PHE 133 1HE PHE 133 0.648 11.468 -2.094 970 HE2 PHE 133 2HE PHE 133 0.029 8.972 -5.487 971 HZ PHE 133 HZ PHE 133 1.137 10.920 -4.415 972 H ARG 134 H ARG 134 -5.233 6.631 -2.382 973 HA ARG 134 HA ARG 134 -5.738 5.709 0.354 974 HB2 ARG 134 2HB ARG 134 -7.737 6.859 -0.559 975 HB3 ARG 134 1HB ARG 134 -7.735 5.759 -1.923 976 HG2 ARG 134 2HG ARG 134 -8.230 3.890 -0.464 977 HG3 ARG 134 1HG ARG 134 -8.123 4.939 0.952 978 HD2 ARG 134 2HD ARG 134 -10.006 6.246 0.157 979 HD3 ARG 134 1HD ARG 134 -10.077 5.283 -1.315 980 HE ARG 134 HE ARG 134 -10.329 3.559 0.876 981 HH11 ARG 134 1HH1 ARG 134 -12.173 6.330 -0.336 982 HH12 ARG 134 2HH1 ARG 134 -13.691 5.585 -0.144 983 HH21 ARG 134 1HH2 ARG 134 -12.312 2.583 1.246 984 HH22 ARG 134 2HH2 ARG 134 -13.793 3.302 0.770 985 H LEU 135 H LEU 135 -5.004 3.771 0.648 986 HA LEU 135 HA LEU 135 -4.468 2.012 -1.648 987 HB2 LEU 135 2HB LEU 135 -3.315 1.937 1.134 988 HB3 LEU 135 1HB LEU 135 -2.796 0.991 -0.240 989 HG LEU 135 HG LEU 135 -2.508 3.956 0.061 990 HD11 LEU 135 1HD1 LEU 135 -1.049 2.731 1.583 991 HD12 LEU 135 2HD1 LEU 135 -0.095 3.449 0.284 992 HD13 LEU 135 3HD1 LEU 135 -0.472 1.728 0.254 993 HD21 LEU 135 3HD2 LEU 135 -1.066 3.798 -1.921 994 HD22 LEU 135 1HD2 LEU 135 -2.731 3.321 -2.254 995 HD23 LEU 135 2HD2 LEU 135 -1.484 2.089 -2.063 996 H VAL 136 H VAL 136 -5.382 0.056 -1.584 997 HA VAL 136 HA VAL 136 -6.799 -0.748 0.875 998 HB VAL 136 HB VAL 136 -7.593 -1.474 -1.981 999 HG11 VAL 136 1HG1 VAL 136 -8.971 -2.104 0.633 1000 HG12 VAL 136 2HG1 VAL 136 -8.097 -3.253 -0.373 1001 HG13 VAL 136 3HG1 VAL 136 -9.576 -2.505 -0.976 1002 HG21 VAL 136 3HG2 VAL 136 -8.123 0.855 -1.462 1003 HG22 VAL 136 1HG2 VAL 136 -8.973 0.350 -0.001 1004 HG23 VAL 136 2HG2 VAL 136 -9.593 -0.110 -1.587 1005 H PHE 137 H PHE 137 -5.961 -2.499 1.805 1006 HA PHE 137 HA PHE 137 -3.954 -4.005 0.327 1007 HB2 PHE 137 2HB PHE 137 -3.314 -2.926 2.435 1008 HB3 PHE 137 1HB PHE 137 -4.585 -3.797 3.271 1009 HD1 PHE 137 1HD PHE 137 -1.492 -4.331 1.288 1010 HD2 PHE 137 2HD PHE 137 -4.107 -5.807 4.293 1011 HE1 PHE 137 1HE PHE 137 0.117 -6.095 1.820 1012 HE2 PHE 137 2HE PHE 137 -2.500 -7.577 4.828 1013 HZ PHE 137 HZ PHE 137 -0.384 -7.719 3.598 1014 H LEU 138 H LEU 138 -4.524 -5.920 -0.487 1015 HA LEU 138 HA LEU 138 -6.529 -7.532 0.912 1016 HB2 LEU 138 2HB LEU 138 -6.442 -6.987 -2.058 1017 HB3 LEU 138 1HB LEU 138 -7.454 -8.202 -1.304 1018 HG LEU 138 HG LEU 138 -7.672 -5.229 -0.812 1019 HD11 LEU 138 1HD1 LEU 138 -8.313 -5.821 -3.096 1020 HD12 LEU 138 2HD1 LEU 138 -9.708 -5.345 -2.135 1021 HD13 LEU 138 3HD1 LEU 138 -9.413 -7.050 -2.469 1022 HD21 LEU 138 3HD2 LEU 138 -9.445 -7.525 0.039 1023 HD22 LEU 138 1HD2 LEU 138 -9.804 -5.814 0.267 1024 HD23 LEU 138 2HD2 LEU 138 -8.433 -6.539 1.097 1025 H ALA 139 H ALA 139 -6.170 -9.686 0.818 1026 HA ALA 139 HA ALA 139 -3.563 -10.475 -0.242 1027 HB1 ALA 139 1HB ALA 139 -3.730 -12.420 1.201 1028 HB2 ALA 139 2HB ALA 139 -5.360 -11.953 1.682 1029 HB3 ALA 139 3HB ALA 139 -3.983 -10.942 2.125 1030 H GLY 140 H GLY 140 -3.494 -11.505 -2.121 1031 HA2 GLY 140 2HA GLY 140 -5.344 -13.571 -2.723 1032 HA3 GLY 140 1HA GLY 140 -5.569 -12.125 -3.710 1033 HA PRO 141 HA PRO 141 -1.967 -14.585 -5.377 1034 HB2 PRO 141 2HB PRO 141 -3.588 -15.071 -7.731 1035 HB3 PRO 141 1HB PRO 141 -2.730 -16.250 -6.748 1036 HG2 PRO 141 2HG PRO 141 -5.447 -16.109 -6.795 1037 HG3 PRO 141 1HG PRO 141 -4.543 -16.624 -5.361 1038 HD2 PRO 141 2HD PRO 141 -5.789 -13.978 -5.970 1039 HD3 PRO 141 1HD PRO 141 -5.727 -14.869 -4.433 1040 H ALA 142 H ALA 142 -0.640 -13.511 -6.698 1041 HA ALA 142 HA ALA 142 -1.508 -11.666 -8.728 1042 HB1 ALA 142 1HB ALA 142 -1.833 -10.277 -6.724 1043 HB2 ALA 142 2HB ALA 142 -0.466 -9.684 -7.669 1044 HB3 ALA 142 3HB ALA 142 -0.183 -10.629 -6.206 1045 H GLU 143 H GLU 143 0.120 -14.081 -8.318 1046 HA GLU 143 HA GLU 143 2.840 -13.281 -8.432 1047 HB2 GLU 143 2HB GLU 143 1.442 -15.938 -8.702 1048 HB3 GLU 143 1HB GLU 143 3.164 -15.680 -8.560 1049 HG2 GLU 143 2HG GLU 143 2.826 -14.778 -6.298 1050 HG3 GLU 143 1HG GLU 143 1.093 -15.064 -6.464 Start of MODEL 12 1 H1 MET 1 1HT MET 1 35.090 -1.666 21.408 2 H2 MET 1 2HT MET 1 36.747 -1.488 21.582 3 H3 MET 1 3HT MET 1 35.929 -2.599 22.558 4 HA MET 1 HA MET 1 37.166 -3.639 20.747 5 HB2 MET 1 2HB MET 1 34.173 -3.715 20.165 6 HB3 MET 1 1HB MET 1 35.351 -4.929 19.714 7 HG2 MET 1 2HG MET 1 35.751 -5.420 22.079 8 HG3 MET 1 1HG MET 1 34.535 -4.223 22.520 9 HE1 MET 1 2HE MET 1 34.430 -7.194 23.600 10 HE2 MET 1 3HE MET 1 32.719 -7.569 23.393 11 HE3 MET 1 1HE MET 1 33.210 -5.976 23.970 12 H SER 2 H SER 2 36.558 -4.050 18.148 13 HA SER 2 HA SER 2 37.244 -1.583 16.938 14 HB2 SER 2 2HB SER 2 36.284 -4.149 15.639 15 HB3 SER 2 1HB SER 2 37.135 -2.827 14.841 16 HG SER 2 HG SER 2 38.699 -4.161 15.262 17 H ASP 3 H ASP 3 35.957 -0.134 15.871 18 HA ASP 3 HA ASP 3 33.189 -0.811 15.363 19 HB2 ASP 3 2HB ASP 3 32.254 1.022 16.559 20 HB3 ASP 3 1HB ASP 3 33.357 0.253 17.685 21 H ASN 4 H ASN 4 32.257 0.621 13.830 22 HA ASN 4 HA ASN 4 33.876 2.673 12.656 23 HB2 ASN 4 2HB ASN 4 34.809 0.623 11.597 24 HB3 ASN 4 1HB ASN 4 33.196 0.174 11.065 25 HD21 ASN 4 1HD2 ASN 4 33.838 0.170 8.923 26 HD22 ASN 4 2HD2 ASN 4 34.120 1.615 8.039 27 H ASN 5 H ASN 5 32.536 4.081 11.528 28 HA ASN 5 HA ASN 5 29.755 3.619 11.919 29 HB2 ASN 5 2HB ASN 5 29.382 5.865 10.926 30 HB3 ASN 5 1HB ASN 5 30.517 5.899 12.258 31 HD21 ASN 5 1HD2 ASN 5 30.030 7.700 9.964 32 HD22 ASN 5 2HD2 ASN 5 31.561 7.918 9.201 33 H GLY 6 H GLY 6 29.309 1.841 10.727 34 HA2 GLY 6 2HA GLY 6 29.601 1.940 7.842 35 HA3 GLY 6 1HA GLY 6 28.868 0.636 8.780 36 H THR 7 H THR 7 27.546 3.143 10.095 37 HA THR 7 HA THR 7 25.035 2.893 8.806 38 HB THR 7 HB THR 7 25.772 5.002 10.798 39 HG1 THR 7 1HG THR 7 25.979 3.585 12.371 40 HG21 THR 7 3HG2 THR 7 23.460 4.854 9.960 41 HG22 THR 7 1HG2 THR 7 23.540 4.467 11.679 42 HG23 THR 7 2HG2 THR 7 23.379 3.174 10.489 43 HA PRO 8 HA PRO 8 26.122 6.442 6.155 44 HB2 PRO 8 2HB PRO 8 23.808 6.435 4.697 45 HB3 PRO 8 1HB PRO 8 25.169 5.365 4.342 46 HG2 PRO 8 2HG PRO 8 22.612 4.778 5.748 47 HG3 PRO 8 1HG PRO 8 23.549 3.756 4.647 48 HD2 PRO 8 2HD PRO 8 23.565 3.515 7.376 49 HD3 PRO 8 1HD PRO 8 24.895 2.980 6.329 50 H GLU 9 H GLU 9 25.334 8.611 6.149 51 HA GLU 9 HA GLU 9 23.837 9.192 8.532 52 HB2 GLU 9 2HB GLU 9 24.898 11.071 6.415 53 HB3 GLU 9 1HB GLU 9 24.179 11.561 7.937 54 HG2 GLU 9 2HG GLU 9 26.009 10.401 9.122 55 HG3 GLU 9 1HG GLU 9 26.753 10.060 7.559 56 HA PRO 10 HA PRO 10 20.013 9.253 6.295 57 HB2 PRO 10 2HB PRO 10 18.454 10.096 8.380 58 HB3 PRO 10 1HB PRO 10 18.987 8.422 8.186 59 HG2 PRO 10 2HG PRO 10 20.069 10.556 9.964 60 HG3 PRO 10 1HG PRO 10 19.859 8.827 10.285 61 HD2 PRO 10 2HD PRO 10 22.248 9.969 9.639 62 HD3 PRO 10 1HD PRO 10 21.842 8.278 9.276 63 H GLN 11 H GLN 11 19.219 10.851 5.098 64 HA GLN 11 HA GLN 11 20.060 13.534 5.798 65 HB2 GLN 11 2HB GLN 11 18.764 12.504 3.267 66 HB3 GLN 11 1HB GLN 11 19.375 14.135 3.508 67 HG2 GLN 11 2HG GLN 11 21.640 13.211 3.829 68 HG3 GLN 11 1HG GLN 11 21.008 11.604 3.495 69 HE21 GLN 11 1HE2 GLN 11 22.244 11.295 1.689 70 HE22 GLN 11 2HE2 GLN 11 22.008 12.164 0.214 71 H VAL 12 H VAL 12 18.618 15.233 5.970 72 HA VAL 12 HA VAL 12 16.016 14.282 6.889 73 HB VAL 12 HB VAL 12 17.561 16.755 7.743 74 HG11 VAL 12 1HG1 VAL 12 14.988 15.610 8.819 75 HG12 VAL 12 2HG1 VAL 12 15.155 17.109 7.905 76 HG13 VAL 12 3HG1 VAL 12 15.871 16.966 9.512 77 HG21 VAL 12 3HG2 VAL 12 17.867 15.601 9.883 78 HG22 VAL 12 1HG2 VAL 12 18.601 14.699 8.556 79 HG23 VAL 12 2HG2 VAL 12 17.058 14.175 9.232 80 H GLU 13 H GLU 13 14.266 15.085 6.075 81 HA GLU 13 HA GLU 13 14.301 17.459 4.457 82 HB2 GLU 13 2HB GLU 13 14.697 15.549 2.902 83 HB3 GLU 13 1HB GLU 13 13.248 14.768 3.512 84 HG2 GLU 13 2HG GLU 13 12.979 15.880 1.315 85 HG3 GLU 13 1HG GLU 13 11.854 16.442 2.549 86 H THR 14 H THR 14 12.048 18.151 4.132 87 HA THR 14 HA THR 14 10.869 18.227 6.713 88 HB THR 14 HB THR 14 9.881 19.399 4.109 89 HG1 THR 14 1HG THR 14 12.053 20.037 5.011 90 HG21 THR 14 3HG2 THR 14 8.129 19.318 5.834 91 HG22 THR 14 1HG2 THR 14 8.657 20.978 5.543 92 HG23 THR 14 2HG2 THR 14 9.216 20.106 6.973 93 H TPO 15 H TPO 15 9.360 16.923 7.511 94 HA TPO 15 HA TPO 15 7.390 15.777 5.675 95 HB TPO 15 HB TPO 15 7.892 15.135 8.642 96 HG21 TPO 15 1HG2 TPO 15 6.419 13.240 8.299 97 HG22 TPO 15 2HG2 TPO 15 6.251 13.648 6.595 98 HG23 TPO 15 3HG2 TPO 15 5.575 14.718 7.818 99 H SER 16 H SER 16 5.537 16.963 5.627 100 HA SER 16 HA SER 16 5.586 19.304 7.335 101 HB2 SER 16 2HB SER 16 4.007 18.728 4.834 102 HB3 SER 16 1HB SER 16 4.001 20.255 5.714 103 HG SER 16 HG SER 16 6.351 19.043 4.769 104 H VAL 17 H VAL 17 3.839 20.011 8.505 105 HA VAL 17 HA VAL 17 2.188 17.850 9.467 106 HB VAL 17 HB VAL 17 2.123 20.747 10.333 107 HG11 VAL 17 1HG1 VAL 17 1.254 18.215 11.723 108 HG12 VAL 17 2HG1 VAL 17 0.198 19.433 11.014 109 HG13 VAL 17 3HG1 VAL 17 1.194 19.837 12.414 110 HG21 VAL 17 3HG2 VAL 17 3.814 18.510 11.452 111 HG22 VAL 17 1HG2 VAL 17 3.627 20.109 12.177 112 HG23 VAL 17 2HG2 VAL 17 4.397 19.938 10.599 113 H PHE 18 H PHE 18 0.418 17.383 8.495 114 HA PHE 18 HA PHE 18 -1.186 19.538 7.335 115 HB2 PHE 18 2HB PHE 18 -0.871 16.710 6.324 116 HB3 PHE 18 1HB PHE 18 -2.066 17.851 5.737 117 HD1 PHE 18 1HD PHE 18 -0.961 20.187 4.990 118 HD2 PHE 18 2HD PHE 18 0.995 16.415 5.047 119 HE1 PHE 18 1HE PHE 18 0.614 20.976 3.275 120 HE2 PHE 18 2HE PHE 18 2.571 17.195 3.354 121 HZ PHE 18 HZ PHE 18 2.384 19.468 2.458 122 H ARG 19 H ARG 19 -2.885 19.808 8.558 123 HA ARG 19 HA ARG 19 -4.153 17.588 9.873 124 HB2 ARG 19 2HB ARG 19 -4.283 19.812 10.927 125 HB3 ARG 19 1HB ARG 19 -5.026 20.465 9.474 126 HG2 ARG 19 2HG ARG 19 -6.988 19.065 9.821 127 HG3 ARG 19 1HG ARG 19 -6.245 18.359 11.258 128 HD2 ARG 19 2HD ARG 19 -7.877 20.115 11.792 129 HD3 ARG 19 1HD ARG 19 -6.253 20.506 12.362 130 HE ARG 19 HE ARG 19 -6.660 21.607 9.805 131 HH11 ARG 19 1HH1 ARG 19 -7.848 22.061 13.089 132 HH12 ARG 19 2HH1 ARG 19 -7.975 23.752 12.993 133 HH21 ARG 19 1HH2 ARG 19 -6.898 23.885 9.589 134 HH22 ARG 19 2HH2 ARG 19 -7.432 24.836 10.892 135 H ALA 20 H ALA 20 -4.899 16.193 8.457 136 HA ALA 20 HA ALA 20 -5.761 16.821 5.878 137 HB1 ALA 20 1HB ALA 20 -6.488 14.504 5.774 138 HB2 ALA 20 2HB ALA 20 -6.341 14.362 7.524 139 HB3 ALA 20 3HB ALA 20 -4.902 14.622 6.537 140 H ASP 21 H ASP 21 -7.441 18.079 5.514 141 HA ASP 21 HA ASP 21 -9.648 18.519 7.190 142 HB2 ASP 21 2HB ASP 21 -8.968 20.064 5.381 143 HB3 ASP 21 1HB ASP 21 -9.483 18.887 4.184 144 H LEU 22 H LEU 22 -8.971 16.092 4.978 145 HA LEU 22 HA LEU 22 -11.559 15.104 4.500 146 HB2 LEU 22 2HB LEU 22 -10.431 12.976 3.750 147 HB3 LEU 22 1HB LEU 22 -10.018 14.428 2.881 148 HG LEU 22 HG LEU 22 -8.168 13.470 5.051 149 HD11 LEU 22 1HD1 LEU 22 -7.039 12.066 3.394 150 HD12 LEU 22 2HD1 LEU 22 -8.316 12.408 2.223 151 HD13 LEU 22 3HD1 LEU 22 -8.677 11.487 3.684 152 HD21 LEU 22 3HD2 LEU 22 -7.772 14.822 2.368 153 HD22 LEU 22 1HD2 LEU 22 -6.490 14.384 3.483 154 HD23 LEU 22 2HD2 LEU 22 -7.642 15.619 3.935 155 H LEU 23 H LEU 23 -9.935 15.117 7.402 156 HA LEU 23 HA LEU 23 -10.559 12.674 8.504 157 HB2 LEU 23 2HB LEU 23 -10.467 13.835 10.686 158 HB3 LEU 23 1HB LEU 23 -9.103 14.197 9.663 159 HG LEU 23 HG LEU 23 -10.336 16.413 9.146 160 HD11 LEU 23 1HD1 LEU 23 -11.845 17.238 10.868 161 HD12 LEU 23 2HD1 LEU 23 -11.824 15.657 11.650 162 HD13 LEU 23 3HD1 LEU 23 -12.521 15.831 10.042 163 HD21 LEU 23 3HD2 LEU 23 -8.318 16.292 10.479 164 HD22 LEU 23 1HD2 LEU 23 -9.266 15.878 11.908 165 HD23 LEU 23 2HD2 LEU 23 -9.438 17.469 11.163 166 H LYS 24 H LYS 24 -12.626 15.254 7.615 167 HA LYS 24 HA LYS 24 -14.866 14.668 9.238 168 HB2 LYS 24 2HB LYS 24 -14.643 16.050 6.571 169 HB3 LYS 24 1HB LYS 24 -16.126 15.989 7.510 170 HG2 LYS 24 2HG LYS 24 -15.123 17.243 9.302 171 HG3 LYS 24 1HG LYS 24 -13.545 17.166 8.525 172 HD2 LYS 24 2HD LYS 24 -15.971 18.581 7.399 173 HD3 LYS 24 1HD LYS 24 -14.632 19.368 8.238 174 HE2 LYS 24 2HE LYS 24 -13.095 18.406 6.518 175 HE3 LYS 24 1HE LYS 24 -14.519 17.844 5.651 176 HZ1 LYS 24 3HZ LYS 24 -13.523 19.905 4.887 177 HZ2 LYS 24 1HZ LYS 24 -13.984 20.679 6.295 178 HZ3 LYS 24 2HZ LYS 24 -15.179 20.082 5.242 179 H GLU 25 H GLU 25 -13.679 13.332 6.239 180 HA GLU 25 HA GLU 25 -16.068 11.953 5.621 181 HB2 GLU 25 2HB GLU 25 -13.240 11.552 4.674 182 HB3 GLU 25 1HB GLU 25 -14.561 10.535 4.135 183 HG2 GLU 25 2HG GLU 25 -14.280 12.126 2.443 184 HG3 GLU 25 1HG GLU 25 -15.684 12.675 3.348 185 H MET 26 H MET 26 -13.425 11.317 7.723 186 HA MET 26 HA MET 26 -13.827 8.513 8.028 187 HB2 MET 26 2HB MET 26 -12.782 10.482 10.065 188 HB3 MET 26 1HB MET 26 -12.668 8.743 10.213 189 HG2 MET 26 2HG MET 26 -11.281 8.770 8.123 190 HG3 MET 26 1HG MET 26 -11.262 10.526 8.250 191 HE1 MET 26 3HE MET 26 -10.306 11.793 10.496 192 HE2 MET 26 1HE MET 26 -9.499 10.939 11.811 193 HE3 MET 26 2HE MET 26 -11.229 10.729 11.558 194 H GLU 27 H GLU 27 -15.121 11.361 9.572 195 HA GLU 27 HA GLU 27 -16.641 10.177 11.610 196 HB2 GLU 27 2HB GLU 27 -17.349 12.666 10.069 197 HB3 GLU 27 1HB GLU 27 -17.799 12.275 11.723 198 HG2 GLU 27 2HG GLU 27 -15.478 12.474 12.416 199 HG3 GLU 27 1HG GLU 27 -14.999 12.808 10.753 200 H SER 28 H SER 28 -17.373 10.983 8.251 201 HA SER 28 HA SER 28 -20.066 10.135 8.321 202 HB2 SER 28 2HB SER 28 -18.200 10.506 5.971 203 HB3 SER 28 1HB SER 28 -19.964 10.445 5.909 204 HG SER 28 HG SER 28 -20.011 12.276 7.232 205 H SER 29 H SER 29 -17.023 8.512 7.763 206 HA SER 29 HA SER 29 -18.166 6.195 6.581 207 HB2 SER 29 2HB SER 29 -15.459 6.578 7.894 208 HB3 SER 29 1HB SER 29 -15.928 5.185 6.919 209 HG SER 29 HG SER 29 -15.964 7.870 5.970 210 H THR 30 H THR 30 -17.513 7.310 9.781 211 HA THR 30 HA THR 30 -17.705 4.969 11.271 212 HB THR 30 HB THR 30 -18.551 7.789 11.998 213 HG1 THR 30 1HG THR 30 -16.205 6.945 11.306 214 HG21 THR 30 3HG2 THR 30 -19.363 6.114 13.619 215 HG22 THR 30 1HG2 THR 30 -18.086 7.107 14.322 216 HG23 THR 30 2HG2 THR 30 -17.724 5.474 13.766 217 H GLY 31 H GLY 31 -19.380 3.708 11.760 218 HA2 GLY 31 2HA GLY 31 -21.857 3.808 12.347 219 HA3 GLY 31 1HA GLY 31 -22.001 4.407 10.688 220 H THR 32 H THR 32 -20.081 3.051 9.453 221 HA THR 32 HA THR 32 -20.797 0.251 9.813 222 HB THR 32 HB THR 32 -19.943 1.699 7.277 223 HG1 THR 32 1HG THR 32 -22.154 1.998 8.129 224 HG21 THR 32 3HG2 THR 32 -20.441 -0.436 6.145 225 HG22 THR 32 1HG2 THR 32 -20.799 -1.171 7.707 226 HG23 THR 32 2HG2 THR 32 -19.160 -0.635 7.342 227 H ALA 33 H ALA 33 -19.131 -0.922 10.519 228 HA ALA 33 HA ALA 33 -16.492 0.267 10.544 229 HB1 ALA 33 1HB ALA 33 -17.519 -2.286 11.808 230 HB2 ALA 33 2HB ALA 33 -17.330 -0.727 12.615 231 HB3 ALA 33 3HB ALA 33 -15.910 -1.600 12.041 232 HA PRO 34 HA PRO 34 -15.368 -2.236 7.009 233 HB2 PRO 34 2HB PRO 34 -12.555 -1.954 7.740 234 HB3 PRO 34 1HB PRO 34 -13.409 -1.263 6.362 235 HG2 PRO 34 2HG PRO 34 -12.490 0.240 8.425 236 HG3 PRO 34 1HG PRO 34 -13.938 0.667 7.495 237 HD2 PRO 34 2HD PRO 34 -13.720 -0.637 10.182 238 HD3 PRO 34 1HD PRO 34 -14.840 0.625 9.613 239 H ALA 35 H ALA 35 -14.909 -4.349 6.644 240 HA ALA 35 HA ALA 35 -14.100 -5.950 8.946 241 HB1 ALA 35 1HB ALA 35 -15.430 -6.763 6.354 242 HB2 ALA 35 2HB ALA 35 -16.236 -6.571 7.912 243 HB3 ALA 35 3HB ALA 35 -15.038 -7.848 7.689 244 H SER 36 H SER 36 -12.135 -6.790 8.948 245 HA SER 36 HA SER 36 -10.749 -7.131 6.408 246 HB2 SER 36 2HB SER 36 -9.504 -5.853 8.864 247 HB3 SER 36 1HB SER 36 -8.812 -6.022 7.244 248 HG SER 36 HG SER 36 -11.023 -4.836 6.827 249 H THR 37 H THR 37 -10.407 -9.274 6.362 250 HA THR 37 HA THR 37 -8.937 -10.580 8.480 251 HB THR 37 HB THR 37 -11.623 -11.671 7.521 252 HG1 THR 37 1HG THR 37 -10.893 -10.041 9.583 253 HG21 THR 37 3HG2 THR 37 -11.306 -13.377 9.272 254 HG22 THR 37 1HG2 THR 37 -9.750 -12.661 9.696 255 HG23 THR 37 2HG2 THR 37 -9.974 -13.418 8.120 256 H GLY 38 H GLY 38 -7.657 -12.274 7.562 257 HA2 GLY 38 2HA GLY 38 -7.845 -13.951 5.629 258 HA3 GLY 38 1HA GLY 38 -7.905 -12.500 4.639 259 H ALA 39 H ALA 39 -6.038 -11.421 6.878 260 HA ALA 39 HA ALA 39 -3.660 -11.862 5.321 261 HB1 ALA 39 1HB ALA 39 -4.101 -9.655 6.284 262 HB2 ALA 39 2HB ALA 39 -2.579 -10.314 6.887 263 HB3 ALA 39 3HB ALA 39 -4.018 -10.342 7.907 264 H GLU 40 H GLU 40 -5.051 -12.942 8.281 265 HA GLU 40 HA GLU 40 -2.689 -14.239 9.260 266 HB2 GLU 40 2HB GLU 40 -4.239 -15.159 11.005 267 HB3 GLU 40 1HB GLU 40 -4.176 -13.411 10.919 268 HG2 GLU 40 2HG GLU 40 -6.346 -14.887 9.478 269 HG3 GLU 40 1HG GLU 40 -6.454 -14.631 11.216 270 H ASN 41 H ASN 41 -4.502 -14.961 6.754 271 HA ASN 41 HA ASN 41 -4.784 -17.820 7.236 272 HB2 ASN 41 2HB ASN 41 -5.471 -16.164 4.783 273 HB3 ASN 41 1HB ASN 41 -5.780 -17.883 4.953 274 HD21 ASN 41 1HD2 ASN 41 -7.974 -17.592 4.650 275 HD22 ASN 41 2HD2 ASN 41 -9.008 -16.895 5.834 276 H LEU 42 H LEU 42 -2.757 -15.525 5.718 277 HA LEU 42 HA LEU 42 -1.043 -15.577 4.281 278 HB2 LEU 42 2HB LEU 42 -0.338 -17.800 6.147 279 HB3 LEU 42 1HB LEU 42 0.759 -17.329 4.867 280 HG LEU 42 HG LEU 42 0.683 -14.991 5.928 281 HD11 LEU 42 1HD1 LEU 42 -0.437 -16.564 8.225 282 HD12 LEU 42 2HD1 LEU 42 -1.260 -15.289 7.329 283 HD13 LEU 42 3HD1 LEU 42 0.161 -14.906 8.303 284 HD21 LEU 42 3HD2 LEU 42 1.920 -17.289 7.421 285 HD22 LEU 42 1HD2 LEU 42 2.384 -15.594 7.579 286 HD23 LEU 42 2HD2 LEU 42 2.612 -16.430 6.044 287 HA PRO 43 HA PRO 43 -2.461 -18.750 1.313 288 HB2 PRO 43 2HB PRO 43 -2.627 -16.965 -0.788 289 HB3 PRO 43 1HB PRO 43 -3.975 -17.373 0.275 290 HG2 PRO 43 2HG PRO 43 -2.224 -14.973 0.270 291 HG3 PRO 43 1HG PRO 43 -3.941 -15.114 0.675 292 HD2 PRO 43 2HD PRO 43 -1.940 -14.877 2.523 293 HD3 PRO 43 1HD PRO 43 -3.500 -15.648 2.854 294 H ALA 44 H ALA 44 -0.507 -15.995 0.222 295 HA ALA 44 HA ALA 44 1.409 -17.856 -0.989 296 HB1 ALA 44 1HB ALA 44 2.210 -15.926 -2.236 297 HB2 ALA 44 2HB ALA 44 1.115 -14.878 -1.335 298 HB3 ALA 44 3HB ALA 44 0.466 -16.113 -2.415 299 H GLY 45 H GLY 45 1.066 -15.965 1.763 300 HA2 GLY 45 2HA GLY 45 2.581 -15.542 3.495 301 HA3 GLY 45 1HA GLY 45 3.836 -16.305 2.521 302 H SER 46 H SER 46 2.012 -13.939 0.956 303 HA SER 46 HA SER 46 3.640 -11.676 1.617 304 HB2 SER 46 2HB SER 46 3.455 -12.793 -1.215 305 HB3 SER 46 1HB SER 46 4.273 -11.299 -0.745 306 HG SER 46 HG SER 46 5.113 -13.278 0.793 307 H ALA 47 H ALA 47 2.567 -9.735 0.284 308 HA ALA 47 HA ALA 47 -0.186 -10.256 -0.324 309 HB1 ALA 47 1HB ALA 47 -0.214 -10.168 2.106 310 HB2 ALA 47 2HB ALA 47 -1.071 -8.798 1.394 311 HB3 ALA 47 3HB ALA 47 0.553 -8.581 2.055 312 H LEU 48 H LEU 48 -1.322 -8.252 -1.023 313 HA LEU 48 HA LEU 48 0.634 -6.418 -2.152 314 HB2 LEU 48 2HB LEU 48 -0.670 -6.363 -4.245 315 HB3 LEU 48 1HB LEU 48 0.026 -7.927 -3.915 316 HG LEU 48 HG LEU 48 -2.317 -8.595 -3.065 317 HD11 LEU 48 1HD1 LEU 48 -4.191 -7.386 -4.034 318 HD12 LEU 48 2HD1 LEU 48 -3.088 -6.165 -4.666 319 HD13 LEU 48 3HD1 LEU 48 -3.281 -6.359 -2.923 320 HD21 LEU 48 3HD2 LEU 48 -3.029 -9.198 -5.268 321 HD22 LEU 48 1HD2 LEU 48 -1.279 -9.359 -5.168 322 HD23 LEU 48 2HD2 LEU 48 -1.999 -7.966 -5.986 323 H LEU 49 H LEU 49 -0.101 -4.345 -2.616 324 HA LEU 49 HA LEU 49 -2.683 -3.694 -1.474 325 HB2 LEU 49 2HB LEU 49 -1.774 -1.511 -0.644 326 HB3 LEU 49 1HB LEU 49 -1.159 -2.908 0.196 327 HG LEU 49 HG LEU 49 0.937 -2.649 -1.269 328 HD11 LEU 49 1HD1 LEU 49 -0.219 0.103 -1.681 329 HD12 LEU 49 2HD1 LEU 49 0.041 -1.114 -2.926 330 HD13 LEU 49 3HD1 LEU 49 1.422 -0.406 -2.083 331 HD21 LEU 49 3HD2 LEU 49 0.252 -0.556 0.784 332 HD22 LEU 49 1HD2 LEU 49 1.880 -0.971 0.245 333 HD23 LEU 49 2HD2 LEU 49 0.900 -2.164 1.098 334 H VAL 50 H VAL 50 -3.872 -2.212 -2.538 335 HA VAL 50 HA VAL 50 -2.762 -1.431 -5.139 336 HB VAL 50 HB VAL 50 -4.529 -3.137 -5.396 337 HG11 VAL 50 1HG1 VAL 50 -5.860 -2.741 -3.431 338 HG12 VAL 50 2HG1 VAL 50 -6.876 -2.654 -4.869 339 HG13 VAL 50 3HG1 VAL 50 -6.371 -1.172 -4.053 340 HG21 VAL 50 3HG2 VAL 50 -5.384 -0.413 -6.382 341 HG22 VAL 50 1HG2 VAL 50 -5.966 -1.954 -7.014 342 HG23 VAL 50 2HG2 VAL 50 -4.267 -1.512 -7.186 343 H VAL 51 H VAL 51 -2.865 0.630 -5.731 344 HA VAL 51 HA VAL 51 -3.764 2.545 -3.733 345 HB VAL 51 HB VAL 51 -2.624 3.184 -6.451 346 HG11 VAL 51 1HG1 VAL 51 -2.581 4.708 -3.853 347 HG12 VAL 51 2HG1 VAL 51 -3.600 5.049 -5.247 348 HG13 VAL 51 3HG1 VAL 51 -1.851 5.243 -5.366 349 HG21 VAL 51 3HG2 VAL 51 -0.372 3.273 -5.464 350 HG22 VAL 51 1HG2 VAL 51 -1.043 1.642 -5.421 351 HG23 VAL 51 2HG2 VAL 51 -1.014 2.625 -3.954 352 H LYS 52 H LYS 52 -5.728 3.243 -3.773 353 HA LYS 52 HA LYS 52 -7.389 2.928 -6.146 354 HB2 LYS 52 2HB LYS 52 -8.013 3.614 -3.289 355 HB3 LYS 52 1HB LYS 52 -9.227 3.703 -4.545 356 HG2 LYS 52 2HG LYS 52 -7.689 1.222 -3.777 357 HG3 LYS 52 1HG LYS 52 -9.313 1.614 -3.224 358 HD2 LYS 52 2HD LYS 52 -8.494 1.180 -6.110 359 HD3 LYS 52 1HD LYS 52 -9.333 0.012 -5.096 360 HE2 LYS 52 2HE LYS 52 -11.256 1.510 -4.904 361 HE3 LYS 52 1HE LYS 52 -10.411 2.740 -5.837 362 HZ1 LYS 52 3HZ LYS 52 -11.982 1.499 -7.194 363 HZ2 LYS 52 1HZ LYS 52 -11.171 0.063 -6.847 364 HZ3 LYS 52 2HZ LYS 52 -10.403 1.282 -7.725 365 H ARG 53 H ARG 53 -5.922 5.421 -4.224 366 HA ARG 53 HA ARG 53 -6.887 7.377 -6.146 367 HB2 ARG 53 2HB ARG 53 -8.536 7.366 -4.290 368 HB3 ARG 53 1HB ARG 53 -7.247 7.748 -3.162 369 HG2 ARG 53 2HG ARG 53 -8.457 9.753 -3.654 370 HG3 ARG 53 1HG ARG 53 -6.862 9.864 -4.396 371 HD2 ARG 53 2HD ARG 53 -8.555 10.679 -5.935 372 HD3 ARG 53 1HD ARG 53 -7.846 9.194 -6.555 373 HE ARG 53 HE ARG 53 -10.231 8.836 -5.010 374 HH11 ARG 53 1HH1 ARG 53 -8.929 9.250 -8.283 375 HH12 ARG 53 2HH1 ARG 53 -10.373 8.786 -9.067 376 HH21 ARG 53 1HH2 ARG 53 -12.197 8.134 -6.132 377 HH22 ARG 53 2HH2 ARG 53 -12.226 8.136 -7.838 378 H GLY 54 H GLY 54 -5.412 8.906 -6.581 379 HA2 GLY 54 2HA GLY 54 -3.715 10.416 -5.507 380 HA3 GLY 54 1HA GLY 54 -2.948 8.916 -4.984 381 HA PRO 55 HA PRO 55 -1.411 10.291 -9.322 382 HB2 PRO 55 2HB PRO 55 1.253 10.020 -8.455 383 HB3 PRO 55 1HB PRO 55 0.406 11.535 -8.760 384 HG2 PRO 55 2HG PRO 55 0.916 10.120 -6.197 385 HG3 PRO 55 1HG PRO 55 0.802 11.859 -6.519 386 HD2 PRO 55 2HD PRO 55 -1.169 10.524 -5.289 387 HD3 PRO 55 1HD PRO 55 -1.514 11.850 -6.417 388 H ASN 56 H ASN 56 -0.388 7.862 -6.958 389 HA ASN 56 HA ASN 56 0.513 6.073 -9.058 390 HB2 ASN 56 2HB ASN 56 0.363 5.677 -6.065 391 HB3 ASN 56 1HB ASN 56 1.013 4.502 -7.194 392 HD21 ASN 56 1HD2 ASN 56 3.024 4.508 -6.295 393 HD22 ASN 56 2HD2 ASN 56 4.098 5.853 -6.366 394 H ALA 57 H ALA 57 -2.522 6.832 -8.331 395 HA ALA 57 HA ALA 57 -3.786 4.472 -7.509 396 HB1 ALA 57 1HB ALA 57 -4.913 6.646 -7.574 397 HB2 ALA 57 2HB ALA 57 -5.827 5.407 -8.436 398 HB3 ALA 57 3HB ALA 57 -4.886 6.598 -9.337 399 H GLY 58 H GLY 58 -4.502 2.700 -8.499 400 HA2 GLY 58 2HA GLY 58 -5.153 1.432 -10.404 401 HA3 GLY 58 1HA GLY 58 -4.145 2.471 -11.408 402 H ALA 59 H ALA 59 -2.110 2.200 -9.097 403 HA ALA 59 HA ALA 59 -0.838 -0.129 -10.248 404 HB1 ALA 59 1HB ALA 59 0.250 1.911 -8.311 405 HB2 ALA 59 2HB ALA 59 0.465 1.934 -10.063 406 HB3 ALA 59 3HB ALA 59 1.174 0.636 -9.105 407 H ARG 60 H ARG 60 -0.364 -1.934 -9.168 408 HA ARG 60 HA ARG 60 -1.177 -2.082 -6.372 409 HB2 ARG 60 2HB ARG 60 -1.810 -4.478 -6.809 410 HB3 ARG 60 1HB ARG 60 -2.851 -3.313 -7.604 411 HG2 ARG 60 2HG ARG 60 -1.729 -3.716 -9.721 412 HG3 ARG 60 1HG ARG 60 -0.614 -4.832 -8.933 413 HD2 ARG 60 2HD ARG 60 -2.463 -6.306 -8.358 414 HD3 ARG 60 1HD ARG 60 -3.608 -5.174 -9.071 415 HE ARG 60 HE ARG 60 -2.439 -5.590 -11.211 416 HH11 ARG 60 1HH1 ARG 60 -2.203 -8.054 -8.686 417 HH12 ARG 60 2HH1 ARG 60 -2.177 -9.377 -9.755 418 HH21 ARG 60 1HH2 ARG 60 -2.362 -7.407 -12.695 419 HH22 ARG 60 2HH2 ARG 60 -2.218 -8.990 -12.104 420 H PHE 61 H PHE 61 0.257 -3.015 -5.056 421 HA PHE 61 HA PHE 61 2.772 -3.885 -6.320 422 HB2 PHE 61 2HB PHE 61 2.441 -2.316 -3.753 423 HB3 PHE 61 1HB PHE 61 3.964 -2.918 -4.383 424 HD1 PHE 61 1HD PHE 61 4.934 -1.919 -6.421 425 HD2 PHE 61 2HD PHE 61 1.427 -0.331 -4.603 426 HE1 PHE 61 1HE PHE 61 5.241 0.179 -7.671 427 HE2 PHE 61 2HE PHE 61 1.726 1.769 -5.851 428 HZ PHE 61 HZ PHE 61 3.633 2.028 -7.386 429 H LEU 62 H LEU 62 3.101 -5.944 -5.953 430 HA LEU 62 HA LEU 62 2.011 -7.260 -3.615 431 HB2 LEU 62 2HB LEU 62 1.960 -8.414 -5.779 432 HB3 LEU 62 1HB LEU 62 3.697 -8.266 -5.919 433 HG LEU 62 HG LEU 62 3.961 -9.802 -3.999 434 HD11 LEU 62 1HD1 LEU 62 2.043 -11.079 -3.202 435 HD12 LEU 62 2HD1 LEU 62 0.966 -10.078 -4.176 436 HD13 LEU 62 3HD1 LEU 62 1.871 -9.362 -2.841 437 HD21 LEU 62 3HD2 LEU 62 2.270 -10.839 -6.269 438 HD22 LEU 62 1HD2 LEU 62 3.242 -11.831 -5.182 439 HD23 LEU 62 2HD2 LEU 62 4.025 -10.676 -6.258 440 H LEU 63 H LEU 63 3.094 -7.054 -1.765 441 HA LEU 63 HA LEU 63 5.957 -6.592 -1.890 442 HB2 LEU 63 2HB LEU 63 4.079 -6.343 0.471 443 HB3 LEU 63 1HB LEU 63 5.791 -6.013 0.511 444 HG LEU 63 HG LEU 63 4.829 -3.923 0.467 445 HD11 LEU 63 1HD1 LEU 63 5.453 -4.500 -2.403 446 HD12 LEU 63 2HD1 LEU 63 6.585 -4.014 -1.138 447 HD13 LEU 63 3HD1 LEU 63 5.329 -2.898 -1.677 448 HD21 LEU 63 3HD2 LEU 63 2.532 -4.534 0.024 449 HD22 LEU 63 1HD2 LEU 63 2.918 -4.849 -1.669 450 HD23 LEU 63 2HD2 LEU 63 3.021 -3.209 -1.032 451 H ASP 64 H ASP 64 7.203 -8.202 -1.744 452 HA ASP 64 HA ASP 64 6.474 -10.499 -0.060 453 HB2 ASP 64 2HB ASP 64 7.676 -11.923 -1.621 454 HB3 ASP 64 1HB ASP 64 6.514 -10.969 -2.526 455 H GLN 65 H GLN 65 8.022 -7.890 0.248 456 HA GLN 65 HA GLN 65 10.659 -8.958 1.018 457 HB2 GLN 65 2HB GLN 65 11.450 -6.624 0.872 458 HB3 GLN 65 1HB GLN 65 10.775 -7.161 -0.657 459 HG2 GLN 65 2HG GLN 65 8.671 -6.024 -0.074 460 HG3 GLN 65 1HG GLN 65 9.431 -5.432 1.395 461 HE21 GLN 65 1HE2 GLN 65 12.031 -4.983 -0.002 462 HE22 GLN 65 2HE2 GLN 65 11.734 -3.572 -0.945 463 HA PRO 66 HA PRO 66 9.634 -8.197 5.243 464 HB2 PRO 66 2HB PRO 66 12.002 -7.373 6.300 465 HB3 PRO 66 1HB PRO 66 11.646 -9.053 5.885 466 HG2 PRO 66 2HG PRO 66 13.182 -7.004 4.342 467 HG3 PRO 66 1HG PRO 66 13.534 -8.725 4.591 468 HD2 PRO 66 2HD PRO 66 12.450 -7.787 2.310 469 HD3 PRO 66 1HD PRO 66 12.059 -9.392 2.953 470 H THR 67 H THR 67 10.895 -5.474 3.428 471 HA THR 67 HA THR 67 9.381 -3.696 5.133 472 HB THR 67 HB THR 67 12.380 -3.300 4.868 473 HG1 THR 67 1HG THR 67 10.876 -4.605 6.640 474 HG21 THR 67 3HG2 THR 67 10.302 -1.620 6.299 475 HG22 THR 67 1HG2 THR 67 11.160 -1.159 4.828 476 HG23 THR 67 2HG2 THR 67 12.044 -1.352 6.340 477 H THR 68 H THR 68 8.402 -2.257 3.915 478 HA THR 68 HA THR 68 9.653 -1.340 1.412 479 HB THR 68 HB THR 68 6.694 -1.624 2.022 480 HG1 THR 68 1HG THR 68 8.206 -3.296 0.317 481 HG21 THR 68 3HG2 THR 68 6.410 -1.333 -0.381 482 HG22 THR 68 1HG2 THR 68 8.160 -1.266 -0.596 483 HG23 THR 68 2HG2 THR 68 7.332 0.023 0.277 484 H THR 69 H THR 69 10.260 0.785 1.919 485 HA THR 69 HA THR 69 8.646 2.271 3.796 486 HB THR 69 HB THR 69 11.193 3.074 2.336 487 HG1 THR 69 1HG THR 69 10.992 2.440 5.103 488 HG21 THR 69 3HG2 THR 69 9.886 5.035 3.085 489 HG22 THR 69 1HG2 THR 69 11.369 4.859 4.023 490 HG23 THR 69 2HG2 THR 69 9.822 4.365 4.713 491 H ALA 70 H ALA 70 7.339 4.066 3.287 492 HA ALA 70 HA ALA 70 6.993 4.572 0.432 493 HB1 ALA 70 1HB ALA 70 4.611 4.863 0.875 494 HB2 ALA 70 2HB ALA 70 4.876 4.482 2.578 495 HB3 ALA 70 3HB ALA 70 5.149 3.251 1.346 496 H GLY 71 H GLY 71 6.962 6.625 -0.171 497 HA2 GLY 71 2HA GLY 71 6.088 8.859 1.068 498 HA3 GLY 71 1HA GLY 71 7.765 8.670 1.605 499 H ARG 72 H ARG 72 8.207 10.643 0.318 500 HA ARG 72 HA ARG 72 8.432 9.888 -2.511 501 HB2 ARG 72 2HB ARG 72 6.950 11.827 -2.181 502 HB3 ARG 72 1HB ARG 72 8.217 12.648 -1.279 503 HG2 ARG 72 2HG ARG 72 9.622 12.656 -3.285 504 HG3 ARG 72 1HG ARG 72 8.333 11.863 -4.182 505 HD2 ARG 72 2HD ARG 72 6.870 13.797 -3.745 506 HD3 ARG 72 1HD ARG 72 8.201 14.587 -2.897 507 HE ARG 72 HE ARG 72 9.278 13.998 -5.274 508 HH11 ARG 72 1HH1 ARG 72 6.378 15.847 -4.339 509 HH12 ARG 72 2HH1 ARG 72 6.317 16.722 -5.784 510 HH21 ARG 72 1HH2 ARG 72 9.135 15.228 -7.281 511 HH22 ARG 72 2HH2 ARG 72 7.862 16.345 -7.480 512 H HIS 73 H HIS 73 10.390 9.311 -2.902 513 HA HIS 73 HA HIS 73 12.628 10.624 -3.242 514 HB2 HIS 73 2HB HIS 73 12.356 10.371 -0.348 515 HB3 HIS 73 1HB HIS 73 13.750 9.443 -0.906 516 HD1 HIS 73 1HD HIS 73 15.835 10.756 -1.402 517 HD2 HIS 73 2HD HIS 73 12.457 13.141 -1.096 518 HE1 HIS 73 1HE HIS 73 16.625 13.144 -1.682 519 HA PRO 74 HA PRO 74 13.587 6.465 -4.524 520 HB2 PRO 74 2HB PRO 74 16.336 6.544 -4.616 521 HB3 PRO 74 1HB PRO 74 15.293 7.213 -5.871 522 HG2 PRO 74 2HG PRO 74 16.677 8.613 -3.619 523 HG3 PRO 74 1HG PRO 74 16.480 9.125 -5.307 524 HD2 PRO 74 2HD PRO 74 14.967 10.125 -3.315 525 HD3 PRO 74 1HD PRO 74 14.320 9.882 -4.949 526 H GLU 75 H GLU 75 14.626 7.779 -1.606 527 HA GLU 75 HA GLU 75 15.849 5.499 -0.412 528 HB2 GLU 75 2HB GLU 75 14.706 8.053 0.696 529 HB3 GLU 75 1HB GLU 75 15.259 6.774 1.758 530 HG2 GLU 75 2HG GLU 75 16.921 8.577 1.404 531 HG3 GLU 75 1HG GLU 75 17.500 6.977 0.961 532 H SER 76 H SER 76 12.633 6.401 -1.080 533 HA SER 76 HA SER 76 11.533 4.468 0.773 534 HB2 SER 76 2HB SER 76 10.243 6.265 -1.313 535 HB3 SER 76 1HB SER 76 9.361 5.189 -0.228 536 HG SER 76 HG SER 76 11.104 7.238 0.702 537 H ASP 77 H ASP 77 10.409 2.615 -0.076 538 HA ASP 77 HA ASP 77 11.834 1.499 -2.329 539 HB2 ASP 77 2HB ASP 77 11.208 0.177 -0.252 540 HB3 ASP 77 1HB ASP 77 9.542 0.236 -0.822 541 H ILE 78 H ILE 78 8.505 2.343 -1.515 542 HA ILE 78 HA ILE 78 7.949 2.384 -4.367 543 HB ILE 78 HB ILE 78 5.521 2.427 -3.774 544 HG12 ILE 78 2HG1 ILE 78 6.471 1.798 -0.960 545 HG13 ILE 78 1HG1 ILE 78 5.736 3.313 -1.464 546 HG21 ILE 78 1HG2 ILE 78 7.053 0.036 -2.771 547 HG22 ILE 78 2HG2 ILE 78 6.545 0.351 -4.429 548 HG23 ILE 78 3HG2 ILE 78 5.337 0.048 -3.180 549 HD11 ILE 78 3HD1 ILE 78 3.659 2.116 -1.992 550 HD12 ILE 78 1HD1 ILE 78 4.131 1.904 -0.305 551 HD13 ILE 78 2HD1 ILE 78 4.406 0.608 -1.469 552 H PHE 79 H PHE 79 7.431 4.238 -5.310 553 HA PHE 79 HA PHE 79 8.069 6.587 -3.722 554 HB2 PHE 79 2HB PHE 79 9.344 6.021 -5.804 555 HB3 PHE 79 1HB PHE 79 7.864 6.265 -6.719 556 HD1 PHE 79 1HD PHE 79 6.866 8.574 -6.816 557 HD2 PHE 79 2HD PHE 79 10.711 7.814 -5.168 558 HE1 PHE 79 1HE PHE 79 7.434 10.944 -7.063 559 HE2 PHE 79 2HE PHE 79 11.285 10.186 -5.411 560 HZ PHE 79 HZ PHE 79 9.645 11.758 -6.366 561 H LEU 80 H LEU 80 6.323 7.476 -2.865 562 HA LEU 80 HA LEU 80 3.824 7.704 -4.442 563 HB2 LEU 80 2HB LEU 80 4.372 8.260 -1.514 564 HB3 LEU 80 1HB LEU 80 2.817 8.367 -2.306 565 HG LEU 80 HG LEU 80 4.385 5.826 -1.838 566 HD11 LEU 80 1HD1 LEU 80 1.869 6.880 -0.556 567 HD12 LEU 80 2HD1 LEU 80 3.456 6.761 0.201 568 HD13 LEU 80 3HD1 LEU 80 2.589 5.296 -0.267 569 HD21 LEU 80 3HD2 LEU 80 1.630 6.244 -3.014 570 HD22 LEU 80 1HD2 LEU 80 2.365 4.685 -2.633 571 HD23 LEU 80 2HD2 LEU 80 3.062 5.701 -3.894 572 H ASP 81 H ASP 81 3.707 9.500 -5.527 573 HA ASP 81 HA ASP 81 5.448 11.703 -5.022 574 HB2 ASP 81 2HB ASP 81 4.752 11.214 -7.283 575 HB3 ASP 81 1HB ASP 81 3.061 11.419 -6.849 576 H ASP 82 H ASP 82 5.188 13.129 -3.518 577 HA ASP 82 HA ASP 82 2.516 13.678 -2.437 578 HB2 ASP 82 2HB ASP 82 3.991 12.764 -0.724 579 HB3 ASP 82 1HB ASP 82 5.264 13.895 -1.148 580 H VAL 83 H VAL 83 2.310 15.927 -1.589 581 HA VAL 83 HA VAL 83 2.792 17.808 -3.718 582 HB VAL 83 HB VAL 83 1.736 18.332 -0.910 583 HG11 VAL 83 1HG1 VAL 83 1.443 19.972 -3.426 584 HG12 VAL 83 2HG1 VAL 83 2.437 20.381 -2.027 585 HG13 VAL 83 3HG1 VAL 83 0.681 20.322 -1.874 586 HG21 VAL 83 3HG2 VAL 83 0.204 17.707 -3.436 587 HG22 VAL 83 1HG2 VAL 83 -0.515 18.182 -1.898 588 HG23 VAL 83 2HG2 VAL 83 0.364 16.659 -2.029 589 H THR 84 H THR 84 4.275 16.945 -0.710 590 HA THR 84 HA THR 84 6.179 19.168 -0.881 591 HB THR 84 HB THR 84 5.838 17.304 1.464 592 HG1 THR 84 1HG THR 84 3.817 17.889 1.305 593 HG21 THR 84 3HG2 THR 84 6.480 19.316 2.736 594 HG22 THR 84 1HG2 THR 84 6.474 20.260 1.247 595 HG23 THR 84 2HG2 THR 84 7.661 18.977 1.473 596 H VAL 85 H VAL 85 8.456 18.263 -0.122 597 HA VAL 85 HA VAL 85 8.759 15.589 -1.196 598 HB VAL 85 HB VAL 85 10.918 17.462 -0.139 599 HG11 VAL 85 1HG1 VAL 85 11.535 15.100 -0.136 600 HG12 VAL 85 2HG1 VAL 85 12.463 16.001 -1.336 601 HG13 VAL 85 3HG1 VAL 85 11.114 14.984 -1.844 602 HG21 VAL 85 3HG2 VAL 85 9.823 18.458 -2.081 603 HG22 VAL 85 1HG2 VAL 85 10.081 16.976 -2.998 604 HG23 VAL 85 2HG2 VAL 85 11.464 17.943 -2.480 605 H SER 86 H SER 86 7.901 14.315 0.317 606 HA SER 86 HA SER 86 8.792 14.630 3.073 607 HB2 SER 86 2HB SER 86 6.463 13.057 1.920 608 HB3 SER 86 1HB SER 86 6.835 13.227 3.637 609 HG SER 86 HG SER 86 5.597 15.017 1.905 610 H ARG 87 H ARG 87 10.559 13.503 3.408 611 HA ARG 87 HA ARG 87 11.583 11.524 1.753 612 HB2 ARG 87 2HB ARG 87 13.220 11.013 3.580 613 HB3 ARG 87 1HB ARG 87 13.123 12.702 3.118 614 HG2 ARG 87 2HG ARG 87 11.816 13.195 5.102 615 HG3 ARG 87 1HG ARG 87 11.787 11.488 5.536 616 HD2 ARG 87 2HD ARG 87 14.204 11.498 5.812 617 HD3 ARG 87 1HD ARG 87 14.273 13.184 5.303 618 HE ARG 87 HE ARG 87 12.688 13.454 7.379 619 HH11 ARG 87 1HH1 ARG 87 15.590 11.377 7.185 620 HH12 ARG 87 2HH1 ARG 87 15.889 11.469 8.860 621 HH21 ARG 87 1HH2 ARG 87 13.201 13.591 9.670 622 HH22 ARG 87 2HH2 ARG 87 14.540 12.720 10.260 623 H ARG 88 H ARG 88 9.744 11.001 4.765 624 HA ARG 88 HA ARG 88 9.103 8.342 3.808 625 HB2 ARG 88 2HB ARG 88 10.153 8.806 6.612 626 HB3 ARG 88 1HB ARG 88 9.499 7.312 5.997 627 HG2 ARG 88 2HG ARG 88 11.473 7.195 4.448 628 HG3 ARG 88 1HG ARG 88 12.133 8.598 5.303 629 HD2 ARG 88 2HD ARG 88 11.915 7.324 7.438 630 HD3 ARG 88 1HD ARG 88 11.428 5.921 6.501 631 HE ARG 88 HE ARG 88 14.011 7.197 6.019 632 HH11 ARG 88 1HH1 ARG 88 12.185 4.246 7.013 633 HH12 ARG 88 2HH1 ARG 88 13.571 3.331 7.226 634 HH21 ARG 88 1HH2 ARG 88 15.922 5.811 6.307 635 HH22 ARG 88 2HH2 ARG 88 15.704 4.192 6.776 636 H HIS 89 H HIS 89 6.937 8.125 4.117 637 HA HIS 89 HA HIS 89 5.715 9.837 6.171 638 HB2 HIS 89 2HB HIS 89 4.704 9.852 3.849 639 HB3 HIS 89 1HB HIS 89 4.332 8.147 4.046 640 HD2 HIS 89 2HD HIS 89 2.738 8.056 6.839 641 HE1 HIS 89 1HE HIS 89 0.441 11.205 5.290 642 HE2 HIS 89 2HE HIS 89 0.809 9.559 7.218 643 H ALA 90 H ALA 90 5.757 6.496 4.992 644 HA ALA 90 HA ALA 90 5.631 5.467 7.667 645 HB1 ALA 90 1HB ALA 90 3.589 4.146 7.256 646 HB2 ALA 90 2HB ALA 90 3.353 4.986 5.725 647 HB3 ALA 90 3HB ALA 90 3.247 5.874 7.243 648 H GLU 91 H GLU 91 5.837 3.093 7.546 649 HA GLU 91 HA GLU 91 6.535 2.137 4.938 650 HB2 GLU 91 2HB GLU 91 8.590 0.999 5.808 651 HB3 GLU 91 1HB GLU 91 8.690 2.744 5.696 652 HG2 GLU 91 2HG GLU 91 8.374 2.922 8.093 653 HG3 GLU 91 1HG GLU 91 8.268 1.162 8.205 654 H PHE 92 H PHE 92 6.467 -0.040 4.688 655 HA PHE 92 HA PHE 92 4.584 -1.288 6.539 656 HB2 PHE 92 2HB PHE 92 5.175 -1.960 3.642 657 HB3 PHE 92 1HB PHE 92 3.869 -2.607 4.632 658 HD1 PHE 92 1HD PHE 92 2.044 -1.055 5.369 659 HD2 PHE 92 2HD PHE 92 4.913 0.042 2.430 660 HE1 PHE 92 1HE PHE 92 0.560 0.752 4.594 661 HE2 PHE 92 2HE PHE 92 3.433 1.849 1.657 662 HZ PHE 92 HZ PHE 92 1.258 2.201 2.737 663 H ARG 93 H ARG 93 5.229 -3.095 7.492 664 HA ARG 93 HA ARG 93 7.782 -4.227 6.641 665 HB2 ARG 93 2HB ARG 93 6.789 -3.740 9.434 666 HB3 ARG 93 1HB ARG 93 8.139 -4.793 9.056 667 HG2 ARG 93 2HG ARG 93 9.337 -2.902 8.076 668 HG3 ARG 93 1HG ARG 93 7.985 -1.839 8.489 669 HD2 ARG 93 2HD ARG 93 9.901 -1.819 10.124 670 HD3 ARG 93 1HD ARG 93 8.325 -2.192 10.818 671 HE ARG 93 HE ARG 93 9.046 -4.262 11.347 672 HH11 ARG 93 1HH1 ARG 93 11.438 -2.879 9.117 673 HH12 ARG 93 2HH1 ARG 93 12.472 -4.213 9.204 674 HH21 ARG 93 1HH2 ARG 93 10.480 -6.051 11.470 675 HH22 ARG 93 2HH2 ARG 93 11.958 -6.047 10.595 676 H ILE 94 H ILE 94 7.773 -6.299 6.306 677 HA ILE 94 HA ILE 94 5.504 -7.862 7.313 678 HB ILE 94 HB ILE 94 7.206 -8.430 4.857 679 HG12 ILE 94 2HG1 ILE 94 4.393 -7.301 5.029 680 HG13 ILE 94 1HG1 ILE 94 5.819 -6.454 4.480 681 HG21 ILE 94 1HG2 ILE 94 5.510 -10.158 4.378 682 HG22 ILE 94 2HG2 ILE 94 4.682 -9.749 5.882 683 HG23 ILE 94 3HG2 ILE 94 6.305 -10.436 5.930 684 HD11 ILE 94 3HD1 ILE 94 6.006 -7.923 2.560 685 HD12 ILE 94 1HD1 ILE 94 4.424 -7.149 2.615 686 HD13 ILE 94 2HD1 ILE 94 4.599 -8.836 3.105 687 H ASN 95 H ASN 95 6.232 -8.999 8.944 688 HA ASN 95 HA ASN 95 8.885 -10.182 8.744 689 HB2 ASN 95 2HB ASN 95 9.112 -8.009 9.940 690 HB3 ASN 95 1HB ASN 95 7.980 -8.594 11.153 691 HD21 ASN 95 1HD2 ASN 95 11.184 -8.905 9.826 692 HD22 ASN 95 2HD2 ASN 95 11.860 -9.770 11.151 693 H GLU 96 H GLU 96 8.782 -12.225 9.234 694 HA GLU 96 HA GLU 96 8.125 -14.254 9.994 695 HB2 GLU 96 2HB GLU 96 7.167 -12.675 12.386 696 HB3 GLU 96 1HB GLU 96 7.414 -14.413 12.350 697 HG2 GLU 96 2HG GLU 96 9.505 -12.272 12.090 698 HG3 GLU 96 1HG GLU 96 9.261 -13.370 13.447 699 H GLY 97 H GLY 97 6.279 -12.971 8.293 700 HA2 GLY 97 2HA GLY 97 4.287 -13.760 7.385 701 HA3 GLY 97 1HA GLY 97 3.996 -14.638 8.878 702 H GLU 98 H GLU 98 4.663 -11.577 9.845 703 HA GLU 98 HA GLU 98 1.841 -10.855 9.813 704 HB2 GLU 98 2HB GLU 98 4.065 -9.913 11.617 705 HB3 GLU 98 1HB GLU 98 2.363 -9.481 11.761 706 HG2 GLU 98 2HG GLU 98 1.841 -11.868 12.067 707 HG3 GLU 98 1HG GLU 98 3.557 -12.206 12.048 708 H PHE 99 H PHE 99 1.194 -8.970 9.014 709 HA PHE 99 HA PHE 99 3.165 -7.377 7.521 710 HB2 PHE 99 2HB PHE 99 0.156 -7.487 7.136 711 HB3 PHE 99 1HB PHE 99 1.341 -6.811 6.036 712 HD1 PHE 99 1HD PHE 99 2.783 -8.351 4.695 713 HD2 PHE 99 2HD PHE 99 -0.403 -9.796 7.107 714 HE1 PHE 99 1HE PHE 99 2.823 -10.485 3.471 715 HE2 PHE 99 2HE PHE 99 -0.366 -11.928 5.894 716 HZ PHE 99 HZ PHE 99 1.250 -12.278 4.071 717 H GLU 100 H GLU 100 3.558 -5.376 8.475 718 HA GLU 100 HA GLU 100 1.356 -4.162 9.985 719 HB2 GLU 100 2HB GLU 100 2.907 -3.399 11.711 720 HB3 GLU 100 1HB GLU 100 2.891 -5.153 11.604 721 HG2 GLU 100 2HG GLU 100 4.985 -5.098 10.342 722 HG3 GLU 100 1HG GLU 100 4.983 -3.339 10.429 723 H VAL 101 H VAL 101 1.190 -1.970 9.956 724 HA VAL 101 HA VAL 101 2.851 -0.503 8.019 725 HB VAL 101 HB VAL 101 0.341 0.442 9.403 726 HG11 VAL 101 1HG1 VAL 101 1.686 1.393 6.888 727 HG12 VAL 101 2HG1 VAL 101 1.672 2.202 8.452 728 HG13 VAL 101 3HG1 VAL 101 0.173 2.022 7.537 729 HG21 VAL 101 3HG2 VAL 101 0.487 -0.936 6.731 730 HG22 VAL 101 1HG2 VAL 101 -0.941 -0.145 7.406 731 HG23 VAL 101 2HG2 VAL 101 -0.244 -1.557 8.208 732 H VAL 102 H VAL 102 4.361 0.781 8.936 733 HA VAL 102 HA VAL 102 3.879 1.668 11.689 734 HB VAL 102 HB VAL 102 6.554 1.227 10.321 735 HG11 VAL 102 1HG1 VAL 102 7.522 1.508 12.554 736 HG12 VAL 102 2HG1 VAL 102 5.922 1.879 13.192 737 HG13 VAL 102 3HG1 VAL 102 6.669 2.952 12.008 738 HG21 VAL 102 3HG2 VAL 102 5.217 -0.470 12.420 739 HG22 VAL 102 1HG2 VAL 102 6.838 -0.702 11.767 740 HG23 VAL 102 2HG2 VAL 102 5.430 -0.896 10.722 741 H ASP 103 H ASP 103 3.569 3.779 11.740 742 HA ASP 103 HA ASP 103 4.115 5.538 9.540 743 HB2 ASP 103 2HB ASP 103 2.120 5.681 11.002 744 HB3 ASP 103 1HB ASP 103 3.158 6.077 12.355 745 H VAL 104 H VAL 104 5.758 6.946 9.394 746 HA VAL 104 HA VAL 104 7.592 7.261 11.650 747 HB VAL 104 HB VAL 104 9.568 7.102 10.095 748 HG11 VAL 104 1HG1 VAL 104 7.885 4.606 10.213 749 HG12 VAL 104 2HG1 VAL 104 8.991 5.176 11.463 750 HG13 VAL 104 3HG1 VAL 104 9.620 4.661 9.899 751 HG21 VAL 104 3HG2 VAL 104 9.299 6.034 7.912 752 HG22 VAL 104 1HG2 VAL 104 8.411 7.554 7.991 753 HG23 VAL 104 2HG2 VAL 104 7.551 6.020 8.131 754 H GLY 105 H GLY 105 5.487 8.752 9.881 755 HA2 GLY 105 2HA GLY 105 6.808 11.310 9.905 756 HA3 GLY 105 1HA GLY 105 6.330 10.712 8.315 757 H SER 106 H SER 106 5.016 10.741 11.555 758 HA SER 106 HA SER 106 2.321 10.478 10.867 759 HB2 SER 106 2HB SER 106 2.124 10.997 13.358 760 HB3 SER 106 1HB SER 106 3.066 9.586 12.873 761 HG SER 106 HG SER 106 4.459 10.520 14.147 762 H LEU 107 H LEU 107 3.631 12.915 9.815 763 HA LEU 107 HA LEU 107 2.057 14.978 11.159 764 HB2 LEU 107 2HB LEU 107 4.455 15.288 9.380 765 HB3 LEU 107 1HB LEU 107 3.604 16.588 10.185 766 HG LEU 107 HG LEU 107 5.081 14.368 11.584 767 HD11 LEU 107 1HD1 LEU 107 5.815 17.246 11.163 768 HD12 LEU 107 2HD1 LEU 107 6.595 15.847 10.425 769 HD13 LEU 107 3HD1 LEU 107 6.697 16.098 12.171 770 HD21 LEU 107 3HD2 LEU 107 4.757 15.729 13.599 771 HD22 LEU 107 1HD2 LEU 107 3.220 15.208 12.918 772 HD23 LEU 107 2HD2 LEU 107 3.774 16.865 12.683 773 H ASN 108 H ASN 108 2.501 13.304 8.102 774 HA ASN 108 HA ASN 108 1.053 15.384 6.712 775 HB2 ASN 108 2HB ASN 108 2.102 12.740 5.667 776 HB3 ASN 108 1HB ASN 108 1.185 13.862 4.685 777 HD21 ASN 108 1HD2 ASN 108 2.819 14.186 3.195 778 HD22 ASN 108 2HD2 ASN 108 4.293 14.975 3.557 779 H GLY 109 H GLY 109 0.259 12.440 8.294 780 HA2 GLY 109 2HA GLY 109 -2.149 12.409 8.934 781 HA3 GLY 109 1HA GLY 109 -2.490 12.788 7.256 782 H THR 110 H THR 110 -0.950 10.307 9.294 783 HA THR 110 HA THR 110 -1.413 8.280 7.319 784 HB THR 110 HB THR 110 -0.619 7.856 10.169 785 HG1 THR 110 1HG THR 110 1.368 8.664 9.746 786 HG21 THR 110 3HG2 THR 110 0.862 6.187 9.119 787 HG22 THR 110 1HG2 THR 110 0.329 6.712 7.522 788 HG23 THR 110 2HG2 THR 110 -0.809 5.929 8.619 789 H TYR 111 H TYR 111 -3.294 7.094 7.259 790 HA TYR 111 HA TYR 111 -4.824 6.721 9.719 791 HB2 TYR 111 2HB TYR 111 -5.965 7.332 6.979 792 HB3 TYR 111 1HB TYR 111 -6.918 6.938 8.402 793 HD1 TYR 111 2HD TYR 111 -6.840 8.558 10.356 794 HD2 TYR 111 1HD TYR 111 -5.325 9.567 6.519 795 HE1 TYR 111 2HE TYR 111 -6.930 10.934 10.956 796 HE2 TYR 111 1HE TYR 111 -5.408 11.956 7.110 797 HH TYR 111 HH TYR 111 -5.884 13.011 10.322 798 H VAL 112 H VAL 112 -5.517 4.650 9.972 799 HA VAL 112 HA VAL 112 -5.232 2.772 7.729 800 HB VAL 112 HB VAL 112 -4.327 2.204 10.587 801 HG11 VAL 112 1HG1 VAL 112 -4.172 0.475 8.125 802 HG12 VAL 112 2HG1 VAL 112 -5.231 0.236 9.512 803 HG13 VAL 112 3HG1 VAL 112 -3.484 0.082 9.700 804 HG21 VAL 112 3HG2 VAL 112 -2.043 2.050 9.716 805 HG22 VAL 112 1HG2 VAL 112 -2.711 3.661 9.454 806 HG23 VAL 112 2HG2 VAL 112 -2.614 2.515 8.115 807 H ASN 113 H ASN 113 -6.998 1.405 7.563 808 HA ASN 113 HA ASN 113 -9.078 0.636 7.856 809 HB2 ASN 113 2HB ASN 113 -7.712 -0.363 9.905 810 HB3 ASN 113 1HB ASN 113 -8.722 0.725 10.850 811 HD21 ASN 113 1HD2 ASN 113 -8.560 -2.121 9.002 812 HD22 ASN 113 2HD2 ASN 113 -10.157 -2.741 9.262 813 H ARG 114 H ARG 114 -8.757 3.344 7.596 814 HA ARG 114 HA ARG 114 -9.768 5.339 7.665 815 HB2 ARG 114 2HB ARG 114 -12.016 3.634 8.634 816 HB3 ARG 114 1HB ARG 114 -12.196 5.378 8.510 817 HG2 ARG 114 2HG ARG 114 -11.368 3.585 6.255 818 HG3 ARG 114 1HG ARG 114 -13.019 4.117 6.548 819 HD2 ARG 114 2HD ARG 114 -12.210 6.487 6.378 820 HD3 ARG 114 1HD ARG 114 -10.626 5.864 5.916 821 HE ARG 114 HE ARG 114 -12.136 4.644 4.172 822 HH11 ARG 114 1HH1 ARG 114 -11.825 8.079 4.969 823 HH12 ARG 114 2HH1 ARG 114 -12.678 8.629 3.587 824 HH21 ARG 114 1HH2 ARG 114 -13.304 5.420 2.285 825 HH22 ARG 114 2HH2 ARG 114 -13.526 7.093 2.037 826 H GLU 115 H GLU 115 -8.395 4.306 10.280 827 HA GLU 115 HA GLU 115 -9.419 6.575 11.839 828 HB2 GLU 115 2HB GLU 115 -8.181 4.058 12.958 829 HB3 GLU 115 1HB GLU 115 -8.878 5.386 13.868 830 HG2 GLU 115 2HG GLU 115 -11.065 4.843 12.768 831 HG3 GLU 115 1HG GLU 115 -10.299 3.382 12.154 832 HA PRO 116 HA PRO 116 -5.203 8.111 11.649 833 HB2 PRO 116 2HB PRO 116 -5.050 9.179 14.221 834 HB3 PRO 116 1HB PRO 116 -5.708 10.040 12.828 835 HG2 PRO 116 2HG PRO 116 -7.133 8.585 15.008 836 HG3 PRO 116 1HG PRO 116 -7.595 10.076 14.169 837 HD2 PRO 116 2HD PRO 116 -8.761 7.714 13.635 838 HD3 PRO 116 1HD PRO 116 -8.482 8.924 12.368 839 H ARG 117 H ARG 117 -3.429 6.850 11.923 840 HA ARG 117 HA ARG 117 -3.203 5.261 14.341 841 HB2 ARG 117 2HB ARG 117 -4.760 4.119 12.730 842 HB3 ARG 117 1HB ARG 117 -3.409 4.004 11.622 843 HG2 ARG 117 2HG ARG 117 -3.791 1.927 12.768 844 HG3 ARG 117 1HG ARG 117 -2.219 2.599 13.219 845 HD2 ARG 117 2HD ARG 117 -3.600 1.620 15.108 846 HD3 ARG 117 1HD ARG 117 -3.008 3.254 15.341 847 HE ARG 117 HE ARG 117 -5.115 4.051 15.351 848 HH11 ARG 117 1HH1 ARG 117 -5.376 0.683 14.160 849 HH12 ARG 117 2HH1 ARG 117 -7.056 0.675 14.214 850 HH21 ARG 117 1HH2 ARG 117 -7.422 3.938 15.513 851 HH22 ARG 117 2HH2 ARG 117 -8.279 2.563 15.001 852 H ASN 118 H ASN 118 -1.122 4.887 14.770 853 HA ASN 118 HA ASN 118 0.797 5.797 12.789 854 HB2 ASN 118 2HB ASN 118 1.077 5.372 15.774 855 HB3 ASN 118 1HB ASN 118 2.422 5.821 14.726 856 HD21 ASN 118 1HD2 ASN 118 1.019 7.665 12.996 857 HD22 ASN 118 2HD2 ASN 118 0.570 9.008 13.930 858 H ALA 119 H ALA 119 0.574 3.018 15.088 859 HA ALA 119 HA ALA 119 1.867 1.516 12.924 860 HB1 ALA 119 1HB ALA 119 2.834 0.056 14.660 861 HB2 ALA 119 2HB ALA 119 2.107 1.066 15.908 862 HB3 ALA 119 3HB ALA 119 3.369 1.725 14.866 863 H GLN 120 H GLN 120 0.796 -0.222 12.282 864 HA GLN 120 HA GLN 120 -1.288 -1.403 13.934 865 HB2 GLN 120 2HB GLN 120 -2.397 0.510 12.931 866 HB3 GLN 120 1HB GLN 120 -1.974 -0.057 11.330 867 HG2 GLN 120 2HG GLN 120 -4.334 -0.471 11.912 868 HG3 GLN 120 1HG GLN 120 -3.451 -1.955 11.574 869 HE21 GLN 120 1HE2 GLN 120 -3.368 -3.489 13.100 870 HE22 GLN 120 2HE2 GLN 120 -4.064 -3.369 14.673 871 H VAL 121 H VAL 121 -1.303 -3.535 13.567 872 HA VAL 121 HA VAL 121 -0.031 -4.751 11.355 873 HB VAL 121 HB VAL 121 -2.219 -5.844 13.179 874 HG11 VAL 121 1HG1 VAL 121 -1.518 -8.068 12.437 875 HG12 VAL 121 2HG1 VAL 121 -0.380 -7.330 11.309 876 HG13 VAL 121 3HG1 VAL 121 -2.115 -7.106 11.083 877 HG21 VAL 121 3HG2 VAL 121 -0.375 -7.004 14.320 878 HG22 VAL 121 1HG2 VAL 121 -0.189 -5.253 14.386 879 HG23 VAL 121 2HG2 VAL 121 0.775 -6.199 13.256 880 H MET 122 H MET 122 -0.805 -5.185 9.343 881 HA MET 122 HA MET 122 -3.373 -3.937 8.693 882 HB2 MET 122 2HB MET 122 -2.487 -3.772 6.373 883 HB3 MET 122 1HB MET 122 -1.486 -2.931 7.541 884 HG2 MET 122 2HG MET 122 -0.132 -5.165 7.548 885 HG3 MET 122 1HG MET 122 -0.936 -5.433 6.009 886 HE1 MET 122 3HE MET 122 -1.101 -2.384 4.947 887 HE2 MET 122 1HE MET 122 -0.626 -3.714 3.896 888 HE3 MET 122 2HE MET 122 0.375 -2.261 3.989 889 H GLN 123 H GLN 123 -5.054 -5.094 7.914 890 HA GLN 123 HA GLN 123 -4.644 -7.934 7.575 891 HB2 GLN 123 2HB GLN 123 -6.156 -6.424 9.297 892 HB3 GLN 123 1HB GLN 123 -7.298 -6.900 8.052 893 HG2 GLN 123 2HG GLN 123 -7.314 -8.401 9.844 894 HG3 GLN 123 1HG GLN 123 -6.695 -9.184 8.366 895 HE21 GLN 123 1HE2 GLN 123 -5.647 -10.808 9.630 896 HE22 GLN 123 2HE2 GLN 123 -4.195 -10.452 10.493 897 H THR 124 H THR 124 -5.981 -8.929 5.905 898 HA THR 124 HA THR 124 -6.171 -7.573 3.471 899 HB THR 124 HB THR 124 -7.623 -10.070 4.391 900 HG1 THR 124 1HG THR 124 -5.005 -9.537 3.534 901 HG21 THR 124 3HG2 THR 124 -6.822 -9.209 1.600 902 HG22 THR 124 1HG2 THR 124 -8.469 -9.134 2.238 903 HG23 THR 124 2HG2 THR 124 -7.661 -10.689 2.045 904 H GLY 125 H GLY 125 -7.630 -6.125 2.786 905 HA2 GLY 125 2HA GLY 125 -9.851 -5.431 2.337 906 HA3 GLY 125 1HA GLY 125 -10.373 -6.227 3.817 907 H ASP 126 H ASP 126 -7.588 -4.778 4.651 908 HA ASP 126 HA ASP 126 -8.910 -2.621 6.025 909 HB2 ASP 126 2HB ASP 126 -6.977 -3.999 6.955 910 HB3 ASP 126 1HB ASP 126 -5.938 -3.169 5.812 911 H GLU 127 H GLU 127 -8.500 -0.433 5.667 912 HA GLU 127 HA GLU 127 -7.259 0.143 3.113 913 HB2 GLU 127 2HB GLU 127 -8.951 1.923 2.748 914 HB3 GLU 127 1HB GLU 127 -9.574 0.277 2.816 915 HG2 GLU 127 2HG GLU 127 -10.362 0.638 5.081 916 HG3 GLU 127 1HG GLU 127 -9.778 2.304 5.014 917 H ILE 128 H ILE 128 -5.807 1.568 3.107 918 HA ILE 128 HA ILE 128 -5.200 3.003 5.596 919 HB ILE 128 HB ILE 128 -3.337 2.093 3.380 920 HG12 ILE 128 2HG1 ILE 128 -3.682 0.964 6.157 921 HG13 ILE 128 1HG1 ILE 128 -4.337 0.232 4.697 922 HG21 ILE 128 1HG2 ILE 128 -2.734 3.266 6.103 923 HG22 ILE 128 2HG2 ILE 128 -2.567 4.098 4.567 924 HG23 ILE 128 3HG2 ILE 128 -1.535 2.710 4.931 925 HD11 ILE 128 3HD1 ILE 128 -2.075 -0.083 3.854 926 HD12 ILE 128 1HD1 ILE 128 -2.307 -0.849 5.426 927 HD13 ILE 128 2HD1 ILE 128 -1.439 0.684 5.311 928 H GLN 129 H GLN 129 -5.071 5.140 5.436 929 HA GLN 129 HA GLN 129 -5.147 6.248 2.750 930 HB2 GLN 129 2HB GLN 129 -7.349 6.332 3.978 931 HB3 GLN 129 1HB GLN 129 -6.592 7.381 5.159 932 HG2 GLN 129 2HG GLN 129 -6.339 9.117 3.602 933 HG3 GLN 129 1HG GLN 129 -6.694 8.049 2.244 934 HE21 GLN 129 1HE2 GLN 129 -8.379 9.229 1.486 935 HE22 GLN 129 2HE2 GLN 129 -9.880 9.397 2.297 936 H ILE 130 H ILE 130 -3.410 7.262 2.376 937 HA ILE 130 HA ILE 130 -1.787 8.307 4.596 938 HB ILE 130 HB ILE 130 -0.967 7.141 1.918 939 HG12 ILE 130 2HG1 ILE 130 -0.334 6.303 4.759 940 HG13 ILE 130 1HG1 ILE 130 -1.445 5.513 3.648 941 HG21 ILE 130 1HG2 ILE 130 0.435 9.075 2.291 942 HG22 ILE 130 2HG2 ILE 130 1.370 7.594 2.487 943 HG23 ILE 130 3HG2 ILE 130 0.842 8.500 3.907 944 HD11 ILE 130 3HD1 ILE 130 0.661 4.304 3.826 945 HD12 ILE 130 1HD1 ILE 130 1.537 5.738 3.288 946 HD13 ILE 130 2HD1 ILE 130 0.419 4.921 2.191 947 H GLY 131 H GLY 131 -2.258 10.410 4.711 948 HA2 GLY 131 2HA GLY 131 -2.254 12.619 4.118 949 HA3 GLY 131 1HA GLY 131 -1.523 12.164 2.580 950 H LYS 132 H LYS 132 -2.796 11.646 0.864 951 HA LYS 132 HA LYS 132 -5.692 11.790 1.197 952 HB2 LYS 132 2HB LYS 132 -4.202 13.198 -1.050 953 HB3 LYS 132 1HB LYS 132 -5.947 13.094 -0.864 954 HG2 LYS 132 2HG LYS 132 -5.748 14.352 1.262 955 HG3 LYS 132 1HG LYS 132 -4.035 14.556 0.938 956 HD2 LYS 132 2HD LYS 132 -4.977 16.567 0.188 957 HD3 LYS 132 1HD LYS 132 -4.772 15.633 -1.285 958 HE2 LYS 132 2HE LYS 132 -7.376 15.887 0.252 959 HE3 LYS 132 1HE LYS 132 -6.943 16.862 -1.141 960 HZ1 LYS 132 3HZ LYS 132 -8.383 15.114 -1.813 961 HZ2 LYS 132 1HZ LYS 132 -7.436 13.917 -1.126 962 HZ3 LYS 132 2HZ LYS 132 -6.882 14.772 -2.454 963 H PHE 133 H PHE 133 -3.244 9.900 0.488 964 HA PHE 133 HA PHE 133 -4.121 8.638 -1.981 965 HB2 PHE 133 2HB PHE 133 -2.020 7.924 0.071 966 HB3 PHE 133 1HB PHE 133 -2.406 6.907 -1.297 967 HD1 PHE 133 1HD PHE 133 -1.059 10.216 -0.322 968 HD2 PHE 133 2HD PHE 133 -1.399 7.254 -3.353 969 HE1 PHE 133 1HE PHE 133 0.689 11.350 -1.623 970 HE2 PHE 133 2HE PHE 133 0.338 8.385 -4.662 971 HZ PHE 133 HZ PHE 133 1.386 10.432 -3.795 972 H ARG 134 H ARG 134 -5.078 6.615 -2.024 973 HA ARG 134 HA ARG 134 -5.817 5.515 0.592 974 HB2 ARG 134 2HB ARG 134 -7.802 6.522 -0.533 975 HB3 ARG 134 1HB ARG 134 -7.558 5.414 -1.877 976 HG2 ARG 134 2HG ARG 134 -7.838 3.511 -0.313 977 HG3 ARG 134 1HG ARG 134 -8.199 4.664 0.972 978 HD2 ARG 134 2HD ARG 134 -9.759 4.246 -1.570 979 HD3 ARG 134 1HD ARG 134 -10.247 3.769 0.054 980 HE ARG 134 HE ARG 134 -9.727 6.507 0.039 981 HH11 ARG 134 1HH1 ARG 134 -12.117 4.204 -1.227 982 HH12 ARG 134 2HH1 ARG 134 -13.373 5.335 -1.333 983 HH21 ARG 134 1HH2 ARG 134 -11.462 8.094 -0.108 984 HH22 ARG 134 2HH2 ARG 134 -12.975 7.627 -0.696 985 H LEU 135 H LEU 135 -4.983 3.637 0.875 986 HA LEU 135 HA LEU 135 -4.278 1.971 -1.429 987 HB2 LEU 135 2HB LEU 135 -3.110 1.968 1.362 988 HB3 LEU 135 1HB LEU 135 -2.642 0.906 0.065 989 HG LEU 135 HG LEU 135 -0.931 2.420 0.303 990 HD11 LEU 135 1HD1 LEU 135 -1.418 2.018 -1.966 991 HD12 LEU 135 2HD1 LEU 135 -0.834 3.672 -1.773 992 HD13 LEU 135 3HD1 LEU 135 -2.555 3.367 -2.009 993 HD21 LEU 135 3HD2 LEU 135 -2.912 4.699 0.273 994 HD22 LEU 135 1HD2 LEU 135 -1.156 4.878 0.295 995 HD23 LEU 135 2HD2 LEU 135 -1.984 4.131 1.661 996 H VAL 136 H VAL 136 -5.112 -0.017 -1.374 997 HA VAL 136 HA VAL 136 -6.587 -0.812 1.053 998 HB VAL 136 HB VAL 136 -7.248 -1.656 -1.802 999 HG11 VAL 136 1HG1 VAL 136 -9.234 -2.700 -0.815 1000 HG12 VAL 136 2HG1 VAL 136 -8.687 -2.228 0.793 1001 HG13 VAL 136 3HG1 VAL 136 -7.754 -3.389 -0.146 1002 HG21 VAL 136 3HG2 VAL 136 -9.304 -0.349 -1.531 1003 HG22 VAL 136 1HG2 VAL 136 -7.874 0.675 -1.399 1004 HG23 VAL 136 2HG2 VAL 136 -8.755 0.193 0.055 1005 H PHE 137 H PHE 137 -5.906 -2.609 1.985 1006 HA PHE 137 HA PHE 137 -3.670 -3.964 0.708 1007 HB2 PHE 137 2HB PHE 137 -3.319 -3.048 2.940 1008 HB3 PHE 137 1HB PHE 137 -4.662 -3.997 3.557 1009 HD1 PHE 137 1HD PHE 137 -1.417 -4.439 1.790 1010 HD2 PHE 137 2HD PHE 137 -4.210 -5.995 4.584 1011 HE1 PHE 137 1HE PHE 137 0.147 -6.237 2.356 1012 HE2 PHE 137 2HE PHE 137 -2.653 -7.798 5.153 1013 HZ PHE 137 HZ PHE 137 -0.470 -7.918 4.047 1014 H LEU 138 H LEU 138 -3.824 -5.948 -0.078 1015 HA LEU 138 HA LEU 138 -6.030 -7.631 0.789 1016 HB2 LEU 138 2HB LEU 138 -5.018 -7.331 -2.047 1017 HB3 LEU 138 1HB LEU 138 -6.067 -8.618 -1.525 1018 HG LEU 138 HG LEU 138 -7.429 -7.131 -2.676 1019 HD11 LEU 138 1HD1 LEU 138 -9.008 -6.227 -1.079 1020 HD12 LEU 138 2HD1 LEU 138 -7.841 -6.484 0.215 1021 HD13 LEU 138 3HD1 LEU 138 -8.488 -7.864 -0.671 1022 HD21 LEU 138 3HD2 LEU 138 -7.544 -4.700 -2.273 1023 HD22 LEU 138 1HD2 LEU 138 -5.961 -5.225 -2.847 1024 HD23 LEU 138 2HD2 LEU 138 -6.197 -4.850 -1.141 1025 H ALA 139 H ALA 139 -5.541 -9.962 0.466 1026 HA ALA 139 HA ALA 139 -2.840 -10.526 1.208 1027 HB1 ALA 139 1HB ALA 139 -4.724 -11.821 2.117 1028 HB2 ALA 139 2HB ALA 139 -3.589 -12.866 1.266 1029 HB3 ALA 139 3HB ALA 139 -5.105 -12.397 0.494 1030 H GLY 140 H GLY 140 -1.354 -11.846 -0.009 1031 HA2 GLY 140 2HA GLY 140 -1.224 -11.079 -2.717 1032 HA3 GLY 140 1HA GLY 140 -0.130 -12.187 -1.899 1033 HA PRO 141 HA PRO 141 -3.320 -14.362 -4.734 1034 HB2 PRO 141 2HB PRO 141 -1.357 -14.496 -6.874 1035 HB3 PRO 141 1HB PRO 141 -2.999 -13.856 -6.922 1036 HG2 PRO 141 2HG PRO 141 -0.803 -12.269 -7.118 1037 HG3 PRO 141 1HG PRO 141 -2.337 -11.725 -6.419 1038 HD2 PRO 141 2HD PRO 141 0.160 -12.608 -5.038 1039 HD3 PRO 141 1HD PRO 141 -0.949 -11.279 -4.640 1040 H ALA 142 H ALA 142 -3.306 -16.545 -4.871 1041 HA ALA 142 HA ALA 142 -0.809 -17.888 -4.162 1042 HB1 ALA 142 1HB ALA 142 -2.622 -18.241 -2.520 1043 HB2 ALA 142 2HB ALA 142 -2.209 -19.744 -3.340 1044 HB3 ALA 142 3HB ALA 142 -3.660 -18.860 -3.803 1045 H GLU 143 H GLU 143 -0.482 -17.374 -6.381 1046 HA GLU 143 HA GLU 143 -1.613 -19.372 -8.207 1047 HB2 GLU 143 2HB GLU 143 -2.304 -17.047 -8.685 1048 HB3 GLU 143 1HB GLU 143 -0.618 -16.585 -8.820 1049 HG2 GLU 143 2HG GLU 143 -0.371 -18.057 -10.749 1050 HG3 GLU 143 1HG GLU 143 -2.068 -18.521 -10.610 Start of MODEL 13 1 H1 MET 1 1HT MET 1 8.292 -14.478 0.695 2 H2 MET 1 2HT MET 1 9.611 -13.660 0.064 3 H3 MET 1 3HT MET 1 8.579 -12.873 1.126 4 HA MET 1 HA MET 1 9.212 -14.248 2.917 5 HB2 MET 1 2HB MET 1 10.970 -15.579 0.857 6 HB3 MET 1 1HB MET 1 11.278 -15.705 2.583 7 HG2 MET 1 2HG MET 1 8.754 -16.590 1.202 8 HG3 MET 1 1HG MET 1 10.073 -17.647 1.713 9 HE1 MET 1 2HE MET 1 7.213 -18.490 4.251 10 HE2 MET 1 3HE MET 1 8.336 -19.142 3.060 11 HE3 MET 1 1HE MET 1 7.022 -18.084 2.546 12 H SER 2 H SER 2 11.672 -14.251 3.870 13 HA SER 2 HA SER 2 12.086 -11.490 3.988 14 HB2 SER 2 2HB SER 2 13.845 -12.240 5.685 15 HB3 SER 2 1HB SER 2 12.149 -12.605 6.019 16 HG SER 2 HG SER 2 14.262 -14.262 5.409 17 H ASP 3 H ASP 3 12.845 -11.049 1.807 18 HA ASP 3 HA ASP 3 15.709 -11.571 1.452 19 HB2 ASP 3 2HB ASP 3 14.245 -11.659 -0.583 20 HB3 ASP 3 1HB ASP 3 13.819 -9.969 -0.318 21 H ASN 4 H ASN 4 16.915 -10.375 2.640 22 HA ASN 4 HA ASN 4 15.973 -8.137 4.052 23 HB2 ASN 4 2HB ASN 4 18.791 -9.173 3.779 24 HB3 ASN 4 1HB ASN 4 18.319 -7.872 4.866 25 HD21 ASN 4 1HD2 ASN 4 18.201 -11.271 4.254 26 HD22 ASN 4 2HD2 ASN 4 17.568 -11.742 5.776 27 H ASN 5 H ASN 5 15.361 -6.450 2.970 28 HA ASN 5 HA ASN 5 16.869 -5.196 0.914 29 HB2 ASN 5 2HB ASN 5 14.549 -4.163 2.568 30 HB3 ASN 5 1HB ASN 5 15.256 -3.299 1.214 31 HD21 ASN 5 1HD2 ASN 5 14.850 -4.023 -0.882 32 HD22 ASN 5 2HD2 ASN 5 13.640 -5.186 -1.221 33 H GLY 6 H GLY 6 17.796 -3.088 1.048 34 HA2 GLY 6 2HA GLY 6 19.169 -2.675 3.583 35 HA3 GLY 6 1HA GLY 6 19.578 -1.934 2.037 36 H THR 7 H THR 7 19.428 -0.326 4.263 37 HA THR 7 HA THR 7 16.844 0.968 3.988 38 HB THR 7 HB THR 7 17.853 2.247 6.068 39 HG1 THR 7 1HG THR 7 18.978 0.045 7.010 40 HG21 THR 7 3HG2 THR 7 15.825 0.857 6.117 41 HG22 THR 7 1HG2 THR 7 16.818 0.566 7.543 42 HG23 THR 7 2HG2 THR 7 16.817 -0.596 6.216 43 HA PRO 8 HA PRO 8 19.273 3.847 1.500 44 HB2 PRO 8 2HB PRO 8 17.174 5.217 0.516 45 HB3 PRO 8 1HB PRO 8 17.623 3.620 -0.093 46 HG2 PRO 8 2HG PRO 8 15.495 4.356 1.877 47 HG3 PRO 8 1HG PRO 8 15.399 3.243 0.501 48 HD2 PRO 8 2HD PRO 8 15.750 2.384 3.027 49 HD3 PRO 8 1HD PRO 8 16.472 1.545 1.641 50 H GLU 9 H GLU 9 19.873 5.973 1.712 51 HA GLU 9 HA GLU 9 19.173 7.301 4.160 52 HB2 GLU 9 2HB GLU 9 21.004 8.085 1.873 53 HB3 GLU 9 1HB GLU 9 20.732 9.105 3.267 54 HG2 GLU 9 2HG GLU 9 22.849 7.911 3.430 55 HG3 GLU 9 1HG GLU 9 21.751 7.429 4.713 56 HA PRO 10 HA PRO 10 15.821 9.341 2.067 57 HB2 PRO 10 2HB PRO 10 14.918 10.779 4.164 58 HB3 PRO 10 1HB PRO 10 14.632 9.042 4.023 59 HG2 PRO 10 2HG PRO 10 16.652 10.511 5.660 60 HG3 PRO 10 1HG PRO 10 15.693 9.082 6.083 61 HD2 PRO 10 2HD PRO 10 18.308 8.979 5.288 62 HD3 PRO 10 1HD PRO 10 17.156 7.647 5.061 63 H GLN 11 H GLN 11 15.223 11.466 1.439 64 HA GLN 11 HA GLN 11 17.406 13.379 1.517 65 HB2 GLN 11 2HB GLN 11 14.724 13.481 0.103 66 HB3 GLN 11 1HB GLN 11 16.070 14.575 -0.159 67 HG2 GLN 11 2HG GLN 11 17.397 12.698 -1.037 68 HG3 GLN 11 1HG GLN 11 16.004 11.640 -0.811 69 HE21 GLN 11 1HE2 GLN 11 17.430 12.317 -3.231 70 HE22 GLN 11 2HE2 GLN 11 16.276 13.027 -4.304 71 H VAL 12 H VAL 12 16.698 15.675 2.055 72 HA VAL 12 HA VAL 12 14.808 15.453 4.287 73 HB VAL 12 HB VAL 12 17.081 17.437 3.942 74 HG11 VAL 12 1HG1 VAL 12 15.179 17.087 6.263 75 HG12 VAL 12 2HG1 VAL 12 15.196 18.443 5.136 76 HG13 VAL 12 3HG1 VAL 12 16.564 18.178 6.214 77 HG21 VAL 12 3HG2 VAL 12 16.765 15.140 5.870 78 HG22 VAL 12 1HG2 VAL 12 18.108 16.281 5.843 79 HG23 VAL 12 2HG2 VAL 12 17.854 15.182 4.486 80 H GLU 13 H GLU 13 12.968 16.401 4.061 81 HA GLU 13 HA GLU 13 12.799 18.891 2.621 82 HB2 GLU 13 2HB GLU 13 12.207 17.121 0.978 83 HB3 GLU 13 1HB GLU 13 10.957 16.544 2.073 84 HG2 GLU 13 2HG GLU 13 10.078 17.946 0.251 85 HG3 GLU 13 1HG GLU 13 9.740 18.613 1.850 86 H THR 14 H THR 14 11.283 20.205 3.440 87 HA THR 14 HA THR 14 10.611 19.726 6.167 88 HB THR 14 HB THR 14 9.830 22.075 4.433 89 HG1 THR 14 1HG THR 14 12.240 21.905 5.938 90 HG21 THR 14 3HG2 THR 14 10.505 21.822 7.378 91 HG22 THR 14 1HG2 THR 14 8.877 21.986 6.716 92 HG23 THR 14 2HG2 THR 14 10.032 23.308 6.555 93 H TPO 15 H TPO 15 8.619 19.145 6.926 94 HA TPO 15 HA TPO 15 6.337 19.259 5.075 95 HB TPO 15 HB TPO 15 6.796 17.121 7.179 96 HG21 TPO 15 1HG2 TPO 15 4.438 17.537 6.798 97 HG22 TPO 15 2HG2 TPO 15 4.878 15.998 6.053 98 HG23 TPO 15 3HG2 TPO 15 4.658 17.437 5.058 99 H SER 16 H SER 16 4.787 20.526 5.838 100 HA SER 16 HA SER 16 4.801 21.306 8.618 101 HB2 SER 16 2HB SER 16 3.146 22.215 6.248 102 HB3 SER 16 1HB SER 16 3.091 22.941 7.858 103 HG SER 16 HG SER 16 5.300 23.379 7.639 104 H VAL 17 H VAL 17 2.829 21.084 9.903 105 HA VAL 17 HA VAL 17 1.618 18.512 9.390 106 HB VAL 17 HB VAL 17 1.101 20.447 11.673 107 HG11 VAL 17 1HG1 VAL 17 0.467 17.509 11.418 108 HG12 VAL 17 2HG1 VAL 17 -0.701 18.829 11.376 109 HG13 VAL 17 3HG1 VAL 17 0.197 18.493 12.857 110 HG21 VAL 17 3HG2 VAL 17 2.600 19.024 12.996 111 HG22 VAL 17 1HG2 VAL 17 3.439 19.758 11.629 112 HG23 VAL 17 2HG2 VAL 17 2.945 18.067 11.558 113 H PHE 18 H PHE 18 -0.076 18.376 8.145 114 HA PHE 18 HA PHE 18 -2.026 20.519 8.266 115 HB2 PHE 18 2HB PHE 18 -2.509 20.276 5.880 116 HB3 PHE 18 1HB PHE 18 -0.826 20.696 6.133 117 HD1 PHE 18 2HD PHE 18 0.904 18.860 5.923 118 HD2 PHE 18 1HD PHE 18 -3.137 18.382 4.678 119 HE1 PHE 18 2HE PHE 18 1.563 16.968 4.510 120 HE2 PHE 18 1HE PHE 18 -2.475 16.485 3.256 121 HZ PHE 18 HZ PHE 18 -0.128 15.781 3.177 122 H ARG 19 H ARG 19 -4.093 20.001 8.275 123 HA ARG 19 HA ARG 19 -4.632 17.187 8.713 124 HB2 ARG 19 2HB ARG 19 -6.799 18.017 9.707 125 HB3 ARG 19 1HB ARG 19 -5.356 18.490 10.585 126 HG2 ARG 19 2HG ARG 19 -5.492 20.711 9.429 127 HG3 ARG 19 1HG ARG 19 -7.052 20.199 8.781 128 HD2 ARG 19 2HD ARG 19 -7.364 21.530 10.782 129 HD3 ARG 19 1HD ARG 19 -7.862 19.860 11.058 130 HE ARG 19 HE ARG 19 -5.225 19.995 11.833 131 HH11 ARG 19 1HH1 ARG 19 -8.256 21.470 12.835 132 HH12 ARG 19 2HH1 ARG 19 -7.778 21.737 14.441 133 HH21 ARG 19 1HH2 ARG 19 -4.537 20.335 13.993 134 HH22 ARG 19 2HH2 ARG 19 -5.555 21.083 15.140 135 H ALA 20 H ALA 20 -4.838 16.364 6.804 136 HA ALA 20 HA ALA 20 -5.952 17.741 4.635 137 HB1 ALA 20 1HB ALA 20 -4.214 16.077 4.370 138 HB2 ALA 20 2HB ALA 20 -5.642 15.687 3.407 139 HB3 ALA 20 3HB ALA 20 -5.328 14.824 4.913 140 H ASP 21 H ASP 21 -7.681 17.025 3.360 141 HA ASP 21 HA ASP 21 -10.077 16.992 4.841 142 HB2 ASP 21 2HB ASP 21 -11.204 17.066 2.681 143 HB3 ASP 21 1HB ASP 21 -9.877 18.216 2.767 144 H LEU 22 H LEU 22 -8.186 14.423 4.327 145 HA LEU 22 HA LEU 22 -10.068 12.496 3.482 146 HB2 LEU 22 2HB LEU 22 -8.497 10.765 4.481 147 HB3 LEU 22 1HB LEU 22 -7.889 11.744 3.177 148 HG LEU 22 HG LEU 22 -6.459 12.990 4.710 149 HD11 LEU 22 1HD1 LEU 22 -7.653 11.323 6.921 150 HD12 LEU 22 2HD1 LEU 22 -7.923 13.048 6.675 151 HD13 LEU 22 3HD1 LEU 22 -6.311 12.456 7.082 152 HD21 LEU 22 3HD2 LEU 22 -6.327 10.032 5.228 153 HD22 LEU 22 1HD2 LEU 22 -5.018 11.184 5.474 154 HD23 LEU 22 2HD2 LEU 22 -5.624 10.876 3.849 155 H LEU 23 H LEU 23 -9.866 14.136 6.442 156 HA LEU 23 HA LEU 23 -10.911 12.090 8.053 157 HB2 LEU 23 2HB LEU 23 -11.211 13.690 9.740 158 HB3 LEU 23 1HB LEU 23 -9.766 14.163 8.905 159 HG LEU 23 HG LEU 23 -12.460 15.511 8.646 160 HD11 LEU 23 1HD1 LEU 23 -11.463 15.841 10.826 161 HD12 LEU 23 2HD1 LEU 23 -11.406 17.331 9.884 162 HD13 LEU 23 3HD1 LEU 23 -9.951 16.357 10.077 163 HD21 LEU 23 3HD2 LEU 23 -9.764 16.338 7.553 164 HD22 LEU 23 1HD2 LEU 23 -11.253 17.282 7.466 165 HD23 LEU 23 2HD2 LEU 23 -11.127 15.752 6.599 166 H LYS 24 H LYS 24 -12.282 14.094 5.642 167 HA LYS 24 HA LYS 24 -14.969 13.758 6.499 168 HB2 LYS 24 2HB LYS 24 -13.664 14.866 4.067 169 HB3 LYS 24 1HB LYS 24 -15.305 14.264 3.894 170 HG2 LYS 24 2HG LYS 24 -15.272 16.655 4.331 171 HG3 LYS 24 1HG LYS 24 -16.087 15.756 5.607 172 HD2 LYS 24 2HD LYS 24 -14.009 15.890 6.955 173 HD3 LYS 24 1HD LYS 24 -13.299 16.903 5.694 174 HE2 LYS 24 2HE LYS 24 -14.197 18.269 7.503 175 HE3 LYS 24 1HE LYS 24 -15.082 18.541 6.004 176 HZ1 LYS 24 3HZ LYS 24 -16.602 18.343 7.846 177 HZ2 LYS 24 1HZ LYS 24 -16.015 16.828 8.270 178 HZ3 LYS 24 2HZ LYS 24 -16.833 17.046 6.827 179 H GLU 25 H GLU 25 -12.697 11.826 4.837 180 HA GLU 25 HA GLU 25 -14.646 10.048 3.730 181 HB2 GLU 25 2HB GLU 25 -11.681 9.780 4.151 182 HB3 GLU 25 1HB GLU 25 -12.673 8.526 3.416 183 HG2 GLU 25 2HG GLU 25 -12.287 11.326 2.387 184 HG3 GLU 25 1HG GLU 25 -11.573 9.857 1.721 185 H MET 26 H MET 26 -12.850 10.326 6.669 186 HA MET 26 HA MET 26 -13.556 7.854 7.865 187 HB2 MET 26 2HB MET 26 -11.843 9.280 8.851 188 HB3 MET 26 1HB MET 26 -13.002 10.585 9.046 189 HG2 MET 26 2HG MET 26 -14.229 9.234 10.681 190 HG3 MET 26 1HG MET 26 -13.043 7.950 10.507 191 HE1 MET 26 3HE MET 26 -12.156 12.124 12.300 192 HE2 MET 26 1HE MET 26 -13.742 11.606 11.734 193 HE3 MET 26 2HE MET 26 -12.438 11.880 10.578 194 H GLU 27 H GLU 27 -14.957 11.059 7.913 195 HA GLU 27 HA GLU 27 -17.274 10.566 9.391 196 HB2 GLU 27 2HB GLU 27 -16.320 12.779 8.966 197 HB3 GLU 27 1HB GLU 27 -16.647 12.607 7.258 198 HG2 GLU 27 2HG GLU 27 -19.007 12.753 7.640 199 HG3 GLU 27 1HG GLU 27 -18.763 12.740 9.389 200 H SER 28 H SER 28 -16.631 10.426 5.929 201 HA SER 28 HA SER 28 -19.151 9.873 4.907 202 HB2 SER 28 2HB SER 28 -17.146 10.526 3.586 203 HB3 SER 28 1HB SER 28 -16.425 8.969 3.944 204 HG SER 28 HG SER 28 -18.924 9.103 2.669 205 H SER 29 H SER 29 -16.695 7.679 6.232 206 HA SER 29 HA SER 29 -18.215 5.322 5.610 207 HB2 SER 29 2HB SER 29 -15.728 5.320 5.627 208 HB3 SER 29 1HB SER 29 -15.758 5.650 7.355 209 HG SER 29 HG SER 29 -17.171 3.591 7.293 210 H THR 30 H THR 30 -18.223 7.643 8.070 211 HA THR 30 HA THR 30 -19.297 7.908 10.015 212 HB THR 30 HB THR 30 -20.571 5.152 9.650 213 HG1 THR 30 1HG THR 30 -21.030 6.225 7.785 214 HG21 THR 30 3HG2 THR 30 -21.589 7.690 10.977 215 HG22 THR 30 1HG2 THR 30 -20.947 6.285 11.829 216 HG23 THR 30 2HG2 THR 30 -22.439 6.146 10.907 217 H GLY 31 H GLY 31 -16.698 6.713 9.718 218 HA2 GLY 31 2HA GLY 31 -15.573 6.475 11.943 219 HA3 GLY 31 1HA GLY 31 -16.586 5.048 12.113 220 H THR 32 H THR 32 -14.887 3.702 12.257 221 HA THR 32 HA THR 32 -12.870 3.641 10.211 222 HB THR 32 HB THR 32 -12.102 3.351 12.474 223 HG1 THR 32 1HG THR 32 -10.990 2.079 11.031 224 HG21 THR 32 3HG2 THR 32 -13.993 1.012 12.709 225 HG22 THR 32 1HG2 THR 32 -14.146 2.565 13.530 226 HG23 THR 32 2HG2 THR 32 -12.807 1.499 13.925 227 H ALA 33 H ALA 33 -12.643 2.133 8.677 228 HA ALA 33 HA ALA 33 -14.931 0.516 7.972 229 HB1 ALA 33 1HB ALA 33 -13.747 1.770 6.222 230 HB2 ALA 33 2HB ALA 33 -13.646 0.036 5.916 231 HB3 ALA 33 3HB ALA 33 -12.262 0.895 6.591 232 HA PRO 34 HA PRO 34 -13.038 -2.713 10.334 233 HB2 PRO 34 2HB PRO 34 -15.005 -4.534 10.198 234 HB3 PRO 34 1HB PRO 34 -15.148 -3.064 11.168 235 HG2 PRO 34 2HG PRO 34 -16.256 -3.651 8.454 236 HG3 PRO 34 1HG PRO 34 -17.026 -2.832 9.824 237 HD2 PRO 34 2HD PRO 34 -15.905 -1.516 7.700 238 HD3 PRO 34 1HD PRO 34 -16.051 -0.822 9.326 239 H ALA 35 H ALA 35 -11.781 -4.376 9.982 240 HA ALA 35 HA ALA 35 -12.159 -6.160 7.706 241 HB1 ALA 35 1HB ALA 35 -10.264 -4.670 7.135 242 HB2 ALA 35 2HB ALA 35 -9.684 -6.299 7.474 243 HB3 ALA 35 3HB ALA 35 -9.509 -5.033 8.688 244 H SER 36 H SER 36 -12.227 -8.250 8.504 245 HA SER 36 HA SER 36 -11.751 -8.369 11.343 246 HB2 SER 36 2HB SER 36 -13.009 -10.538 11.259 247 HB3 SER 36 1HB SER 36 -13.929 -9.124 10.756 248 HG SER 36 HG SER 36 -13.727 -9.731 8.645 249 H THR 37 H THR 37 -11.493 -11.279 9.448 250 HA THR 37 HA THR 37 -8.696 -11.567 9.400 251 HB THR 37 HB THR 37 -8.889 -13.635 11.072 252 HG1 THR 37 1HG THR 37 -11.049 -12.124 11.673 253 HG21 THR 37 3HG2 THR 37 -7.195 -11.890 11.349 254 HG22 THR 37 1HG2 THR 37 -7.908 -12.295 12.911 255 HG23 THR 37 2HG2 THR 37 -8.394 -10.821 12.075 256 H GLY 38 H GLY 38 -8.406 -14.382 9.389 257 HA2 GLY 38 2HA GLY 38 -10.283 -15.990 8.663 258 HA3 GLY 38 1HA GLY 38 -9.886 -15.102 7.180 259 H ALA 39 H ALA 39 -9.043 -17.152 6.649 260 HA ALA 39 HA ALA 39 -6.296 -17.631 7.610 261 HB1 ALA 39 1HB ALA 39 -7.810 -19.037 5.399 262 HB2 ALA 39 2HB ALA 39 -7.658 -19.608 7.062 263 HB3 ALA 39 3HB ALA 39 -6.233 -19.516 6.026 264 H GLU 40 H GLU 40 -8.057 -16.080 5.286 265 HA GLU 40 HA GLU 40 -6.256 -15.740 3.136 266 HB2 GLU 40 2HB GLU 40 -7.862 -13.943 2.492 267 HB3 GLU 40 1HB GLU 40 -8.588 -15.521 2.779 268 HG2 GLU 40 2HG GLU 40 -9.271 -14.773 5.034 269 HG3 GLU 40 1HG GLU 40 -8.591 -13.191 4.688 270 H ASN 41 H ASN 41 -6.185 -14.371 6.237 271 HA ASN 41 HA ASN 41 -5.305 -11.786 5.333 272 HB2 ASN 41 2HB ASN 41 -5.128 -11.137 7.683 273 HB3 ASN 41 1HB ASN 41 -6.668 -11.918 7.390 274 HD21 ASN 41 1HD2 ASN 41 -5.354 -11.511 9.843 275 HD22 ASN 41 2HD2 ASN 41 -5.006 -13.031 10.577 276 H LEU 42 H LEU 42 -3.846 -14.712 6.513 277 HA LEU 42 HA LEU 42 -1.292 -13.616 5.619 278 HB2 LEU 42 2HB LEU 42 -1.614 -15.543 7.946 279 HB3 LEU 42 1HB LEU 42 -0.088 -15.094 7.237 280 HG LEU 42 HG LEU 42 -0.073 -13.891 9.148 281 HD11 LEU 42 1HD1 LEU 42 -0.494 -11.543 8.742 282 HD12 LEU 42 2HD1 LEU 42 -1.347 -11.977 7.264 283 HD13 LEU 42 3HD1 LEU 42 0.370 -12.354 7.434 284 HD21 LEU 42 3HD2 LEU 42 -1.961 -12.736 10.181 285 HD22 LEU 42 1HD2 LEU 42 -2.242 -14.467 9.991 286 HD23 LEU 42 2HD2 LEU 42 -3.004 -13.324 8.886 287 HA PRO 43 HA PRO 43 -2.375 -17.388 3.329 288 HB2 PRO 43 2HB PRO 43 -1.438 -15.994 0.939 289 HB3 PRO 43 1HB PRO 43 -3.052 -16.612 1.296 290 HG2 PRO 43 2HG PRO 43 -2.506 -13.946 1.194 291 HG3 PRO 43 1HG PRO 43 -3.743 -14.634 2.254 292 HD2 PRO 43 2HD PRO 43 -0.930 -13.830 2.914 293 HD3 PRO 43 1HD PRO 43 -2.438 -13.501 3.803 294 H ALA 44 H ALA 44 0.239 -15.736 1.583 295 HA ALA 44 HA ALA 44 2.066 -17.900 2.383 296 HB1 ALA 44 1HB ALA 44 1.944 -17.593 0.000 297 HB2 ALA 44 2HB ALA 44 3.503 -16.976 0.547 298 HB3 ALA 44 3HB ALA 44 2.197 -15.859 0.171 299 H GLY 45 H GLY 45 1.208 -14.878 3.286 300 HA2 GLY 45 2HA GLY 45 2.291 -13.506 4.856 301 HA3 GLY 45 1HA GLY 45 3.805 -14.337 4.491 302 H SER 46 H SER 46 1.959 -13.434 1.804 303 HA SER 46 HA SER 46 3.530 -10.999 1.387 304 HB2 SER 46 2HB SER 46 2.632 -12.927 -0.756 305 HB3 SER 46 1HB SER 46 3.774 -11.596 -0.915 306 HG SER 46 HG SER 46 5.238 -13.032 -0.541 307 H ALA 47 H ALA 47 2.353 -9.396 0.223 308 HA ALA 47 HA ALA 47 -0.484 -9.779 -0.262 309 HB1 ALA 47 1HB ALA 47 0.507 -7.842 1.824 310 HB2 ALA 47 2HB ALA 47 -0.413 -9.311 2.138 311 HB3 ALA 47 3HB ALA 47 -1.154 -7.980 1.249 312 H LEU 48 H LEU 48 -1.408 -7.864 -1.311 313 HA LEU 48 HA LEU 48 0.650 -6.113 -2.339 314 HB2 LEU 48 2HB LEU 48 -0.350 -6.091 -4.577 315 HB3 LEU 48 1HB LEU 48 0.203 -7.679 -4.146 316 HG LEU 48 HG LEU 48 -1.743 -7.947 -5.423 317 HD11 LEU 48 1HD1 LEU 48 -2.593 -8.394 -2.605 318 HD12 LEU 48 2HD1 LEU 48 -1.710 -9.500 -3.658 319 HD13 LEU 48 3HD1 LEU 48 -3.373 -9.054 -4.042 320 HD21 LEU 48 3HD2 LEU 48 -3.933 -6.921 -4.953 321 HD22 LEU 48 1HD2 LEU 48 -2.693 -5.727 -5.346 322 HD23 LEU 48 2HD2 LEU 48 -3.189 -5.966 -3.671 323 H LEU 49 H LEU 49 0.099 -4.040 -2.619 324 HA LEU 49 HA LEU 49 -2.553 -3.388 -1.619 325 HB2 LEU 49 2HB LEU 49 -1.647 -1.183 -0.891 326 HB3 LEU 49 1HB LEU 49 -0.968 -2.549 -0.047 327 HG LEU 49 HG LEU 49 1.079 -2.285 -1.564 328 HD11 LEU 49 1HD1 LEU 49 0.210 -0.918 -3.302 329 HD12 LEU 49 2HD1 LEU 49 1.449 0.012 -2.441 330 HD13 LEU 49 3HD1 LEU 49 -0.264 0.326 -2.157 331 HD21 LEU 49 3HD2 LEU 49 0.388 -0.082 0.361 332 HD22 LEU 49 1HD2 LEU 49 2.011 -0.506 -0.180 333 HD23 LEU 49 2HD2 LEU 49 1.072 -1.653 0.777 334 H VAL 50 H VAL 50 -3.795 -2.031 -2.722 335 HA VAL 50 HA VAL 50 -2.729 -1.243 -5.328 336 HB VAL 50 HB VAL 50 -4.312 -3.107 -5.599 337 HG11 VAL 50 1HG1 VAL 50 -6.366 -1.349 -4.280 338 HG12 VAL 50 2HG1 VAL 50 -5.680 -2.840 -3.631 339 HG13 VAL 50 3HG1 VAL 50 -6.694 -2.888 -5.075 340 HG21 VAL 50 3HG2 VAL 50 -4.216 -1.470 -7.390 341 HG22 VAL 50 1HG2 VAL 50 -5.448 -0.491 -6.593 342 HG23 VAL 50 2HG2 VAL 50 -5.860 -2.084 -7.224 343 H VAL 51 H VAL 51 -2.971 0.823 -5.904 344 HA VAL 51 HA VAL 51 -4.127 2.621 -3.929 345 HB VAL 51 HB VAL 51 -2.944 3.267 -6.648 346 HG11 VAL 51 1HG1 VAL 51 -2.621 5.516 -5.711 347 HG12 VAL 51 2HG1 VAL 51 -3.377 4.990 -4.205 348 HG13 VAL 51 3HG1 VAL 51 -4.323 5.050 -5.691 349 HG21 VAL 51 3HG2 VAL 51 -0.855 3.813 -5.475 350 HG22 VAL 51 1HG2 VAL 51 -1.271 2.109 -5.310 351 HG23 VAL 51 2HG2 VAL 51 -1.550 3.217 -3.970 352 H LYS 52 H LYS 52 -6.117 3.075 -3.915 353 HA LYS 52 HA LYS 52 -7.824 2.222 -6.100 354 HB2 LYS 52 2HB LYS 52 -8.378 1.731 -3.721 355 HB3 LYS 52 1HB LYS 52 -8.509 3.455 -3.428 356 HG2 LYS 52 2HG LYS 52 -10.709 2.498 -3.624 357 HG3 LYS 52 1HG LYS 52 -10.403 3.552 -5.002 358 HD2 LYS 52 2HD LYS 52 -9.874 1.604 -6.387 359 HD3 LYS 52 1HD LYS 52 -10.137 0.548 -5.001 360 HE2 LYS 52 2HE LYS 52 -12.083 0.571 -6.480 361 HE3 LYS 52 1HE LYS 52 -12.475 1.233 -4.898 362 HZ1 LYS 52 3HZ LYS 52 -13.419 2.537 -6.713 363 HZ2 LYS 52 1HZ LYS 52 -11.882 2.851 -7.322 364 HZ3 LYS 52 2HZ LYS 52 -12.333 3.465 -5.832 365 H ARG 53 H ARG 53 -6.755 5.106 -4.492 366 HA ARG 53 HA ARG 53 -7.668 6.751 -6.689 367 HB2 ARG 53 2HB ARG 53 -9.569 6.740 -5.050 368 HB3 ARG 53 1HB ARG 53 -8.468 7.332 -3.819 369 HG2 ARG 53 2HG ARG 53 -9.761 9.175 -4.645 370 HG3 ARG 53 1HG ARG 53 -8.096 9.364 -5.188 371 HD2 ARG 53 2HD ARG 53 -8.726 8.405 -7.376 372 HD3 ARG 53 1HD ARG 53 -10.395 8.296 -6.825 373 HE ARG 53 HE ARG 53 -9.320 10.909 -6.560 374 HH11 ARG 53 1HH1 ARG 53 -10.721 8.677 -8.955 375 HH12 ARG 53 2HH1 ARG 53 -11.345 9.895 -9.951 376 HH21 ARG 53 1HH2 ARG 53 -10.192 12.605 -7.936 377 HH22 ARG 53 2HH2 ARG 53 -11.042 12.204 -9.355 378 H GLY 54 H GLY 54 -6.217 8.427 -6.975 379 HA2 GLY 54 2HA GLY 54 -4.724 9.877 -5.413 380 HA3 GLY 54 1HA GLY 54 -3.888 8.334 -5.258 381 HA PRO 55 HA PRO 55 -2.354 10.684 -9.041 382 HB2 PRO 55 2HB PRO 55 0.243 10.033 -7.763 383 HB3 PRO 55 1HB PRO 55 -0.299 11.549 -8.497 384 HG2 PRO 55 2HG PRO 55 -0.113 11.368 -5.864 385 HG3 PRO 55 1HG PRO 55 -1.495 12.193 -6.607 386 HD2 PRO 55 2HD PRO 55 -1.336 9.416 -5.485 387 HD3 PRO 55 1HD PRO 55 -2.592 10.653 -5.247 388 H ASN 56 H ASN 56 -0.851 7.851 -7.403 389 HA ASN 56 HA ASN 56 -0.318 6.670 -9.985 390 HB2 ASN 56 2HB ASN 56 1.010 5.020 -8.688 391 HB3 ASN 56 1HB ASN 56 1.529 6.676 -8.418 392 HD21 ASN 56 1HD2 ASN 56 1.988 4.361 -6.785 393 HD22 ASN 56 2HD2 ASN 56 1.256 4.689 -5.255 394 H ALA 57 H ALA 57 -3.052 6.891 -8.802 395 HA ALA 57 HA ALA 57 -4.052 4.456 -7.868 396 HB1 ALA 57 1HB ALA 57 -6.238 5.212 -8.631 397 HB2 ALA 57 2HB ALA 57 -5.472 6.449 -9.630 398 HB3 ALA 57 3HB ALA 57 -5.355 6.537 -7.873 399 H GLY 58 H GLY 58 -4.763 2.621 -8.796 400 HA2 GLY 58 2HA GLY 58 -5.491 1.329 -10.680 401 HA3 GLY 58 1HA GLY 58 -4.516 2.366 -11.715 402 H ALA 59 H ALA 59 -2.347 2.308 -9.702 403 HA ALA 59 HA ALA 59 -1.143 -0.144 -10.644 404 HB1 ALA 59 1HB ALA 59 0.955 0.808 -9.823 405 HB2 ALA 59 2HB ALA 59 0.071 2.175 -9.141 406 HB3 ALA 59 3HB ALA 59 0.120 1.940 -10.889 407 H ARG 60 H ARG 60 -0.172 -1.619 -9.259 408 HA ARG 60 HA ARG 60 -0.969 -1.428 -6.463 409 HB2 ARG 60 2HB ARG 60 -1.478 -3.785 -6.386 410 HB3 ARG 60 1HB ARG 60 -2.415 -3.075 -7.687 411 HG2 ARG 60 2HG ARG 60 -0.771 -3.948 -9.307 412 HG3 ARG 60 1HG ARG 60 0.110 -4.683 -7.973 413 HD2 ARG 60 2HD ARG 60 -1.914 -5.978 -7.394 414 HD3 ARG 60 1HD ARG 60 -2.714 -5.297 -8.811 415 HE ARG 60 HE ARG 60 -0.227 -6.514 -9.431 416 HH11 ARG 60 1HH1 ARG 60 -3.676 -7.214 -8.901 417 HH12 ARG 60 2HH1 ARG 60 -3.649 -8.665 -9.788 418 HH21 ARG 60 1HH2 ARG 60 -0.214 -8.526 -10.638 419 HH22 ARG 60 2HH2 ARG 60 -1.661 -9.427 -10.777 420 H PHE 61 H PHE 61 0.458 -2.513 -5.049 421 HA PHE 61 HA PHE 61 3.083 -3.084 -6.210 422 HB2 PHE 61 2HB PHE 61 2.513 -1.461 -3.718 423 HB3 PHE 61 1HB PHE 61 4.110 -2.014 -4.202 424 HD1 PHE 61 1HD PHE 61 5.256 -0.994 -6.081 425 HD2 PHE 61 2HD PHE 61 1.405 0.358 -4.894 426 HE1 PHE 61 1HE PHE 61 5.549 1.030 -7.448 427 HE2 PHE 61 2HE PHE 61 1.690 2.381 -6.254 428 HZ PHE 61 HZ PHE 61 3.764 2.721 -7.536 429 H LEU 62 H LEU 62 3.953 -4.896 -5.510 430 HA LEU 62 HA LEU 62 2.389 -6.494 -3.653 431 HB2 LEU 62 2HB LEU 62 2.851 -7.427 -5.858 432 HB3 LEU 62 1HB LEU 62 4.568 -7.217 -5.610 433 HG LEU 62 HG LEU 62 4.503 -8.916 -3.812 434 HD11 LEU 62 1HD1 LEU 62 1.628 -9.269 -4.647 435 HD12 LEU 62 2HD1 LEU 62 2.190 -8.628 -3.099 436 HD13 LEU 62 3HD1 LEU 62 2.522 -10.303 -3.531 437 HD21 LEU 62 3HD2 LEU 62 5.052 -9.561 -6.093 438 HD22 LEU 62 1HD2 LEU 62 3.342 -9.806 -6.447 439 HD23 LEU 62 2HD2 LEU 62 4.157 -10.841 -5.275 440 H LEU 63 H LEU 63 3.129 -6.999 -1.707 441 HA LEU 63 HA LEU 63 5.855 -6.249 -0.983 442 HB2 LEU 63 2HB LEU 63 3.472 -6.736 0.834 443 HB3 LEU 63 1HB LEU 63 5.060 -6.226 1.344 444 HG LEU 63 HG LEU 63 3.743 -4.324 1.520 445 HD11 LEU 63 1HD1 LEU 63 5.808 -3.794 0.463 446 HD12 LEU 63 2HD1 LEU 63 4.529 -2.735 -0.132 447 HD13 LEU 63 3HD1 LEU 63 5.103 -4.069 -1.129 448 HD21 LEU 63 3HD2 LEU 63 2.218 -3.467 -0.192 449 HD22 LEU 63 1HD2 LEU 63 1.762 -5.086 0.336 450 HD23 LEU 63 2HD2 LEU 63 2.578 -4.863 -1.211 451 H ASP 64 H ASP 64 7.051 -7.999 -1.277 452 HA ASP 64 HA ASP 64 6.224 -10.521 0.018 453 HB2 ASP 64 2HB ASP 64 6.052 -10.670 -2.482 454 HB3 ASP 64 1HB ASP 64 7.741 -10.218 -2.604 455 H GLN 65 H GLN 65 7.852 -8.090 0.551 456 HA GLN 65 HA GLN 65 10.489 -9.267 1.090 457 HB2 GLN 65 2HB GLN 65 11.332 -6.935 0.958 458 HB3 GLN 65 1HB GLN 65 10.589 -7.443 -0.547 459 HG2 GLN 65 2HG GLN 65 8.474 -6.317 0.318 460 HG3 GLN 65 1HG GLN 65 9.515 -5.581 1.529 461 HE21 GLN 65 1HE2 GLN 65 11.773 -5.302 -0.312 462 HE22 GLN 65 2HE2 GLN 65 11.325 -4.034 -1.411 463 HA PRO 66 HA PRO 66 9.522 -8.667 5.362 464 HB2 PRO 66 2HB PRO 66 11.922 -8.177 6.482 465 HB3 PRO 66 1HB PRO 66 11.483 -9.760 5.835 466 HG2 PRO 66 2HG PRO 66 13.115 -7.591 4.583 467 HG3 PRO 66 1HG PRO 66 13.415 -9.338 4.615 468 HD2 PRO 66 2HD PRO 66 12.334 -8.068 2.471 469 HD3 PRO 66 1HD PRO 66 11.946 -9.745 2.882 470 H THR 67 H THR 67 10.834 -6.016 3.601 471 HA THR 67 HA THR 67 9.790 -4.156 5.552 472 HB THR 67 HB THR 67 12.721 -4.192 4.778 473 HG1 THR 67 1HG THR 67 11.324 -5.224 6.803 474 HG21 THR 67 3HG2 THR 67 12.946 -2.203 6.224 475 HG22 THR 67 1HG2 THR 67 11.200 -2.183 6.470 476 HG23 THR 67 2HG2 THR 67 11.868 -1.883 4.866 477 H THR 68 H THR 68 8.848 -2.529 4.421 478 HA THR 68 HA THR 68 9.943 -1.822 1.791 479 HB THR 68 HB THR 68 6.983 -1.783 2.449 480 HG1 THR 68 1HG THR 68 8.168 -3.667 0.720 481 HG21 THR 68 3HG2 THR 68 7.787 -0.291 0.645 482 HG22 THR 68 1HG2 THR 68 6.735 -1.576 0.042 483 HG23 THR 68 2HG2 THR 68 8.479 -1.701 -0.162 484 H THR 69 H THR 69 10.462 0.279 1.707 485 HA THR 69 HA THR 69 9.554 2.116 3.757 486 HB THR 69 HB THR 69 11.445 2.523 1.416 487 HG1 THR 69 1HG THR 69 12.350 1.027 2.754 488 HG21 THR 69 3HG2 THR 69 11.047 4.144 3.937 489 HG22 THR 69 1HG2 THR 69 10.541 4.627 2.318 490 HG23 THR 69 2HG2 THR 69 12.257 4.463 2.695 491 H ALA 70 H ALA 70 7.888 3.575 3.386 492 HA ALA 70 HA ALA 70 7.059 3.927 0.607 493 HB1 ALA 70 1HB ALA 70 5.436 2.658 1.909 494 HB2 ALA 70 2HB ALA 70 4.782 4.223 1.421 495 HB3 ALA 70 3HB ALA 70 5.334 3.974 3.078 496 H GLY 71 H GLY 71 6.856 5.906 -0.122 497 HA2 GLY 71 2HA GLY 71 6.200 8.266 0.871 498 HA3 GLY 71 1HA GLY 71 7.897 8.114 1.370 499 H ARG 72 H ARG 72 8.062 9.985 -0.300 500 HA ARG 72 HA ARG 72 8.188 8.740 -2.936 501 HB2 ARG 72 2HB ARG 72 6.723 10.673 -2.939 502 HB3 ARG 72 1HB ARG 72 7.980 11.669 -2.215 503 HG2 ARG 72 2HG ARG 72 9.345 11.445 -4.188 504 HG3 ARG 72 1HG ARG 72 8.171 10.349 -4.909 505 HD2 ARG 72 2HD ARG 72 6.541 12.121 -5.019 506 HD3 ARG 72 1HD ARG 72 7.640 13.220 -4.174 507 HE ARG 72 HE ARG 72 9.153 12.606 -6.169 508 HH11 ARG 72 1HH1 ARG 72 5.632 13.195 -6.389 509 HH12 ARG 72 2HH1 ARG 72 5.743 13.900 -7.919 510 HH21 ARG 72 1HH2 ARG 72 9.243 13.563 -8.258 511 HH22 ARG 72 2HH2 ARG 72 7.833 14.105 -9.041 512 H HIS 73 H HIS 73 10.029 8.171 -3.573 513 HA HIS 73 HA HIS 73 12.399 9.658 -3.630 514 HB2 HIS 73 2HB HIS 73 12.185 7.321 -1.701 515 HB3 HIS 73 1HB HIS 73 13.695 7.743 -2.476 516 HD1 HIS 73 1HD HIS 73 12.402 7.957 0.667 517 HD2 HIS 73 2HD HIS 73 13.837 10.804 -1.944 518 HE1 HIS 73 1HE HIS 73 13.302 9.788 2.113 519 HA PRO 74 HA PRO 74 12.666 6.337 -6.721 520 HB2 PRO 74 2HB PRO 74 15.585 6.802 -6.699 521 HB3 PRO 74 1HB PRO 74 14.458 6.992 -8.043 522 HG2 PRO 74 2HG PRO 74 15.589 9.122 -6.867 523 HG3 PRO 74 1HG PRO 74 13.918 9.172 -7.459 524 HD2 PRO 74 2HD PRO 74 14.935 8.817 -4.665 525 HD3 PRO 74 1HD PRO 74 13.588 9.814 -5.265 526 H GLU 75 H GLU 75 14.358 6.700 -3.852 527 HA GLU 75 HA GLU 75 15.666 4.169 -3.648 528 HB2 GLU 75 2HB GLU 75 14.926 6.092 -1.443 529 HB3 GLU 75 1HB GLU 75 16.147 4.834 -1.389 530 HG2 GLU 75 2HG GLU 75 16.231 7.317 -3.090 531 HG3 GLU 75 1HG GLU 75 17.161 7.022 -1.625 532 H SER 76 H SER 76 12.487 5.437 -2.928 533 HA SER 76 HA SER 76 11.723 3.511 -0.998 534 HB2 SER 76 2HB SER 76 10.025 5.196 -2.866 535 HB3 SER 76 1HB SER 76 9.450 4.343 -1.431 536 HG SER 76 HG SER 76 9.850 6.530 -1.034 537 H ASP 77 H ASP 77 10.955 1.490 -1.306 538 HA ASP 77 HA ASP 77 11.385 0.226 -3.792 539 HB2 ASP 77 2HB ASP 77 11.389 -0.876 -1.483 540 HB3 ASP 77 1HB ASP 77 9.630 -0.876 -1.604 541 H ILE 78 H ILE 78 8.493 1.368 -2.144 542 HA ILE 78 HA ILE 78 7.070 0.942 -4.641 543 HB ILE 78 HB ILE 78 4.956 1.068 -3.361 544 HG12 ILE 78 2HG1 ILE 78 6.702 1.152 -0.869 545 HG13 ILE 78 1HG1 ILE 78 5.755 2.506 -1.476 546 HG21 ILE 78 1HG2 ILE 78 5.150 -1.087 -2.193 547 HG22 ILE 78 2HG2 ILE 78 6.907 -0.949 -2.254 548 HG23 ILE 78 3HG2 ILE 78 5.987 -1.105 -3.748 549 HD11 ILE 78 3HD1 ILE 78 4.637 1.415 0.389 550 HD12 ILE 78 1HD1 ILE 78 4.667 -0.118 -0.479 551 HD13 ILE 78 2HD1 ILE 78 3.703 1.222 -1.094 552 H PHE 79 H PHE 79 6.741 2.679 -5.834 553 HA PHE 79 HA PHE 79 7.333 5.231 -4.621 554 HB2 PHE 79 2HB PHE 79 8.434 4.585 -6.753 555 HB3 PHE 79 1HB PHE 79 6.859 4.596 -7.541 556 HD1 PHE 79 2HD PHE 79 9.239 6.726 -5.677 557 HD2 PHE 79 1HD PHE 79 6.027 6.591 -8.457 558 HE1 PHE 79 2HE PHE 79 9.535 9.112 -6.119 559 HE2 PHE 79 1HE PHE 79 6.317 8.998 -8.907 560 HZ PHE 79 HZ PHE 79 8.070 10.261 -7.736 561 H LEU 80 H LEU 80 5.796 6.238 -3.728 562 HA LEU 80 HA LEU 80 3.056 6.293 -4.880 563 HB2 LEU 80 2HB LEU 80 3.902 6.812 -2.025 564 HB3 LEU 80 1HB LEU 80 2.285 6.585 -2.650 565 HG LEU 80 HG LEU 80 4.365 4.408 -2.434 566 HD11 LEU 80 1HD1 LEU 80 3.651 5.182 -0.252 567 HD12 LEU 80 2HD1 LEU 80 3.006 3.574 -0.588 568 HD13 LEU 80 3HD1 LEU 80 1.963 4.992 -0.725 569 HD21 LEU 80 3HD2 LEU 80 2.482 2.895 -2.866 570 HD22 LEU 80 1HD2 LEU 80 2.768 3.990 -4.218 571 HD23 LEU 80 2HD2 LEU 80 1.425 4.288 -3.108 572 H ASP 81 H ASP 81 2.256 8.341 -5.180 573 HA ASP 81 HA ASP 81 4.169 10.472 -4.569 574 HB2 ASP 81 2HB ASP 81 3.688 10.254 -6.994 575 HB3 ASP 81 1HB ASP 81 1.978 10.517 -6.663 576 H ASP 82 H ASP 82 3.676 11.706 -3.055 577 HA ASP 82 HA ASP 82 1.000 11.558 -1.916 578 HB2 ASP 82 2HB ASP 82 2.598 10.647 -0.422 579 HB3 ASP 82 1HB ASP 82 3.743 11.936 -0.734 580 H VAL 83 H VAL 83 0.565 13.529 -0.460 581 HA VAL 83 HA VAL 83 0.095 15.789 -2.144 582 HB VAL 83 HB VAL 83 -0.099 15.631 0.879 583 HG11 VAL 83 1HG1 VAL 83 -1.511 17.429 -1.085 584 HG12 VAL 83 2HG1 VAL 83 -0.238 17.899 0.041 585 HG13 VAL 83 3HG1 VAL 83 -1.807 17.374 0.653 586 HG21 VAL 83 3HG2 VAL 83 -2.450 15.018 0.575 587 HG22 VAL 83 1HG2 VAL 83 -1.366 13.807 -0.109 588 HG23 VAL 83 2HG2 VAL 83 -2.198 14.943 -1.169 589 H THR 84 H THR 84 2.482 14.887 0.239 590 HA THR 84 HA THR 84 3.892 17.406 -0.211 591 HB THR 84 HB THR 84 4.178 15.440 2.080 592 HG1 THR 84 1HG THR 84 2.378 16.178 2.717 593 HG21 THR 84 3HG2 THR 84 6.066 17.002 1.675 594 HG22 THR 84 1HG2 THR 84 5.264 17.326 3.212 595 HG23 THR 84 2HG2 THR 84 4.944 18.355 1.820 596 H VAL 85 H VAL 85 6.312 16.997 -0.410 597 HA VAL 85 HA VAL 85 6.866 14.366 -1.475 598 HB VAL 85 HB VAL 85 8.814 16.622 -0.814 599 HG11 VAL 85 1HG1 VAL 85 9.168 14.186 -2.563 600 HG12 VAL 85 2HG1 VAL 85 9.895 14.442 -0.979 601 HG13 VAL 85 3HG1 VAL 85 10.359 15.468 -2.339 602 HG21 VAL 85 3HG2 VAL 85 8.798 17.170 -3.207 603 HG22 VAL 85 1HG2 VAL 85 7.202 17.375 -2.485 604 HG23 VAL 85 2HG2 VAL 85 7.547 15.955 -3.472 605 H SER 86 H SER 86 6.565 12.961 0.174 606 HA SER 86 HA SER 86 7.680 13.558 2.740 607 HB2 SER 86 2HB SER 86 6.398 11.286 3.148 608 HB3 SER 86 1HB SER 86 5.517 12.812 3.010 609 HG SER 86 HG SER 86 4.584 12.082 1.339 610 H ARG 87 H ARG 87 9.328 12.557 3.568 611 HA ARG 87 HA ARG 87 11.235 11.256 1.801 612 HB2 ARG 87 2HB ARG 87 11.478 11.166 4.780 613 HB3 ARG 87 1HB ARG 87 12.724 11.441 3.579 614 HG2 ARG 87 2HG ARG 87 12.009 13.699 3.272 615 HG3 ARG 87 1HG ARG 87 10.622 13.474 4.325 616 HD2 ARG 87 2HD ARG 87 12.273 12.828 6.133 617 HD3 ARG 87 1HD ARG 87 13.517 13.490 5.070 618 HE ARG 87 HE ARG 87 11.330 15.259 5.443 619 HH11 ARG 87 1HH1 ARG 87 14.367 14.178 6.915 620 HH12 ARG 87 2HH1 ARG 87 14.535 15.561 7.894 621 HH21 ARG 87 1HH2 ARG 87 11.599 17.156 6.760 622 HH22 ARG 87 2HH2 ARG 87 12.936 17.308 7.791 623 H ARG 88 H ARG 88 9.459 10.532 4.613 624 HA ARG 88 HA ARG 88 9.033 7.767 3.928 625 HB2 ARG 88 2HB ARG 88 10.612 8.684 6.306 626 HB3 ARG 88 1HB ARG 88 9.560 7.290 6.456 627 HG2 ARG 88 2HG ARG 88 10.789 6.226 4.596 628 HG3 ARG 88 1HG ARG 88 11.900 7.599 4.599 629 HD2 ARG 88 2HD ARG 88 12.787 7.047 6.662 630 HD3 ARG 88 1HD ARG 88 11.362 6.128 7.144 631 HE ARG 88 HE ARG 88 13.076 5.168 4.985 632 HH11 ARG 88 1HH1 ARG 88 12.136 4.812 8.382 633 HH12 ARG 88 2HH1 ARG 88 12.225 3.091 8.338 634 HH21 ARG 88 1HH2 ARG 88 13.226 2.725 5.036 635 HH22 ARG 88 2HH2 ARG 88 12.840 1.974 6.532 636 H HIS 89 H HIS 89 6.945 7.638 4.088 637 HA HIS 89 HA HIS 89 5.626 9.290 6.093 638 HB2 HIS 89 2HB HIS 89 4.743 9.509 3.806 639 HB3 HIS 89 1HB HIS 89 4.451 7.775 3.742 640 HD2 HIS 89 2HD HIS 89 3.206 10.695 6.126 641 HE1 HIS 89 1HE HIS 89 0.081 7.980 5.370 642 HE2 HIS 89 2HE HIS 89 1.021 9.684 6.921 643 H ALA 90 H ALA 90 5.839 5.981 4.893 644 HA ALA 90 HA ALA 90 5.155 5.056 7.563 645 HB1 ALA 90 1HB ALA 90 3.032 5.093 6.357 646 HB2 ALA 90 2HB ALA 90 3.554 3.432 6.645 647 HB3 ALA 90 3HB ALA 90 3.743 4.152 5.046 648 H GLU 91 H GLU 91 5.972 3.010 7.931 649 HA GLU 91 HA GLU 91 7.662 1.894 5.813 650 HB2 GLU 91 2HB GLU 91 9.038 2.910 7.611 651 HB3 GLU 91 1HB GLU 91 8.220 1.903 8.794 652 HG2 GLU 91 2HG GLU 91 9.109 -0.097 7.655 653 HG3 GLU 91 1HG GLU 91 9.997 0.959 6.559 654 H PHE 92 H PHE 92 7.382 -0.208 5.444 655 HA PHE 92 HA PHE 92 5.268 -1.562 6.965 656 HB2 PHE 92 2HB PHE 92 6.366 -2.048 4.198 657 HB3 PHE 92 1HB PHE 92 5.168 -3.064 4.969 658 HD1 PHE 92 1HD PHE 92 5.688 0.523 4.022 659 HD2 PHE 92 2HD PHE 92 2.960 -2.707 4.474 660 HE1 PHE 92 1HE PHE 92 3.893 1.903 3.061 661 HE2 PHE 92 2HE PHE 92 1.166 -1.331 3.521 662 HZ PHE 92 HZ PHE 92 1.634 0.980 2.812 663 H ARG 93 H ARG 93 5.960 -3.070 8.285 664 HA ARG 93 HA ARG 93 8.464 -4.421 7.630 665 HB2 ARG 93 2HB ARG 93 7.220 -3.836 10.329 666 HB3 ARG 93 1HB ARG 93 8.562 -4.941 10.102 667 HG2 ARG 93 2HG ARG 93 8.630 -2.027 9.354 668 HG3 ARG 93 1HG ARG 93 9.200 -2.670 10.893 669 HD2 ARG 93 2HD ARG 93 10.848 -4.039 9.731 670 HD3 ARG 93 1HD ARG 93 10.243 -3.476 8.173 671 HE ARG 93 HE ARG 93 10.862 -1.184 9.371 672 HH11 ARG 93 1HH1 ARG 93 12.808 -4.129 9.062 673 HH12 ARG 93 2HH1 ARG 93 14.288 -3.294 8.941 674 HH21 ARG 93 1HH2 ARG 93 12.839 -0.067 9.161 675 HH22 ARG 93 2HH2 ARG 93 14.312 -0.925 9.070 676 H ILE 94 H ILE 94 8.207 -6.437 7.148 677 HA ILE 94 HA ILE 94 5.729 -7.737 7.917 678 HB ILE 94 HB ILE 94 7.651 -8.372 5.635 679 HG12 ILE 94 2HG1 ILE 94 5.496 -8.129 4.245 680 HG13 ILE 94 1HG1 ILE 94 4.792 -7.450 5.706 681 HG21 ILE 94 1HG2 ILE 94 6.929 -10.469 6.605 682 HG22 ILE 94 2HG2 ILE 94 6.176 -10.242 5.027 683 HG23 ILE 94 3HG2 ILE 94 5.243 -9.964 6.498 684 HD11 ILE 94 3HD1 ILE 94 5.463 -5.713 4.135 685 HD12 ILE 94 1HD1 ILE 94 7.127 -6.299 4.192 686 HD13 ILE 94 2HD1 ILE 94 6.385 -5.611 5.636 687 H ASN 95 H ASN 95 5.856 -9.213 9.385 688 HA ASN 95 HA ASN 95 8.443 -10.446 10.017 689 HB2 ASN 95 2HB ASN 95 7.970 -8.437 11.464 690 HB3 ASN 95 1HB ASN 95 6.574 -9.301 12.102 691 HD21 ASN 95 1HD2 ASN 95 9.946 -8.898 12.172 692 HD22 ASN 95 2HD2 ASN 95 10.309 -10.024 13.420 693 H GLU 96 H GLU 96 8.150 -12.520 10.094 694 HA GLU 96 HA GLU 96 7.258 -14.610 10.130 695 HB2 GLU 96 2HB GLU 96 5.419 -13.367 12.192 696 HB3 GLU 96 1HB GLU 96 5.537 -15.091 11.879 697 HG2 GLU 96 2HG GLU 96 7.709 -13.295 12.934 698 HG3 GLU 96 1HG GLU 96 6.829 -14.541 13.824 699 H GLY 97 H GLY 97 6.336 -12.847 8.156 700 HA2 GLY 97 2HA GLY 97 4.876 -13.073 6.375 701 HA3 GLY 97 1HA GLY 97 4.024 -14.313 7.281 702 H GLU 98 H GLU 98 4.202 -11.718 9.341 703 HA GLU 98 HA GLU 98 1.542 -10.833 8.551 704 HB2 GLU 98 2HB GLU 98 3.012 -10.506 11.173 705 HB3 GLU 98 1HB GLU 98 1.359 -9.997 10.853 706 HG2 GLU 98 2HG GLU 98 0.834 -12.392 10.355 707 HG3 GLU 98 1HG GLU 98 2.435 -12.792 10.939 708 H PHE 99 H PHE 99 1.076 -8.593 8.616 709 HA PHE 99 HA PHE 99 3.413 -7.065 7.680 710 HB2 PHE 99 2HB PHE 99 0.545 -6.486 6.979 711 HB3 PHE 99 1HB PHE 99 2.003 -6.051 6.099 712 HD1 PHE 99 2HD PHE 99 3.159 -7.757 4.715 713 HD2 PHE 99 1HD PHE 99 -0.522 -8.596 6.679 714 HE1 PHE 99 2HE PHE 99 2.858 -9.743 3.313 715 HE2 PHE 99 1HE PHE 99 -0.829 -10.580 5.270 716 HZ PHE 99 HZ PHE 99 0.864 -11.157 3.588 717 H GLU 100 H GLU 100 3.959 -5.497 9.174 718 HA GLU 100 HA GLU 100 1.714 -4.109 10.402 719 HB2 GLU 100 2HB GLU 100 3.113 -3.577 12.346 720 HB3 GLU 100 1HB GLU 100 2.965 -5.310 12.137 721 HG2 GLU 100 2HG GLU 100 5.203 -5.427 11.225 722 HG3 GLU 100 1HG GLU 100 5.337 -3.670 11.301 723 H VAL 101 H VAL 101 1.552 -2.041 10.062 724 HA VAL 101 HA VAL 101 3.707 -0.770 8.541 725 HB VAL 101 HB VAL 101 0.800 0.061 8.811 726 HG11 VAL 101 1HG1 VAL 101 2.981 1.113 7.000 727 HG12 VAL 101 2HG1 VAL 101 2.289 1.958 8.384 728 HG13 VAL 101 3HG1 VAL 101 1.288 1.612 6.972 729 HG21 VAL 101 3HG2 VAL 101 2.234 -1.265 6.522 730 HG22 VAL 101 1HG2 VAL 101 0.571 -0.684 6.497 731 HG23 VAL 101 2HG2 VAL 101 1.024 -2.010 7.567 732 H VAL 102 H VAL 102 4.858 0.684 9.534 733 HA VAL 102 HA VAL 102 3.759 1.857 11.960 734 HB VAL 102 HB VAL 102 6.081 2.249 12.737 735 HG11 VAL 102 1HG1 VAL 102 5.496 -0.628 12.058 736 HG12 VAL 102 2HG1 VAL 102 4.948 0.248 13.487 737 HG13 VAL 102 3HG1 VAL 102 6.667 -0.078 13.255 738 HG21 VAL 102 3HG2 VAL 102 7.972 1.110 11.612 739 HG22 VAL 102 1HG2 VAL 102 7.241 2.364 10.608 740 HG23 VAL 102 2HG2 VAL 102 6.890 0.666 10.295 741 H ASP 103 H ASP 103 3.767 3.974 12.171 742 HA ASP 103 HA ASP 103 4.076 5.528 9.745 743 HB2 ASP 103 2HB ASP 103 2.060 6.027 10.875 744 HB3 ASP 103 1HB ASP 103 2.847 6.037 12.442 745 H VAL 104 H VAL 104 5.423 7.145 9.437 746 HA VAL 104 HA VAL 104 7.237 7.971 11.521 747 HB VAL 104 HB VAL 104 8.277 6.003 10.447 748 HG11 VAL 104 1HG1 VAL 104 9.074 6.077 8.140 749 HG12 VAL 104 2HG1 VAL 104 8.147 7.569 7.908 750 HG13 VAL 104 3HG1 VAL 104 7.316 6.067 8.286 751 HG21 VAL 104 3HG2 VAL 104 10.459 6.976 9.879 752 HG22 VAL 104 1HG2 VAL 104 9.768 7.677 11.344 753 HG23 VAL 104 2HG2 VAL 104 9.717 8.574 9.824 754 H GLY 105 H GLY 105 4.966 8.878 9.630 755 HA2 GLY 105 2HA GLY 105 6.251 11.359 8.769 756 HA3 GLY 105 1HA GLY 105 5.189 10.475 7.672 757 H SER 106 H SER 106 5.065 11.090 11.113 758 HA SER 106 HA SER 106 2.339 11.242 11.432 759 HB2 SER 106 2HB SER 106 4.374 12.613 13.156 760 HB3 SER 106 1HB SER 106 2.870 11.827 13.645 761 HG SER 106 HG SER 106 3.837 9.844 12.757 762 H LEU 107 H LEU 107 4.132 13.504 9.836 763 HA LEU 107 HA LEU 107 2.738 15.881 10.800 764 HB2 LEU 107 2HB LEU 107 4.713 15.711 8.521 765 HB3 LEU 107 1HB LEU 107 4.197 17.146 9.367 766 HG LEU 107 HG LEU 107 6.353 16.826 10.081 767 HD11 LEU 107 1HD1 LEU 107 4.695 15.516 12.191 768 HD12 LEU 107 2HD1 LEU 107 4.946 17.245 11.948 769 HD13 LEU 107 3HD1 LEU 107 6.296 16.217 12.423 770 HD21 LEU 107 3HD2 LEU 107 7.351 14.709 10.819 771 HD22 LEU 107 1HD2 LEU 107 6.782 14.621 9.154 772 HD23 LEU 107 2HD2 LEU 107 5.847 13.870 10.447 773 H ASN 108 H ASN 108 2.662 13.530 8.272 774 HA ASN 108 HA ASN 108 1.305 15.322 6.411 775 HB2 ASN 108 2HB ASN 108 3.285 13.950 5.718 776 HB3 ASN 108 1HB ASN 108 2.313 12.514 5.976 777 HD21 ASN 108 1HD2 ASN 108 0.999 11.830 4.330 778 HD22 ASN 108 2HD2 ASN 108 0.894 12.668 2.817 779 H GLY 109 H GLY 109 0.594 12.771 8.600 780 HA2 GLY 109 2HA GLY 109 -1.665 12.446 9.311 781 HA3 GLY 109 1HA GLY 109 -2.198 12.939 7.714 782 H THR 110 H THR 110 -0.504 10.369 9.425 783 HA THR 110 HA THR 110 -1.019 8.488 7.301 784 HB THR 110 HB THR 110 0.080 7.989 10.066 785 HG1 THR 110 1HG THR 110 2.073 8.587 9.212 786 HG21 THR 110 3HG2 THR 110 -0.483 5.982 8.726 787 HG22 THR 110 1HG2 THR 110 1.262 6.143 8.920 788 HG23 THR 110 2HG2 THR 110 0.500 6.601 7.398 789 H TYR 111 H TYR 111 -2.786 7.194 7.213 790 HA TYR 111 HA TYR 111 -4.301 6.682 9.654 791 HB2 TYR 111 2HB TYR 111 -5.351 7.666 7.011 792 HB3 TYR 111 1HB TYR 111 -6.393 6.806 8.139 793 HD1 TYR 111 1HD TYR 111 -4.176 9.811 7.866 794 HD2 TYR 111 2HD TYR 111 -7.523 8.026 9.785 795 HE1 TYR 111 1HE TYR 111 -4.668 11.945 8.983 796 HE2 TYR 111 2HE TYR 111 -8.020 10.153 10.906 797 HH TYR 111 HH TYR 111 -6.584 13.074 9.985 798 H VAL 112 H VAL 112 -4.717 4.638 9.951 799 HA VAL 112 HA VAL 112 -4.793 2.777 7.694 800 HB VAL 112 HB VAL 112 -3.524 2.081 10.383 801 HG11 VAL 112 1HG1 VAL 112 -2.721 0.078 9.194 802 HG12 VAL 112 2HG1 VAL 112 -3.581 0.613 7.752 803 HG13 VAL 112 3HG1 VAL 112 -4.481 0.195 9.207 804 HG21 VAL 112 3HG2 VAL 112 -2.082 2.697 7.795 805 HG22 VAL 112 1HG2 VAL 112 -1.331 2.085 9.267 806 HG23 VAL 112 2HG2 VAL 112 -2.058 3.690 9.252 807 H ASN 113 H ASN 113 -6.406 1.183 8.012 808 HA ASN 113 HA ASN 113 -8.621 0.624 8.478 809 HB2 ASN 113 2HB ASN 113 -8.118 1.572 11.343 810 HB3 ASN 113 1HB ASN 113 -9.393 0.519 10.803 811 HD21 ASN 113 1HD2 ASN 113 -7.375 -1.209 9.342 812 HD22 ASN 113 2HD2 ASN 113 -6.600 -2.046 10.612 813 H ARG 114 H ARG 114 -7.882 3.294 7.670 814 HA ARG 114 HA ARG 114 -8.510 5.473 7.564 815 HB2 ARG 114 2HB ARG 114 -11.167 4.440 8.627 816 HB3 ARG 114 1HB ARG 114 -10.920 6.029 7.920 817 HG2 ARG 114 2HG ARG 114 -10.262 4.901 5.794 818 HG3 ARG 114 1HG ARG 114 -10.712 3.363 6.529 819 HD2 ARG 114 2HD ARG 114 -12.997 4.271 6.900 820 HD3 ARG 114 1HD ARG 114 -12.521 5.734 6.042 821 HE ARG 114 HE ARG 114 -12.238 3.170 4.661 822 HH11 ARG 114 1HH1 ARG 114 -13.933 6.322 4.813 823 HH12 ARG 114 2HH1 ARG 114 -14.834 6.034 3.412 824 HH21 ARG 114 1HH2 ARG 114 -13.556 2.805 2.778 825 HH22 ARG 114 2HH2 ARG 114 -14.641 3.980 2.243 826 H GLU 115 H GLU 115 -7.564 4.275 10.288 827 HA GLU 115 HA GLU 115 -8.491 6.336 12.145 828 HB2 GLU 115 2HB GLU 115 -7.174 3.646 12.524 829 HB3 GLU 115 1HB GLU 115 -7.421 4.793 13.824 830 HG2 GLU 115 2HG GLU 115 -9.639 3.614 12.175 831 HG3 GLU 115 1HG GLU 115 -9.076 2.937 13.703 832 HA PRO 116 HA PRO 116 -4.279 8.036 12.010 833 HB2 PRO 116 2HB PRO 116 -4.712 8.806 14.821 834 HB3 PRO 116 1HB PRO 116 -4.429 9.845 13.421 835 HG2 PRO 116 2HG PRO 116 -6.831 9.674 14.681 836 HG3 PRO 116 1HG PRO 116 -6.664 10.047 12.960 837 HD2 PRO 116 2HD PRO 116 -7.494 7.485 14.266 838 HD3 PRO 116 1HD PRO 116 -7.990 8.211 12.724 839 H ARG 117 H ARG 117 -2.511 6.776 12.368 840 HA ARG 117 HA ARG 117 -2.416 5.183 14.824 841 HB2 ARG 117 2HB ARG 117 -2.328 4.129 12.054 842 HB3 ARG 117 1HB ARG 117 -1.336 3.371 13.280 843 HG2 ARG 117 2HG ARG 117 -4.335 3.679 13.386 844 HG3 ARG 117 1HG ARG 117 -3.431 2.224 12.947 845 HD2 ARG 117 2HD ARG 117 -3.857 1.795 15.205 846 HD3 ARG 117 1HD ARG 117 -2.288 2.537 15.219 847 HE ARG 117 HE ARG 117 -4.087 4.613 15.504 848 HH11 ARG 117 1HH1 ARG 117 -3.099 1.738 17.372 849 HH12 ARG 117 2HH1 ARG 117 -3.482 2.426 18.868 850 HH21 ARG 117 1HH2 ARG 117 -4.623 5.533 17.607 851 HH22 ARG 117 2HH2 ARG 117 -4.362 4.614 19.005 852 H ASN 118 H ASN 118 -0.487 4.492 15.489 853 HA ASN 118 HA ASN 118 1.890 5.810 14.385 854 HB2 ASN 118 2HB ASN 118 1.613 6.006 16.795 855 HB3 ASN 118 1HB ASN 118 1.410 4.281 16.948 856 HD21 ASN 118 1HD2 ASN 118 3.157 2.941 17.032 857 HD22 ASN 118 2HD2 ASN 118 4.788 3.474 17.049 858 H ALA 119 H ALA 119 0.495 2.755 15.265 859 HA ALA 119 HA ALA 119 2.028 1.411 13.214 860 HB1 ALA 119 1HB ALA 119 3.454 1.178 15.202 861 HB2 ALA 119 2HB ALA 119 2.750 -0.371 14.742 862 HB3 ALA 119 3HB ALA 119 2.087 0.530 16.107 863 H GLN 120 H GLN 120 0.918 -0.332 12.429 864 HA GLN 120 HA GLN 120 -1.465 -1.255 13.841 865 HB2 GLN 120 2HB GLN 120 -1.795 0.810 12.130 866 HB3 GLN 120 1HB GLN 120 -1.830 -0.514 10.980 867 HG2 GLN 120 2HG GLN 120 -3.708 -0.090 13.311 868 HG3 GLN 120 1HG GLN 120 -4.081 0.118 11.607 869 HE21 GLN 120 1HE2 GLN 120 -4.394 -1.768 10.307 870 HE22 GLN 120 2HE2 GLN 120 -4.666 -3.286 11.075 871 H VAL 121 H VAL 121 -1.858 -3.378 13.308 872 HA VAL 121 HA VAL 121 -0.021 -4.636 11.394 873 HB VAL 121 HB VAL 121 -1.829 -5.980 13.447 874 HG11 VAL 121 1HG1 VAL 121 -1.269 -7.414 11.556 875 HG12 VAL 121 2HG1 VAL 121 -0.455 -7.982 13.015 876 HG13 VAL 121 3HG1 VAL 121 0.448 -7.089 11.794 877 HG21 VAL 121 3HG2 VAL 121 -0.125 -4.663 14.601 878 HG22 VAL 121 1HG2 VAL 121 1.138 -5.425 13.637 879 HG23 VAL 121 2HG2 VAL 121 0.204 -6.387 14.781 880 H MET 122 H MET 122 -0.881 -5.118 9.483 881 HA MET 122 HA MET 122 -3.672 -4.375 9.239 882 HB2 MET 122 2HB MET 122 -1.598 -4.690 7.106 883 HB3 MET 122 1HB MET 122 -3.267 -4.205 6.840 884 HG2 MET 122 2HG MET 122 -2.856 -2.283 8.379 885 HG3 MET 122 1HG MET 122 -1.151 -2.728 8.374 886 HE1 MET 122 3HE MET 122 -3.555 -1.272 4.757 887 HE2 MET 122 1HE MET 122 -4.164 -1.401 6.407 888 HE3 MET 122 2HE MET 122 -3.801 -2.859 5.475 889 H GLN 123 H GLN 123 -5.151 -5.382 8.074 890 HA GLN 123 HA GLN 123 -4.882 -8.292 7.846 891 HB2 GLN 123 2HB GLN 123 -7.352 -6.600 8.322 892 HB3 GLN 123 1HB GLN 123 -7.303 -8.353 8.214 893 HG2 GLN 123 2HG GLN 123 -6.013 -6.677 10.346 894 HG3 GLN 123 1HG GLN 123 -7.497 -7.617 10.505 895 HE21 GLN 123 1HE2 GLN 123 -5.027 -7.794 11.971 896 HE22 GLN 123 2HE2 GLN 123 -4.426 -9.401 11.764 897 H THR 124 H THR 124 -6.102 -9.191 6.015 898 HA THR 124 HA THR 124 -5.723 -7.621 3.704 899 HB THR 124 HB THR 124 -5.526 -10.066 3.615 900 HG1 THR 124 1HG THR 124 -7.695 -9.560 1.919 901 HG21 THR 124 3HG2 THR 124 -7.541 -11.504 3.563 902 HG22 THR 124 1HG2 THR 124 -8.529 -10.111 4.001 903 HG23 THR 124 2HG2 THR 124 -7.325 -10.729 5.132 904 H GLY 125 H GLY 125 -7.013 -6.240 2.722 905 HA2 GLY 125 2HA GLY 125 -9.116 -5.455 1.967 906 HA3 GLY 125 1HA GLY 125 -9.877 -6.275 3.325 907 H ASP 126 H ASP 126 -7.171 -4.908 4.540 908 HA ASP 126 HA ASP 126 -8.687 -2.759 5.716 909 HB2 ASP 126 2HB ASP 126 -7.199 -4.153 7.120 910 HB3 ASP 126 1HB ASP 126 -5.816 -3.590 6.191 911 H GLU 127 H GLU 127 -7.856 -0.564 5.781 912 HA GLU 127 HA GLU 127 -6.801 0.099 3.104 913 HB2 GLU 127 2HB GLU 127 -8.766 1.749 4.665 914 HB3 GLU 127 1HB GLU 127 -8.275 1.959 2.992 915 HG2 GLU 127 2HG GLU 127 -9.296 -0.251 2.483 916 HG3 GLU 127 1HG GLU 127 -9.901 -0.291 4.137 917 H ILE 128 H ILE 128 -5.408 1.749 2.882 918 HA ILE 128 HA ILE 128 -4.323 3.046 5.312 919 HB ILE 128 HB ILE 128 -2.867 2.655 2.682 920 HG12 ILE 128 2HG1 ILE 128 -2.591 0.923 5.148 921 HG13 ILE 128 1HG1 ILE 128 -3.398 0.451 3.654 922 HG21 ILE 128 1HG2 ILE 128 -1.882 3.314 5.463 923 HG22 ILE 128 2HG2 ILE 128 -2.048 4.442 4.124 924 HG23 ILE 128 3HG2 ILE 128 -0.866 3.134 4.030 925 HD11 ILE 128 3HD1 ILE 128 -0.480 1.135 3.933 926 HD12 ILE 128 1HD1 ILE 128 -1.291 0.646 2.444 927 HD13 ILE 128 2HD1 ILE 128 -1.162 -0.486 3.790 928 H GLN 129 H GLN 129 -4.483 5.239 5.218 929 HA GLN 129 HA GLN 129 -4.917 6.423 2.589 930 HB2 GLN 129 2HB GLN 129 -6.073 7.357 5.235 931 HB3 GLN 129 1HB GLN 129 -6.170 8.271 3.734 932 HG2 GLN 129 2HG GLN 129 -7.457 6.439 2.724 933 HG3 GLN 129 1HG GLN 129 -7.364 5.551 4.239 934 HE21 GLN 129 1HE2 GLN 129 -8.841 8.207 2.561 935 HE22 GLN 129 2HE2 GLN 129 -10.043 8.534 3.753 936 H ILE 130 H ILE 130 -3.406 7.677 1.942 937 HA ILE 130 HA ILE 130 -1.412 8.675 3.864 938 HB ILE 130 HB ILE 130 -1.052 7.731 1.002 939 HG12 ILE 130 2HG1 ILE 130 0.051 6.652 3.612 940 HG13 ILE 130 1HG1 ILE 130 -1.218 5.918 2.647 941 HG21 ILE 130 1HG2 ILE 130 1.014 8.961 2.829 942 HG22 ILE 130 2HG2 ILE 130 0.348 9.688 1.370 943 HG23 ILE 130 3HG2 ILE 130 1.343 8.236 1.254 944 HD11 ILE 130 3HD1 ILE 130 0.377 5.524 0.850 945 HD12 ILE 130 1HD1 ILE 130 0.904 4.780 2.360 946 HD13 ILE 130 2HD1 ILE 130 1.650 6.283 1.810 947 H GLY 131 H GLY 131 -1.625 10.812 4.060 948 HA2 GLY 131 2HA GLY 131 -1.707 13.024 3.459 949 HA3 GLY 131 1HA GLY 131 -1.559 12.531 1.772 950 H LYS 132 H LYS 132 -3.389 11.833 0.707 951 HA LYS 132 HA LYS 132 -5.948 11.948 1.977 952 HB2 LYS 132 2HB LYS 132 -6.982 13.592 0.514 953 HB3 LYS 132 1HB LYS 132 -5.677 14.288 1.458 954 HG2 LYS 132 2HG LYS 132 -4.216 14.218 -0.503 955 HG3 LYS 132 1HG LYS 132 -5.518 13.488 -1.446 956 HD2 LYS 132 2HD LYS 132 -5.467 15.849 -1.912 957 HD3 LYS 132 1HD LYS 132 -6.911 15.478 -0.968 958 HE2 LYS 132 2HE LYS 132 -5.605 16.183 1.082 959 HE3 LYS 132 1HE LYS 132 -4.361 16.765 -0.022 960 HZ1 LYS 132 3HZ LYS 132 -6.200 18.148 -1.049 961 HZ2 LYS 132 1HZ LYS 132 -5.765 18.556 0.548 962 HZ3 LYS 132 2HZ LYS 132 -7.132 17.636 0.272 963 H PHE 133 H PHE 133 -3.986 10.283 0.083 964 HA PHE 133 HA PHE 133 -6.167 9.520 -1.657 965 HB2 PHE 133 2HB PHE 133 -4.604 8.628 -3.264 966 HB3 PHE 133 1HB PHE 133 -4.183 10.294 -2.940 967 HD1 PHE 133 1HD PHE 133 -2.144 10.693 -1.429 968 HD2 PHE 133 2HD PHE 133 -3.076 6.922 -3.142 969 HE1 PHE 133 1HE PHE 133 0.192 9.983 -1.146 970 HE2 PHE 133 2HE PHE 133 -0.739 6.205 -2.855 971 HZ PHE 133 HZ PHE 133 0.900 7.754 -1.861 972 H ARG 134 H ARG 134 -6.092 7.053 -2.183 973 HA ARG 134 HA ARG 134 -5.757 5.866 0.477 974 HB2 ARG 134 2HB ARG 134 -7.942 5.053 0.566 975 HB3 ARG 134 1HB ARG 134 -8.112 6.691 -0.029 976 HG2 ARG 134 2HG ARG 134 -8.230 5.685 -2.359 977 HG3 ARG 134 1HG ARG 134 -8.356 4.123 -1.547 978 HD2 ARG 134 2HD ARG 134 -10.307 6.375 -1.650 979 HD3 ARG 134 1HD ARG 134 -10.575 4.650 -1.879 980 HE ARG 134 HE ARG 134 -10.549 6.138 0.569 981 HH11 ARG 134 1HH1 ARG 134 -10.746 2.892 -0.862 982 HH12 ARG 134 2HH1 ARG 134 -11.036 2.121 0.641 983 HH21 ARG 134 1HH2 ARG 134 -10.999 5.055 2.559 984 HH22 ARG 134 2HH2 ARG 134 -11.146 3.348 2.613 985 H LEU 135 H LEU 135 -5.152 3.836 0.606 986 HA LEU 135 HA LEU 135 -4.726 2.312 -1.860 987 HB2 LEU 135 2HB LEU 135 -2.996 2.296 0.635 988 HB3 LEU 135 1HB LEU 135 -2.720 1.370 -0.815 989 HG LEU 135 HG LEU 135 -2.333 3.607 -2.002 990 HD11 LEU 135 1HD1 LEU 135 -1.635 5.488 -0.616 991 HD12 LEU 135 2HD1 LEU 135 -2.130 4.610 0.831 992 HD13 LEU 135 3HD1 LEU 135 -3.335 5.091 -0.365 993 HD21 LEU 135 3HD2 LEU 135 -0.520 2.115 -1.455 994 HD22 LEU 135 1HD2 LEU 135 -0.456 2.751 0.190 995 HD23 LEU 135 2HD2 LEU 135 -0.036 3.784 -1.174 996 H VAL 136 H VAL 136 -5.335 0.182 -1.711 997 HA VAL 136 HA VAL 136 -6.551 -0.651 0.836 998 HB VAL 136 HB VAL 136 -7.211 -1.651 -1.964 999 HG11 VAL 136 1HG1 VAL 136 -7.578 -3.342 -0.240 1000 HG12 VAL 136 2HG1 VAL 136 -9.117 -2.775 -0.889 1001 HG13 VAL 136 3HG1 VAL 136 -8.558 -2.204 0.683 1002 HG21 VAL 136 3HG2 VAL 136 -9.332 -0.447 -1.734 1003 HG22 VAL 136 1HG2 VAL 136 -7.962 0.657 -1.651 1004 HG23 VAL 136 2HG2 VAL 136 -8.808 0.190 -0.175 1005 H PHE 137 H PHE 137 -5.608 -2.324 1.809 1006 HA PHE 137 HA PHE 137 -3.350 -3.586 0.458 1007 HB2 PHE 137 2HB PHE 137 -3.110 -2.341 2.626 1008 HB3 PHE 137 1HB PHE 137 -4.153 -3.540 3.364 1009 HD1 PHE 137 1HD PHE 137 -0.861 -2.853 1.957 1010 HD2 PHE 137 2HD PHE 137 -3.305 -5.730 3.918 1011 HE1 PHE 137 1HE PHE 137 1.140 -4.169 2.494 1012 HE2 PHE 137 2HE PHE 137 -1.307 -7.054 4.459 1013 HZ PHE 137 HZ PHE 137 0.916 -6.271 3.748 1014 H LEU 138 H LEU 138 -3.698 -5.588 -0.335 1015 HA LEU 138 HA LEU 138 -5.750 -7.269 0.932 1016 HB2 LEU 138 2HB LEU 138 -4.996 -7.068 -1.982 1017 HB3 LEU 138 1HB LEU 138 -6.102 -8.247 -1.314 1018 HG LEU 138 HG LEU 138 -6.556 -5.266 -1.285 1019 HD11 LEU 138 1HD1 LEU 138 -7.702 -7.406 -3.075 1020 HD12 LEU 138 2HD1 LEU 138 -6.586 -6.129 -3.563 1021 HD13 LEU 138 3HD1 LEU 138 -8.219 -5.722 -3.036 1022 HD21 LEU 138 3HD2 LEU 138 -8.853 -5.875 -0.680 1023 HD22 LEU 138 1HD2 LEU 138 -7.699 -6.438 0.526 1024 HD23 LEU 138 2HD2 LEU 138 -8.388 -7.576 -0.631 1025 H ALA 139 H ALA 139 -5.064 -9.225 1.521 1026 HA ALA 139 HA ALA 139 -2.306 -9.919 0.910 1027 HB1 ALA 139 1HB ALA 139 -4.298 -11.348 2.687 1028 HB2 ALA 139 2HB ALA 139 -3.123 -10.160 3.247 1029 HB3 ALA 139 3HB ALA 139 -2.572 -11.690 2.563 1030 H GLY 140 H GLY 140 -1.888 -11.230 -0.717 1031 HA2 GLY 140 2HA GLY 140 -4.231 -12.541 -1.902 1032 HA3 GLY 140 1HA GLY 140 -3.046 -11.672 -2.849 1033 HA PRO 141 HA PRO 141 -0.787 -15.140 -3.816 1034 HB2 PRO 141 2HB PRO 141 1.664 -14.467 -2.388 1035 HB3 PRO 141 1HB PRO 141 1.405 -14.713 -4.110 1036 HG2 PRO 141 2HG PRO 141 1.790 -12.245 -3.084 1037 HG3 PRO 141 1HG PRO 141 0.753 -12.537 -4.489 1038 HD2 PRO 141 2HD PRO 141 0.015 -11.969 -1.662 1039 HD3 PRO 141 1HD PRO 141 -0.818 -11.513 -3.159 1040 H ALA 142 H ALA 142 -0.548 -17.034 -3.311 1041 HA ALA 142 HA ALA 142 0.418 -18.233 -0.881 1042 HB1 ALA 142 1HB ALA 142 -1.709 -19.524 -0.549 1043 HB2 ALA 142 2HB ALA 142 -2.486 -18.498 -1.754 1044 HB3 ALA 142 3HB ALA 142 -1.931 -17.803 -0.231 1045 H GLU 143 H GLU 143 1.087 -17.907 -3.575 1046 HA GLU 143 HA GLU 143 0.486 -20.462 -4.827 1047 HB2 GLU 143 2HB GLU 143 -0.995 -18.701 -5.666 1048 HB3 GLU 143 1HB GLU 143 0.387 -17.684 -6.000 1049 HG2 GLU 143 2HG GLU 143 1.125 -19.349 -7.676 1050 HG3 GLU 143 1HG GLU 143 -0.379 -20.235 -7.384 Start of MODEL 14 1 H1 MET 1 1HT MET 1 16.602 -4.946 -5.809 2 H2 MET 1 2HT MET 1 16.766 -3.265 -5.763 3 H3 MET 1 3HT MET 1 15.517 -4.046 -4.928 4 HA MET 1 HA MET 1 18.352 -4.495 -4.360 5 HB2 MET 1 2HB MET 1 16.387 -2.669 -3.000 6 HB3 MET 1 1HB MET 1 17.787 -3.316 -2.157 7 HG2 MET 1 2HG MET 1 19.244 -2.294 -3.854 8 HG3 MET 1 1HG MET 1 17.831 -1.588 -4.625 9 HE1 MET 1 2HE MET 1 20.419 0.032 -3.633 10 HE2 MET 1 3HE MET 1 19.663 1.459 -2.928 11 HE3 MET 1 1HE MET 1 19.055 0.799 -4.448 12 H SER 2 H SER 2 18.334 -6.603 -4.086 13 HA SER 2 HA SER 2 16.299 -7.849 -2.428 14 HB2 SER 2 2HB SER 2 18.718 -9.074 -3.778 15 HB3 SER 2 1HB SER 2 17.276 -9.907 -3.197 16 HG SER 2 HG SER 2 16.742 -9.673 -5.215 17 H ASP 3 H ASP 3 18.666 -5.983 -1.739 18 HA ASP 3 HA ASP 3 20.566 -7.222 -0.124 19 HB2 ASP 3 2HB ASP 3 19.429 -4.430 0.085 20 HB3 ASP 3 1HB ASP 3 20.969 -4.984 0.732 21 H ASN 4 H ASN 4 20.737 -7.087 2.186 22 HA ASN 4 HA ASN 4 18.262 -7.768 3.479 23 HB2 ASN 4 2HB ASN 4 21.121 -7.835 4.380 24 HB3 ASN 4 1HB ASN 4 19.829 -7.942 5.562 25 HD21 ASN 4 1HD2 ASN 4 21.575 -9.561 3.101 26 HD22 ASN 4 2HD2 ASN 4 20.798 -11.099 3.281 27 H ASN 5 H ASN 5 18.309 -6.877 5.951 28 HA ASN 5 HA ASN 5 17.602 -4.120 5.500 29 HB2 ASN 5 2HB ASN 5 17.250 -5.805 7.985 30 HB3 ASN 5 1HB ASN 5 16.585 -4.195 7.731 31 HD21 ASN 5 1HD2 ASN 5 16.285 -7.555 7.036 32 HD22 ASN 5 2HD2 ASN 5 14.785 -7.447 6.214 33 H GLY 6 H GLY 6 19.447 -3.024 5.345 34 HA2 GLY 6 2HA GLY 6 21.445 -3.127 7.412 35 HA3 GLY 6 1HA GLY 6 21.414 -2.024 6.039 36 H THR 7 H THR 7 22.033 -0.470 7.771 37 HA THR 7 HA THR 7 19.699 0.314 9.320 38 HB THR 7 HB THR 7 21.235 1.897 10.513 39 HG1 THR 7 1HG THR 7 23.032 0.963 8.631 40 HG21 THR 7 3HG2 THR 7 20.701 -0.250 11.484 41 HG22 THR 7 1HG2 THR 7 22.376 0.166 11.824 42 HG23 THR 7 2HG2 THR 7 22.000 -1.017 10.570 43 HA PRO 8 HA PRO 8 19.068 3.711 6.389 44 HB2 PRO 8 2HB PRO 8 16.873 4.187 8.351 45 HB3 PRO 8 1HB PRO 8 16.770 4.089 6.591 46 HG2 PRO 8 2HG PRO 8 15.825 2.132 8.128 47 HG3 PRO 8 1HG PRO 8 16.643 1.776 6.596 48 HD2 PRO 8 2HD PRO 8 17.677 1.553 9.389 49 HD3 PRO 8 1HD PRO 8 17.938 0.485 8.000 50 H GLU 9 H GLU 9 19.988 5.695 6.826 51 HA GLU 9 HA GLU 9 21.094 5.911 9.442 52 HB2 GLU 9 2HB GLU 9 22.318 7.850 8.537 53 HB3 GLU 9 1HB GLU 9 22.545 6.387 7.591 54 HG2 GLU 9 2HG GLU 9 21.015 7.190 5.918 55 HG3 GLU 9 1HG GLU 9 20.656 8.619 6.881 56 HA PRO 10 HA PRO 10 18.044 8.656 10.988 57 HB2 PRO 10 2HB PRO 10 19.850 9.863 12.856 58 HB3 PRO 10 1HB PRO 10 18.583 8.672 13.155 59 HG2 PRO 10 2HG PRO 10 21.375 8.250 13.257 60 HG3 PRO 10 1HG PRO 10 20.111 7.019 13.339 61 HD2 PRO 10 2HD PRO 10 21.904 7.675 11.101 62 HD3 PRO 10 1HD PRO 10 20.878 6.262 11.376 63 H GLN 11 H GLN 11 17.893 9.940 9.217 64 HA GLN 11 HA GLN 11 19.312 12.505 9.386 65 HB2 GLN 11 2HB GLN 11 18.207 11.054 6.977 66 HB3 GLN 11 1HB GLN 11 18.610 12.759 6.961 67 HG2 GLN 11 2HG GLN 11 20.529 10.507 7.481 68 HG3 GLN 11 1HG GLN 11 20.361 11.370 5.951 69 HE21 GLN 11 1HE2 GLN 11 22.702 11.111 7.406 70 HE22 GLN 11 2HE2 GLN 11 23.200 12.675 7.956 71 H VAL 12 H VAL 12 17.989 14.310 9.129 72 HA VAL 12 HA VAL 12 15.153 13.674 9.406 73 HB VAL 12 HB VAL 12 16.517 16.263 10.224 74 HG11 VAL 12 1HG1 VAL 12 14.408 16.703 11.410 75 HG12 VAL 12 2HG1 VAL 12 13.755 15.191 10.790 76 HG13 VAL 12 3HG1 VAL 12 14.149 16.498 9.677 77 HG21 VAL 12 3HG2 VAL 12 17.308 14.439 11.644 78 HG22 VAL 12 1HG2 VAL 12 15.640 13.958 11.970 79 HG23 VAL 12 2HG2 VAL 12 16.234 15.514 12.546 80 H GLU 13 H GLU 13 13.968 14.175 7.784 81 HA GLU 13 HA GLU 13 15.013 16.026 5.809 82 HB2 GLU 13 2HB GLU 13 15.226 13.671 5.052 83 HB3 GLU 13 1HB GLU 13 13.517 13.424 5.305 84 HG2 GLU 13 2HG GLU 13 14.263 13.755 2.921 85 HG3 GLU 13 1HG GLU 13 12.952 14.800 3.466 86 H THR 14 H THR 14 13.068 16.712 4.346 87 HA THR 14 HA THR 14 11.572 18.327 6.067 88 HB THR 14 HB THR 14 11.140 17.825 3.130 89 HG1 THR 14 1HG THR 14 13.283 18.288 3.351 90 HG21 THR 14 3HG2 THR 14 10.704 20.279 4.854 91 HG22 THR 14 1HG2 THR 14 9.428 19.212 4.271 92 HG23 THR 14 2HG2 THR 14 10.371 20.162 3.128 93 H TPO 15 H TPO 15 10.064 17.418 7.279 94 HA TPO 15 HA TPO 15 7.902 15.881 6.051 95 HB TPO 15 HB TPO 15 8.367 16.501 8.994 96 HG21 TPO 15 1HG2 TPO 15 7.010 14.474 9.319 97 HG22 TPO 15 2HG2 TPO 15 6.881 14.273 7.572 98 HG23 TPO 15 3HG2 TPO 15 6.129 15.663 8.356 99 H SER 16 H SER 16 6.053 17.102 5.561 100 HA SER 16 HA SER 16 5.738 19.636 6.978 101 HB2 SER 16 2HB SER 16 6.538 19.974 4.647 102 HB3 SER 16 1HB SER 16 5.139 19.086 4.056 103 HG SER 16 HG SER 16 5.372 21.651 4.979 104 H VAL 17 H VAL 17 3.900 19.697 8.083 105 HA VAL 17 HA VAL 17 1.869 17.686 7.612 106 HB VAL 17 HB VAL 17 1.982 19.849 9.744 107 HG11 VAL 17 1HG1 VAL 17 0.305 17.350 9.569 108 HG12 VAL 17 2HG1 VAL 17 -0.268 19.006 9.380 109 HG13 VAL 17 3HG1 VAL 17 0.356 18.460 10.937 110 HG21 VAL 17 3HG2 VAL 17 2.804 16.950 9.919 111 HG22 VAL 17 1HG2 VAL 17 2.749 18.084 11.268 112 HG23 VAL 17 2HG2 VAL 17 3.891 18.336 9.945 113 H PHE 18 H PHE 18 0.117 18.080 6.405 114 HA PHE 18 HA PHE 18 -0.635 20.867 6.007 115 HB2 PHE 18 2HB PHE 18 -1.237 20.375 3.670 116 HB3 PHE 18 1HB PHE 18 0.463 20.094 3.991 117 HD1 PHE 18 1HD PHE 18 1.299 17.727 4.185 118 HD2 PHE 18 2HD PHE 18 -2.632 18.658 2.842 119 HE1 PHE 18 1HE PHE 18 1.112 15.494 3.175 120 HE2 PHE 18 2HE PHE 18 -2.824 16.424 1.838 121 HZ PHE 18 HZ PHE 18 -0.948 14.838 2.005 122 H ARG 19 H ARG 19 -2.642 21.367 6.397 123 HA ARG 19 HA ARG 19 -4.607 19.238 6.874 124 HB2 ARG 19 2HB ARG 19 -4.551 22.185 7.580 125 HB3 ARG 19 1HB ARG 19 -6.038 21.266 7.647 126 HG2 ARG 19 2HG ARG 19 -4.992 21.557 9.858 127 HG3 ARG 19 1HG ARG 19 -5.140 19.864 9.407 128 HD2 ARG 19 2HD ARG 19 -2.798 19.761 8.865 129 HD3 ARG 19 1HD ARG 19 -2.632 21.499 9.078 130 HE ARG 19 HE ARG 19 -2.728 21.253 11.344 131 HH11 ARG 19 1HH1 ARG 19 -3.191 18.044 9.842 132 HH12 ARG 19 2HH1 ARG 19 -2.675 17.202 11.220 133 HH21 ARG 19 1HH2 ARG 19 -1.968 20.026 13.192 134 HH22 ARG 19 2HH2 ARG 19 -1.970 18.314 13.131 135 H ALA 20 H ALA 20 -5.958 18.785 5.177 136 HA ALA 20 HA ALA 20 -6.536 20.918 3.299 137 HB1 ALA 20 1HB ALA 20 -4.341 20.067 2.626 138 HB2 ALA 20 2HB ALA 20 -5.566 19.821 1.391 139 HB3 ALA 20 3HB ALA 20 -5.043 18.468 2.398 140 H ASP 21 H ASP 21 -7.336 19.467 1.191 141 HA ASP 21 HA ASP 21 -9.997 18.993 1.637 142 HB2 ASP 21 2HB ASP 21 -10.018 18.130 -0.669 143 HB3 ASP 21 1HB ASP 21 -9.172 19.660 -0.497 144 H LEU 22 H LEU 22 -7.514 16.768 2.292 145 HA LEU 22 HA LEU 22 -8.873 14.396 1.577 146 HB2 LEU 22 2HB LEU 22 -7.341 13.127 2.941 147 HB3 LEU 22 1HB LEU 22 -6.473 14.317 2.003 148 HG LEU 22 HG LEU 22 -7.160 14.891 4.872 149 HD11 LEU 22 1HD1 LEU 22 -6.102 12.663 4.801 150 HD12 LEU 22 2HD1 LEU 22 -5.073 13.877 5.547 151 HD13 LEU 22 3HD1 LEU 22 -4.749 13.350 3.896 152 HD21 LEU 22 3HD2 LEU 22 -6.240 16.730 3.579 153 HD22 LEU 22 1HD2 LEU 22 -4.910 15.705 3.023 154 HD23 LEU 22 2HD2 LEU 22 -5.032 16.145 4.720 155 H LEU 23 H LEU 23 -9.278 16.520 4.300 156 HA LEU 23 HA LEU 23 -10.490 14.594 5.934 157 HB2 LEU 23 2HB LEU 23 -11.311 16.520 7.245 158 HB3 LEU 23 1HB LEU 23 -9.585 16.516 7.004 159 HG LEU 23 HG LEU 23 -10.049 18.250 5.145 160 HD11 LEU 23 1HD1 LEU 23 -12.445 17.967 4.961 161 HD12 LEU 23 2HD1 LEU 23 -12.050 19.616 5.451 162 HD13 LEU 23 3HD1 LEU 23 -12.652 18.462 6.640 163 HD21 LEU 23 3HD2 LEU 23 -10.508 18.935 8.042 164 HD22 LEU 23 1HD2 LEU 23 -10.060 20.080 6.778 165 HD23 LEU 23 2HD2 LEU 23 -8.948 18.792 7.233 166 H LYS 24 H LYS 24 -11.625 16.316 3.221 167 HA LYS 24 HA LYS 24 -14.426 15.790 3.855 168 HB2 LYS 24 2HB LYS 24 -13.396 17.885 2.598 169 HB3 LYS 24 1HB LYS 24 -13.388 16.814 1.214 170 HG2 LYS 24 2HG LYS 24 -15.837 17.649 2.778 171 HG3 LYS 24 1HG LYS 24 -15.340 18.306 1.228 172 HD2 LYS 24 2HD LYS 24 -15.673 16.090 0.211 173 HD3 LYS 24 1HD LYS 24 -16.177 15.456 1.780 174 HE2 LYS 24 2HE LYS 24 -18.004 17.152 1.804 175 HE3 LYS 24 1HE LYS 24 -17.529 17.603 0.167 176 HZ1 LYS 24 3HZ LYS 24 -18.462 14.940 1.031 177 HZ2 LYS 24 1HZ LYS 24 -18.017 15.331 -0.543 178 HZ3 LYS 24 2HZ LYS 24 -19.378 16.053 0.158 179 H GLU 25 H GLU 25 -11.844 14.904 1.659 180 HA GLU 25 HA GLU 25 -13.095 13.057 -0.036 181 HB2 GLU 25 2HB GLU 25 -10.741 14.230 -0.020 182 HB3 GLU 25 1HB GLU 25 -10.247 12.812 0.878 183 HG2 GLU 25 2HG GLU 25 -11.429 12.791 -1.893 184 HG3 GLU 25 1HG GLU 25 -9.715 12.738 -1.520 185 H MET 26 H MET 26 -11.898 12.836 3.195 186 HA MET 26 HA MET 26 -11.462 10.176 3.689 187 HB2 MET 26 2HB MET 26 -11.071 12.035 5.289 188 HB3 MET 26 1HB MET 26 -12.798 12.137 5.558 189 HG2 MET 26 2HG MET 26 -11.737 10.938 7.376 190 HG3 MET 26 1HG MET 26 -12.799 9.864 6.469 191 HE1 MET 26 3HE MET 26 -9.085 10.873 7.241 192 HE2 MET 26 1HE MET 26 -9.167 11.123 5.496 193 HE3 MET 26 2HE MET 26 -8.184 9.818 6.155 194 H GLU 27 H GLU 27 -14.554 11.733 3.166 195 HA GLU 27 HA GLU 27 -16.262 9.803 4.314 196 HB2 GLU 27 2HB GLU 27 -16.752 11.465 1.853 197 HB3 GLU 27 1HB GLU 27 -17.974 10.605 2.770 198 HG2 GLU 27 2HG GLU 27 -17.436 12.056 4.708 199 HG3 GLU 27 1HG GLU 27 -16.360 12.974 3.652 200 H SER 28 H SER 28 -14.641 9.969 1.205 201 HA SER 28 HA SER 28 -16.079 7.784 0.078 202 HB2 SER 28 2HB SER 28 -15.055 9.619 -1.276 203 HB3 SER 28 1HB SER 28 -13.462 9.043 -0.804 204 HG SER 28 HG SER 28 -14.703 8.361 -2.874 205 H SER 29 H SER 29 -13.024 8.248 1.778 206 HA SER 29 HA SER 29 -12.038 5.633 1.498 207 HB2 SER 29 2HB SER 29 -11.564 7.615 3.739 208 HB3 SER 29 1HB SER 29 -10.521 6.266 3.291 209 HG SER 29 HG SER 29 -9.825 8.292 2.498 210 H THR 30 H THR 30 -14.361 7.117 3.630 211 HA THR 30 HA THR 30 -14.367 4.946 5.518 212 HB THR 30 HB THR 30 -16.308 7.261 5.279 213 HG1 THR 30 1HG THR 30 -14.061 7.871 5.565 214 HG21 THR 30 3HG2 THR 30 -17.102 5.386 6.694 215 HG22 THR 30 1HG2 THR 30 -16.735 6.814 7.664 216 HG23 THR 30 2HG2 THR 30 -15.604 5.464 7.623 217 H GLY 31 H GLY 31 -15.173 3.062 4.851 218 HA2 GLY 31 2HA GLY 31 -17.909 2.861 4.136 219 HA3 GLY 31 1HA GLY 31 -16.816 2.450 2.812 220 H THR 32 H THR 32 -18.180 0.356 3.493 221 HA THR 32 HA THR 32 -17.066 -1.042 5.711 222 HB THR 32 HB THR 32 -18.673 -2.132 3.382 223 HG1 THR 32 1HG THR 32 -19.310 -0.640 5.622 224 HG21 THR 32 3HG2 THR 32 -18.257 -3.187 6.193 225 HG22 THR 32 1HG2 THR 32 -17.483 -3.832 4.746 226 HG23 THR 32 2HG2 THR 32 -19.231 -3.948 4.934 227 H ALA 33 H ALA 33 -15.224 -2.104 5.738 228 HA ALA 33 HA ALA 33 -13.794 -2.524 3.251 229 HB1 ALA 33 1HB ALA 33 -11.876 -3.012 4.730 230 HB2 ALA 33 2HB ALA 33 -12.920 -2.830 6.137 231 HB3 ALA 33 3HB ALA 33 -12.588 -1.441 5.102 232 HA PRO 34 HA PRO 34 -14.745 -6.891 3.117 233 HB2 PRO 34 2HB PRO 34 -11.829 -7.248 2.607 234 HB3 PRO 34 1HB PRO 34 -13.209 -7.853 1.686 235 HG2 PRO 34 2HG PRO 34 -11.802 -5.808 0.768 236 HG3 PRO 34 1HG PRO 34 -13.570 -5.813 0.633 237 HD2 PRO 34 2HD PRO 34 -11.813 -4.341 2.551 238 HD3 PRO 34 1HD PRO 34 -13.295 -3.804 1.731 239 H ALA 35 H ALA 35 -14.383 -8.809 4.278 240 HA ALA 35 HA ALA 35 -13.453 -8.322 6.957 241 HB1 ALA 35 1HB ALA 35 -15.609 -9.373 6.600 242 HB2 ALA 35 2HB ALA 35 -14.512 -10.464 7.457 243 HB3 ALA 35 3HB ALA 35 -14.829 -10.702 5.743 244 H SER 36 H SER 36 -11.916 -9.414 8.025 245 HA SER 36 HA SER 36 -10.178 -11.210 6.516 246 HB2 SER 36 2HB SER 36 -9.523 -9.317 8.796 247 HB3 SER 36 1HB SER 36 -8.402 -10.478 8.087 248 HG SER 36 HG SER 36 -9.557 -8.196 6.903 249 H THR 37 H THR 37 -9.444 -13.049 7.690 250 HA THR 37 HA THR 37 -11.157 -13.693 9.964 251 HB THR 37 HB THR 37 -10.870 -16.087 9.103 252 HG1 THR 37 1HG THR 37 -10.641 -15.718 6.582 253 HG21 THR 37 3HG2 THR 37 -12.411 -14.101 7.406 254 HG22 THR 37 1HG2 THR 37 -12.997 -14.833 8.900 255 HG23 THR 37 2HG2 THR 37 -12.710 -15.837 7.480 256 H GLY 38 H GLY 38 -8.196 -14.832 8.436 257 HA2 GLY 38 2HA GLY 38 -6.435 -14.210 10.459 258 HA3 GLY 38 1HA GLY 38 -7.082 -15.792 10.871 259 H ALA 39 H ALA 39 -7.144 -17.298 8.836 260 HA ALA 39 HA ALA 39 -4.413 -17.536 8.081 261 HB1 ALA 39 1HB ALA 39 -6.763 -19.225 7.229 262 HB2 ALA 39 2HB ALA 39 -5.760 -19.517 8.647 263 HB3 ALA 39 3HB ALA 39 -5.064 -19.644 7.031 264 H GLU 40 H GLU 40 -7.333 -16.568 6.579 265 HA GLU 40 HA GLU 40 -6.381 -16.492 3.880 266 HB2 GLU 40 2HB GLU 40 -8.717 -15.078 5.150 267 HB3 GLU 40 1HB GLU 40 -8.460 -15.302 3.424 268 HG2 GLU 40 2HG GLU 40 -8.583 -17.676 3.699 269 HG3 GLU 40 1HG GLU 40 -8.801 -17.504 5.425 270 H ASN 41 H ASN 41 -5.727 -14.679 6.468 271 HA ASN 41 HA ASN 41 -5.490 -12.059 5.222 272 HB2 ASN 41 2HB ASN 41 -4.462 -13.041 7.895 273 HB3 ASN 41 1HB ASN 41 -4.343 -11.385 7.328 274 HD21 ASN 41 1HD2 ASN 41 -5.467 -10.678 9.107 275 HD22 ASN 41 2HD2 ASN 41 -7.164 -10.909 9.274 276 H LEU 42 H LEU 42 -3.352 -14.670 6.191 277 HA LEU 42 HA LEU 42 -1.262 -13.494 4.548 278 HB2 LEU 42 2HB LEU 42 -0.802 -14.674 7.307 279 HB3 LEU 42 1HB LEU 42 0.456 -14.340 6.148 280 HG LEU 42 HG LEU 42 0.598 -12.654 7.711 281 HD11 LEU 42 1HD1 LEU 42 0.825 -11.775 5.531 282 HD12 LEU 42 2HD1 LEU 42 0.055 -10.580 6.574 283 HD13 LEU 42 3HD1 LEU 42 -0.912 -11.490 5.415 284 HD21 LEU 42 3HD2 LEU 42 -1.268 -11.230 8.474 285 HD22 LEU 42 1HD2 LEU 42 -1.489 -12.930 8.897 286 HD23 LEU 42 2HD2 LEU 42 -2.379 -12.237 7.544 287 HA PRO 43 HA PRO 43 -1.754 -17.866 3.495 288 HB2 PRO 43 2HB PRO 43 -2.336 -17.358 0.830 289 HB3 PRO 43 1HB PRO 43 -3.540 -17.567 2.102 290 HG2 PRO 43 2HG PRO 43 -2.859 -15.155 0.668 291 HG3 PRO 43 1HG PRO 43 -4.116 -15.362 1.909 292 HD2 PRO 43 2HD PRO 43 -1.401 -14.245 2.068 293 HD3 PRO 43 1HD PRO 43 -2.789 -14.015 3.153 294 H ALA 44 H ALA 44 -0.619 -15.796 0.844 295 HA ALA 44 HA ALA 44 1.546 -17.527 0.184 296 HB1 ALA 44 1HB ALA 44 2.088 -15.832 -1.489 297 HB2 ALA 44 2HB ALA 44 0.924 -14.730 -0.753 298 HB3 ALA 44 3HB ALA 44 0.367 -16.225 -1.507 299 H GLY 45 H GLY 45 1.147 -15.034 2.416 300 HA2 GLY 45 2HA GLY 45 2.703 -14.259 4.005 301 HA3 GLY 45 1HA GLY 45 3.986 -15.043 3.085 302 H SER 46 H SER 46 2.413 -13.554 0.817 303 HA SER 46 HA SER 46 3.804 -10.999 1.089 304 HB2 SER 46 2HB SER 46 3.199 -12.524 -1.465 305 HB3 SER 46 1HB SER 46 4.163 -11.057 -1.308 306 HG SER 46 HG SER 46 5.487 -12.483 0.200 307 H ALA 47 H ALA 47 2.574 -9.236 -0.017 308 HA ALA 47 HA ALA 47 -0.212 -9.819 -0.557 309 HB1 ALA 47 1HB ALA 47 0.656 -7.893 1.592 310 HB2 ALA 47 2HB ALA 47 -0.150 -9.441 1.853 311 HB3 ALA 47 3HB ALA 47 -0.997 -8.131 1.027 312 H LEU 48 H LEU 48 -1.287 -7.934 -1.525 313 HA LEU 48 HA LEU 48 0.655 -6.099 -2.628 314 HB2 LEU 48 2HB LEU 48 -0.353 -6.188 -4.851 315 HB3 LEU 48 1HB LEU 48 0.289 -7.732 -4.385 316 HG LEU 48 HG LEU 48 -1.636 -8.149 -5.638 317 HD11 LEU 48 1HD1 LEU 48 -2.468 -8.551 -2.809 318 HD12 LEU 48 2HD1 LEU 48 -1.523 -9.636 -3.827 319 HD13 LEU 48 3HD1 LEU 48 -3.209 -9.300 -4.223 320 HD21 LEU 48 3HD2 LEU 48 -2.708 -5.994 -5.650 321 HD22 LEU 48 1HD2 LEU 48 -3.181 -6.180 -3.961 322 HD23 LEU 48 2HD2 LEU 48 -3.882 -7.226 -5.193 323 H LEU 49 H LEU 49 0.020 -4.078 -2.925 324 HA LEU 49 HA LEU 49 -2.657 -3.531 -1.954 325 HB2 LEU 49 2HB LEU 49 -1.753 -1.241 -1.282 326 HB3 LEU 49 1HB LEU 49 -1.337 -2.612 -0.289 327 HG LEU 49 HG LEU 49 0.910 -2.641 -1.401 328 HD11 LEU 49 1HD1 LEU 49 0.449 -1.461 -3.442 329 HD12 LEU 49 2HD1 LEU 49 1.672 -0.581 -2.520 330 HD13 LEU 49 3HD1 LEU 49 0.002 -0.014 -2.549 331 HD21 LEU 49 3HD2 LEU 49 0.589 -1.684 0.784 332 HD22 LEU 49 1HD2 LEU 49 0.115 -0.145 0.067 333 HD23 LEU 49 2HD2 LEU 49 1.765 -0.738 -0.130 334 H VAL 50 H VAL 50 -3.920 -2.136 -2.941 335 HA VAL 50 HA VAL 50 -3.055 -1.294 -5.639 336 HB VAL 50 HB VAL 50 -5.892 -1.831 -4.714 337 HG11 VAL 50 1HG1 VAL 50 -6.445 -1.811 -7.099 338 HG12 VAL 50 2HG1 VAL 50 -4.767 -1.417 -7.475 339 HG13 VAL 50 3HG1 VAL 50 -5.755 -0.277 -6.561 340 HG21 VAL 50 3HG2 VAL 50 -5.823 -3.917 -6.002 341 HG22 VAL 50 1HG2 VAL 50 -4.647 -3.929 -4.690 342 HG23 VAL 50 2HG2 VAL 50 -4.116 -3.650 -6.348 343 H VAL 51 H VAL 51 -3.079 0.858 -5.939 344 HA VAL 51 HA VAL 51 -4.026 2.584 -3.786 345 HB VAL 51 HB VAL 51 -3.015 3.428 -6.515 346 HG11 VAL 51 1HG1 VAL 51 -3.020 4.836 -3.848 347 HG12 VAL 51 2HG1 VAL 51 -4.092 5.172 -5.205 348 HG13 VAL 51 3HG1 VAL 51 -2.362 5.483 -5.350 349 HG21 VAL 51 3HG2 VAL 51 -0.764 3.616 -5.516 350 HG22 VAL 51 1HG2 VAL 51 -1.340 1.951 -5.567 351 HG23 VAL 51 2HG2 VAL 51 -1.364 2.844 -4.050 352 H LYS 52 H LYS 52 -5.953 3.259 -3.581 353 HA LYS 52 HA LYS 52 -7.943 2.529 -5.558 354 HB2 LYS 52 2HB LYS 52 -8.203 2.197 -3.086 355 HB3 LYS 52 1HB LYS 52 -8.261 3.936 -2.902 356 HG2 LYS 52 2HG LYS 52 -10.484 3.104 -2.805 357 HG3 LYS 52 1HG LYS 52 -10.297 3.948 -4.344 358 HD2 LYS 52 2HD LYS 52 -9.984 1.823 -5.489 359 HD3 LYS 52 1HD LYS 52 -10.100 0.960 -3.953 360 HE2 LYS 52 2HE LYS 52 -12.389 1.826 -3.681 361 HE3 LYS 52 1HE LYS 52 -12.258 2.617 -5.252 362 HZ1 LYS 52 3HZ LYS 52 -11.903 0.370 -6.224 363 HZ2 LYS 52 1HZ LYS 52 -13.412 0.570 -5.502 364 HZ3 LYS 52 2HZ LYS 52 -12.207 -0.300 -4.719 365 H ARG 53 H ARG 53 -6.395 5.350 -4.320 366 HA ARG 53 HA ARG 53 -7.510 7.021 -6.377 367 HB2 ARG 53 2HB ARG 53 -9.278 7.136 -4.643 368 HB3 ARG 53 1HB ARG 53 -8.086 7.571 -3.439 369 HG2 ARG 53 2HG ARG 53 -9.460 9.484 -4.181 370 HG3 ARG 53 1HG ARG 53 -7.743 9.720 -4.490 371 HD2 ARG 53 2HD ARG 53 -9.158 10.476 -6.361 372 HD3 ARG 53 1HD ARG 53 -8.044 9.194 -6.822 373 HE ARG 53 HE ARG 53 -10.565 8.126 -6.102 374 HH11 ARG 53 1HH1 ARG 53 -9.018 9.960 -8.732 375 HH12 ARG 53 2HH1 ARG 53 -9.976 9.271 -9.952 376 HH21 ARG 53 1HH2 ARG 53 -11.859 7.206 -7.766 377 HH22 ARG 53 2HH2 ARG 53 -11.650 7.659 -9.409 378 H GLY 54 H GLY 54 -6.180 8.920 -6.641 379 HA2 GLY 54 2HA GLY 54 -4.434 10.269 -5.530 380 HA3 GLY 54 1HA GLY 54 -3.673 8.722 -5.149 381 HA PRO 55 HA PRO 55 -2.202 10.268 -9.358 382 HB2 PRO 55 2HB PRO 55 0.432 9.626 -8.163 383 HB3 PRO 55 1HB PRO 55 -0.063 11.065 -9.063 384 HG2 PRO 55 2HG PRO 55 0.345 11.177 -6.436 385 HG3 PRO 55 1HG PRO 55 -0.985 12.071 -7.193 386 HD2 PRO 55 2HD PRO 55 -1.066 9.484 -5.681 387 HD3 PRO 55 1HD PRO 55 -2.169 10.874 -5.589 388 H ASN 56 H ASN 56 -1.054 7.712 -7.244 389 HA ASN 56 HA ASN 56 -0.273 5.956 -9.398 390 HB2 ASN 56 2HB ASN 56 -0.385 5.498 -6.411 391 HB3 ASN 56 1HB ASN 56 0.480 4.514 -7.586 392 HD21 ASN 56 1HD2 ASN 56 2.454 5.263 -8.370 393 HD22 ASN 56 2HD2 ASN 56 3.249 6.618 -7.670 394 H ALA 57 H ALA 57 -3.247 6.756 -8.576 395 HA ALA 57 HA ALA 57 -4.545 4.490 -7.550 396 HB1 ALA 57 1HB ALA 57 -5.608 6.702 -7.710 397 HB2 ALA 57 2HB ALA 57 -6.603 5.432 -8.423 398 HB3 ALA 57 3HB ALA 57 -5.682 6.520 -9.462 399 H GLY 58 H GLY 58 -5.115 2.625 -8.371 400 HA2 GLY 58 2HA GLY 58 -5.924 1.242 -10.129 401 HA3 GLY 58 1HA GLY 58 -5.089 2.275 -11.284 402 H ALA 59 H ALA 59 -2.686 2.285 -9.477 403 HA ALA 59 HA ALA 59 -1.520 -0.071 -10.651 404 HB1 ALA 59 1HB ALA 59 -0.297 2.053 -10.718 405 HB2 ALA 59 2HB ALA 59 0.604 0.824 -9.830 406 HB3 ALA 59 3HB ALA 59 -0.260 2.087 -8.956 407 H ARG 60 H ARG 60 -0.595 -1.754 -9.533 408 HA ARG 60 HA ARG 60 -1.236 -1.869 -6.692 409 HB2 ARG 60 2HB ARG 60 -1.757 -4.266 -6.914 410 HB3 ARG 60 1HB ARG 60 -2.825 -3.286 -7.903 411 HG2 ARG 60 2HG ARG 60 -1.587 -3.892 -9.897 412 HG3 ARG 60 1HG ARG 60 -0.440 -4.813 -8.924 413 HD2 ARG 60 2HD ARG 60 -2.282 -6.278 -8.188 414 HD3 ARG 60 1HD ARG 60 -3.388 -5.371 -9.220 415 HE ARG 60 HE ARG 60 -1.577 -6.083 -10.986 416 HH11 ARG 60 1HH1 ARG 60 -3.192 -8.079 -8.541 417 HH12 ARG 60 2HH1 ARG 60 -2.926 -9.543 -9.368 418 HH21 ARG 60 1HH2 ARG 60 -1.284 -8.025 -12.132 419 HH22 ARG 60 2HH2 ARG 60 -1.832 -9.516 -11.519 420 H PHE 61 H PHE 61 0.327 -2.667 -5.412 421 HA PHE 61 HA PHE 61 2.828 -3.455 -6.757 422 HB2 PHE 61 2HB PHE 61 2.582 -1.758 -4.261 423 HB3 PHE 61 1HB PHE 61 4.082 -2.293 -4.999 424 HD1 PHE 61 1HD PHE 61 4.751 -1.372 -7.221 425 HD2 PHE 61 2HD PHE 61 1.422 0.155 -5.053 426 HE1 PHE 61 1HE PHE 61 4.800 0.671 -8.586 427 HE2 PHE 61 2HE PHE 61 1.465 2.199 -6.417 428 HZ PHE 61 HZ PHE 61 3.155 2.461 -8.187 429 H LEU 62 H LEU 62 3.706 -5.291 -6.049 430 HA LEU 62 HA LEU 62 2.382 -6.710 -3.883 431 HB2 LEU 62 2HB LEU 62 2.836 -7.748 -6.148 432 HB3 LEU 62 1HB LEU 62 4.539 -7.605 -5.821 433 HG LEU 62 HG LEU 62 3.684 -9.902 -5.615 434 HD11 LEU 62 1HD1 LEU 62 5.664 -9.379 -4.381 435 HD12 LEU 62 2HD1 LEU 62 4.667 -10.520 -3.483 436 HD13 LEU 62 3HD1 LEU 62 4.701 -8.821 -3.012 437 HD21 LEU 62 3HD2 LEU 62 2.285 -10.554 -3.712 438 HD22 LEU 62 1HD2 LEU 62 1.447 -9.479 -4.829 439 HD23 LEU 62 2HD2 LEU 62 2.070 -8.854 -3.298 440 H LEU 63 H LEU 63 3.300 -6.873 -1.928 441 HA LEU 63 HA LEU 63 5.999 -5.789 -1.590 442 HB2 LEU 63 2HB LEU 63 3.845 -6.228 0.453 443 HB3 LEU 63 1HB LEU 63 5.344 -5.347 0.708 444 HG LEU 63 HG LEU 63 2.907 -4.535 -0.849 445 HD11 LEU 63 1HD1 LEU 63 2.785 -4.132 1.505 446 HD12 LEU 63 2HD1 LEU 63 2.924 -2.605 0.632 447 HD13 LEU 63 3HD1 LEU 63 4.325 -3.271 1.471 448 HD21 LEU 63 3HD2 LEU 63 4.709 -3.876 -2.260 449 HD22 LEU 63 1HD2 LEU 63 5.632 -3.241 -0.899 450 HD23 LEU 63 2HD2 LEU 63 4.149 -2.438 -1.408 451 H ASP 64 H ASP 64 7.539 -7.245 -1.089 452 HA ASP 64 HA ASP 64 6.671 -9.754 0.170 453 HB2 ASP 64 2HB ASP 64 7.926 -11.147 -1.335 454 HB3 ASP 64 1HB ASP 64 6.817 -10.151 -2.262 455 H GLN 65 H GLN 65 8.692 -7.224 0.573 456 HA GLN 65 HA GLN 65 10.832 -8.960 1.592 457 HB2 GLN 65 2HB GLN 65 12.328 -6.991 1.587 458 HB3 GLN 65 1HB GLN 65 11.752 -7.369 -0.016 459 HG2 GLN 65 2HG GLN 65 10.194 -5.525 0.093 460 HG3 GLN 65 1HG GLN 65 10.686 -5.196 1.752 461 HE21 GLN 65 1HE2 GLN 65 13.531 -5.753 1.194 462 HE22 GLN 65 2HE2 GLN 65 14.095 -4.383 0.334 463 HA PRO 66 HA PRO 66 9.978 -8.263 5.811 464 HB2 PRO 66 2HB PRO 66 12.479 -7.365 6.701 465 HB3 PRO 66 1HB PRO 66 11.916 -9.036 6.634 466 HG2 PRO 66 2HG PRO 66 13.587 -7.513 4.697 467 HG3 PRO 66 1HG PRO 66 13.699 -9.215 5.176 468 HD2 PRO 66 2HD PRO 66 12.669 -8.556 2.834 469 HD3 PRO 66 1HD PRO 66 11.920 -9.833 3.808 470 H THR 67 H THR 67 11.344 -5.580 4.036 471 HA THR 67 HA THR 67 9.964 -3.754 5.854 472 HB THR 67 HB THR 67 12.835 -3.397 4.944 473 HG1 THR 67 1HG THR 67 13.306 -4.389 6.679 474 HG21 THR 67 3HG2 THR 67 11.117 -1.678 6.749 475 HG22 THR 67 1HG2 THR 67 11.624 -1.265 5.113 476 HG23 THR 67 2HG2 THR 67 12.823 -1.413 6.400 477 H THR 68 H THR 68 8.663 -2.537 4.549 478 HA THR 68 HA THR 68 9.656 -1.776 1.886 479 HB THR 68 HB THR 68 6.836 -2.476 2.719 480 HG1 THR 68 1HG THR 68 8.832 -4.028 2.080 481 HG21 THR 68 3HG2 THR 68 7.815 -2.048 -0.101 482 HG22 THR 68 1HG2 THR 68 7.167 -0.718 0.885 483 HG23 THR 68 2HG2 THR 68 6.162 -2.093 0.527 484 H THR 69 H THR 69 10.008 0.436 2.093 485 HA THR 69 HA THR 69 8.248 1.927 3.857 486 HB THR 69 HB THR 69 10.546 3.065 2.263 487 HG1 THR 69 1HG THR 69 10.826 2.065 4.930 488 HG21 THR 69 3HG2 THR 69 9.090 4.662 3.415 489 HG22 THR 69 1HG2 THR 69 10.663 4.585 4.204 490 HG23 THR 69 2HG2 THR 69 9.277 3.766 4.923 491 H ALA 70 H ALA 70 6.875 3.607 3.155 492 HA ALA 70 HA ALA 70 6.404 3.716 0.264 493 HB1 ALA 70 1HB ALA 70 4.378 3.833 2.485 494 HB2 ALA 70 2HB ALA 70 4.682 2.447 1.435 495 HB3 ALA 70 3HB ALA 70 4.039 3.944 0.756 496 H GLY 71 H GLY 71 6.286 5.641 -0.629 497 HA2 GLY 71 2HA GLY 71 5.175 7.926 -0.046 498 HA3 GLY 71 1HA GLY 71 6.581 8.017 1.010 499 H ARG 72 H ARG 72 7.624 9.585 0.060 500 HA ARG 72 HA ARG 72 8.281 9.640 -2.748 501 HB2 ARG 72 2HB ARG 72 8.529 11.582 -0.482 502 HB3 ARG 72 1HB ARG 72 9.566 11.772 -1.882 503 HG2 ARG 72 2HG ARG 72 6.563 11.630 -2.085 504 HG3 ARG 72 1HG ARG 72 7.443 13.145 -1.852 505 HD2 ARG 72 2HD ARG 72 8.769 12.607 -3.903 506 HD3 ARG 72 1HD ARG 72 7.712 11.226 -4.170 507 HE ARG 72 HE ARG 72 6.168 12.649 -5.053 508 HH11 ARG 72 1HH1 ARG 72 8.485 14.678 -3.230 509 HH12 ARG 72 2HH1 ARG 72 7.772 16.129 -3.754 510 HH21 ARG 72 1HH2 ARG 72 5.312 14.573 -5.748 511 HH22 ARG 72 2HH2 ARG 72 5.877 16.099 -5.186 512 H HIS 73 H HIS 73 10.435 9.873 -3.463 513 HA HIS 73 HA HIS 73 12.641 9.602 -3.537 514 HB2 HIS 73 2HB HIS 73 12.580 8.535 -0.686 515 HB3 HIS 73 1HB HIS 73 14.017 8.727 -1.668 516 HD1 HIS 73 1HD HIS 73 14.726 10.129 0.542 517 HD2 HIS 73 2HD HIS 73 11.837 11.849 -1.901 518 HE1 HIS 73 1HE HIS 73 14.612 12.551 1.202 519 HA PRO 74 HA PRO 74 12.346 5.504 -5.125 520 HB2 PRO 74 2HB PRO 74 14.892 5.328 -6.134 521 HB3 PRO 74 1HB PRO 74 13.563 6.156 -6.952 522 HG2 PRO 74 2HG PRO 74 15.772 7.288 -5.296 523 HG3 PRO 74 1HG PRO 74 15.059 7.917 -6.790 524 HD2 PRO 74 2HD PRO 74 14.442 8.928 -4.362 525 HD3 PRO 74 1HD PRO 74 13.261 8.859 -5.685 526 H GLU 75 H GLU 75 14.293 6.438 -2.530 527 HA GLU 75 HA GLU 75 15.574 3.925 -2.020 528 HB2 GLU 75 2HB GLU 75 16.000 4.806 0.255 529 HB3 GLU 75 1HB GLU 75 16.448 5.981 -0.968 530 HG2 GLU 75 2HG GLU 75 14.322 7.156 -0.571 531 HG3 GLU 75 1HG GLU 75 13.930 5.992 0.678 532 H SER 76 H SER 76 12.432 5.259 -1.493 533 HA SER 76 HA SER 76 11.551 3.227 0.311 534 HB2 SER 76 2HB SER 76 10.003 5.198 -1.413 535 HB3 SER 76 1HB SER 76 9.356 4.280 -0.048 536 HG SER 76 HG SER 76 10.465 6.655 0.044 537 H ASP 77 H ASP 77 10.297 1.402 -0.320 538 HA ASP 77 HA ASP 77 11.010 0.354 -2.871 539 HB2 ASP 77 2HB ASP 77 10.824 -1.175 -1.008 540 HB3 ASP 77 1HB ASP 77 9.125 -0.756 -0.795 541 H ILE 78 H ILE 78 7.955 1.472 -1.511 542 HA ILE 78 HA ILE 78 7.013 1.456 -4.251 543 HB ILE 78 HB ILE 78 4.673 1.617 -3.322 544 HG12 ILE 78 2HG1 ILE 78 6.038 0.785 -0.744 545 HG13 ILE 78 1HG1 ILE 78 5.267 2.341 -1.025 546 HG21 ILE 78 1HG2 ILE 78 6.293 -0.845 -2.703 547 HG22 ILE 78 2HG2 ILE 78 5.560 -0.425 -4.251 548 HG23 ILE 78 3HG2 ILE 78 4.536 -0.793 -2.864 549 HD11 ILE 78 3HD1 ILE 78 3.858 0.838 0.283 550 HD12 ILE 78 1HD1 ILE 78 3.885 -0.328 -1.037 551 HD13 ILE 78 2HD1 ILE 78 3.113 1.243 -1.264 552 H PHE 79 H PHE 79 7.177 3.205 -5.221 553 HA PHE 79 HA PHE 79 7.358 5.690 -3.788 554 HB2 PHE 79 2HB PHE 79 9.024 5.187 -5.503 555 HB3 PHE 79 1HB PHE 79 7.756 5.028 -6.711 556 HD1 PHE 79 2HD PHE 79 9.190 7.451 -4.294 557 HD2 PHE 79 1HD PHE 79 7.188 6.860 -7.988 558 HE1 PHE 79 2HE PHE 79 9.377 9.841 -4.787 559 HE2 PHE 79 1HE PHE 79 7.377 9.257 -8.481 560 HZ PHE 79 HZ PHE 79 8.477 10.745 -6.869 561 H LEU 80 H LEU 80 5.708 6.813 -3.426 562 HA LEU 80 HA LEU 80 3.312 6.844 -5.199 563 HB2 LEU 80 2HB LEU 80 3.529 7.470 -2.243 564 HB3 LEU 80 1HB LEU 80 2.069 7.360 -3.204 565 HG LEU 80 HG LEU 80 3.853 5.022 -2.533 566 HD11 LEU 80 1HD1 LEU 80 1.209 5.845 -1.345 567 HD12 LEU 80 2HD1 LEU 80 2.781 5.934 -0.549 568 HD13 LEU 80 3HD1 LEU 80 2.099 4.366 -0.978 569 HD21 LEU 80 3HD2 LEU 80 1.982 3.670 -3.360 570 HD22 LEU 80 1HD2 LEU 80 2.598 4.734 -4.623 571 HD23 LEU 80 2HD2 LEU 80 1.101 5.136 -3.782 572 H ASP 81 H ASP 81 2.700 8.904 -5.816 573 HA ASP 81 HA ASP 81 4.694 10.926 -5.136 574 HB2 ASP 81 2HB ASP 81 4.144 10.647 -7.537 575 HB3 ASP 81 1HB ASP 81 2.488 11.150 -7.197 576 H ASP 82 H ASP 82 4.374 12.283 -3.595 577 HA ASP 82 HA ASP 82 1.671 12.586 -2.540 578 HB2 ASP 82 2HB ASP 82 3.431 11.744 -1.001 579 HB3 ASP 82 1HB ASP 82 4.347 13.222 -1.260 580 H VAL 83 H VAL 83 1.419 14.802 -1.429 581 HA VAL 83 HA VAL 83 1.427 16.782 -3.512 582 HB VAL 83 HB VAL 83 0.528 17.002 -0.628 583 HG11 VAL 83 1HG1 VAL 83 -0.220 18.623 -3.049 584 HG12 VAL 83 2HG1 VAL 83 0.778 19.158 -1.697 585 HG13 VAL 83 3HG1 VAL 83 -0.931 18.789 -1.447 586 HG21 VAL 83 3HG2 VAL 83 -1.729 16.486 -1.445 587 HG22 VAL 83 1HG2 VAL 83 -0.610 15.147 -1.703 588 HG23 VAL 83 2HG2 VAL 83 -1.067 16.190 -3.050 589 H THR 84 H THR 84 3.222 16.063 -0.590 590 HA THR 84 HA THR 84 4.945 18.329 -1.176 591 HB THR 84 HB THR 84 3.538 18.970 0.759 592 HG1 THR 84 1HG THR 84 5.193 19.887 1.588 593 HG21 THR 84 3HG2 THR 84 3.684 17.743 2.900 594 HG22 THR 84 1HG2 THR 84 4.645 16.504 2.094 595 HG23 THR 84 2HG2 THR 84 2.968 16.761 1.617 596 H VAL 85 H VAL 85 6.779 17.667 0.892 597 HA VAL 85 HA VAL 85 7.993 15.376 -0.408 598 HB VAL 85 HB VAL 85 9.119 17.042 1.869 599 HG11 VAL 85 1HG1 VAL 85 10.160 14.843 1.708 600 HG12 VAL 85 2HG1 VAL 85 11.292 16.103 1.219 601 HG13 VAL 85 3HG1 VAL 85 10.494 15.111 -0.003 602 HG21 VAL 85 3HG2 VAL 85 8.756 18.438 -0.099 603 HG22 VAL 85 1HG2 VAL 85 9.629 17.278 -1.101 604 HG23 VAL 85 2HG2 VAL 85 10.481 18.170 0.155 605 H SER 86 H SER 86 6.846 13.662 0.221 606 HA SER 86 HA SER 86 6.583 13.068 3.053 607 HB2 SER 86 2HB SER 86 4.694 12.669 1.375 608 HB3 SER 86 1HB SER 86 5.701 11.423 0.661 609 HG SER 86 HG SER 86 4.050 11.166 2.629 610 H ARG 87 H ARG 87 8.875 12.965 3.304 611 HA ARG 87 HA ARG 87 10.558 11.424 1.720 612 HB2 ARG 87 2HB ARG 87 12.255 11.608 3.532 613 HB3 ARG 87 1HB ARG 87 11.506 13.133 3.107 614 HG2 ARG 87 2HG ARG 87 11.487 13.347 5.388 615 HG3 ARG 87 1HG ARG 87 9.960 12.506 5.181 616 HD2 ARG 87 2HD ARG 87 11.102 10.358 5.609 617 HD3 ARG 87 1HD ARG 87 12.603 11.235 5.895 618 HE ARG 87 HE ARG 87 10.764 12.366 7.570 619 HH11 ARG 87 1HH1 ARG 87 12.490 9.292 7.288 620 HH12 ARG 87 2HH1 ARG 87 12.021 8.708 8.822 621 HH21 ARG 87 1HH2 ARG 87 10.150 11.518 9.808 622 HH22 ARG 87 2HH2 ARG 87 10.640 9.969 10.221 623 H ARG 88 H ARG 88 8.916 10.430 4.655 624 HA ARG 88 HA ARG 88 8.751 7.727 3.832 625 HB2 ARG 88 2HB ARG 88 10.499 8.371 6.259 626 HB3 ARG 88 1HB ARG 88 9.799 6.795 5.957 627 HG2 ARG 88 2HG ARG 88 11.117 6.552 3.957 628 HG3 ARG 88 1HG ARG 88 11.747 8.182 4.143 629 HD2 ARG 88 2HD ARG 88 13.413 6.633 4.925 630 HD3 ARG 88 1HD ARG 88 12.736 7.516 6.289 631 HE ARG 88 HE ARG 88 11.534 4.958 5.796 632 HH11 ARG 88 1HH1 ARG 88 14.075 6.747 7.505 633 HH12 ARG 88 2HH1 ARG 88 14.339 5.514 8.654 634 HH21 ARG 88 1HH2 ARG 88 11.964 3.231 7.379 635 HH22 ARG 88 2HH2 ARG 88 13.145 3.492 8.570 636 H HIS 89 H HIS 89 6.594 7.963 4.122 637 HA HIS 89 HA HIS 89 5.716 9.134 6.634 638 HB2 HIS 89 2HB HIS 89 4.637 9.882 4.509 639 HB3 HIS 89 1HB HIS 89 4.081 8.239 4.232 640 HD2 HIS 89 2HD HIS 89 3.610 9.313 7.848 641 HE1 HIS 89 1HE HIS 89 -0.084 9.885 5.888 642 HE2 HIS 89 2HE HIS 89 1.096 9.102 7.967 643 H ALA 90 H ALA 90 5.278 6.119 4.754 644 HA ALA 90 HA ALA 90 4.624 4.884 7.335 645 HB1 ALA 90 1HB ALA 90 2.956 3.479 6.247 646 HB2 ALA 90 2HB ALA 90 3.241 4.315 4.719 647 HB3 ALA 90 3HB ALA 90 2.551 5.186 6.090 648 H GLU 91 H GLU 91 5.269 2.758 7.559 649 HA GLU 91 HA GLU 91 6.785 1.659 5.355 650 HB2 GLU 91 2HB GLU 91 8.321 2.843 6.906 651 HB3 GLU 91 1HB GLU 91 7.761 1.804 8.204 652 HG2 GLU 91 2HG GLU 91 8.711 -0.114 7.174 653 HG3 GLU 91 1HG GLU 91 9.078 0.794 5.706 654 H PHE 92 H PHE 92 6.506 -0.425 5.136 655 HA PHE 92 HA PHE 92 4.621 -1.776 6.919 656 HB2 PHE 92 2HB PHE 92 5.481 -2.391 4.075 657 HB3 PHE 92 1HB PHE 92 4.294 -3.293 4.995 658 HD1 PHE 92 1HD PHE 92 4.957 0.119 3.627 659 HD2 PHE 92 2HD PHE 92 2.066 -2.775 4.786 660 HE1 PHE 92 1HE PHE 92 3.172 1.533 2.695 661 HE2 PHE 92 2HE PHE 92 0.285 -1.365 3.865 662 HZ PHE 92 HZ PHE 92 0.834 0.792 2.819 663 H ARG 93 H ARG 93 5.535 -3.203 8.188 664 HA ARG 93 HA ARG 93 8.156 -4.256 7.426 665 HB2 ARG 93 2HB ARG 93 6.917 -4.065 10.180 666 HB3 ARG 93 1HB ARG 93 8.538 -4.622 9.802 667 HG2 ARG 93 2HG ARG 93 7.504 -1.831 9.359 668 HG3 ARG 93 1HG ARG 93 8.510 -2.348 10.709 669 HD2 ARG 93 2HD ARG 93 9.294 -2.496 7.802 670 HD3 ARG 93 1HD ARG 93 9.773 -1.218 8.909 671 HE ARG 93 HE ARG 93 10.538 -4.042 9.256 672 HH11 ARG 93 1HH1 ARG 93 11.371 -0.590 9.282 673 HH12 ARG 93 2HH1 ARG 93 12.931 -0.813 9.855 674 HH21 ARG 93 1HH2 ARG 93 12.762 -4.371 9.940 675 HH22 ARG 93 2HH2 ARG 93 13.765 -3.020 10.224 676 H ILE 94 H ILE 94 8.282 -6.355 7.209 677 HA ILE 94 HA ILE 94 5.874 -7.879 7.767 678 HB ILE 94 HB ILE 94 8.154 -8.442 5.818 679 HG12 ILE 94 2HG1 ILE 94 6.330 -8.533 4.112 680 HG13 ILE 94 1HG1 ILE 94 5.193 -8.037 5.349 681 HG21 ILE 94 1HG2 ILE 94 5.860 -10.263 6.505 682 HG22 ILE 94 2HG2 ILE 94 7.568 -10.532 6.876 683 HG23 ILE 94 3HG2 ILE 94 7.019 -10.499 5.199 684 HD11 ILE 94 3HD1 ILE 94 7.504 -6.407 4.300 685 HD12 ILE 94 1HD1 ILE 94 6.362 -5.893 5.541 686 HD13 ILE 94 2HD1 ILE 94 5.798 -6.189 3.897 687 H ASN 95 H ASN 95 5.945 -8.933 9.470 688 HA ASN 95 HA ASN 95 8.490 -9.784 10.648 689 HB2 ASN 95 2HB ASN 95 7.739 -7.681 11.656 690 HB3 ASN 95 1HB ASN 95 6.162 -8.377 11.980 691 HD21 ASN 95 1HD2 ASN 95 6.375 -7.936 14.134 692 HD22 ASN 95 2HD2 ASN 95 7.381 -8.882 15.180 693 H GLU 96 H GLU 96 8.405 -11.876 11.036 694 HA GLU 96 HA GLU 96 7.702 -14.028 11.276 695 HB2 GLU 96 2HB GLU 96 5.385 -12.705 12.714 696 HB3 GLU 96 1HB GLU 96 5.774 -14.410 12.803 697 HG2 GLU 96 2HG GLU 96 7.502 -12.143 13.794 698 HG3 GLU 96 1HG GLU 96 6.507 -13.196 14.796 699 H GLY 97 H GLY 97 6.980 -12.735 8.831 700 HA2 GLY 97 2HA GLY 97 5.847 -13.349 6.926 701 HA3 GLY 97 1HA GLY 97 4.986 -14.550 7.872 702 H GLU 98 H GLU 98 4.578 -11.664 9.426 703 HA GLU 98 HA GLU 98 2.039 -11.168 8.063 704 HB2 GLU 98 2HB GLU 98 2.738 -10.559 10.917 705 HB3 GLU 98 1HB GLU 98 1.158 -10.433 10.162 706 HG2 GLU 98 2HG GLU 98 1.234 -12.885 9.763 707 HG3 GLU 98 1HG GLU 98 2.714 -12.933 10.701 708 H PHE 99 H PHE 99 1.316 -8.991 7.987 709 HA PHE 99 HA PHE 99 3.576 -7.167 7.602 710 HB2 PHE 99 2HB PHE 99 0.773 -7.213 6.492 711 HB3 PHE 99 1HB PHE 99 1.852 -5.848 6.292 712 HD1 PHE 99 1HD PHE 99 1.769 -9.544 5.690 713 HD2 PHE 99 2HD PHE 99 3.048 -5.714 4.375 714 HE1 PHE 99 1HE PHE 99 2.629 -10.546 3.616 715 HE2 PHE 99 2HE PHE 99 3.919 -6.702 2.322 716 HZ PHE 99 HZ PHE 99 3.710 -9.115 1.925 717 H GLU 100 H GLU 100 3.855 -5.768 9.168 718 HA GLU 100 HA GLU 100 1.511 -4.612 10.454 719 HB2 GLU 100 2HB GLU 100 3.087 -4.047 12.365 720 HB3 GLU 100 1HB GLU 100 2.751 -5.757 12.171 721 HG2 GLU 100 2HG GLU 100 4.911 -6.068 11.066 722 HG3 GLU 100 1HG GLU 100 5.218 -4.338 11.214 723 H VAL 101 H VAL 101 1.287 -2.457 10.325 724 HA VAL 101 HA VAL 101 3.247 -1.142 8.584 725 HB VAL 101 HB VAL 101 0.371 -0.350 9.133 726 HG11 VAL 101 1HG1 VAL 101 0.638 1.163 7.218 727 HG12 VAL 101 2HG1 VAL 101 2.328 0.688 7.079 728 HG13 VAL 101 3HG1 VAL 101 1.772 1.554 8.512 729 HG21 VAL 101 3HG2 VAL 101 0.486 -2.453 7.929 730 HG22 VAL 101 1HG2 VAL 101 1.574 -1.735 6.745 731 HG23 VAL 101 2HG2 VAL 101 -0.088 -1.165 6.863 732 H VAL 102 H VAL 102 4.439 0.368 9.412 733 HA VAL 102 HA VAL 102 3.674 1.482 11.990 734 HB VAL 102 HB VAL 102 6.486 0.981 10.960 735 HG11 VAL 102 1HG1 VAL 102 7.224 1.524 13.232 736 HG12 VAL 102 2HG1 VAL 102 5.562 1.923 13.670 737 HG13 VAL 102 3HG1 VAL 102 6.407 2.882 12.457 738 HG21 VAL 102 3HG2 VAL 102 6.641 -0.784 12.675 739 HG22 VAL 102 1HG2 VAL 102 5.397 -1.139 11.476 740 HG23 VAL 102 2HG2 VAL 102 4.941 -0.535 13.069 741 H ASP 103 H ASP 103 3.465 3.618 11.934 742 HA ASP 103 HA ASP 103 4.121 5.292 9.694 743 HB2 ASP 103 2HB ASP 103 2.208 5.728 11.225 744 HB3 ASP 103 1HB ASP 103 3.327 5.918 12.561 745 H VAL 104 H VAL 104 6.082 6.126 9.360 746 HA VAL 104 HA VAL 104 7.999 6.123 11.597 747 HB VAL 104 HB VAL 104 9.817 5.749 9.925 748 HG11 VAL 104 1HG1 VAL 104 7.681 3.625 9.990 749 HG12 VAL 104 2HG1 VAL 104 8.949 3.872 11.192 750 HG13 VAL 104 3HG1 VAL 104 9.368 3.365 9.555 751 HG21 VAL 104 3HG2 VAL 104 8.670 6.587 7.926 752 HG22 VAL 104 1HG2 VAL 104 7.538 5.237 8.007 753 HG23 VAL 104 2HG2 VAL 104 9.246 4.939 7.675 754 H GLY 105 H GLY 105 6.171 8.132 10.190 755 HA2 GLY 105 2HA GLY 105 7.564 10.420 10.669 756 HA3 GLY 105 1HA GLY 105 7.887 10.027 8.985 757 H SER 106 H SER 106 5.409 10.739 11.316 758 HA SER 106 HA SER 106 3.173 10.640 9.650 759 HB2 SER 106 2HB SER 106 3.671 12.394 12.051 760 HB3 SER 106 1HB SER 106 2.091 12.021 11.361 761 HG SER 106 HG SER 106 3.368 9.743 11.790 762 H LEU 107 H LEU 107 3.407 11.665 7.710 763 HA LEU 107 HA LEU 107 4.442 14.301 7.446 764 HB2 LEU 107 2HB LEU 107 4.313 12.606 5.642 765 HB3 LEU 107 1HB LEU 107 2.571 12.762 5.657 766 HG LEU 107 HG LEU 107 2.899 15.184 5.078 767 HD11 LEU 107 1HD1 LEU 107 5.204 15.408 5.747 768 HD12 LEU 107 2HD1 LEU 107 5.031 15.777 4.033 769 HD13 LEU 107 3HD1 LEU 107 5.698 14.224 4.541 770 HD21 LEU 107 3HD2 LEU 107 2.159 13.534 3.479 771 HD22 LEU 107 1HD2 LEU 107 3.831 13.064 3.178 772 HD23 LEU 107 2HD2 LEU 107 3.271 14.672 2.713 773 H ASN 108 H ASN 108 1.182 12.992 7.118 774 HA ASN 108 HA ASN 108 0.202 15.412 8.477 775 HB2 ASN 108 2HB ASN 108 -0.609 15.222 6.117 776 HB3 ASN 108 1HB ASN 108 -1.342 13.676 6.516 777 HD21 ASN 108 1HD2 ASN 108 -3.381 14.456 5.946 778 HD22 ASN 108 2HD2 ASN 108 -4.239 15.569 6.957 779 H GLY 109 H GLY 109 0.566 12.071 8.509 780 HA2 GLY 109 2HA GLY 109 0.142 10.978 10.676 781 HA3 GLY 109 1HA GLY 109 -1.464 11.717 10.598 782 H THR 110 H THR 110 -0.179 8.845 10.301 783 HA THR 110 HA THR 110 -1.181 8.094 7.719 784 HB THR 110 HB THR 110 -0.125 6.398 10.001 785 HG1 THR 110 1HG THR 110 1.640 7.412 9.407 786 HG21 THR 110 3HG2 THR 110 -0.448 5.775 7.050 787 HG22 THR 110 1HG2 THR 110 -1.448 5.113 8.342 788 HG23 THR 110 2HG2 THR 110 0.265 4.707 8.259 789 H TYR 111 H TYR 111 -3.153 7.335 7.317 790 HA TYR 111 HA TYR 111 -4.890 6.817 9.608 791 HB2 TYR 111 2HB TYR 111 -5.547 7.467 6.745 792 HB3 TYR 111 1HB TYR 111 -6.748 7.071 7.967 793 HD1 TYR 111 2HD TYR 111 -7.214 8.653 9.781 794 HD2 TYR 111 1HD TYR 111 -4.512 9.628 6.647 795 HE1 TYR 111 2HE TYR 111 -7.357 11.024 10.401 796 HE2 TYR 111 1HE TYR 111 -4.650 12.003 7.261 797 HH TYR 111 HH TYR 111 -6.218 13.500 8.423 798 H VAL 112 H VAL 112 -5.434 4.865 9.983 799 HA VAL 112 HA VAL 112 -5.327 2.852 7.854 800 HB VAL 112 HB VAL 112 -4.703 2.531 10.822 801 HG11 VAL 112 1HG1 VAL 112 -4.914 0.457 8.652 802 HG12 VAL 112 2HG1 VAL 112 -5.943 0.609 10.075 803 HG13 VAL 112 3HG1 VAL 112 -4.246 0.155 10.256 804 HG21 VAL 112 3HG2 VAL 112 -2.834 3.454 9.547 805 HG22 VAL 112 1HG2 VAL 112 -2.944 2.119 8.400 806 HG23 VAL 112 2HG2 VAL 112 -2.478 1.807 10.073 807 H ASN 113 H ASN 113 -7.317 2.028 7.501 808 HA ASN 113 HA ASN 113 -9.573 1.800 7.623 809 HB2 ASN 113 2HB ASN 113 -8.743 0.262 9.515 810 HB3 ASN 113 1HB ASN 113 -9.141 1.560 10.628 811 HD21 ASN 113 1HD2 ASN 113 -10.335 -0.920 8.582 812 HD22 ASN 113 2HD2 ASN 113 -11.993 -0.854 9.090 813 H ARG 114 H ARG 114 -8.615 4.338 7.500 814 HA ARG 114 HA ARG 114 -9.036 6.514 7.616 815 HB2 ARG 114 2HB ARG 114 -11.738 5.735 8.708 816 HB3 ARG 114 1HB ARG 114 -11.303 7.312 8.089 817 HG2 ARG 114 2HG ARG 114 -12.459 6.371 6.336 818 HG3 ARG 114 1HG ARG 114 -10.789 6.064 5.891 819 HD2 ARG 114 2HD ARG 114 -12.224 4.098 5.515 820 HD3 ARG 114 1HD ARG 114 -10.968 3.783 6.715 821 HE ARG 114 HE ARG 114 -13.060 4.582 8.214 822 HH11 ARG 114 1HH1 ARG 114 -12.711 2.023 5.768 823 HH12 ARG 114 2HH1 ARG 114 -13.899 1.038 6.489 824 HH21 ARG 114 1HH2 ARG 114 -14.642 3.166 9.185 825 HH22 ARG 114 2HH2 ARG 114 -14.971 1.659 8.436 826 H GLU 115 H GLU 115 -8.309 4.938 10.248 827 HA GLU 115 HA GLU 115 -8.892 7.148 12.061 828 HB2 GLU 115 2HB GLU 115 -8.007 4.321 12.670 829 HB3 GLU 115 1HB GLU 115 -8.422 5.561 13.839 830 HG2 GLU 115 2HG GLU 115 -10.315 4.282 11.877 831 HG3 GLU 115 1HG GLU 115 -10.207 3.934 13.601 832 HA PRO 116 HA PRO 116 -4.499 8.166 11.744 833 HB2 PRO 116 2HB PRO 116 -4.887 9.190 14.504 834 HB3 PRO 116 1HB PRO 116 -4.277 10.037 13.083 835 HG2 PRO 116 2HG PRO 116 -6.732 10.509 14.078 836 HG3 PRO 116 1HG PRO 116 -6.384 10.591 12.343 837 HD2 PRO 116 2HD PRO 116 -7.838 8.477 13.876 838 HD3 PRO 116 1HD PRO 116 -8.049 9.038 12.211 839 H ARG 117 H ARG 117 -2.972 6.689 12.136 840 HA ARG 117 HA ARG 117 -2.859 5.317 14.726 841 HB2 ARG 117 2HB ARG 117 -4.323 4.034 13.146 842 HB3 ARG 117 1HB ARG 117 -2.962 3.921 12.046 843 HG2 ARG 117 2HG ARG 117 -3.190 1.854 13.203 844 HG3 ARG 117 1HG ARG 117 -1.736 2.653 13.806 845 HD2 ARG 117 2HD ARG 117 -3.063 1.640 15.621 846 HD3 ARG 117 1HD ARG 117 -2.942 3.387 15.787 847 HE ARG 117 HE ARG 117 -5.195 3.585 15.020 848 HH11 ARG 117 1HH1 ARG 117 -4.267 0.257 15.858 849 HH12 ARG 117 2HH1 ARG 117 -5.879 -0.258 16.090 850 HH21 ARG 117 1HH2 ARG 117 -7.343 2.879 15.390 851 HH22 ARG 117 2HH2 ARG 117 -7.672 1.265 15.821 852 H ASN 118 H ASN 118 -0.733 4.605 15.173 853 HA ASN 118 HA ASN 118 1.296 5.521 13.307 854 HB2 ASN 118 2HB ASN 118 1.618 6.181 15.650 855 HB3 ASN 118 1HB ASN 118 1.593 4.493 16.146 856 HD21 ASN 118 1HD2 ASN 118 3.448 7.012 14.681 857 HD22 ASN 118 2HD2 ASN 118 4.945 6.173 14.635 858 H ALA 119 H ALA 119 0.994 2.605 15.395 859 HA ALA 119 HA ALA 119 1.858 1.115 13.024 860 HB1 ALA 119 1HB ALA 119 3.148 -0.362 14.472 861 HB2 ALA 119 2HB ALA 119 2.685 0.597 15.876 862 HB3 ALA 119 3HB ALA 119 3.707 1.307 14.627 863 H GLN 120 H GLN 120 0.717 -0.587 12.563 864 HA GLN 120 HA GLN 120 -0.805 -1.963 14.550 865 HB2 GLN 120 2HB GLN 120 -2.307 -0.022 13.771 866 HB3 GLN 120 1HB GLN 120 -2.477 -0.942 12.266 867 HG2 GLN 120 2HG GLN 120 -2.884 -2.872 14.105 868 HG3 GLN 120 1HG GLN 120 -3.550 -1.475 14.931 869 HE21 GLN 120 1HE2 GLN 120 -4.582 -3.910 13.788 870 HE22 GLN 120 2HE2 GLN 120 -5.819 -3.474 12.702 871 H VAL 121 H VAL 121 -1.590 -4.067 13.855 872 HA VAL 121 HA VAL 121 0.040 -5.095 11.697 873 HB VAL 121 HB VAL 121 -1.983 -6.536 13.479 874 HG11 VAL 121 1HG1 VAL 121 -1.630 -7.709 11.360 875 HG12 VAL 121 2HG1 VAL 121 -0.906 -8.607 12.695 876 HG13 VAL 121 3HG1 VAL 121 0.115 -7.661 11.614 877 HG21 VAL 121 3HG2 VAL 121 1.032 -6.460 13.650 878 HG22 VAL 121 1HG2 VAL 121 -0.030 -7.425 14.671 879 HG23 VAL 121 2HG2 VAL 121 -0.078 -5.666 14.761 880 H MET 122 H MET 122 -0.775 -5.672 9.696 881 HA MET 122 HA MET 122 -3.249 -4.271 9.159 882 HB2 MET 122 2HB MET 122 -1.153 -3.726 7.937 883 HB3 MET 122 1HB MET 122 -1.228 -5.312 7.193 884 HG2 MET 122 2HG MET 122 -2.095 -3.469 5.770 885 HG3 MET 122 1HG MET 122 -3.245 -4.773 6.052 886 HE1 MET 122 3HE MET 122 -2.286 -2.100 8.756 887 HE2 MET 122 1HE MET 122 -3.437 -0.811 8.424 888 HE3 MET 122 2HE MET 122 -2.155 -1.158 7.274 889 H GLN 123 H GLN 123 -4.884 -5.034 7.908 890 HA GLN 123 HA GLN 123 -5.145 -7.939 7.742 891 HB2 GLN 123 2HB GLN 123 -7.223 -5.841 8.383 892 HB3 GLN 123 1HB GLN 123 -7.596 -7.525 8.047 893 HG2 GLN 123 2HG GLN 123 -6.313 -8.225 9.976 894 HG3 GLN 123 1HG GLN 123 -5.860 -6.555 10.307 895 HE21 GLN 123 1HE2 GLN 123 -7.279 -8.471 11.932 896 HE22 GLN 123 2HE2 GLN 123 -8.811 -7.773 12.319 897 H THR 124 H THR 124 -6.570 -8.622 5.981 898 HA THR 124 HA THR 124 -5.857 -7.132 3.645 899 HB THR 124 HB THR 124 -5.454 -9.440 3.442 900 HG1 THR 124 1HG THR 124 -7.876 -9.153 2.012 901 HG21 THR 124 3HG2 THR 124 -7.210 -11.198 3.690 902 HG22 THR 124 1HG2 THR 124 -8.311 -9.961 4.293 903 HG23 THR 124 2HG2 THR 124 -6.849 -10.353 5.192 904 H GLY 125 H GLY 125 -7.081 -5.903 2.467 905 HA2 GLY 125 2HA GLY 125 -9.104 -5.239 1.449 906 HA3 GLY 125 1HA GLY 125 -9.989 -5.993 2.767 907 H ASP 126 H ASP 126 -7.522 -4.444 4.217 908 HA ASP 126 HA ASP 126 -9.307 -2.267 4.922 909 HB2 ASP 126 2HB ASP 126 -7.977 -3.732 6.625 910 HB3 ASP 126 1HB ASP 126 -6.615 -2.694 6.200 911 H GLU 127 H GLU 127 -8.446 -0.062 5.072 912 HA GLU 127 HA GLU 127 -6.691 0.419 2.774 913 HB2 GLU 127 2HB GLU 127 -9.142 1.983 3.538 914 HB3 GLU 127 1HB GLU 127 -8.011 2.437 2.272 915 HG2 GLU 127 2HG GLU 127 -8.517 0.409 1.055 916 HG3 GLU 127 1HG GLU 127 -9.604 -0.108 2.334 917 H ILE 128 H ILE 128 -5.142 1.740 2.977 918 HA ILE 128 HA ILE 128 -4.719 3.165 5.528 919 HB ILE 128 HB ILE 128 -2.655 2.287 3.482 920 HG12 ILE 128 2HG1 ILE 128 -3.346 0.911 6.090 921 HG13 ILE 128 1HG1 ILE 128 -3.864 0.345 4.507 922 HG21 ILE 128 1HG2 ILE 128 -1.054 2.671 5.311 923 HG22 ILE 128 2HG2 ILE 128 -2.377 3.205 6.346 924 HG23 ILE 128 3HG2 ILE 128 -1.953 4.134 4.910 925 HD11 ILE 128 3HD1 ILE 128 -1.031 0.571 5.494 926 HD12 ILE 128 1HD1 ILE 128 -1.507 0.083 3.867 927 HD13 ILE 128 2HD1 ILE 128 -1.960 -0.913 5.241 928 H GLN 129 H GLN 129 -4.651 5.363 5.306 929 HA GLN 129 HA GLN 129 -4.447 6.367 2.574 930 HB2 GLN 129 2HB GLN 129 -6.660 6.810 3.596 931 HB3 GLN 129 1HB GLN 129 -5.887 7.694 4.887 932 HG2 GLN 129 2HG GLN 129 -5.497 9.544 3.591 933 HG3 GLN 129 1HG GLN 129 -5.437 8.613 2.095 934 HE21 GLN 129 1HE2 GLN 129 -6.926 10.077 1.090 935 HE22 GLN 129 2HE2 GLN 129 -8.592 10.028 1.450 936 H ILE 130 H ILE 130 -2.776 7.282 1.993 937 HA ILE 130 HA ILE 130 -0.840 8.344 3.937 938 HB ILE 130 HB ILE 130 -0.412 7.117 1.190 939 HG12 ILE 130 2HG1 ILE 130 -0.956 5.403 2.823 940 HG13 ILE 130 1HG1 ILE 130 0.742 5.284 2.384 941 HG21 ILE 130 1HG2 ILE 130 1.999 7.258 1.639 942 HG22 ILE 130 2HG2 ILE 130 1.657 8.121 3.137 943 HG23 ILE 130 3HG2 ILE 130 1.235 8.849 1.585 944 HD11 ILE 130 3HD1 ILE 130 1.340 6.434 4.467 945 HD12 ILE 130 1HD1 ILE 130 0.435 4.948 4.758 946 HD13 ILE 130 2HD1 ILE 130 -0.369 6.509 4.900 947 H GLY 131 H GLY 131 -0.179 10.399 3.613 948 HA2 GLY 131 2HA GLY 131 -0.147 12.548 2.801 949 HA3 GLY 131 1HA GLY 131 -0.387 11.856 1.197 950 H LYS 132 H LYS 132 -2.375 11.713 0.367 951 HA LYS 132 HA LYS 132 -4.671 12.525 1.978 952 HB2 LYS 132 2HB LYS 132 -5.537 13.958 0.151 953 HB3 LYS 132 1HB LYS 132 -4.087 14.595 0.905 954 HG2 LYS 132 2HG LYS 132 -2.770 14.160 -0.964 955 HG3 LYS 132 1HG LYS 132 -3.911 12.975 -1.606 956 HD2 LYS 132 2HD LYS 132 -4.627 15.883 -1.326 957 HD3 LYS 132 1HD LYS 132 -3.817 15.244 -2.761 958 HE2 LYS 132 2HE LYS 132 -5.640 13.707 -3.155 959 HE3 LYS 132 1HE LYS 132 -6.431 14.189 -1.663 960 HZ1 LYS 132 3HZ LYS 132 -6.948 16.264 -2.537 961 HZ2 LYS 132 1HZ LYS 132 -7.358 15.156 -3.714 962 HZ3 LYS 132 2HZ LYS 132 -5.968 16.098 -3.912 963 H PHE 133 H PHE 133 -3.471 10.076 0.330 964 HA PHE 133 HA PHE 133 -6.015 9.470 -0.944 965 HB2 PHE 133 2HB PHE 133 -4.754 8.438 -2.834 966 HB3 PHE 133 1HB PHE 133 -4.680 10.190 -2.769 967 HD1 PHE 133 2HD PHE 133 -2.565 11.305 -2.201 968 HD2 PHE 133 1HD PHE 133 -2.802 7.069 -2.559 969 HE1 PHE 133 2HE PHE 133 -0.119 11.188 -2.370 970 HE2 PHE 133 1HE PHE 133 -0.352 6.947 -2.736 971 HZ PHE 133 HZ PHE 133 0.992 9.013 -2.644 972 H ARG 134 H ARG 134 -6.425 7.140 -1.242 973 HA ARG 134 HA ARG 134 -4.903 5.742 0.810 974 HB2 ARG 134 2HB ARG 134 -6.760 4.567 1.701 975 HB3 ARG 134 1HB ARG 134 -7.204 6.253 1.612 976 HG2 ARG 134 2HG ARG 134 -8.086 4.177 -0.385 977 HG3 ARG 134 1HG ARG 134 -9.006 4.631 1.042 978 HD2 ARG 134 2HD ARG 134 -9.068 6.953 0.202 979 HD3 ARG 134 1HD ARG 134 -8.245 6.406 -1.263 980 HE ARG 134 HE ARG 134 -10.357 4.760 -1.122 981 HH11 ARG 134 1HH1 ARG 134 -10.170 8.297 -0.815 982 HH12 ARG 134 2HH1 ARG 134 -11.615 8.621 -1.501 983 HH21 ARG 134 1HH2 ARG 134 -12.463 5.166 -2.056 984 HH22 ARG 134 2HH2 ARG 134 -13.025 6.776 -2.218 985 H LEU 135 H LEU 135 -4.515 3.698 0.808 986 HA LEU 135 HA LEU 135 -4.537 2.363 -1.790 987 HB2 LEU 135 2HB LEU 135 -2.542 2.128 0.485 988 HB3 LEU 135 1HB LEU 135 -2.499 1.199 -0.993 989 HG LEU 135 HG LEU 135 -2.140 3.423 -2.206 990 HD11 LEU 135 1HD1 LEU 135 -1.519 4.395 0.572 991 HD12 LEU 135 2HD1 LEU 135 -2.838 4.952 -0.459 992 HD13 LEU 135 3HD1 LEU 135 -1.166 5.253 -0.928 993 HD21 LEU 135 3HD2 LEU 135 0.251 3.443 -1.705 994 HD22 LEU 135 1HD2 LEU 135 -0.379 1.809 -1.897 995 HD23 LEU 135 2HD2 LEU 135 -0.046 2.444 -0.283 996 H VAL 136 H VAL 136 -5.153 0.212 -1.757 997 HA VAL 136 HA VAL 136 -6.490 -0.685 0.715 998 HB VAL 136 HB VAL 136 -6.912 -1.808 -2.042 999 HG11 VAL 136 1HG1 VAL 136 -8.687 -1.769 0.381 1000 HG12 VAL 136 2HG1 VAL 136 -7.776 -3.138 -0.250 1001 HG13 VAL 136 3HG1 VAL 136 -9.111 -2.462 -1.184 1002 HG21 VAL 136 3HG2 VAL 136 -8.849 -0.339 -2.378 1003 HG22 VAL 136 1HG2 VAL 136 -7.329 0.546 -2.296 1004 HG23 VAL 136 2HG2 VAL 136 -8.425 0.554 -0.915 1005 H PHE 137 H PHE 137 -5.533 -2.318 1.655 1006 HA PHE 137 HA PHE 137 -3.289 -3.657 0.373 1007 HB2 PHE 137 2HB PHE 137 -3.047 -2.628 2.589 1008 HB3 PHE 137 1HB PHE 137 -4.341 -3.638 3.205 1009 HD1 PHE 137 1HD PHE 137 -3.956 -5.992 3.680 1010 HD2 PHE 137 2HD PHE 137 -0.839 -3.479 2.240 1011 HE1 PHE 137 1HE PHE 137 -2.294 -7.647 4.403 1012 HE2 PHE 137 2HE PHE 137 0.826 -5.133 2.955 1013 HZ PHE 137 HZ PHE 137 0.095 -7.216 4.041 1014 H LEU 138 H LEU 138 -3.722 -5.577 -0.675 1015 HA LEU 138 HA LEU 138 -5.844 -7.268 0.448 1016 HB2 LEU 138 2HB LEU 138 -4.854 -7.104 -2.410 1017 HB3 LEU 138 1HB LEU 138 -5.899 -8.368 -1.817 1018 HG LEU 138 HG LEU 138 -7.261 -6.913 -3.023 1019 HD11 LEU 138 1HD1 LEU 138 -8.846 -6.013 -1.427 1020 HD12 LEU 138 2HD1 LEU 138 -7.663 -6.224 -0.139 1021 HD13 LEU 138 3HD1 LEU 138 -8.293 -7.631 -0.994 1022 HD21 LEU 138 3HD2 LEU 138 -5.803 -4.993 -3.201 1023 HD22 LEU 138 1HD2 LEU 138 -6.076 -4.592 -1.505 1024 HD23 LEU 138 2HD2 LEU 138 -7.404 -4.488 -2.663 1025 H ALA 139 H ALA 139 -5.417 -9.450 0.670 1026 HA ALA 139 HA ALA 139 -2.681 -10.108 1.159 1027 HB1 ALA 139 1HB ALA 139 -4.461 -11.042 2.544 1028 HB2 ALA 139 2HB ALA 139 -3.554 -12.330 1.748 1029 HB3 ALA 139 3HB ALA 139 -5.137 -11.854 1.135 1030 H GLY 140 H GLY 140 -1.353 -11.466 0.032 1031 HA2 GLY 140 2HA GLY 140 -1.554 -11.473 -2.745 1032 HA3 GLY 140 1HA GLY 140 -0.408 -12.407 -1.795 1033 HA PRO 141 HA PRO 141 -4.221 -14.886 -3.531 1034 HB2 PRO 141 2HB PRO 141 -3.466 -15.406 -6.094 1035 HB3 PRO 141 1HB PRO 141 -4.493 -14.040 -5.641 1036 HG2 PRO 141 2HG PRO 141 -1.547 -14.094 -6.176 1037 HG3 PRO 141 1HG PRO 141 -2.756 -12.919 -6.721 1038 HD2 PRO 141 2HD PRO 141 -1.142 -12.427 -4.637 1039 HD3 PRO 141 1HD PRO 141 -2.820 -11.844 -4.673 1040 H ALA 142 H ALA 142 -4.162 -17.124 -4.119 1041 HA ALA 142 HA ALA 142 -1.888 -18.494 -3.017 1042 HB1 ALA 142 1HB ALA 142 -4.465 -19.542 -4.178 1043 HB2 ALA 142 2HB ALA 142 -4.161 -19.195 -2.473 1044 HB3 ALA 142 3HB ALA 142 -3.283 -20.495 -3.283 1045 H GLU 143 H GLU 143 -1.084 -17.232 -5.174 1046 HA GLU 143 HA GLU 143 -1.040 -18.833 -7.567 1047 HB2 GLU 143 2HB GLU 143 -0.978 -16.292 -7.442 1048 HB3 GLU 143 1HB GLU 143 0.650 -16.443 -6.807 1049 HG2 GLU 143 2HG GLU 143 0.811 -15.944 -9.113 1050 HG3 GLU 143 1HG GLU 143 1.271 -17.629 -8.899 Start of MODEL 15 1 H1 MET 1 1HT MET 1 17.204 -12.570 5.797 2 H2 MET 1 2HT MET 1 18.050 -12.500 7.249 3 H3 MET 1 3HT MET 1 18.841 -12.971 5.859 4 HA MET 1 HA MET 1 19.406 -10.760 6.491 5 HB2 MET 1 2HB MET 1 18.026 -11.221 3.889 6 HB3 MET 1 1HB MET 1 18.672 -9.629 4.270 7 HG2 MET 1 2HG MET 1 20.211 -12.207 4.216 8 HG3 MET 1 1HG MET 1 20.320 -10.884 3.049 9 HE1 MET 1 2HE MET 1 23.725 -10.680 5.048 10 HE2 MET 1 3HE MET 1 23.005 -10.858 3.449 11 HE3 MET 1 1HE MET 1 22.827 -12.142 4.646 12 H SER 2 H SER 2 16.778 -11.213 7.850 13 HA SER 2 HA SER 2 16.028 -8.359 7.855 14 HB2 SER 2 2HB SER 2 13.762 -9.153 8.569 15 HB3 SER 2 1HB SER 2 14.184 -9.742 6.958 16 HG SER 2 HG SER 2 14.496 -11.747 7.734 17 H ASP 3 H ASP 3 18.011 -10.106 9.116 18 HA ASP 3 HA ASP 3 17.050 -10.587 11.837 19 HB2 ASP 3 2HB ASP 3 19.486 -11.700 10.468 20 HB3 ASP 3 1HB ASP 3 18.684 -12.310 11.914 21 H ASN 4 H ASN 4 18.244 -8.150 10.468 22 HA ASN 4 HA ASN 4 20.765 -7.728 11.780 23 HB2 ASN 4 2HB ASN 4 18.959 -5.835 10.233 24 HB3 ASN 4 1HB ASN 4 20.552 -5.408 10.822 25 HD21 ASN 4 1HD2 ASN 4 21.338 -4.968 8.794 26 HD22 ASN 4 2HD2 ASN 4 21.658 -6.178 7.606 27 H ASN 5 H ASN 5 21.068 -6.614 13.635 28 HA ASN 5 HA ASN 5 19.103 -6.610 15.607 29 HB2 ASN 5 2HB ASN 5 21.622 -4.938 15.496 30 HB3 ASN 5 1HB ASN 5 20.613 -5.087 16.921 31 HD21 ASN 5 1HD2 ASN 5 20.642 -7.067 18.047 32 HD22 ASN 5 2HD2 ASN 5 21.898 -8.221 17.807 33 H GLY 6 H GLY 6 17.329 -5.487 15.731 34 HA2 GLY 6 2HA GLY 6 16.938 -3.087 14.216 35 HA3 GLY 6 1HA GLY 6 15.758 -3.910 15.227 36 H THR 7 H THR 7 18.717 -2.084 15.495 37 HA THR 7 HA THR 7 17.898 -1.008 18.039 38 HB THR 7 HB THR 7 20.269 -1.545 17.778 39 HG1 THR 7 1HG THR 7 20.253 1.279 17.684 40 HG21 THR 7 3HG2 THR 7 20.459 -1.266 15.340 41 HG22 THR 7 1HG2 THR 7 21.730 -0.384 16.193 42 HG23 THR 7 2HG2 THR 7 20.343 0.482 15.538 43 HA PRO 8 HA PRO 8 15.896 2.518 16.048 44 HB2 PRO 8 2HB PRO 8 16.285 3.621 18.778 45 HB3 PRO 8 1HB PRO 8 14.806 3.558 17.810 46 HG2 PRO 8 2HG PRO 8 15.092 1.920 19.869 47 HG3 PRO 8 1HG PRO 8 14.413 1.313 18.348 48 HD2 PRO 8 2HD PRO 8 17.188 0.998 19.432 49 HD3 PRO 8 1HD PRO 8 16.136 -0.194 18.631 50 H GLU 9 H GLU 9 16.931 4.155 15.047 51 HA GLU 9 HA GLU 9 19.532 4.881 16.108 52 HB2 GLU 9 2HB GLU 9 18.617 4.478 13.286 53 HB3 GLU 9 1HB GLU 9 20.056 5.411 13.674 54 HG2 GLU 9 2HG GLU 9 19.574 2.543 14.432 55 HG3 GLU 9 1HG GLU 9 20.604 3.107 13.111 56 HA PRO 10 HA PRO 10 17.928 9.038 16.151 57 HB2 PRO 10 2HB PRO 10 20.772 9.735 16.457 58 HB3 PRO 10 1HB PRO 10 19.411 10.091 17.527 59 HG2 PRO 10 2HG PRO 10 21.307 8.287 18.152 60 HG3 PRO 10 1HG PRO 10 19.621 8.131 18.675 61 HD2 PRO 10 2HD PRO 10 21.072 6.698 16.491 62 HD3 PRO 10 1HD PRO 10 19.812 6.128 17.607 63 H GLN 11 H GLN 11 17.461 9.618 14.125 64 HA GLN 11 HA GLN 11 19.634 10.038 12.183 65 HB2 GLN 11 2HB GLN 11 16.913 8.814 11.678 66 HB3 GLN 11 1HB GLN 11 18.097 9.200 10.445 67 HG2 GLN 11 2HG GLN 11 19.570 7.497 11.223 68 HG3 GLN 11 1HG GLN 11 18.588 7.237 12.663 69 HE21 GLN 11 1HE2 GLN 11 19.383 5.348 10.567 70 HE22 GLN 11 2HE2 GLN 11 17.914 4.709 9.962 71 H VAL 12 H VAL 12 18.901 11.575 10.483 72 HA VAL 12 HA VAL 12 16.843 13.361 11.553 73 HB VAL 12 HB VAL 12 19.020 13.974 9.509 74 HG11 VAL 12 1HG1 VAL 12 17.043 15.797 10.885 75 HG12 VAL 12 2HG1 VAL 12 17.033 15.342 9.182 76 HG13 VAL 12 3HG1 VAL 12 18.351 16.326 9.828 77 HG21 VAL 12 3HG2 VAL 12 18.856 14.780 12.414 78 HG22 VAL 12 1HG2 VAL 12 20.074 15.337 11.267 79 HG23 VAL 12 2HG2 VAL 12 19.999 13.634 11.715 80 H GLU 13 H GLU 13 15.013 13.284 10.489 81 HA GLU 13 HA GLU 13 14.989 12.155 7.791 82 HB2 GLU 13 2HB GLU 13 14.238 10.707 9.849 83 HB3 GLU 13 1HB GLU 13 12.836 11.761 9.862 84 HG2 GLU 13 2HG GLU 13 12.337 9.720 8.697 85 HG3 GLU 13 1HG GLU 13 12.330 11.070 7.562 86 H THR 14 H THR 14 13.346 13.208 6.495 87 HA THR 14 HA THR 14 12.067 15.373 7.893 88 HB THR 14 HB THR 14 13.558 15.799 5.306 89 HG1 THR 14 1HG THR 14 14.201 15.863 7.868 90 HG21 THR 14 3HG2 THR 14 11.969 17.745 7.008 91 HG22 THR 14 1HG2 THR 14 11.474 17.147 5.426 92 HG23 THR 14 2HG2 THR 14 12.909 18.164 5.576 93 H TPO 15 H TPO 15 10.218 15.025 7.846 94 HA TPO 15 HA TPO 15 8.695 14.266 5.451 95 HB TPO 15 HB TPO 15 7.931 14.214 8.421 96 HG21 TPO 15 1HG2 TPO 15 6.002 14.929 7.113 97 HG22 TPO 15 2HG2 TPO 15 5.756 13.297 7.739 98 HG23 TPO 15 3HG2 TPO 15 6.192 13.536 6.047 99 H SER 16 H SER 16 7.812 16.009 4.447 100 HA SER 16 HA SER 16 7.762 18.523 5.864 101 HB2 SER 16 2HB SER 16 8.690 18.345 3.570 102 HB3 SER 16 1HB SER 16 7.118 17.821 2.986 103 HG SER 16 HG SER 16 8.010 20.297 3.839 104 H VAL 17 H VAL 17 5.908 19.474 6.569 105 HA VAL 17 HA VAL 17 3.525 17.856 6.530 106 HB VAL 17 HB VAL 17 4.033 20.534 7.864 107 HG11 VAL 17 1HG1 VAL 17 1.650 20.162 7.402 108 HG12 VAL 17 2HG1 VAL 17 1.989 20.105 9.127 109 HG13 VAL 17 3HG1 VAL 17 1.734 18.608 8.228 110 HG21 VAL 17 3HG2 VAL 17 3.972 17.747 8.996 111 HG22 VAL 17 1HG2 VAL 17 4.173 19.227 9.936 112 HG23 VAL 17 2HG2 VAL 17 5.413 18.742 8.775 113 H PHE 18 H PHE 18 1.981 18.069 5.123 114 HA PHE 18 HA PHE 18 1.772 20.622 3.725 115 HB2 PHE 18 2HB PHE 18 0.863 19.440 1.774 116 HB3 PHE 18 1HB PHE 18 2.465 18.846 2.175 117 HD1 PHE 18 1HD PHE 18 2.718 16.597 3.171 118 HD2 PHE 18 2HD PHE 18 -1.056 18.046 1.861 119 HE1 PHE 18 1HE PHE 18 1.842 14.313 3.180 120 HE2 PHE 18 2HE PHE 18 -1.944 15.751 1.875 121 HZ PHE 18 HZ PHE 18 -0.485 13.884 2.538 122 H ARG 19 H ARG 19 -0.119 21.564 3.586 123 HA ARG 19 HA ARG 19 -2.262 20.567 5.234 124 HB2 ARG 19 2HB ARG 19 -1.817 22.826 5.618 125 HB3 ARG 19 1HB ARG 19 -1.597 23.165 3.916 126 HG2 ARG 19 2HG ARG 19 -3.633 24.193 4.933 127 HG3 ARG 19 1HG ARG 19 -3.937 23.182 3.528 128 HD2 ARG 19 2HD ARG 19 -5.583 22.909 5.330 129 HD3 ARG 19 1HD ARG 19 -4.762 21.410 4.907 130 HE ARG 19 HE ARG 19 -3.535 22.749 7.092 131 HH11 ARG 19 1HH1 ARG 19 -6.316 20.751 6.176 132 HH12 ARG 19 2HH1 ARG 19 -6.520 20.057 7.715 133 HH21 ARG 19 1HH2 ARG 19 -3.791 21.719 9.247 134 HH22 ARG 19 2HH2 ARG 19 -5.052 20.604 9.481 135 H ALA 20 H ALA 20 -3.766 19.367 4.440 136 HA ALA 20 HA ALA 20 -4.569 19.787 1.674 137 HB1 ALA 20 1HB ALA 20 -3.228 17.782 1.702 138 HB2 ALA 20 2HB ALA 20 -4.921 17.337 1.460 139 HB3 ALA 20 3HB ALA 20 -4.161 17.122 3.035 140 H ASP 21 H ASP 21 -6.684 18.691 1.275 141 HA ASP 21 HA ASP 21 -8.646 19.674 3.141 142 HB2 ASP 21 2HB ASP 21 -10.188 19.210 1.261 143 HB3 ASP 21 1HB ASP 21 -8.828 20.228 0.797 144 H LEU 22 H LEU 22 -7.041 16.955 3.232 145 HA LEU 22 HA LEU 22 -8.826 14.811 2.949 146 HB2 LEU 22 2HB LEU 22 -7.153 13.447 3.904 147 HB3 LEU 22 1HB LEU 22 -6.357 14.662 2.947 148 HG LEU 22 HG LEU 22 -4.956 14.494 4.710 149 HD11 LEU 22 1HD1 LEU 22 -6.705 16.671 5.726 150 HD12 LEU 22 2HD1 LEU 22 -5.420 16.804 4.536 151 HD13 LEU 22 3HD1 LEU 22 -5.034 16.372 6.204 152 HD21 LEU 22 3HD2 LEU 22 -5.555 14.200 7.088 153 HD22 LEU 22 1HD2 LEU 22 -6.141 12.903 6.046 154 HD23 LEU 22 2HD2 LEU 22 -7.255 14.145 6.612 155 H LEU 23 H LEU 23 -9.029 17.153 5.214 156 HA LEU 23 HA LEU 23 -9.609 15.862 7.634 157 HB2 LEU 23 2HB LEU 23 -9.212 18.308 7.260 158 HB3 LEU 23 1HB LEU 23 -10.792 18.414 6.528 159 HG LEU 23 HG LEU 23 -10.658 19.327 8.809 160 HD11 LEU 23 1HD1 LEU 23 -12.543 17.005 8.563 161 HD12 LEU 23 2HD1 LEU 23 -12.827 18.662 8.029 162 HD13 LEU 23 3HD1 LEU 23 -12.670 18.304 9.750 163 HD21 LEU 23 3HD2 LEU 23 -10.494 17.873 10.740 164 HD22 LEU 23 1HD2 LEU 23 -9.043 17.767 9.753 165 HD23 LEU 23 2HD2 LEU 23 -10.247 16.476 9.692 166 H LYS 24 H LYS 24 -11.575 16.675 4.862 167 HA LYS 24 HA LYS 24 -14.061 15.872 5.930 168 HB2 LYS 24 2HB LYS 24 -13.236 15.926 3.029 169 HB3 LYS 24 1HB LYS 24 -14.888 15.892 3.635 170 HG2 LYS 24 2HG LYS 24 -14.483 18.071 4.737 171 HG3 LYS 24 1HG LYS 24 -12.881 18.103 3.999 172 HD2 LYS 24 2HD LYS 24 -13.936 17.978 1.784 173 HD3 LYS 24 1HD LYS 24 -15.527 18.041 2.554 174 HE2 LYS 24 2HE LYS 24 -14.855 20.213 3.575 175 HE3 LYS 24 1HE LYS 24 -13.374 20.142 2.628 176 HZ1 LYS 24 3HZ LYS 24 -14.959 21.485 1.499 177 HZ2 LYS 24 1HZ LYS 24 -16.137 20.270 1.573 178 HZ3 LYS 24 2HZ LYS 24 -14.764 20.052 0.614 179 H GLU 25 H GLU 25 -11.469 14.066 4.523 180 HA GLU 25 HA GLU 25 -12.922 11.702 3.920 181 HB2 GLU 25 2HB GLU 25 -9.994 12.137 4.473 182 HB3 GLU 25 1HB GLU 25 -10.701 10.611 3.965 183 HG2 GLU 25 2HG GLU 25 -10.766 13.174 2.394 184 HG3 GLU 25 1HG GLU 25 -9.658 11.830 2.118 185 H MET 26 H MET 26 -10.921 12.672 6.683 186 HA MET 26 HA MET 26 -11.297 10.218 8.082 187 HB2 MET 26 2HB MET 26 -10.237 11.238 9.992 188 HB3 MET 26 1HB MET 26 -9.392 11.776 8.549 189 HG2 MET 26 2HG MET 26 -10.503 13.925 8.655 190 HG3 MET 26 1HG MET 26 -11.480 13.381 10.011 191 HE1 MET 26 3HE MET 26 -7.887 14.397 8.795 192 HE2 MET 26 1HE MET 26 -7.620 12.754 9.379 193 HE3 MET 26 2HE MET 26 -6.923 14.122 10.246 194 H GLU 27 H GLU 27 -13.290 12.905 7.657 195 HA GLU 27 HA GLU 27 -14.803 12.336 10.081 196 HB2 GLU 27 2HB GLU 27 -14.149 14.653 9.658 197 HB3 GLU 27 1HB GLU 27 -15.016 14.621 8.134 198 HG2 GLU 27 2HG GLU 27 -17.116 14.377 9.289 199 HG3 GLU 27 1HG GLU 27 -16.277 14.271 10.838 200 H SER 28 H SER 28 -15.378 12.672 6.536 201 HA SER 28 HA SER 28 -18.030 11.597 7.027 202 HB2 SER 28 2HB SER 28 -16.978 13.156 4.679 203 HB3 SER 28 1HB SER 28 -18.650 12.618 4.895 204 HG SER 28 HG SER 28 -18.414 13.721 7.011 205 H SER 29 H SER 29 -15.083 10.762 5.274 206 HA SER 29 HA SER 29 -16.390 8.705 3.775 207 HB2 SER 29 2HB SER 29 -13.445 9.007 4.441 208 HB3 SER 29 1HB SER 29 -14.126 8.028 3.141 209 HG SER 29 HG SER 29 -13.376 10.004 2.341 210 H THR 30 H THR 30 -15.102 9.109 6.906 211 HA THR 30 HA THR 30 -14.949 6.401 7.646 212 HB THR 30 HB THR 30 -15.427 8.841 9.387 213 HG1 THR 30 1HG THR 30 -13.294 9.124 9.296 214 HG21 THR 30 3HG2 THR 30 -15.822 6.665 10.510 215 HG22 THR 30 1HG2 THR 30 -14.388 7.474 11.143 216 HG23 THR 30 2HG2 THR 30 -14.214 6.133 10.014 217 H GLY 31 H GLY 31 -16.519 5.091 7.871 218 HA2 GLY 31 2HA GLY 31 -18.850 5.151 9.127 219 HA3 GLY 31 1HA GLY 31 -19.241 5.894 7.564 220 H THR 32 H THR 32 -17.386 4.645 6.008 221 HA THR 32 HA THR 32 -18.491 2.056 5.588 222 HB THR 32 HB THR 32 -15.990 3.265 4.374 223 HG1 THR 32 1HG THR 32 -17.255 4.632 3.387 224 HG21 THR 32 3HG2 THR 32 -16.419 0.877 3.883 225 HG22 THR 32 1HG2 THR 32 -16.610 1.878 2.441 226 HG23 THR 32 2HG2 THR 32 -18.030 1.303 3.304 227 H ALA 33 H ALA 33 -17.813 0.262 6.603 228 HA ALA 33 HA ALA 33 -15.488 0.325 8.317 229 HB1 ALA 33 1HB ALA 33 -16.315 -1.875 9.073 230 HB2 ALA 33 2HB ALA 33 -17.545 -1.834 7.812 231 HB3 ALA 33 3HB ALA 33 -17.588 -0.654 9.118 232 HA PRO 34 HA PRO 34 -12.621 -1.788 5.619 233 HB2 PRO 34 2HB PRO 34 -11.658 -3.746 7.346 234 HB3 PRO 34 1HB PRO 34 -11.056 -2.088 7.268 235 HG2 PRO 34 2HG PRO 34 -13.038 -3.295 9.155 236 HG3 PRO 34 1HG PRO 34 -11.737 -2.141 9.485 237 HD2 PRO 34 2HD PRO 34 -14.265 -1.330 9.318 238 HD3 PRO 34 1HD PRO 34 -12.951 -0.344 8.643 239 H ALA 35 H ALA 35 -12.284 -3.833 4.534 240 HA ALA 35 HA ALA 35 -14.756 -5.318 4.313 241 HB1 ALA 35 1HB ALA 35 -12.162 -5.599 2.785 242 HB2 ALA 35 2HB ALA 35 -13.553 -4.638 2.283 243 HB3 ALA 35 3HB ALA 35 -13.686 -6.393 2.388 244 H SER 36 H SER 36 -14.800 -7.657 4.398 245 HA SER 36 HA SER 36 -12.787 -8.702 6.225 246 HB2 SER 36 2HB SER 36 -15.008 -8.427 7.296 247 HB3 SER 36 1HB SER 36 -15.721 -9.443 6.046 248 HG SER 36 HG SER 36 -13.787 -10.148 7.981 249 H THR 37 H THR 37 -11.845 -10.544 5.645 250 HA THR 37 HA THR 37 -12.888 -12.169 3.517 251 HB THR 37 HB THR 37 -10.481 -12.261 2.570 252 HG1 THR 37 1HG THR 37 -10.304 -10.148 4.347 253 HG21 THR 37 3HG2 THR 37 -12.317 -11.221 1.306 254 HG22 THR 37 1HG2 THR 37 -10.813 -10.328 1.079 255 HG23 THR 37 2HG2 THR 37 -12.056 -9.705 2.165 256 H GLY 38 H GLY 38 -11.635 -14.264 3.501 257 HA2 GLY 38 2HA GLY 38 -10.772 -14.882 6.238 258 HA3 GLY 38 1HA GLY 38 -11.302 -16.057 5.038 259 H ALA 39 H ALA 39 -9.307 -13.601 3.963 260 HA ALA 39 HA ALA 39 -7.187 -15.470 3.404 261 HB1 ALA 39 1HB ALA 39 -7.606 -12.639 2.492 262 HB2 ALA 39 2HB ALA 39 -8.032 -14.112 1.613 263 HB3 ALA 39 3HB ALA 39 -6.339 -13.729 1.925 264 H GLU 40 H GLU 40 -7.804 -13.990 6.061 265 HA GLU 40 HA GLU 40 -5.658 -12.146 6.500 266 HB2 GLU 40 2HB GLU 40 -7.369 -13.478 8.581 267 HB3 GLU 40 1HB GLU 40 -6.513 -11.947 8.703 268 HG2 GLU 40 2HG GLU 40 -7.909 -11.031 6.941 269 HG3 GLU 40 1HG GLU 40 -8.810 -12.532 6.870 270 H ASN 41 H ASN 41 -5.513 -15.298 6.170 271 HA ASN 41 HA ASN 41 -3.461 -15.738 8.232 272 HB2 ASN 41 2HB ASN 41 -5.192 -17.518 7.923 273 HB3 ASN 41 1HB ASN 41 -4.652 -17.710 6.259 274 HD21 ASN 41 1HD2 ASN 41 -4.104 -19.848 6.559 275 HD22 ASN 41 2HD2 ASN 41 -2.738 -20.354 7.478 276 H LEU 42 H LEU 42 -3.926 -14.866 5.017 277 HA LEU 42 HA LEU 42 -2.710 -14.602 3.217 278 HB2 LEU 42 2HB LEU 42 -0.538 -14.400 5.263 279 HB3 LEU 42 1HB LEU 42 -0.211 -14.111 3.561 280 HG LEU 42 HG LEU 42 -0.404 -11.987 4.533 281 HD11 LEU 42 1HD1 LEU 42 -1.606 -12.109 2.482 282 HD12 LEU 42 2HD1 LEU 42 -2.359 -10.958 3.585 283 HD13 LEU 42 3HD1 LEU 42 -3.086 -12.544 3.339 284 HD21 LEU 42 3HD2 LEU 42 -1.343 -12.601 6.694 285 HD22 LEU 42 1HD2 LEU 42 -2.915 -12.882 5.947 286 HD23 LEU 42 2HD2 LEU 42 -2.238 -11.255 5.991 287 HA PRO 43 HA PRO 43 -2.070 -19.105 2.844 288 HB2 PRO 43 2HB PRO 43 -2.546 -19.064 0.108 289 HB3 PRO 43 1HB PRO 43 -3.778 -19.276 1.352 290 HG2 PRO 43 2HG PRO 43 -2.942 -16.778 -0.069 291 HG3 PRO 43 1HG PRO 43 -4.582 -17.357 0.278 292 HD2 PRO 43 2HD PRO 43 -3.501 -15.463 1.720 293 HD3 PRO 43 1HD PRO 43 -4.417 -16.748 2.534 294 H ALA 44 H ALA 44 -0.956 -16.947 0.262 295 HA ALA 44 HA ALA 44 1.415 -18.554 -0.157 296 HB1 ALA 44 1HB ALA 44 0.594 -15.962 -1.471 297 HB2 ALA 44 2HB ALA 44 0.232 -17.578 -2.077 298 HB3 ALA 44 3HB ALA 44 1.902 -17.022 -1.992 299 H GLY 45 H GLY 45 0.673 -16.401 2.134 300 HA2 GLY 45 2HA GLY 45 1.920 -15.203 3.638 301 HA3 GLY 45 1HA GLY 45 3.356 -15.846 2.857 302 H SER 46 H SER 46 1.333 -14.276 0.667 303 HA SER 46 HA SER 46 2.922 -11.813 0.854 304 HB2 SER 46 2HB SER 46 1.872 -13.049 -1.684 305 HB3 SER 46 1HB SER 46 3.045 -11.753 -1.514 306 HG SER 46 HG SER 46 4.444 -13.308 -0.469 307 H ALA 47 H ALA 47 1.813 -9.930 0.273 308 HA ALA 47 HA ALA 47 -1.020 -10.045 -0.323 309 HB1 ALA 47 1HB ALA 47 -1.557 -8.482 1.495 310 HB2 ALA 47 2HB ALA 47 0.108 -8.580 2.067 311 HB3 ALA 47 3HB ALA 47 -0.930 -10.003 2.133 312 H LEU 48 H LEU 48 -1.766 -7.845 -1.012 313 HA LEU 48 HA LEU 48 0.461 -6.172 -1.712 314 HB2 LEU 48 2HB LEU 48 -0.291 -5.985 -4.074 315 HB3 LEU 48 1HB LEU 48 0.363 -7.543 -3.652 316 HG LEU 48 HG LEU 48 -2.081 -8.317 -3.456 317 HD11 LEU 48 1HD1 LEU 48 -3.166 -6.153 -3.457 318 HD12 LEU 48 2HD1 LEU 48 -3.699 -7.126 -4.829 319 HD13 LEU 48 3HD1 LEU 48 -2.536 -5.821 -5.071 320 HD21 LEU 48 3HD2 LEU 48 -0.884 -7.572 -6.113 321 HD22 LEU 48 1HD2 LEU 48 -2.204 -8.722 -5.879 322 HD23 LEU 48 2HD2 LEU 48 -0.610 -9.055 -5.206 323 H LEU 49 H LEU 49 -0.118 -4.082 -2.357 324 HA LEU 49 HA LEU 49 -2.805 -3.411 -1.530 325 HB2 LEU 49 2HB LEU 49 -1.880 -1.213 -0.679 326 HB3 LEU 49 1HB LEU 49 -1.510 -2.628 0.270 327 HG LEU 49 HG LEU 49 0.777 -2.597 -0.903 328 HD11 LEU 49 1HD1 LEU 49 1.554 -0.406 -1.652 329 HD12 LEU 49 2HD1 LEU 49 -0.098 0.206 -1.525 330 HD13 LEU 49 3HD1 LEU 49 0.283 -1.062 -2.686 331 HD21 LEU 49 3HD2 LEU 49 0.019 -0.396 0.999 332 HD22 LEU 49 1HD2 LEU 49 1.658 -0.972 0.697 333 HD23 LEU 49 2HD2 LEU 49 0.466 -2.046 1.430 334 H VAL 50 H VAL 50 -3.922 -2.108 -2.736 335 HA VAL 50 HA VAL 50 -2.619 -1.237 -5.207 336 HB VAL 50 HB VAL 50 -4.138 -3.092 -5.681 337 HG11 VAL 50 1HG1 VAL 50 -5.649 -2.951 -3.832 338 HG12 VAL 50 2HG1 VAL 50 -6.572 -2.873 -5.339 339 HG13 VAL 50 3HG1 VAL 50 -6.260 -1.402 -4.407 340 HG21 VAL 50 3HG2 VAL 50 -3.954 -1.379 -7.401 341 HG22 VAL 50 1HG2 VAL 50 -5.262 -0.463 -6.652 342 HG23 VAL 50 2HG2 VAL 50 -5.595 -2.035 -7.373 343 H VAL 51 H VAL 51 -2.839 0.760 -5.821 344 HA VAL 51 HA VAL 51 -4.014 2.624 -3.936 345 HB VAL 51 HB VAL 51 -2.635 3.199 -6.567 346 HG11 VAL 51 1HG1 VAL 51 -2.130 5.375 -5.564 347 HG12 VAL 51 2HG1 VAL 51 -3.001 4.905 -4.107 348 HG13 VAL 51 3HG1 VAL 51 -3.869 5.085 -5.631 349 HG21 VAL 51 3HG2 VAL 51 -1.150 1.839 -5.214 350 HG22 VAL 51 1HG2 VAL 51 -1.366 2.921 -3.840 351 HG23 VAL 51 2HG2 VAL 51 -0.556 3.497 -5.292 352 H LYS 52 H LYS 52 -6.012 3.241 -4.122 353 HA LYS 52 HA LYS 52 -7.549 2.673 -6.556 354 HB2 LYS 52 2HB LYS 52 -8.408 3.528 -3.790 355 HB3 LYS 52 1HB LYS 52 -9.507 3.219 -5.121 356 HG2 LYS 52 2HG LYS 52 -7.644 1.162 -3.951 357 HG3 LYS 52 1HG LYS 52 -9.321 1.382 -3.455 358 HD2 LYS 52 2HD LYS 52 -10.019 0.933 -5.793 359 HD3 LYS 52 1HD LYS 52 -8.331 0.618 -6.201 360 HE2 LYS 52 2HE LYS 52 -8.266 -1.239 -4.631 361 HE3 LYS 52 1HE LYS 52 -9.902 -0.877 -4.102 362 HZ1 LYS 52 3HZ LYS 52 -9.168 -1.740 -6.857 363 HZ2 LYS 52 1HZ LYS 52 -10.722 -1.474 -6.276 364 HZ3 LYS 52 2HZ LYS 52 -9.812 -2.744 -5.670 365 H ARG 53 H ARG 53 -6.393 5.263 -4.608 366 HA ARG 53 HA ARG 53 -7.412 7.218 -6.515 367 HB2 ARG 53 2HB ARG 53 -9.023 7.328 -4.719 368 HB3 ARG 53 1HB ARG 53 -7.747 7.275 -3.515 369 HG2 ARG 53 2HG ARG 53 -7.003 9.506 -4.250 370 HG3 ARG 53 1HG ARG 53 -8.367 9.556 -5.372 371 HD2 ARG 53 2HD ARG 53 -9.944 9.514 -3.596 372 HD3 ARG 53 1HD ARG 53 -8.696 9.107 -2.416 373 HE ARG 53 HE ARG 53 -7.966 11.501 -3.567 374 HH11 ARG 53 1HH1 ARG 53 -10.762 10.394 -1.668 375 HH12 ARG 53 2HH1 ARG 53 -10.932 11.852 -0.815 376 HH21 ARG 53 1HH2 ARG 53 -8.188 13.489 -2.394 377 HH22 ARG 53 2HH2 ARG 53 -9.405 13.664 -1.231 378 H GLY 54 H GLY 54 -5.894 8.720 -6.955 379 HA2 GLY 54 2HA GLY 54 -4.132 10.063 -5.644 380 HA3 GLY 54 1HA GLY 54 -3.355 8.481 -5.550 381 HA PRO 55 HA PRO 55 -2.328 10.589 -9.644 382 HB2 PRO 55 2HB PRO 55 0.445 10.468 -8.636 383 HB3 PRO 55 1HB PRO 55 -0.414 11.822 -9.377 384 HG2 PRO 55 2HG PRO 55 0.155 11.839 -6.776 385 HG3 PRO 55 1HG PRO 55 -1.385 12.478 -7.372 386 HD2 PRO 55 2HD PRO 55 -0.806 9.815 -6.127 387 HD3 PRO 55 1HD PRO 55 -2.143 10.943 -5.798 388 H ASN 56 H ASN 56 -0.770 8.178 -7.689 389 HA ASN 56 HA ASN 56 0.044 6.655 -10.031 390 HB2 ASN 56 2HB ASN 56 1.372 5.332 -8.383 391 HB3 ASN 56 1HB ASN 56 1.798 7.037 -8.418 392 HD21 ASN 56 1HD2 ASN 56 0.479 4.484 -6.604 393 HD22 ASN 56 2HD2 ASN 56 0.374 5.310 -5.086 394 H ALA 57 H ALA 57 -2.746 6.932 -9.001 395 HA ALA 57 HA ALA 57 -3.600 4.544 -7.772 396 HB1 ALA 57 1HB ALA 57 -5.837 5.167 -8.508 397 HB2 ALA 57 2HB ALA 57 -5.148 6.376 -9.594 398 HB3 ALA 57 3HB ALA 57 -4.985 6.564 -7.849 399 H GLY 58 H GLY 58 -4.444 2.683 -8.615 400 HA2 GLY 58 2HA GLY 58 -5.092 1.262 -10.406 401 HA3 GLY 58 1HA GLY 58 -4.124 2.247 -11.499 402 H ALA 59 H ALA 59 -2.060 2.259 -9.253 403 HA ALA 59 HA ALA 59 -0.642 -0.067 -10.223 404 HB1 ALA 59 1HB ALA 59 1.279 0.877 -9.057 405 HB2 ALA 59 2HB ALA 59 0.248 2.104 -8.326 406 HB3 ALA 59 3HB ALA 59 0.511 2.102 -10.069 407 H ARG 60 H ARG 60 0.149 -1.694 -8.920 408 HA ARG 60 HA ARG 60 -0.933 -1.831 -6.211 409 HB2 ARG 60 2HB ARG 60 -1.258 -4.251 -6.477 410 HB3 ARG 60 1HB ARG 60 -2.198 -3.392 -7.686 411 HG2 ARG 60 2HG ARG 60 -0.614 -3.937 -9.399 412 HG3 ARG 60 1HG ARG 60 0.498 -4.614 -8.216 413 HD2 ARG 60 2HD ARG 60 -0.614 -6.403 -9.358 414 HD3 ARG 60 1HD ARG 60 -1.181 -6.343 -7.698 415 HE ARG 60 HE ARG 60 -3.178 -5.134 -8.654 416 HH11 ARG 60 1HH1 ARG 60 -1.303 -7.447 -10.599 417 HH12 ARG 60 2HH1 ARG 60 -2.619 -7.911 -11.556 418 HH21 ARG 60 1HH2 ARG 60 -4.991 -5.835 -9.951 419 HH22 ARG 60 2HH2 ARG 60 -4.771 -7.028 -11.148 420 H PHE 61 H PHE 61 0.498 -2.533 -4.717 421 HA PHE 61 HA PHE 61 3.179 -3.226 -5.699 422 HB2 PHE 61 2HB PHE 61 2.499 -1.626 -3.217 423 HB3 PHE 61 1HB PHE 61 4.113 -2.069 -3.758 424 HD1 PHE 61 1HD PHE 61 4.953 -1.130 -5.957 425 HD2 PHE 61 2HD PHE 61 1.465 0.339 -4.012 426 HE1 PHE 61 1HE PHE 61 5.099 0.947 -7.264 427 HE2 PHE 61 2HE PHE 61 1.605 2.411 -5.320 428 HZ PHE 61 HZ PHE 61 3.423 2.719 -6.946 429 H LEU 62 H LEU 62 4.118 -4.963 -4.714 430 HA LEU 62 HA LEU 62 2.255 -6.473 -3.048 431 HB2 LEU 62 2HB LEU 62 2.764 -7.355 -5.329 432 HB3 LEU 62 1HB LEU 62 4.437 -7.513 -4.867 433 HG LEU 62 HG LEU 62 2.280 -9.046 -3.407 434 HD11 LEU 62 1HD1 LEU 62 2.717 -10.907 -4.939 435 HD12 LEU 62 2HD1 LEU 62 3.757 -9.868 -5.911 436 HD13 LEU 62 3HD1 LEU 62 2.033 -9.525 -5.791 437 HD21 LEU 62 3HD2 LEU 62 4.512 -8.997 -2.393 438 HD22 LEU 62 1HD2 LEU 62 5.214 -9.561 -3.911 439 HD23 LEU 62 2HD2 LEU 62 4.125 -10.607 -3.006 440 H LEU 63 H LEU 63 2.801 -7.077 -1.090 441 HA LEU 63 HA LEU 63 5.472 -6.388 -0.154 442 HB2 LEU 63 2HB LEU 63 2.920 -6.785 1.408 443 HB3 LEU 63 1HB LEU 63 4.465 -6.290 2.069 444 HG LEU 63 HG LEU 63 2.703 -4.687 0.213 445 HD11 LEU 63 1HD1 LEU 63 3.438 -4.304 3.103 446 HD12 LEU 63 2HD1 LEU 63 1.861 -4.769 2.465 447 HD13 LEU 63 3HD1 LEU 63 2.515 -3.170 2.122 448 HD21 LEU 63 3HD2 LEU 63 4.315 -2.862 0.552 449 HD22 LEU 63 1HD2 LEU 63 5.039 -4.232 -0.288 450 HD23 LEU 63 2HD2 LEU 63 5.375 -3.973 1.421 451 H ASP 64 H ASP 64 6.718 -8.114 -0.303 452 HA ASP 64 HA ASP 64 5.988 -10.469 1.273 453 HB2 ASP 64 2HB ASP 64 5.410 -10.929 -1.151 454 HB3 ASP 64 1HB ASP 64 7.100 -10.670 -1.553 455 H GLN 65 H GLN 65 7.730 -8.069 1.255 456 HA GLN 65 HA GLN 65 10.320 -9.363 1.558 457 HB2 GLN 65 2HB GLN 65 11.357 -7.112 1.110 458 HB3 GLN 65 1HB GLN 65 10.690 -7.887 -0.289 459 HG2 GLN 65 2HG GLN 65 9.314 -5.703 1.274 460 HG3 GLN 65 1HG GLN 65 10.324 -5.414 -0.133 461 HE21 GLN 65 1HE2 GLN 65 7.559 -4.745 0.248 462 HE22 GLN 65 2HE2 GLN 65 6.688 -5.541 -1.022 463 HA PRO 66 HA PRO 66 10.332 -8.338 5.780 464 HB2 PRO 66 2HB PRO 66 13.035 -7.177 5.389 465 HB3 PRO 66 1HB PRO 66 12.492 -8.406 6.535 466 HG2 PRO 66 2HG PRO 66 13.899 -9.111 4.405 467 HG3 PRO 66 1HG PRO 66 12.523 -10.092 4.945 468 HD2 PRO 66 2HD PRO 66 12.695 -8.179 2.657 469 HD3 PRO 66 1HD PRO 66 11.865 -9.747 2.770 470 H THR 67 H THR 67 11.313 -5.730 3.593 471 HA THR 67 HA THR 67 10.028 -3.866 5.411 472 HB THR 67 HB THR 67 12.946 -3.462 4.650 473 HG1 THR 67 1HG THR 67 11.698 -4.675 6.767 474 HG21 THR 67 3HG2 THR 67 12.838 -1.532 6.190 475 HG22 THR 67 1HG2 THR 67 11.125 -1.849 6.462 476 HG23 THR 67 2HG2 THR 67 11.682 -1.345 4.869 477 H THR 68 H THR 68 8.953 -2.368 4.298 478 HA THR 68 HA THR 68 9.909 -1.575 1.650 479 HB THR 68 HB THR 68 7.026 -2.087 2.439 480 HG1 THR 68 1HG THR 68 9.017 -3.659 1.622 481 HG21 THR 68 3HG2 THR 68 7.381 -0.339 0.681 482 HG22 THR 68 1HG2 THR 68 6.557 -1.778 0.068 483 HG23 THR 68 2HG2 THR 68 8.266 -1.544 -0.263 484 H THR 69 H THR 69 10.437 0.555 1.893 485 HA THR 69 HA THR 69 9.061 2.172 3.856 486 HB THR 69 HB THR 69 11.259 2.932 1.902 487 HG1 THR 69 1HG THR 69 12.324 1.554 3.090 488 HG21 THR 69 3HG2 THR 69 11.739 4.715 3.532 489 HG22 THR 69 1HG2 THR 69 10.398 4.166 4.538 490 HG23 THR 69 2HG2 THR 69 10.083 4.846 2.941 491 H ALA 70 H ALA 70 7.450 3.687 3.327 492 HA ALA 70 HA ALA 70 6.861 3.976 0.473 493 HB1 ALA 70 1HB ALA 70 4.515 4.151 1.102 494 HB2 ALA 70 2HB ALA 70 4.949 3.908 2.796 495 HB3 ALA 70 3HB ALA 70 5.218 2.618 1.621 496 H GLY 71 H GLY 71 6.441 5.949 -0.286 497 HA2 GLY 71 2HA GLY 71 5.529 8.199 0.801 498 HA3 GLY 71 1HA GLY 71 7.247 8.219 1.233 499 H ARG 72 H ARG 72 7.380 10.081 -0.261 500 HA ARG 72 HA ARG 72 7.650 9.012 -2.985 501 HB2 ARG 72 2HB ARG 72 5.884 10.732 -2.911 502 HB3 ARG 72 1HB ARG 72 7.045 11.882 -2.252 503 HG2 ARG 72 2HG ARG 72 8.388 11.724 -4.270 504 HG3 ARG 72 1HG ARG 72 7.280 10.534 -4.937 505 HD2 ARG 72 2HD ARG 72 6.849 12.677 -5.913 506 HD3 ARG 72 1HD ARG 72 5.489 12.243 -4.897 507 HE ARG 72 HE ARG 72 7.024 13.734 -3.255 508 HH11 ARG 72 1HH1 ARG 72 5.465 14.217 -6.394 509 HH12 ARG 72 2HH1 ARG 72 5.588 15.915 -6.356 510 HH21 ARG 72 1HH2 ARG 72 7.092 16.069 -3.139 511 HH22 ARG 72 2HH2 ARG 72 6.536 17.007 -4.442 512 H HIS 73 H HIS 73 9.646 8.694 -3.411 513 HA HIS 73 HA HIS 73 11.521 10.494 -4.054 514 HB2 HIS 73 2HB HIS 73 11.485 10.590 -1.263 515 HB3 HIS 73 1HB HIS 73 12.659 9.308 -1.545 516 HD1 HIS 73 1HD HIS 73 14.897 10.603 -1.006 517 HD2 HIS 73 2HD HIS 73 12.349 12.619 -3.626 518 HE1 HIS 73 1HE HIS 73 16.188 12.523 -1.917 519 HA PRO 74 HA PRO 74 12.942 6.458 -5.495 520 HB2 PRO 74 2HB PRO 74 15.684 6.759 -5.504 521 HB3 PRO 74 1HB PRO 74 14.618 7.331 -6.789 522 HG2 PRO 74 2HG PRO 74 15.815 8.844 -4.503 523 HG3 PRO 74 1HG PRO 74 15.616 9.341 -6.194 524 HD2 PRO 74 2HD PRO 74 13.980 10.220 -4.279 525 HD3 PRO 74 1HD PRO 74 13.376 9.851 -5.906 526 H GLU 75 H GLU 75 13.816 7.721 -2.512 527 HA GLU 75 HA GLU 75 15.285 5.446 -1.533 528 HB2 GLU 75 2HB GLU 75 14.150 7.810 -0.045 529 HB3 GLU 75 1HB GLU 75 15.331 6.657 0.572 530 HG2 GLU 75 2HG GLU 75 16.918 7.356 -1.140 531 HG3 GLU 75 1HG GLU 75 15.741 8.514 -1.754 532 H SER 76 H SER 76 12.035 6.254 -1.981 533 HA SER 76 HA SER 76 11.047 4.512 0.073 534 HB2 SER 76 2HB SER 76 9.618 5.807 -2.273 535 HB3 SER 76 1HB SER 76 8.890 5.202 -0.785 536 HG SER 76 HG SER 76 9.952 6.898 0.363 537 H ASP 77 H ASP 77 10.184 2.437 -0.460 538 HA ASP 77 HA ASP 77 11.540 1.166 -2.672 539 HB2 ASP 77 2HB ASP 77 11.276 -0.011 -0.513 540 HB3 ASP 77 1HB ASP 77 9.531 -0.012 -0.756 541 H ILE 78 H ILE 78 8.281 1.906 -1.751 542 HA ILE 78 HA ILE 78 7.514 1.336 -4.478 543 HB ILE 78 HB ILE 78 5.180 0.981 -3.680 544 HG12 ILE 78 2HG1 ILE 78 5.032 0.374 -1.112 545 HG13 ILE 78 1HG1 ILE 78 6.374 1.497 -0.963 546 HG21 ILE 78 1HG2 ILE 78 7.257 -0.769 -2.426 547 HG22 ILE 78 2HG2 ILE 78 6.526 -0.938 -4.025 548 HG23 ILE 78 3HG2 ILE 78 5.556 -1.194 -2.570 549 HD11 ILE 78 3HD1 ILE 78 4.254 2.565 -0.485 550 HD12 ILE 78 1HD1 ILE 78 3.659 2.130 -2.088 551 HD13 ILE 78 2HD1 ILE 78 5.009 3.257 -1.922 552 H PHE 79 H PHE 79 6.584 2.937 -5.637 553 HA PHE 79 HA PHE 79 7.104 5.511 -4.421 554 HB2 PHE 79 2HB PHE 79 8.221 4.897 -6.564 555 HB3 PHE 79 1HB PHE 79 6.642 4.884 -7.336 556 HD1 PHE 79 1HD PHE 79 9.225 6.983 -5.803 557 HD2 PHE 79 2HD PHE 79 5.513 6.954 -7.890 558 HE1 PHE 79 1HE PHE 79 9.459 9.389 -6.240 559 HE2 PHE 79 2HE PHE 79 5.743 9.360 -8.329 560 HZ PHE 79 HZ PHE 79 7.712 10.582 -7.508 561 H LEU 80 H LEU 80 5.550 6.582 -3.615 562 HA LEU 80 HA LEU 80 2.884 6.629 -4.895 563 HB2 LEU 80 2HB LEU 80 3.663 7.357 -2.054 564 HB3 LEU 80 1HB LEU 80 2.047 7.340 -2.727 565 HG LEU 80 HG LEU 80 3.752 4.909 -2.211 566 HD11 LEU 80 1HD1 LEU 80 2.158 4.453 -0.416 567 HD12 LEU 80 2HD1 LEU 80 1.347 5.983 -0.749 568 HD13 LEU 80 3HD1 LEU 80 3.007 5.977 -0.157 569 HD21 LEU 80 3HD2 LEU 80 0.877 5.143 -3.102 570 HD22 LEU 80 1HD2 LEU 80 1.713 3.647 -2.691 571 HD23 LEU 80 2HD2 LEU 80 2.226 4.585 -4.091 572 H ASP 81 H ASP 81 2.230 8.708 -5.445 573 HA ASP 81 HA ASP 81 4.400 10.642 -5.205 574 HB2 ASP 81 2HB ASP 81 3.508 10.505 -7.450 575 HB3 ASP 81 1HB ASP 81 1.870 10.761 -6.873 576 H ASP 82 H ASP 82 4.434 11.942 -3.595 577 HA ASP 82 HA ASP 82 2.027 12.450 -2.046 578 HB2 ASP 82 2HB ASP 82 3.928 11.603 -0.759 579 HB3 ASP 82 1HB ASP 82 4.975 12.851 -1.417 580 H VAL 83 H VAL 83 1.963 14.680 -1.109 581 HA VAL 83 HA VAL 83 1.812 16.532 -3.299 582 HB VAL 83 HB VAL 83 1.302 17.000 -0.339 583 HG11 VAL 83 1HG1 VAL 83 -0.033 18.927 -1.058 584 HG12 VAL 83 2HG1 VAL 83 0.456 18.641 -2.726 585 HG13 VAL 83 3HG1 VAL 83 1.660 19.097 -1.521 586 HG21 VAL 83 3HG2 VAL 83 -1.072 16.716 -0.882 587 HG22 VAL 83 1HG2 VAL 83 -0.151 15.254 -1.229 588 HG23 VAL 83 2HG2 VAL 83 -0.646 16.319 -2.544 589 H THR 84 H THR 84 4.042 15.902 -0.663 590 HA THR 84 HA THR 84 5.722 18.038 -1.668 591 HB THR 84 HB THR 84 4.496 18.997 0.227 592 HG1 THR 84 1HG THR 84 6.393 19.354 1.692 593 HG21 THR 84 3HG2 THR 84 3.920 16.948 1.409 594 HG22 THR 84 1HG2 THR 84 4.715 18.076 2.510 595 HG23 THR 84 2HG2 THR 84 5.607 16.702 1.848 596 H VAL 85 H VAL 85 7.593 17.525 0.553 597 HA VAL 85 HA VAL 85 8.697 15.042 -0.485 598 HB VAL 85 HB VAL 85 10.000 17.074 1.346 599 HG11 VAL 85 1HG1 VAL 85 11.188 14.716 -0.121 600 HG12 VAL 85 2HG1 VAL 85 10.959 14.849 1.624 601 HG13 VAL 85 3HG1 VAL 85 12.099 15.913 0.801 602 HG21 VAL 85 3HG2 VAL 85 11.292 17.727 -0.638 603 HG22 VAL 85 1HG2 VAL 85 9.562 17.999 -0.863 604 HG23 VAL 85 2HG2 VAL 85 10.344 16.603 -1.605 605 H SER 86 H SER 86 7.551 13.511 0.515 606 HA SER 86 HA SER 86 8.157 13.228 3.343 607 HB2 SER 86 2HB SER 86 5.735 12.127 1.872 608 HB3 SER 86 1HB SER 86 6.100 11.898 3.583 609 HG SER 86 HG SER 86 5.085 14.061 2.222 610 H ARG 87 H ARG 87 10.085 12.322 2.778 611 HA ARG 87 HA ARG 87 10.388 10.184 0.989 612 HB2 ARG 87 2HB ARG 87 12.563 9.768 2.430 613 HB3 ARG 87 1HB ARG 87 12.427 11.151 1.361 614 HG2 ARG 87 2HG ARG 87 11.880 12.588 3.248 615 HG3 ARG 87 1HG ARG 87 11.930 11.194 4.336 616 HD2 ARG 87 2HD ARG 87 14.220 10.957 4.119 617 HD3 ARG 87 1HD ARG 87 14.271 11.868 2.614 618 HE ARG 87 HE ARG 87 13.586 13.792 4.154 619 HH11 ARG 87 1HH1 ARG 87 15.406 11.206 5.617 620 HH12 ARG 87 2HH1 ARG 87 16.736 12.150 6.140 621 HH21 ARG 87 1HH2 ARG 87 15.444 15.189 4.840 622 HH22 ARG 87 2HH2 ARG 87 16.748 14.494 5.671 623 H ARG 88 H ARG 88 9.972 10.150 4.494 624 HA ARG 88 HA ARG 88 9.076 7.383 4.135 625 HB2 ARG 88 2HB ARG 88 10.122 8.664 6.672 626 HB3 ARG 88 1HB ARG 88 9.439 7.063 6.548 627 HG2 ARG 88 2HG ARG 88 11.379 6.490 5.033 628 HG3 ARG 88 1HG ARG 88 12.085 8.040 5.523 629 HD2 ARG 88 2HD ARG 88 11.773 7.344 7.908 630 HD3 ARG 88 1HD ARG 88 11.290 5.757 7.330 631 HE ARG 88 HE ARG 88 13.863 6.710 6.445 632 HH11 ARG 88 1HH1 ARG 88 12.110 4.475 8.657 633 HH12 ARG 88 2HH1 ARG 88 13.537 3.858 9.309 634 HH21 ARG 88 1HH2 ARG 88 15.799 5.804 7.427 635 HH22 ARG 88 2HH2 ARG 88 15.654 4.615 8.655 636 H HIS 89 H HIS 89 6.889 7.543 3.996 637 HA HIS 89 HA HIS 89 5.652 9.311 5.963 638 HB2 HIS 89 2HB HIS 89 4.810 9.516 3.612 639 HB3 HIS 89 1HB HIS 89 4.304 7.830 3.675 640 HD2 HIS 89 2HD HIS 89 3.559 10.583 6.423 641 HE1 HIS 89 1HE HIS 89 -0.057 9.040 4.902 642 HE2 HIS 89 2HE HIS 89 1.020 10.208 6.807 643 H ALA 90 H ALA 90 5.538 6.018 4.751 644 HA ALA 90 HA ALA 90 5.037 5.120 7.467 645 HB1 ALA 90 1HB ALA 90 3.377 4.287 5.078 646 HB2 ALA 90 2HB ALA 90 2.818 5.268 6.430 647 HB3 ALA 90 3HB ALA 90 3.278 3.583 6.693 648 H GLU 91 H GLU 91 5.870 3.059 7.790 649 HA GLU 91 HA GLU 91 7.080 1.898 5.433 650 HB2 GLU 91 2HB GLU 91 8.994 1.052 6.823 651 HB3 GLU 91 1HB GLU 91 8.968 2.784 6.589 652 HG2 GLU 91 2HG GLU 91 8.084 3.069 8.857 653 HG3 GLU 91 1HG GLU 91 8.121 1.315 9.077 654 H PHE 92 H PHE 92 6.904 -0.163 5.117 655 HA PHE 92 HA PHE 92 4.997 -1.535 6.866 656 HB2 PHE 92 2HB PHE 92 5.732 -2.029 3.964 657 HB3 PHE 92 1HB PHE 92 4.543 -2.932 4.883 658 HD1 PHE 92 1HD PHE 92 5.292 0.280 3.252 659 HD2 PHE 92 2HD PHE 92 2.380 -2.056 5.268 660 HE1 PHE 92 1HE PHE 92 3.539 1.852 2.528 661 HE2 PHE 92 2HE PHE 92 0.620 -0.486 4.558 662 HZ PHE 92 HZ PHE 92 1.203 1.471 3.182 663 H ARG 93 H ARG 93 5.784 -3.176 7.965 664 HA ARG 93 HA ARG 93 8.321 -4.347 7.072 665 HB2 ARG 93 2HB ARG 93 7.253 -4.097 9.891 666 HB3 ARG 93 1HB ARG 93 8.757 -4.884 9.435 667 HG2 ARG 93 2HG ARG 93 9.651 -2.776 8.640 668 HG3 ARG 93 1HG ARG 93 8.130 -1.970 9.020 669 HD2 ARG 93 2HD ARG 93 8.432 -2.504 11.374 670 HD3 ARG 93 1HD ARG 93 9.941 -3.336 11.002 671 HE ARG 93 HE ARG 93 9.932 -0.635 10.064 672 HH11 ARG 93 1HH1 ARG 93 10.377 -2.560 12.985 673 HH12 ARG 93 2HH1 ARG 93 11.447 -1.460 13.718 674 HH21 ARG 93 1HH2 ARG 93 11.264 0.825 10.990 675 HH22 ARG 93 2HH2 ARG 93 11.976 0.596 12.544 676 H ILE 94 H ILE 94 8.265 -6.429 6.627 677 HA ILE 94 HA ILE 94 5.891 -7.939 7.438 678 HB ILE 94 HB ILE 94 7.416 -8.224 4.812 679 HG12 ILE 94 2HG1 ILE 94 5.124 -7.670 3.770 680 HG13 ILE 94 1HG1 ILE 94 4.664 -7.078 5.355 681 HG21 ILE 94 1HG2 ILE 94 5.710 -9.872 4.181 682 HG22 ILE 94 2HG2 ILE 94 5.005 -9.740 5.792 683 HG23 ILE 94 3HG2 ILE 94 6.640 -10.369 5.597 684 HD11 ILE 94 3HD1 ILE 94 6.883 -5.999 3.619 685 HD12 ILE 94 1HD1 ILE 94 6.451 -5.397 5.220 686 HD13 ILE 94 2HD1 ILE 94 5.305 -5.256 3.888 687 H ASN 95 H ASN 95 6.552 -9.397 8.847 688 HA ASN 95 HA ASN 95 9.029 -10.808 8.275 689 HB2 ASN 95 2HB ASN 95 9.769 -10.733 10.622 690 HB3 ASN 95 1HB ASN 95 9.673 -9.115 9.947 691 HD21 ASN 95 1HD2 ASN 95 8.476 -11.299 12.382 692 HD22 ASN 95 2HD2 ASN 95 7.446 -10.158 13.159 693 H GLU 96 H GLU 96 8.866 -12.850 8.446 694 HA GLU 96 HA GLU 96 8.095 -14.958 8.818 695 HB2 GLU 96 2HB GLU 96 7.105 -13.709 11.382 696 HB3 GLU 96 1HB GLU 96 7.397 -15.427 11.108 697 HG2 GLU 96 2HG GLU 96 9.741 -15.024 10.779 698 HG3 GLU 96 1HG GLU 96 9.496 -13.288 10.914 699 H GLY 97 H GLY 97 6.409 -13.251 7.324 700 HA2 GLY 97 2HA GLY 97 4.405 -13.633 6.210 701 HA3 GLY 97 1HA GLY 97 3.996 -14.825 7.434 702 H GLU 98 H GLU 98 4.858 -12.014 9.032 703 HA GLU 98 HA GLU 98 2.055 -11.228 9.175 704 HB2 GLU 98 2HB GLU 98 4.229 -10.795 11.235 705 HB3 GLU 98 1HB GLU 98 2.520 -10.416 11.427 706 HG2 GLU 98 2HG GLU 98 2.065 -12.869 11.053 707 HG3 GLU 98 1HG GLU 98 3.793 -13.125 11.199 708 H PHE 99 H PHE 99 1.510 -9.114 8.991 709 HA PHE 99 HA PHE 99 3.550 -7.404 7.722 710 HB2 PHE 99 2HB PHE 99 0.561 -7.577 7.218 711 HB3 PHE 99 1HB PHE 99 1.654 -6.452 6.433 712 HD1 PHE 99 2HD PHE 99 1.190 -10.142 6.919 713 HD2 PHE 99 1HD PHE 99 2.450 -7.006 4.340 714 HE1 PHE 99 2HE PHE 99 1.560 -11.776 5.124 715 HE2 PHE 99 1HE PHE 99 2.812 -8.639 2.538 716 HZ PHE 99 HZ PHE 99 2.370 -11.025 2.930 717 H GLU 100 H GLU 100 3.981 -5.597 8.925 718 HA GLU 100 HA GLU 100 1.749 -4.436 10.440 719 HB2 GLU 100 2HB GLU 100 3.318 -3.643 12.131 720 HB3 GLU 100 1HB GLU 100 3.436 -5.390 11.981 721 HG2 GLU 100 2HG GLU 100 5.469 -5.198 10.723 722 HG3 GLU 100 1HG GLU 100 5.314 -3.442 10.680 723 H VAL 101 H VAL 101 1.565 -2.221 10.395 724 HA VAL 101 HA VAL 101 3.241 -0.825 8.407 725 HB VAL 101 HB VAL 101 0.453 -0.074 9.347 726 HG11 VAL 101 1HG1 VAL 101 2.099 0.977 7.051 727 HG12 VAL 101 2HG1 VAL 101 1.742 1.822 8.556 728 HG13 VAL 101 3HG1 VAL 101 0.441 1.449 7.426 729 HG21 VAL 101 3HG2 VAL 101 -0.366 -0.848 7.175 730 HG22 VAL 101 1HG2 VAL 101 0.338 -2.159 8.122 731 HG23 VAL 101 2HG2 VAL 101 1.249 -1.446 6.790 732 H VAL 102 H VAL 102 4.531 0.671 9.315 733 HA VAL 102 HA VAL 102 3.705 1.778 11.906 734 HB VAL 102 HB VAL 102 6.542 1.525 10.837 735 HG11 VAL 102 1HG1 VAL 102 7.232 2.155 13.112 736 HG12 VAL 102 2HG1 VAL 102 5.539 2.390 13.547 737 HG13 VAL 102 3HG1 VAL 102 6.287 3.420 12.326 738 HG21 VAL 102 3HG2 VAL 102 6.876 -0.208 12.544 739 HG22 VAL 102 1HG2 VAL 102 5.630 -0.674 11.386 740 HG23 VAL 102 2HG2 VAL 102 5.174 -0.094 12.988 741 H ASP 103 H ASP 103 3.289 3.883 11.863 742 HA ASP 103 HA ASP 103 3.730 5.455 9.478 743 HB2 ASP 103 2HB ASP 103 1.608 5.660 10.768 744 HB3 ASP 103 1HB ASP 103 2.532 6.172 12.163 745 H VAL 104 H VAL 104 5.442 6.606 9.206 746 HA VAL 104 HA VAL 104 6.996 7.349 11.558 747 HB VAL 104 HB VAL 104 9.055 7.315 10.028 748 HG11 VAL 104 1HG1 VAL 104 8.660 5.632 11.754 749 HG12 VAL 104 2HG1 VAL 104 9.336 4.879 10.307 750 HG13 VAL 104 3HG1 VAL 104 7.615 4.733 10.654 751 HG21 VAL 104 3HG2 VAL 104 7.187 5.637 8.358 752 HG22 VAL 104 1HG2 VAL 104 8.921 5.817 8.101 753 HG23 VAL 104 2HG2 VAL 104 7.842 7.207 7.898 754 H GLY 105 H GLY 105 5.220 8.440 9.003 755 HA2 GLY 105 2HA GLY 105 6.524 11.058 9.065 756 HA3 GLY 105 1HA GLY 105 5.475 10.469 7.770 757 H SER 106 H SER 106 5.244 10.361 11.247 758 HA SER 106 HA SER 106 2.477 10.627 11.304 759 HB2 SER 106 2HB SER 106 2.909 10.835 13.798 760 HB3 SER 106 1HB SER 106 3.503 9.380 12.997 761 HG SER 106 HG SER 106 5.367 9.891 13.701 762 H LEU 107 H LEU 107 4.687 12.997 10.758 763 HA LEU 107 HA LEU 107 3.360 15.154 12.087 764 HB2 LEU 107 2HB LEU 107 5.254 15.193 9.729 765 HB3 LEU 107 1HB LEU 107 4.708 16.610 10.604 766 HG LEU 107 HG LEU 107 6.428 14.397 11.722 767 HD11 LEU 107 1HD1 LEU 107 8.159 16.111 11.802 768 HD12 LEU 107 2HD1 LEU 107 7.061 17.257 11.038 769 HD13 LEU 107 3HD1 LEU 107 7.604 15.834 10.151 770 HD21 LEU 107 3HD2 LEU 107 5.450 16.955 12.997 771 HD22 LEU 107 1HD2 LEU 107 6.642 15.855 13.689 772 HD23 LEU 107 2HD2 LEU 107 4.984 15.313 13.453 773 H ASN 108 H ASN 108 2.991 13.426 9.083 774 HA ASN 108 HA ASN 108 0.795 15.246 8.330 775 HB2 ASN 108 2HB ASN 108 2.241 13.109 6.731 776 HB3 ASN 108 1HB ASN 108 0.803 13.944 6.160 777 HD21 ASN 108 1HD2 ASN 108 3.526 13.877 5.036 778 HD22 ASN 108 2HD2 ASN 108 4.014 15.522 4.967 779 H GLY 109 H GLY 109 1.656 12.130 9.486 780 HA2 GLY 109 2HA GLY 109 0.345 10.658 10.651 781 HA3 GLY 109 1HA GLY 109 -1.064 11.609 10.223 782 H THR 110 H THR 110 0.450 8.700 9.772 783 HA THR 110 HA THR 110 -0.864 8.177 7.246 784 HB THR 110 HB THR 110 0.546 6.290 9.175 785 HG1 THR 110 1HG THR 110 2.154 7.491 8.289 786 HG21 THR 110 3HG2 THR 110 -1.072 5.088 7.760 787 HG22 THR 110 1HG2 THR 110 0.581 4.684 7.296 788 HG23 THR 110 2HG2 THR 110 -0.361 5.812 6.320 789 H TYR 111 H TYR 111 -2.837 7.048 7.022 790 HA TYR 111 HA TYR 111 -4.282 6.647 9.543 791 HB2 TYR 111 2HB TYR 111 -5.373 7.611 6.897 792 HB3 TYR 111 1HB TYR 111 -6.333 7.336 8.353 793 HD1 TYR 111 2HD TYR 111 -6.065 8.879 10.278 794 HD2 TYR 111 1HD TYR 111 -4.092 9.582 6.584 795 HE1 TYR 111 2HE TYR 111 -5.621 11.199 10.959 796 HE2 TYR 111 1HE TYR 111 -3.643 11.899 7.253 797 HH TYR 111 HH TYR 111 -4.479 13.546 8.766 798 H VAL 112 H VAL 112 -5.113 4.713 9.819 799 HA VAL 112 HA VAL 112 -5.238 2.885 7.515 800 HB VAL 112 HB VAL 112 -4.852 2.179 10.461 801 HG11 VAL 112 1HG1 VAL 112 -6.087 0.455 9.279 802 HG12 VAL 112 2HG1 VAL 112 -4.463 -0.119 9.659 803 HG13 VAL 112 3HG1 VAL 112 -4.855 0.408 8.021 804 HG21 VAL 112 3HG2 VAL 112 -2.863 2.036 8.189 805 HG22 VAL 112 1HG2 VAL 112 -2.588 1.448 9.830 806 HG23 VAL 112 2HG2 VAL 112 -2.821 3.173 9.536 807 H ASN 113 H ASN 113 -7.237 2.373 7.014 808 HA ASN 113 HA ASN 113 -9.472 2.350 6.928 809 HB2 ASN 113 2HB ASN 113 -9.049 1.338 9.745 810 HB3 ASN 113 1HB ASN 113 -10.656 1.446 9.032 811 HD21 ASN 113 1HD2 ASN 113 -9.147 -0.920 9.878 812 HD22 ASN 113 2HD2 ASN 113 -9.007 -1.919 8.487 813 H ARG 114 H ARG 114 -8.323 4.762 7.360 814 HA ARG 114 HA ARG 114 -8.847 6.921 7.655 815 HB2 ARG 114 2HB ARG 114 -11.579 5.730 8.020 816 HB3 ARG 114 1HB ARG 114 -11.312 7.468 8.108 817 HG2 ARG 114 2HG ARG 114 -10.642 7.602 5.881 818 HG3 ARG 114 1HG ARG 114 -10.349 5.868 5.776 819 HD2 ARG 114 2HD ARG 114 -13.060 7.107 6.165 820 HD3 ARG 114 1HD ARG 114 -12.397 6.651 4.594 821 HE ARG 114 HE ARG 114 -13.343 4.892 6.694 822 HH11 ARG 114 1HH1 ARG 114 -11.675 5.173 3.593 823 HH12 ARG 114 2HH1 ARG 114 -11.900 3.548 3.138 824 HH21 ARG 114 1HH2 ARG 114 -13.722 2.584 6.009 825 HH22 ARG 114 2HH2 ARG 114 -13.023 2.070 4.534 826 H GLU 115 H GLU 115 -8.111 5.118 9.968 827 HA GLU 115 HA GLU 115 -8.762 7.066 12.046 828 HB2 GLU 115 2HB GLU 115 -7.816 4.216 12.382 829 HB3 GLU 115 1HB GLU 115 -8.302 5.314 13.662 830 HG2 GLU 115 2HG GLU 115 -10.576 5.340 12.651 831 HG3 GLU 115 1HG GLU 115 -10.042 4.066 11.560 832 HA PRO 116 HA PRO 116 -4.372 7.955 11.740 833 HB2 PRO 116 2HB PRO 116 -4.154 9.325 14.119 834 HB3 PRO 116 1HB PRO 116 -4.744 10.062 12.631 835 HG2 PRO 116 2HG PRO 116 -6.277 9.022 14.964 836 HG3 PRO 116 1HG PRO 116 -6.593 10.450 13.963 837 HD2 PRO 116 2HD PRO 116 -7.955 8.116 13.717 838 HD3 PRO 116 1HD PRO 116 -7.677 9.217 12.350 839 H ARG 117 H ARG 117 -2.851 6.467 12.241 840 HA ARG 117 HA ARG 117 -2.847 5.333 14.908 841 HB2 ARG 117 2HB ARG 117 -4.284 3.953 13.257 842 HB3 ARG 117 1HB ARG 117 -2.766 3.561 12.469 843 HG2 ARG 117 2HG ARG 117 -3.336 1.774 13.923 844 HG3 ARG 117 1HG ARG 117 -1.965 2.629 14.636 845 HD2 ARG 117 2HD ARG 117 -3.604 2.091 16.351 846 HD3 ARG 117 1HD ARG 117 -3.525 3.836 16.133 847 HE ARG 117 HE ARG 117 -5.585 2.438 14.631 848 HH11 ARG 117 1HH1 ARG 117 -4.852 4.305 17.577 849 HH12 ARG 117 2HH1 ARG 117 -6.474 4.733 17.830 850 HH21 ARG 117 1HH2 ARG 117 -7.778 3.005 15.054 851 HH22 ARG 117 2HH2 ARG 117 -8.178 3.966 16.403 852 H ASN 118 H ASN 118 -0.764 4.838 15.528 853 HA ASN 118 HA ASN 118 1.340 5.827 13.794 854 HB2 ASN 118 2HB ASN 118 1.469 4.777 16.623 855 HB3 ASN 118 1HB ASN 118 2.819 5.478 15.747 856 HD21 ASN 118 1HD2 ASN 118 1.556 6.241 18.216 857 HD22 ASN 118 2HD2 ASN 118 1.030 7.872 18.044 858 H ALA 119 H ALA 119 0.321 2.823 15.270 859 HA ALA 119 HA ALA 119 1.921 1.380 13.322 860 HB1 ALA 119 1HB ALA 119 2.024 0.823 16.299 861 HB2 ALA 119 2HB ALA 119 3.346 1.462 15.325 862 HB3 ALA 119 3HB ALA 119 2.757 -0.177 15.045 863 H GLN 120 H GLN 120 0.850 -0.373 12.610 864 HA GLN 120 HA GLN 120 -1.428 -1.387 14.138 865 HB2 GLN 120 2HB GLN 120 -1.892 0.599 12.317 866 HB3 GLN 120 1HB GLN 120 -2.021 -0.811 11.285 867 HG2 GLN 120 2HG GLN 120 -3.664 -0.270 13.766 868 HG3 GLN 120 1HG GLN 120 -4.207 -0.085 12.104 869 HE21 GLN 120 1HE2 GLN 120 -4.680 -1.955 10.906 870 HE22 GLN 120 2HE2 GLN 120 -4.855 -3.480 11.662 871 H VAL 121 H VAL 121 -1.848 -3.524 13.606 872 HA VAL 121 HA VAL 121 0.097 -4.838 11.880 873 HB VAL 121 HB VAL 121 -2.102 -6.016 13.637 874 HG11 VAL 121 1HG1 VAL 121 -0.939 -8.145 13.345 875 HG12 VAL 121 2HG1 VAL 121 0.209 -7.374 12.248 876 HG13 VAL 121 3HG1 VAL 121 -1.492 -7.502 11.799 877 HG21 VAL 121 3HG2 VAL 121 -0.409 -4.902 14.984 878 HG22 VAL 121 1HG2 VAL 121 0.863 -5.792 14.148 879 HG23 VAL 121 2HG2 VAL 121 -0.286 -6.652 15.169 880 H MET 122 H MET 122 -0.522 -5.540 9.821 881 HA MET 122 HA MET 122 -2.902 -4.185 9.029 882 HB2 MET 122 2HB MET 122 -0.521 -4.068 8.048 883 HB3 MET 122 1HB MET 122 -1.013 -5.520 7.182 884 HG2 MET 122 2HG MET 122 -1.422 -3.508 5.901 885 HG3 MET 122 1HG MET 122 -2.916 -4.378 6.283 886 HE1 MET 122 3HE MET 122 -4.249 -2.409 5.725 887 HE2 MET 122 1HE MET 122 -2.836 -1.427 5.365 888 HE3 MET 122 2HE MET 122 -4.123 -0.768 6.409 889 H GLN 123 H GLN 123 -4.702 -5.038 8.343 890 HA GLN 123 HA GLN 123 -4.983 -7.903 8.097 891 HB2 GLN 123 2HB GLN 123 -6.293 -7.048 9.841 892 HB3 GLN 123 1HB GLN 123 -6.655 -5.579 8.956 893 HG2 GLN 123 2HG GLN 123 -8.077 -6.882 7.448 894 HG3 GLN 123 1HG GLN 123 -7.704 -8.305 8.430 895 HE21 GLN 123 1HE2 GLN 123 -9.204 -5.128 8.474 896 HE22 GLN 123 2HE2 GLN 123 -10.282 -5.454 9.781 897 H THR 124 H THR 124 -5.861 -8.675 6.226 898 HA THR 124 HA THR 124 -5.843 -7.072 3.894 899 HB THR 124 HB THR 124 -5.373 -9.374 3.533 900 HG1 THR 124 1HG THR 124 -8.010 -9.487 2.642 901 HG21 THR 124 3HG2 THR 124 -6.369 -10.309 5.541 902 HG22 THR 124 1HG2 THR 124 -6.887 -11.213 4.119 903 HG23 THR 124 2HG2 THR 124 -7.985 -10.058 4.870 904 H GLY 125 H GLY 125 -7.428 -5.974 2.920 905 HA2 GLY 125 2HA GLY 125 -9.707 -5.475 2.442 906 HA3 GLY 125 1HA GLY 125 -10.157 -6.202 3.982 907 H ASP 126 H ASP 126 -7.483 -4.549 4.708 908 HA ASP 126 HA ASP 126 -8.938 -2.313 5.795 909 HB2 ASP 126 2HB ASP 126 -6.066 -3.172 5.991 910 HB3 ASP 126 1HB ASP 126 -6.596 -1.610 6.603 911 H GLU 127 H GLU 127 -8.450 -0.185 5.424 912 HA GLU 127 HA GLU 127 -7.360 0.367 2.743 913 HB2 GLU 127 2HB GLU 127 -9.413 1.880 4.356 914 HB3 GLU 127 1HB GLU 127 -8.796 2.371 2.785 915 HG2 GLU 127 2HG GLU 127 -9.753 0.415 1.754 916 HG3 GLU 127 1HG GLU 127 -10.271 -0.183 3.331 917 H ILE 128 H ILE 128 -5.704 1.720 2.618 918 HA ILE 128 HA ILE 128 -4.721 3.022 5.091 919 HB ILE 128 HB ILE 128 -3.170 2.567 2.527 920 HG12 ILE 128 2HG1 ILE 128 -3.156 0.731 4.926 921 HG13 ILE 128 1HG1 ILE 128 -3.977 0.368 3.411 922 HG21 ILE 128 1HG2 ILE 128 -2.310 3.013 5.390 923 HG22 ILE 128 2HG2 ILE 128 -2.280 4.211 4.100 924 HG23 ILE 128 3HG2 ILE 128 -1.225 2.798 4.015 925 HD11 ILE 128 3HD1 ILE 128 -1.020 0.792 3.760 926 HD12 ILE 128 1HD1 ILE 128 -1.832 0.412 2.244 927 HD13 ILE 128 2HD1 ILE 128 -1.825 -0.766 3.556 928 H GLN 129 H GLN 129 -4.740 5.162 5.040 929 HA GLN 129 HA GLN 129 -5.145 6.426 2.458 930 HB2 GLN 129 2HB GLN 129 -7.079 6.811 3.808 931 HB3 GLN 129 1HB GLN 129 -6.116 7.269 5.193 932 HG2 GLN 129 2HG GLN 129 -5.504 9.334 4.178 933 HG3 GLN 129 1HG GLN 129 -6.170 8.830 2.623 934 HE21 GLN 129 1HE2 GLN 129 -8.347 8.856 2.309 935 HE22 GLN 129 2HE2 GLN 129 -9.431 9.658 3.383 936 H ILE 130 H ILE 130 -3.542 7.466 1.764 937 HA ILE 130 HA ILE 130 -1.367 8.184 3.590 938 HB ILE 130 HB ILE 130 -1.306 7.486 0.637 939 HG12 ILE 130 2HG1 ILE 130 -1.494 5.525 2.117 940 HG13 ILE 130 1HG1 ILE 130 0.057 5.555 1.288 941 HG21 ILE 130 1HG2 ILE 130 0.297 9.246 1.021 942 HG22 ILE 130 2HG2 ILE 130 1.139 7.727 0.725 943 HG23 ILE 130 3HG2 ILE 130 1.003 8.353 2.368 944 HD11 ILE 130 3HD1 ILE 130 0.292 4.847 3.594 945 HD12 ILE 130 1HD1 ILE 130 -0.461 6.343 4.149 946 HD13 ILE 130 2HD1 ILE 130 1.105 6.391 3.338 947 H GLY 131 H GLY 131 -1.705 10.234 4.074 948 HA2 GLY 131 2HA GLY 131 -1.667 12.509 3.775 949 HA3 GLY 131 1HA GLY 131 -1.452 12.212 2.046 950 H LYS 132 H LYS 132 -3.203 11.819 0.798 951 HA LYS 132 HA LYS 132 -5.861 12.452 1.891 952 HB2 LYS 132 2HB LYS 132 -6.364 13.790 -0.146 953 HB3 LYS 132 1HB LYS 132 -5.113 14.507 0.861 954 HG2 LYS 132 2HG LYS 132 -3.399 13.904 -0.658 955 HG3 LYS 132 1HG LYS 132 -4.459 12.803 -1.531 956 HD2 LYS 132 2HD LYS 132 -4.071 14.875 -2.789 957 HD3 LYS 132 1HD LYS 132 -5.765 14.680 -2.360 958 HE2 LYS 132 2HE LYS 132 -5.414 16.235 -0.459 959 HE3 LYS 132 1HE LYS 132 -3.750 16.467 -0.993 960 HZ1 LYS 132 3HZ LYS 132 -6.171 17.081 -2.581 961 HZ2 LYS 132 1HZ LYS 132 -4.583 17.366 -3.076 962 HZ3 LYS 132 2HZ LYS 132 -5.229 18.222 -1.774 963 H PHE 133 H PHE 133 -3.905 10.355 0.057 964 HA PHE 133 HA PHE 133 -6.183 9.688 -1.542 965 HB2 PHE 133 2HB PHE 133 -4.619 8.543 -3.146 966 HB3 PHE 133 1HB PHE 133 -4.521 10.284 -3.051 967 HD1 PHE 133 2HD PHE 133 -2.534 11.356 -2.109 968 HD2 PHE 133 1HD PHE 133 -2.796 7.137 -2.549 969 HE1 PHE 133 2HE PHE 133 -0.094 11.192 -1.904 970 HE2 PHE 133 1HE PHE 133 -0.351 6.962 -2.356 971 HZ PHE 133 HZ PHE 133 1.007 8.998 -2.039 972 H ARG 134 H ARG 134 -5.935 7.221 -2.416 973 HA ARG 134 HA ARG 134 -6.642 5.852 0.125 974 HB2 ARG 134 2HB ARG 134 -8.466 6.800 -1.387 975 HB3 ARG 134 1HB ARG 134 -7.973 5.574 -2.536 976 HG2 ARG 134 2HG ARG 134 -9.861 4.726 -1.472 977 HG3 ARG 134 1HG ARG 134 -8.494 3.878 -0.747 978 HD2 ARG 134 2HD ARG 134 -8.716 4.950 1.255 979 HD3 ARG 134 1HD ARG 134 -9.448 6.384 0.535 980 HE ARG 134 HE ARG 134 -10.810 3.818 1.040 981 HH11 ARG 134 1HH1 ARG 134 -10.964 7.361 0.501 982 HH12 ARG 134 2HH1 ARG 134 -12.651 7.399 0.591 983 HH21 ARG 134 1HH2 ARG 134 -13.140 3.944 1.141 984 HH22 ARG 134 2HH2 ARG 134 -13.919 5.443 0.974 985 H LEU 135 H LEU 135 -5.563 3.949 0.361 986 HA LEU 135 HA LEU 135 -4.908 2.361 -2.011 987 HB2 LEU 135 2HB LEU 135 -3.290 2.641 0.538 988 HB3 LEU 135 1HB LEU 135 -2.961 1.471 -0.713 989 HG LEU 135 HG LEU 135 -2.507 3.457 -2.250 990 HD11 LEU 135 1HD1 LEU 135 -2.470 4.953 0.356 991 HD12 LEU 135 2HD1 LEU 135 -3.578 5.214 -0.989 992 HD13 LEU 135 3HD1 LEU 135 -1.858 5.555 -1.182 993 HD21 LEU 135 3HD2 LEU 135 -0.736 2.094 -1.363 994 HD22 LEU 135 1HD2 LEU 135 -0.739 3.015 0.143 995 HD23 LEU 135 2HD2 LEU 135 -0.255 3.789 -1.365 996 H VAL 136 H VAL 136 -5.432 0.199 -1.800 997 HA VAL 136 HA VAL 136 -6.722 -0.543 0.744 998 HB VAL 136 HB VAL 136 -7.407 -1.559 -2.047 999 HG11 VAL 136 1HG1 VAL 136 -8.661 -2.267 0.611 1000 HG12 VAL 136 2HG1 VAL 136 -7.663 -3.336 -0.377 1001 HG13 VAL 136 3HG1 VAL 136 -9.234 -2.798 -0.971 1002 HG21 VAL 136 3HG2 VAL 136 -8.245 0.691 -1.617 1003 HG22 VAL 136 1HG2 VAL 136 -9.002 0.135 -0.127 1004 HG23 VAL 136 2HG2 VAL 136 -9.575 -0.469 -1.681 1005 H PHE 137 H PHE 137 -5.879 -2.207 1.803 1006 HA PHE 137 HA PHE 137 -3.700 -3.687 0.536 1007 HB2 PHE 137 2HB PHE 137 -3.118 -2.571 2.622 1008 HB3 PHE 137 1HB PHE 137 -4.493 -3.300 3.434 1009 HD1 PHE 137 2HD PHE 137 -1.145 -3.940 2.035 1010 HD2 PHE 137 1HD PHE 137 -4.382 -5.519 4.294 1011 HE1 PHE 137 2HE PHE 137 0.271 -5.821 2.780 1012 HE2 PHE 137 1HE PHE 137 -2.972 -7.381 5.034 1013 HZ PHE 137 HZ PHE 137 -0.640 -7.529 4.276 1014 H LEU 138 H LEU 138 -4.119 -5.695 -0.132 1015 HA LEU 138 HA LEU 138 -6.071 -7.257 1.307 1016 HB2 LEU 138 2HB LEU 138 -7.220 -8.027 -0.699 1017 HB3 LEU 138 1HB LEU 138 -7.411 -6.307 -0.486 1018 HG LEU 138 HG LEU 138 -5.464 -7.525 -2.466 1019 HD11 LEU 138 1HD1 LEU 138 -7.734 -8.220 -3.008 1020 HD12 LEU 138 2HD1 LEU 138 -7.154 -7.026 -4.168 1021 HD13 LEU 138 3HD1 LEU 138 -8.283 -6.549 -2.900 1022 HD21 LEU 138 3HD2 LEU 138 -6.666 -4.756 -2.257 1023 HD22 LEU 138 1HD2 LEU 138 -5.554 -5.312 -3.509 1024 HD23 LEU 138 2HD2 LEU 138 -5.010 -5.186 -1.836 1025 H ALA 139 H ALA 139 -5.965 -9.523 0.777 1026 HA ALA 139 HA ALA 139 -3.255 -10.367 0.508 1027 HB1 ALA 139 1HB ALA 139 -5.808 -11.981 0.494 1028 HB2 ALA 139 2HB ALA 139 -4.848 -11.591 1.920 1029 HB3 ALA 139 3HB ALA 139 -4.181 -12.636 0.664 1030 H GLY 140 H GLY 140 -2.258 -10.970 -1.274 1031 HA2 GLY 140 2HA GLY 140 -3.603 -10.314 -3.739 1032 HA3 GLY 140 1HA GLY 140 -1.882 -10.574 -3.524 1033 HA PRO 141 HA PRO 141 -2.942 -14.176 -5.795 1034 HB2 PRO 141 2HB PRO 141 -0.453 -15.161 -6.110 1035 HB3 PRO 141 1HB PRO 141 -1.099 -13.810 -7.048 1036 HG2 PRO 141 2HG PRO 141 0.718 -13.780 -4.673 1037 HG3 PRO 141 1HG PRO 141 0.789 -12.787 -6.141 1038 HD2 PRO 141 2HD PRO 141 -0.235 -11.904 -3.781 1039 HD3 PRO 141 1HD PRO 141 -0.779 -11.313 -5.365 1040 H ALA 142 H ALA 142 -3.024 -16.317 -5.573 1041 HA ALA 142 HA ALA 142 -1.959 -17.609 -3.148 1042 HB1 ALA 142 1HB ALA 142 -4.475 -18.210 -4.749 1043 HB2 ALA 142 2HB ALA 142 -4.427 -17.543 -3.120 1044 HB3 ALA 142 3HB ALA 142 -3.883 -19.196 -3.412 1045 H GLU 143 H GLU 143 -0.983 -16.954 -5.772 1046 HA GLU 143 HA GLU 143 -0.875 -19.312 -7.430 1047 HB2 GLU 143 2HB GLU 143 -1.102 -16.989 -8.312 1048 HB3 GLU 143 1HB GLU 143 0.486 -16.625 -7.664 1049 HG2 GLU 143 2HG GLU 143 1.351 -18.496 -9.137 1050 HG3 GLU 143 1HG GLU 143 -0.236 -18.459 -9.907 Start of MODEL 16 1 H1 MET 1 1HT MET 1 18.171 -6.040 -7.398 2 H2 MET 1 2HT MET 1 19.864 -5.936 -7.541 3 H3 MET 1 3HT MET 1 18.917 -4.586 -7.785 4 HA MET 1 HA MET 1 18.197 -4.529 -5.560 5 HB2 MET 1 2HB MET 1 19.219 -6.003 -3.871 6 HB3 MET 1 1HB MET 1 18.282 -6.927 -5.032 7 HG2 MET 1 2HG MET 1 20.364 -7.599 -6.146 8 HG3 MET 1 1HG MET 1 21.283 -6.654 -4.978 9 HE1 MET 1 2HE MET 1 20.649 -8.554 -1.635 10 HE2 MET 1 3HE MET 1 19.673 -7.220 -2.241 11 HE3 MET 1 1HE MET 1 21.428 -7.185 -2.419 12 H SER 2 H SER 2 19.678 -3.744 -3.727 13 HA SER 2 HA SER 2 21.359 -1.855 -4.896 14 HB2 SER 2 2HB SER 2 21.064 -2.637 -2.008 15 HB3 SER 2 1HB SER 2 21.696 -1.103 -2.625 16 HG SER 2 HG SER 2 19.746 -0.607 -3.441 17 H ASP 3 H ASP 3 23.364 -1.975 -5.441 18 HA ASP 3 HA ASP 3 25.199 -3.969 -4.289 19 HB2 ASP 3 2HB ASP 3 24.842 -4.118 -6.755 20 HB3 ASP 3 1HB ASP 3 25.291 -2.431 -6.917 21 H ASN 4 H ASN 4 27.474 -3.005 -3.917 22 HA ASN 4 HA ASN 4 27.261 -0.678 -2.384 23 HB2 ASN 4 2HB ASN 4 29.122 -2.293 -2.101 24 HB3 ASN 4 1HB ASN 4 29.814 -1.739 -3.619 25 HD21 ASN 4 1HD2 ASN 4 31.704 -0.968 -2.683 26 HD22 ASN 4 2HD2 ASN 4 31.736 0.422 -1.647 27 H ASN 5 H ASN 5 27.078 1.289 -2.884 28 HA ASN 5 HA ASN 5 28.187 2.367 -5.332 29 HB2 ASN 5 2HB ASN 5 26.059 3.377 -5.982 30 HB3 ASN 5 1HB ASN 5 25.853 1.636 -5.877 31 HD21 ASN 5 1HD2 ASN 5 24.571 0.785 -4.149 32 HD22 ASN 5 2HD2 ASN 5 23.479 1.787 -3.272 33 H GLY 6 H GLY 6 28.320 4.695 -5.170 34 HA2 GLY 6 2HA GLY 6 28.988 5.682 -2.635 35 HA3 GLY 6 1HA GLY 6 28.658 6.684 -4.048 36 H THR 7 H THR 7 27.831 6.665 -1.059 37 HA THR 7 HA THR 7 25.027 6.239 -1.260 38 HB THR 7 HB THR 7 26.138 5.622 0.812 39 HG1 THR 7 1HG THR 7 24.206 6.056 1.474 40 HG21 THR 7 3HG2 THR 7 27.944 7.270 0.854 41 HG22 THR 7 1HG2 THR 7 27.051 7.301 2.374 42 HG23 THR 7 2HG2 THR 7 26.780 8.557 1.167 43 HA PRO 8 HA PRO 8 24.106 10.476 -2.446 44 HB2 PRO 8 2HB PRO 8 21.313 9.677 -2.003 45 HB3 PRO 8 1HB PRO 8 22.083 10.200 -3.502 46 HG2 PRO 8 2HG PRO 8 21.292 7.652 -3.110 47 HG3 PRO 8 1HG PRO 8 22.717 8.068 -4.080 48 HD2 PRO 8 2HD PRO 8 22.568 7.068 -1.265 49 HD3 PRO 8 1HD PRO 8 23.689 6.637 -2.582 50 H GLU 9 H GLU 9 23.565 12.234 -1.218 51 HA GLU 9 HA GLU 9 23.414 11.728 1.597 52 HB2 GLU 9 2HB GLU 9 23.515 14.305 0.054 53 HB3 GLU 9 1HB GLU 9 23.719 14.157 1.800 54 HG2 GLU 9 2HG GLU 9 25.722 12.829 1.477 55 HG3 GLU 9 1HG GLU 9 25.510 12.896 -0.270 56 HA PRO 10 HA PRO 10 19.068 11.810 1.887 57 HB2 PRO 10 2HB PRO 10 18.808 12.733 4.472 58 HB3 PRO 10 1HB PRO 10 19.158 11.063 4.025 59 HG2 PRO 10 2HG PRO 10 21.030 13.214 4.906 60 HG3 PRO 10 1HG PRO 10 21.032 11.488 5.315 61 HD2 PRO 10 2HD PRO 10 22.723 12.536 3.505 62 HD3 PRO 10 1HD PRO 10 22.054 10.899 3.335 63 H GLN 11 H GLN 11 17.420 13.110 1.572 64 HA GLN 11 HA GLN 11 17.870 15.960 1.329 65 HB2 GLN 11 2HB GLN 11 15.615 14.130 0.483 66 HB3 GLN 11 1HB GLN 11 15.653 15.857 0.162 67 HG2 GLN 11 2HG GLN 11 17.584 15.625 -1.224 68 HG3 GLN 11 1HG GLN 11 17.766 13.938 -0.761 69 HE21 GLN 11 1HE2 GLN 11 17.737 13.338 -2.877 70 HE22 GLN 11 2HE2 GLN 11 16.291 13.264 -3.824 71 H VAL 12 H VAL 12 16.710 17.447 2.498 72 HA VAL 12 HA VAL 12 15.260 16.351 4.797 73 HB VAL 12 HB VAL 12 16.884 18.902 4.690 74 HG11 VAL 12 1HG1 VAL 12 15.483 17.571 7.000 75 HG12 VAL 12 2HG1 VAL 12 15.037 19.098 6.237 76 HG13 VAL 12 3HG1 VAL 12 16.552 18.966 7.130 77 HG21 VAL 12 3HG2 VAL 12 18.458 17.772 6.201 78 HG22 VAL 12 1HG2 VAL 12 18.344 16.953 4.643 79 HG23 VAL 12 2HG2 VAL 12 17.522 16.285 6.054 80 H GLU 13 H GLU 13 13.235 16.799 4.759 81 HA GLU 13 HA GLU 13 12.294 19.424 3.965 82 HB2 GLU 13 2HB GLU 13 10.285 18.356 3.035 83 HB3 GLU 13 1HB GLU 13 11.713 17.857 2.152 84 HG2 GLU 13 2HG GLU 13 10.292 16.202 4.254 85 HG3 GLU 13 1HG GLU 13 10.102 16.012 2.515 86 H THR 14 H THR 14 10.242 19.871 5.128 87 HA THR 14 HA THR 14 10.239 18.382 7.646 88 HB THR 14 HB THR 14 9.482 21.303 7.349 89 HG1 THR 14 1HG THR 14 11.681 21.060 6.821 90 HG21 THR 14 3HG2 THR 14 10.283 19.609 9.724 91 HG22 THR 14 1HG2 THR 14 8.638 20.102 9.334 92 HG23 THR 14 2HG2 THR 14 9.843 21.314 9.778 93 H TPO 15 H TPO 15 8.268 17.607 8.334 94 HA TPO 15 HA TPO 15 6.121 18.012 6.365 95 HB TPO 15 HB TPO 15 6.140 15.855 8.477 96 HG21 TPO 15 1HG2 TPO 15 4.012 16.256 7.332 97 HG22 TPO 15 2HG2 TPO 15 4.709 14.715 6.815 98 HG23 TPO 15 3HG2 TPO 15 4.819 16.127 5.771 99 H SER 16 H SER 16 4.617 19.320 6.849 100 HA SER 16 HA SER 16 3.752 19.812 9.573 101 HB2 SER 16 2HB SER 16 3.164 21.248 6.968 102 HB3 SER 16 1HB SER 16 2.740 21.819 8.586 103 HG SER 16 HG SER 16 5.050 21.692 9.021 104 H VAL 17 H VAL 17 1.366 19.728 9.911 105 HA VAL 17 HA VAL 17 0.289 17.455 8.510 106 HB VAL 17 HB VAL 17 -0.867 19.114 10.785 107 HG11 VAL 17 1HG1 VAL 17 -1.729 16.433 9.715 108 HG12 VAL 17 2HG1 VAL 17 -2.601 17.959 9.543 109 HG13 VAL 17 3HG1 VAL 17 -2.393 17.237 11.140 110 HG21 VAL 17 3HG2 VAL 17 -0.196 17.234 12.218 111 HG22 VAL 17 1HG2 VAL 17 1.190 17.990 11.430 112 HG23 VAL 17 2HG2 VAL 17 0.560 16.459 10.828 113 H PHE 18 H PHE 18 -0.834 17.661 6.759 114 HA PHE 18 HA PHE 18 -2.101 20.211 6.120 115 HB2 PHE 18 2HB PHE 18 -1.459 19.875 3.789 116 HB3 PHE 18 1HB PHE 18 -0.030 19.793 4.810 117 HD1 PHE 18 1HD PHE 18 0.903 17.490 5.384 118 HD2 PHE 18 2HD PHE 18 -2.022 18.116 2.351 119 HE1 PHE 18 1HE PHE 18 1.454 15.306 4.402 120 HE2 PHE 18 2HE PHE 18 -1.475 15.935 1.369 121 HZ PHE 18 HZ PHE 18 0.259 14.525 2.394 122 H ARG 19 H ARG 19 -4.128 20.117 5.189 123 HA ARG 19 HA ARG 19 -5.093 17.443 4.591 124 HB2 ARG 19 2HB ARG 19 -7.393 18.127 5.392 125 HB3 ARG 19 1HB ARG 19 -6.209 17.873 6.651 126 HG2 ARG 19 2HG ARG 19 -5.922 20.336 6.794 127 HG3 ARG 19 1HG ARG 19 -7.190 20.516 5.581 128 HD2 ARG 19 2HD ARG 19 -8.744 19.311 7.068 129 HD3 ARG 19 1HD ARG 19 -7.480 19.218 8.289 130 HE ARG 19 HE ARG 19 -8.200 21.850 7.307 131 HH11 ARG 19 1HH1 ARG 19 -8.459 19.485 9.938 132 HH12 ARG 19 2HH1 ARG 19 -9.063 20.621 11.059 133 HH21 ARG 19 1HH2 ARG 19 -9.073 23.351 8.836 134 HH22 ARG 19 2HH2 ARG 19 -9.410 22.838 10.441 135 H ALA 20 H ALA 20 -4.744 17.636 2.488 136 HA ALA 20 HA ALA 20 -5.928 19.838 1.010 137 HB1 ALA 20 1HB ALA 20 -4.406 17.432 -0.009 138 HB2 ALA 20 2HB ALA 20 -3.721 19.019 0.328 139 HB3 ALA 20 3HB ALA 20 -4.903 18.828 -0.963 140 H ASP 21 H ASP 21 -6.041 16.639 -0.014 141 HA ASP 21 HA ASP 21 -8.831 16.876 -0.731 142 HB2 ASP 21 2HB ASP 21 -7.070 14.419 -0.789 143 HB3 ASP 21 1HB ASP 21 -8.699 14.505 -1.448 144 H LEU 22 H LEU 22 -7.201 16.120 2.012 145 HA LEU 22 HA LEU 22 -8.872 14.213 3.200 146 HB2 LEU 22 2HB LEU 22 -7.060 16.248 4.469 147 HB3 LEU 22 1HB LEU 22 -7.916 15.022 5.381 148 HG LEU 22 HG LEU 22 -5.822 14.492 3.265 149 HD11 LEU 22 1HD1 LEU 22 -4.455 13.730 5.144 150 HD12 LEU 22 2HD1 LEU 22 -5.715 14.232 6.270 151 HD13 LEU 22 3HD1 LEU 22 -4.867 15.436 5.302 152 HD21 LEU 22 3HD2 LEU 22 -7.328 12.607 5.083 153 HD22 LEU 22 1HD2 LEU 22 -5.960 12.166 4.062 154 HD23 LEU 22 2HD2 LEU 22 -7.460 12.704 3.325 155 H LEU 23 H LEU 23 -9.413 17.511 2.538 156 HA LEU 23 HA LEU 23 -11.215 18.185 4.573 157 HB2 LEU 23 2HB LEU 23 -11.151 19.033 1.676 158 HB3 LEU 23 1HB LEU 23 -12.080 19.806 2.938 159 HG LEU 23 HG LEU 23 -9.065 19.702 2.805 160 HD11 LEU 23 1HD1 LEU 23 -11.001 21.947 2.271 161 HD12 LEU 23 2HD1 LEU 23 -9.972 21.136 1.086 162 HD13 LEU 23 3HD1 LEU 23 -9.250 22.112 2.365 163 HD21 LEU 23 3HD2 LEU 23 -9.863 19.775 5.101 164 HD22 LEU 23 1HD2 LEU 23 -10.916 21.133 4.702 165 HD23 LEU 23 2HD2 LEU 23 -9.165 21.326 4.637 166 H LYS 24 H LYS 24 -11.634 16.664 1.402 167 HA LYS 24 HA LYS 24 -14.458 16.249 1.864 168 HB2 LYS 24 2HB LYS 24 -13.663 16.838 -0.373 169 HB3 LYS 24 1HB LYS 24 -12.642 15.411 -0.408 170 HG2 LYS 24 2HG LYS 24 -14.660 13.997 -0.331 171 HG3 LYS 24 1HG LYS 24 -15.650 15.459 -0.347 172 HD2 LYS 24 2HD LYS 24 -14.752 16.083 -2.505 173 HD3 LYS 24 1HD LYS 24 -13.683 14.681 -2.489 174 HE2 LYS 24 2HE LYS 24 -15.630 14.268 -3.898 175 HE3 LYS 24 1HE LYS 24 -15.626 13.195 -2.503 176 HZ1 LYS 24 3HZ LYS 24 -17.212 15.690 -2.713 177 HZ2 LYS 24 1HZ LYS 24 -17.311 14.564 -1.462 178 HZ3 LYS 24 2HZ LYS 24 -17.818 14.167 -3.031 179 H GLU 25 H GLU 25 -11.450 14.497 1.891 180 HA GLU 25 HA GLU 25 -12.342 11.856 1.891 181 HB2 GLU 25 2HB GLU 25 -9.923 12.830 1.793 182 HB3 GLU 25 1HB GLU 25 -10.040 12.764 3.552 183 HG2 GLU 25 2HG GLU 25 -8.907 10.810 2.821 184 HG3 GLU 25 1HG GLU 25 -10.509 10.349 3.398 185 H MET 26 H MET 26 -12.160 14.216 4.482 186 HA MET 26 HA MET 26 -12.478 12.516 6.671 187 HB2 MET 26 2HB MET 26 -11.832 14.843 6.956 188 HB3 MET 26 1HB MET 26 -13.384 15.374 6.332 189 HG2 MET 26 2HG MET 26 -13.230 15.553 8.778 190 HG3 MET 26 1HG MET 26 -14.527 14.481 8.254 191 HE1 MET 26 3HE MET 26 -10.499 13.003 9.993 192 HE2 MET 26 1HE MET 26 -10.903 14.698 9.732 193 HE3 MET 26 2HE MET 26 -10.645 13.627 8.351 194 H GLU 27 H GLU 27 -14.987 14.221 4.799 195 HA GLU 27 HA GLU 27 -17.106 13.053 6.277 196 HB2 GLU 27 2HB GLU 27 -17.073 14.477 3.618 197 HB3 GLU 27 1HB GLU 27 -18.543 13.799 4.288 198 HG2 GLU 27 2HG GLU 27 -18.485 16.149 4.760 199 HG3 GLU 27 1HG GLU 27 -18.280 15.270 6.265 200 H SER 28 H SER 28 -15.329 12.076 3.479 201 HA SER 28 HA SER 28 -17.052 9.960 2.703 202 HB2 SER 28 2HB SER 28 -14.098 10.334 2.197 203 HB3 SER 28 1HB SER 28 -15.187 9.291 1.282 204 HG SER 28 HG SER 28 -14.616 11.709 0.723 205 H SER 29 H SER 29 -14.567 10.340 5.059 206 HA SER 29 HA SER 29 -14.288 7.517 5.491 207 HB2 SER 29 2HB SER 29 -12.337 9.148 5.587 208 HB3 SER 29 1HB SER 29 -13.016 9.738 7.103 209 HG SER 29 HG SER 29 -12.512 7.862 8.083 210 H THR 30 H THR 30 -16.298 10.017 6.584 211 HA THR 30 HA THR 30 -16.662 9.275 9.260 212 HB THR 30 HB THR 30 -18.750 10.529 7.448 213 HG1 THR 30 1HG THR 30 -16.347 11.509 8.054 214 HG21 THR 30 3HG2 THR 30 -18.297 10.684 10.436 215 HG22 THR 30 1HG2 THR 30 -19.571 9.774 9.627 216 HG23 THR 30 2HG2 THR 30 -19.561 11.535 9.546 217 H GLY 31 H GLY 31 -17.039 7.153 9.689 218 HA2 GLY 31 2HA GLY 31 -19.359 5.936 9.804 219 HA3 GLY 31 1HA GLY 31 -18.893 5.595 8.139 220 H THR 32 H THR 32 -18.503 3.395 8.431 221 HA THR 32 HA THR 32 -16.300 2.774 10.252 222 HB THR 32 HB THR 32 -18.548 0.947 9.352 223 HG1 THR 32 1HG THR 32 -19.276 1.179 11.499 224 HG21 THR 32 3HG2 THR 32 -16.356 0.515 11.401 225 HG22 THR 32 1HG2 THR 32 -16.438 -0.252 9.814 226 HG23 THR 32 2HG2 THR 32 -17.663 -0.611 11.030 227 H ALA 33 H ALA 33 -14.518 1.892 9.361 228 HA ALA 33 HA ALA 33 -14.554 1.095 6.532 229 HB1 ALA 33 1HB ALA 33 -12.217 1.676 8.368 230 HB2 ALA 33 2HB ALA 33 -12.879 2.781 7.164 231 HB3 ALA 33 3HB ALA 33 -12.099 1.285 6.653 232 HA PRO 34 HA PRO 34 -14.464 -3.019 8.592 233 HB2 PRO 34 2HB PRO 34 -15.692 -4.054 6.185 234 HB3 PRO 34 1HB PRO 34 -16.373 -3.928 7.804 235 HG2 PRO 34 2HG PRO 34 -17.259 -2.435 5.696 236 HG3 PRO 34 1HG PRO 34 -17.358 -1.901 7.381 237 HD2 PRO 34 2HD PRO 34 -15.349 -1.179 5.279 238 HD3 PRO 34 1HD PRO 34 -16.161 -0.143 6.476 239 H ALA 35 H ALA 35 -13.439 -5.051 8.042 240 HA ALA 35 HA ALA 35 -11.713 -5.009 5.698 241 HB1 ALA 35 1HB ALA 35 -10.345 -4.282 7.615 242 HB2 ALA 35 2HB ALA 35 -9.845 -5.877 7.047 243 HB3 ALA 35 3HB ALA 35 -10.824 -5.731 8.504 244 H SER 36 H SER 36 -10.778 -7.366 5.414 245 HA SER 36 HA SER 36 -12.958 -9.228 6.056 246 HB2 SER 36 2HB SER 36 -11.113 -9.208 3.663 247 HB3 SER 36 1HB SER 36 -12.486 -10.288 3.927 248 HG SER 36 HG SER 36 -13.360 -7.848 4.231 249 H THR 37 H THR 37 -12.223 -11.470 6.345 250 HA THR 37 HA THR 37 -9.563 -11.557 7.486 251 HB THR 37 HB THR 37 -11.475 -12.516 8.812 252 HG1 THR 37 1HG THR 37 -10.185 -14.838 8.533 253 HG21 THR 37 3HG2 THR 37 -12.819 -13.429 6.984 254 HG22 THR 37 1HG2 THR 37 -12.410 -14.692 8.143 255 HG23 THR 37 2HG2 THR 37 -11.542 -14.583 6.609 256 H GLY 38 H GLY 38 -8.110 -13.276 6.872 257 HA2 GLY 38 2HA GLY 38 -8.199 -15.194 5.036 258 HA3 GLY 38 1HA GLY 38 -8.240 -13.773 3.998 259 H ALA 39 H ALA 39 -6.559 -12.256 5.886 260 HA ALA 39 HA ALA 39 -4.058 -12.949 4.727 261 HB1 ALA 39 1HB ALA 39 -3.133 -11.115 6.064 262 HB2 ALA 39 2HB ALA 39 -4.627 -11.020 6.991 263 HB3 ALA 39 3HB ALA 39 -4.630 -10.616 5.275 264 H GLU 40 H GLU 40 -5.527 -13.367 7.870 265 HA GLU 40 HA GLU 40 -3.287 -14.542 9.163 266 HB2 GLU 40 2HB GLU 40 -4.955 -15.213 10.883 267 HB3 GLU 40 1HB GLU 40 -5.013 -13.506 10.480 268 HG2 GLU 40 2HG GLU 40 -6.950 -13.924 9.032 269 HG3 GLU 40 1HG GLU 40 -6.881 -15.627 9.458 270 H ASN 41 H ASN 41 -5.214 -15.736 6.739 271 HA ASN 41 HA ASN 41 -5.065 -18.527 7.581 272 HB2 ASN 41 2HB ASN 41 -6.260 -17.277 5.077 273 HB3 ASN 41 1HB ASN 41 -6.280 -18.991 5.445 274 HD21 ASN 41 1HD2 ASN 41 -8.491 -19.089 5.376 275 HD22 ASN 41 2HD2 ASN 41 -9.503 -18.435 6.604 276 H LEU 42 H LEU 42 -3.503 -16.140 5.846 277 HA LEU 42 HA LEU 42 -1.804 -15.944 4.449 278 HB2 LEU 42 2HB LEU 42 -1.103 -18.609 5.605 279 HB3 LEU 42 1HB LEU 42 0.013 -17.663 4.622 280 HG LEU 42 HG LEU 42 -1.098 -16.904 7.337 281 HD11 LEU 42 1HD1 LEU 42 1.171 -17.242 8.123 282 HD12 LEU 42 2HD1 LEU 42 1.669 -17.751 6.511 283 HD13 LEU 42 3HD1 LEU 42 0.519 -18.726 7.429 284 HD21 LEU 42 3HD2 LEU 42 0.462 -15.043 7.271 285 HD22 LEU 42 1HD2 LEU 42 -0.667 -14.930 5.926 286 HD23 LEU 42 2HD2 LEU 42 0.984 -15.499 5.654 287 HA PRO 43 HA PRO 43 -3.890 -18.157 1.030 288 HB2 PRO 43 2HB PRO 43 -2.905 -15.802 -0.446 289 HB3 PRO 43 1HB PRO 43 -4.547 -16.432 -0.329 290 HG2 PRO 43 2HG PRO 43 -3.722 -14.159 0.893 291 HG3 PRO 43 1HG PRO 43 -5.026 -15.179 1.540 292 HD2 PRO 43 2HD PRO 43 -2.220 -14.845 2.429 293 HD3 PRO 43 1HD PRO 43 -3.667 -15.244 3.374 294 H ALA 44 H ALA 44 -1.099 -16.110 0.365 295 HA ALA 44 HA ALA 44 0.396 -18.516 -0.443 296 HB1 ALA 44 1HB ALA 44 -0.139 -17.157 -2.397 297 HB2 ALA 44 2HB ALA 44 1.594 -17.097 -2.073 298 HB3 ALA 44 3HB ALA 44 0.566 -15.739 -1.624 299 H GLY 45 H GLY 45 0.039 -16.310 1.854 300 HA2 GLY 45 2HA GLY 45 1.403 -15.817 3.683 301 HA3 GLY 45 1HA GLY 45 2.735 -16.613 2.847 302 H SER 46 H SER 46 1.211 -14.456 0.863 303 HA SER 46 HA SER 46 2.930 -12.226 1.560 304 HB2 SER 46 2HB SER 46 2.490 -13.270 -1.245 305 HB3 SER 46 1HB SER 46 3.565 -11.970 -0.733 306 HG SER 46 HG SER 46 5.028 -13.352 -0.297 307 H ALA 47 H ALA 47 2.069 -10.247 0.285 308 HA ALA 47 HA ALA 47 -0.717 -10.361 -0.372 309 HB1 ALA 47 1HB ALA 47 -1.349 -8.722 1.335 310 HB2 ALA 47 2HB ALA 47 0.273 -8.816 2.018 311 HB3 ALA 47 3HB ALA 47 -0.785 -10.227 2.061 312 H LEU 48 H LEU 48 -1.431 -8.212 -1.183 313 HA LEU 48 HA LEU 48 0.831 -6.566 -1.939 314 HB2 LEU 48 2HB LEU 48 -0.122 -6.225 -4.201 315 HB3 LEU 48 1HB LEU 48 0.355 -7.870 -3.922 316 HG LEU 48 HG LEU 48 -1.592 -7.810 -5.292 317 HD11 LEU 48 1HD1 LEU 48 -1.524 -9.694 -3.862 318 HD12 LEU 48 2HD1 LEU 48 -3.192 -9.190 -4.136 319 HD13 LEU 48 3HD1 LEU 48 -2.404 -8.825 -2.604 320 HD21 LEU 48 3HD2 LEU 48 -3.787 -6.932 -4.496 321 HD22 LEU 48 1HD2 LEU 48 -2.566 -5.685 -4.784 322 HD23 LEU 48 2HD2 LEU 48 -2.934 -6.196 -3.140 323 H LEU 49 H LEU 49 0.249 -4.331 -2.450 324 HA LEU 49 HA LEU 49 -2.355 -3.617 -1.315 325 HB2 LEU 49 2HB LEU 49 -1.538 -1.636 -0.280 326 HB3 LEU 49 1HB LEU 49 -0.454 -2.908 0.213 327 HG LEU 49 HG LEU 49 0.203 -0.902 -1.964 328 HD11 LEU 49 1HD1 LEU 49 0.968 -0.888 0.948 329 HD12 LEU 49 2HD1 LEU 49 -0.148 0.224 0.161 330 HD13 LEU 49 3HD1 LEU 49 1.560 0.228 -0.282 331 HD21 LEU 49 3HD2 LEU 49 1.508 -2.994 -2.034 332 HD22 LEU 49 1HD2 LEU 49 1.970 -2.741 -0.350 333 HD23 LEU 49 2HD2 LEU 49 2.503 -1.604 -1.588 334 H VAL 50 H VAL 50 -3.520 -2.147 -2.427 335 HA VAL 50 HA VAL 50 -2.311 -1.307 -4.957 336 HB VAL 50 HB VAL 50 -3.975 -3.088 -5.335 337 HG11 VAL 50 1HG1 VAL 50 -5.409 -2.793 -3.426 338 HG12 VAL 50 2HG1 VAL 50 -6.364 -2.733 -4.909 339 HG13 VAL 50 3HG1 VAL 50 -5.968 -1.242 -4.053 340 HG21 VAL 50 3HG2 VAL 50 -3.716 -1.416 -7.083 341 HG22 VAL 50 1HG2 VAL 50 -4.929 -0.393 -6.312 342 HG23 VAL 50 2HG2 VAL 50 -5.396 -1.950 -6.998 343 H VAL 51 H VAL 51 -2.524 0.763 -5.557 344 HA VAL 51 HA VAL 51 -3.584 2.626 -3.599 345 HB VAL 51 HB VAL 51 -2.662 3.253 -6.413 346 HG11 VAL 51 1HG1 VAL 51 -2.178 5.467 -5.491 347 HG12 VAL 51 2HG1 VAL 51 -2.755 4.933 -3.912 348 HG13 VAL 51 3HG1 VAL 51 -3.875 5.031 -5.268 349 HG21 VAL 51 3HG2 VAL 51 -0.424 3.719 -5.519 350 HG22 VAL 51 1HG2 VAL 51 -0.862 2.023 -5.321 351 HG23 VAL 51 2HG2 VAL 51 -0.932 3.118 -3.939 352 H LYS 52 H LYS 52 -5.568 3.129 -3.518 353 HA LYS 52 HA LYS 52 -7.315 2.239 -5.663 354 HB2 LYS 52 2HB LYS 52 -7.585 1.585 -3.239 355 HB3 LYS 52 1HB LYS 52 -8.063 3.244 -2.925 356 HG2 LYS 52 2HG LYS 52 -9.999 1.794 -3.123 357 HG3 LYS 52 1HG LYS 52 -9.961 2.973 -4.439 358 HD2 LYS 52 2HD LYS 52 -9.210 1.341 -6.000 359 HD3 LYS 52 1HD LYS 52 -8.860 0.180 -4.720 360 HE2 LYS 52 2HE LYS 52 -10.917 -0.347 -5.957 361 HE3 LYS 52 1HE LYS 52 -11.212 -0.060 -4.248 362 HZ1 LYS 52 3HZ LYS 52 -11.965 2.160 -4.792 363 HZ2 LYS 52 1HZ LYS 52 -12.869 1.003 -5.583 364 HZ3 LYS 52 2HZ LYS 52 -11.724 1.897 -6.442 365 H ARG 53 H ARG 53 -6.235 5.103 -3.998 366 HA ARG 53 HA ARG 53 -7.545 6.707 -6.043 367 HB2 ARG 53 2HB ARG 53 -9.007 6.506 -3.895 368 HB3 ARG 53 1HB ARG 53 -7.802 7.562 -3.174 369 HG2 ARG 53 2HG ARG 53 -9.628 8.908 -3.917 370 HG3 ARG 53 1HG ARG 53 -8.259 9.206 -4.995 371 HD2 ARG 53 2HD ARG 53 -9.197 7.699 -6.650 372 HD3 ARG 53 1HD ARG 53 -10.503 7.284 -5.546 373 HE ARG 53 HE ARG 53 -10.288 10.068 -6.218 374 HH11 ARG 53 1HH1 ARG 53 -11.841 6.946 -6.931 375 HH12 ARG 53 2HH1 ARG 53 -13.088 7.609 -7.882 376 HH21 ARG 53 1HH2 ARG 53 -12.025 10.977 -7.527 377 HH22 ARG 53 2HH2 ARG 53 -13.202 9.955 -8.228 378 H GLY 54 H GLY 54 -6.314 8.446 -6.615 379 HA2 GLY 54 2HA GLY 54 -4.811 10.197 -5.611 380 HA3 GLY 54 1HA GLY 54 -3.811 8.822 -5.136 381 HA PRO 55 HA PRO 55 -2.618 10.402 -9.504 382 HB2 PRO 55 2HB PRO 55 -0.022 10.103 -8.058 383 HB3 PRO 55 1HB PRO 55 -0.480 11.292 -9.280 384 HG2 PRO 55 2HG PRO 55 -0.403 12.004 -6.751 385 HG3 PRO 55 1HG PRO 55 -1.755 12.532 -7.776 386 HD2 PRO 55 2HD PRO 55 -1.677 10.395 -5.692 387 HD3 PRO 55 1HD PRO 55 -2.975 11.539 -6.084 388 H ASN 56 H ASN 56 -1.085 8.060 -7.273 389 HA ASN 56 HA ASN 56 -0.323 6.364 -9.491 390 HB2 ASN 56 2HB ASN 56 0.014 5.869 -6.517 391 HB3 ASN 56 1HB ASN 56 0.769 4.958 -7.810 392 HD21 ASN 56 1HD2 ASN 56 2.853 5.363 -7.183 393 HD22 ASN 56 2HD2 ASN 56 3.563 6.928 -7.224 394 H ALA 57 H ALA 57 -3.260 6.780 -8.501 395 HA ALA 57 HA ALA 57 -4.158 4.353 -7.378 396 HB1 ALA 57 1HB ALA 57 -5.528 6.389 -7.393 397 HB2 ALA 57 2HB ALA 57 -6.391 5.016 -8.084 398 HB3 ALA 57 3HB ALA 57 -5.703 6.250 -9.140 399 H GLY 58 H GLY 58 -4.669 2.465 -8.174 400 HA2 GLY 58 2HA GLY 58 -5.427 1.064 -9.953 401 HA3 GLY 58 1HA GLY 58 -4.593 2.126 -11.085 402 H ALA 59 H ALA 59 -2.331 2.204 -9.029 403 HA ALA 59 HA ALA 59 -0.969 -0.057 -10.170 404 HB1 ALA 59 1HB ALA 59 0.067 2.100 -8.335 405 HB2 ALA 59 2HB ALA 59 0.158 2.104 -10.098 406 HB3 ALA 59 3HB ALA 59 1.044 0.894 -9.171 407 H ARG 60 H ARG 60 -0.477 -1.862 -9.166 408 HA ARG 60 HA ARG 60 -1.113 -2.099 -6.308 409 HB2 ARG 60 2HB ARG 60 -1.643 -4.453 -6.723 410 HB3 ARG 60 1HB ARG 60 -2.588 -3.450 -7.809 411 HG2 ARG 60 2HG ARG 60 -0.825 -3.904 -9.560 412 HG3 ARG 60 1HG ARG 60 -0.168 -5.105 -8.460 413 HD2 ARG 60 2HD ARG 60 -2.923 -5.075 -9.681 414 HD3 ARG 60 1HD ARG 60 -1.611 -6.172 -10.074 415 HE ARG 60 HE ARG 60 -3.204 -6.178 -7.604 416 HH11 ARG 60 1HH1 ARG 60 -0.764 -7.809 -9.596 417 HH12 ARG 60 2HH1 ARG 60 -1.127 -9.361 -9.017 418 HH21 ARG 60 1HH2 ARG 60 -3.692 -8.291 -6.815 419 HH22 ARG 60 2HH2 ARG 60 -2.826 -9.656 -7.407 420 H PHE 61 H PHE 61 0.457 -2.959 -4.991 421 HA PHE 61 HA PHE 61 2.999 -3.684 -6.292 422 HB2 PHE 61 2HB PHE 61 2.686 -2.154 -3.699 423 HB3 PHE 61 1HB PHE 61 4.196 -2.555 -4.506 424 HD1 PHE 61 2HD PHE 61 4.742 -1.453 -6.675 425 HD2 PHE 61 1HD PHE 61 1.449 -0.247 -4.269 426 HE1 PHE 61 2HE PHE 61 4.640 0.681 -7.880 427 HE2 PHE 61 1HE PHE 61 1.343 1.888 -5.471 428 HZ PHE 61 HZ PHE 61 2.929 2.355 -7.275 429 H LEU 62 H LEU 62 3.736 -5.580 -5.645 430 HA LEU 62 HA LEU 62 2.269 -6.969 -3.569 431 HB2 LEU 62 2HB LEU 62 3.232 -9.020 -4.340 432 HB3 LEU 62 1HB LEU 62 2.704 -8.123 -5.732 433 HG LEU 62 HG LEU 62 5.599 -8.346 -4.852 434 HD11 LEU 62 1HD1 LEU 62 4.122 -9.831 -7.012 435 HD12 LEU 62 2HD1 LEU 62 4.730 -10.513 -5.503 436 HD13 LEU 62 3HD1 LEU 62 5.858 -9.905 -6.714 437 HD21 LEU 62 3HD2 LEU 62 5.296 -6.360 -6.214 438 HD22 LEU 62 1HD2 LEU 62 4.355 -7.279 -7.399 439 HD23 LEU 62 2HD2 LEU 62 6.065 -7.608 -7.184 440 H LEU 63 H LEU 63 2.995 -7.394 -1.567 441 HA LEU 63 HA LEU 63 5.557 -6.277 -0.839 442 HB2 LEU 63 2HB LEU 63 3.464 -7.701 0.836 443 HB3 LEU 63 1HB LEU 63 4.956 -7.065 1.472 444 HG LEU 63 HG LEU 63 3.263 -5.575 2.113 445 HD11 LEU 63 1HD1 LEU 63 4.629 -4.351 -0.245 446 HD12 LEU 63 2HD1 LEU 63 5.241 -4.456 1.405 447 HD13 LEU 63 3HD1 LEU 63 3.817 -3.477 1.053 448 HD21 LEU 63 3HD2 LEU 63 1.654 -4.539 0.649 449 HD22 LEU 63 1HD2 LEU 63 1.521 -6.291 0.552 450 HD23 LEU 63 2HD2 LEU 63 2.326 -5.396 -0.740 451 H ASP 64 H ASP 64 7.155 -7.473 -1.528 452 HA ASP 64 HA ASP 64 7.216 -10.335 -0.790 453 HB2 ASP 64 2HB ASP 64 7.155 -10.037 -3.222 454 HB3 ASP 64 1HB ASP 64 8.460 -8.868 -3.138 455 H GLN 65 H GLN 65 8.251 -7.381 -0.093 456 HA GLN 65 HA GLN 65 10.940 -8.155 0.639 457 HB2 GLN 65 2HB GLN 65 11.295 -5.588 0.844 458 HB3 GLN 65 1HB GLN 65 11.313 -6.300 -0.744 459 HG2 GLN 65 2HG GLN 65 8.808 -5.059 0.380 460 HG3 GLN 65 1HG GLN 65 10.064 -4.065 -0.344 461 HE21 GLN 65 1HE2 GLN 65 8.659 -3.371 -2.023 462 HE22 GLN 65 2HE2 GLN 65 8.200 -4.417 -3.289 463 HA PRO 66 HA PRO 66 9.954 -8.181 4.919 464 HB2 PRO 66 2HB PRO 66 12.545 -6.772 5.284 465 HB3 PRO 66 1HB PRO 66 11.975 -8.270 6.015 466 HG2 PRO 66 2HG PRO 66 13.784 -8.351 4.100 467 HG3 PRO 66 1HG PRO 66 12.463 -9.533 4.126 468 HD2 PRO 66 2HD PRO 66 12.797 -7.109 2.410 469 HD3 PRO 66 1HD PRO 66 12.176 -8.724 2.007 470 H THR 67 H THR 67 11.162 -5.190 3.533 471 HA THR 67 HA THR 67 9.319 -3.745 5.218 472 HB THR 67 HB THR 67 12.269 -3.038 5.079 473 HG1 THR 67 1HG THR 67 10.776 -4.548 6.750 474 HG21 THR 67 3HG2 THR 67 10.817 -1.036 5.119 475 HG22 THR 67 1HG2 THR 67 11.692 -1.219 6.640 476 HG23 THR 67 2HG2 THR 67 9.990 -1.667 6.540 477 H THR 68 H THR 68 8.221 -2.488 4.004 478 HA THR 68 HA THR 68 9.325 -1.593 1.442 479 HB THR 68 HB THR 68 6.450 -1.950 2.296 480 HG1 THR 68 1HG THR 68 7.815 -3.911 2.227 481 HG21 THR 68 3HG2 THR 68 7.736 -1.717 -0.422 482 HG22 THR 68 1HG2 THR 68 6.855 -0.448 0.429 483 HG23 THR 68 2HG2 THR 68 6.009 -1.908 -0.096 484 H THR 69 H THR 69 9.852 0.579 1.639 485 HA THR 69 HA THR 69 8.661 2.141 3.734 486 HB THR 69 HB THR 69 10.374 3.800 2.740 487 HG1 THR 69 1HG THR 69 11.990 2.788 1.505 488 HG21 THR 69 3HG2 THR 69 11.275 1.198 4.007 489 HG22 THR 69 1HG2 THR 69 10.677 2.612 4.877 490 HG23 THR 69 2HG2 THR 69 12.199 2.700 3.990 491 H ALA 70 H ALA 70 7.257 3.866 3.392 492 HA ALA 70 HA ALA 70 6.705 4.510 0.589 493 HB1 ALA 70 1HB ALA 70 4.425 5.094 1.305 494 HB2 ALA 70 2HB ALA 70 4.817 4.580 2.948 495 HB3 ALA 70 3HB ALA 70 4.804 3.405 1.632 496 H GLY 71 H GLY 71 6.876 6.554 0.024 497 HA2 GLY 71 2HA GLY 71 6.541 8.872 1.330 498 HA3 GLY 71 1HA GLY 71 8.151 8.367 1.839 499 H ARG 72 H ARG 72 9.284 9.899 0.763 500 HA ARG 72 HA ARG 72 8.977 10.028 -2.140 501 HB2 ARG 72 2HB ARG 72 10.069 12.261 -2.087 502 HB3 ARG 72 1HB ARG 72 8.592 12.210 -1.153 503 HG2 ARG 72 2HG ARG 72 10.122 13.512 0.065 504 HG3 ARG 72 1HG ARG 72 10.042 11.960 0.907 505 HD2 ARG 72 2HD ARG 72 12.107 11.311 -0.404 506 HD3 ARG 72 1HD ARG 72 12.200 12.986 -0.928 507 HE ARG 72 HE ARG 72 12.478 13.601 1.404 508 HH11 ARG 72 1HH1 ARG 72 12.877 10.154 0.704 509 HH12 ARG 72 2HH1 ARG 72 14.107 9.908 1.847 510 HH21 ARG 72 1HH2 ARG 72 14.071 13.316 2.973 511 HH22 ARG 72 2HH2 ARG 72 14.814 11.799 3.224 512 H HIS 73 H HIS 73 10.769 10.116 -3.518 513 HA HIS 73 HA HIS 73 12.827 9.715 -4.337 514 HB2 HIS 73 2HB HIS 73 13.613 11.072 -2.326 515 HB3 HIS 73 1HB HIS 73 13.800 9.575 -1.445 516 HD1 HIS 73 1HD HIS 73 16.277 9.013 -1.284 517 HD2 HIS 73 2HD HIS 73 15.287 10.919 -4.849 518 HE1 HIS 73 1HE HIS 73 18.391 9.199 -2.582 519 HA PRO 74 HA PRO 74 12.844 5.279 -4.961 520 HB2 PRO 74 2HB PRO 74 15.800 5.663 -5.163 521 HB3 PRO 74 1HB PRO 74 14.715 4.741 -6.211 522 HG2 PRO 74 2HG PRO 74 15.537 7.132 -6.955 523 HG3 PRO 74 1HG PRO 74 13.853 6.652 -7.215 524 HD2 PRO 74 2HD PRO 74 14.990 8.545 -5.214 525 HD3 PRO 74 1HD PRO 74 13.413 8.551 -6.031 526 H GLU 75 H GLU 75 14.498 6.589 -2.285 527 HA GLU 75 HA GLU 75 15.444 4.113 -1.179 528 HB2 GLU 75 2HB GLU 75 15.636 5.450 0.931 529 HB3 GLU 75 1HB GLU 75 16.473 6.166 -0.439 530 HG2 GLU 75 2HG GLU 75 14.488 7.638 -0.777 531 HG3 GLU 75 1HG GLU 75 13.842 7.010 0.737 532 H SER 76 H SER 76 12.494 5.855 -1.336 533 HA SER 76 HA SER 76 11.125 4.135 0.526 534 HB2 SER 76 2HB SER 76 10.113 6.354 -1.274 535 HB3 SER 76 1HB SER 76 9.245 5.614 0.074 536 HG SER 76 HG SER 76 11.109 7.605 0.086 537 H ASP 77 H ASP 77 10.509 2.269 -0.235 538 HA ASP 77 HA ASP 77 10.764 1.426 -2.907 539 HB2 ASP 77 2HB ASP 77 10.854 -0.108 -0.967 540 HB3 ASP 77 1HB ASP 77 9.129 0.120 -0.723 541 H ILE 78 H ILE 78 7.981 2.577 -1.125 542 HA ILE 78 HA ILE 78 6.415 2.474 -3.600 543 HB ILE 78 HB ILE 78 5.374 2.975 -0.785 544 HG12 ILE 78 2HG1 ILE 78 6.230 0.707 -0.983 545 HG13 ILE 78 1HG1 ILE 78 4.472 0.692 -0.845 546 HG21 ILE 78 1HG2 ILE 78 3.894 2.360 -3.347 547 HG22 ILE 78 2HG2 ILE 78 3.991 3.937 -2.569 548 HG23 ILE 78 3HG2 ILE 78 3.160 2.604 -1.762 549 HD11 ILE 78 3HD1 ILE 78 5.225 -0.949 -2.452 550 HD12 ILE 78 1HD1 ILE 78 6.101 0.291 -3.349 551 HD13 ILE 78 2HD1 ILE 78 4.339 0.329 -3.282 552 H PHE 79 H PHE 79 6.975 4.256 -4.634 553 HA PHE 79 HA PHE 79 7.199 6.767 -3.202 554 HB2 PHE 79 2HB PHE 79 9.004 6.280 -4.753 555 HB3 PHE 79 1HB PHE 79 7.856 6.004 -6.056 556 HD1 PHE 79 2HD PHE 79 8.729 8.680 -3.621 557 HD2 PHE 79 1HD PHE 79 7.621 7.687 -7.596 558 HE1 PHE 79 2HE PHE 79 8.888 11.062 -4.255 559 HE2 PHE 79 1HE PHE 79 7.772 10.051 -8.244 560 HZ PHE 79 HZ PHE 79 8.404 11.746 -6.574 561 H LEU 80 H LEU 80 5.421 7.801 -2.901 562 HA LEU 80 HA LEU 80 3.252 7.882 -4.955 563 HB2 LEU 80 2HB LEU 80 3.121 8.275 -1.956 564 HB3 LEU 80 1HB LEU 80 1.774 8.292 -3.070 565 HG LEU 80 HG LEU 80 3.446 5.882 -2.373 566 HD11 LEU 80 1HD1 LEU 80 2.043 6.591 -0.522 567 HD12 LEU 80 2HD1 LEU 80 1.433 5.092 -1.228 568 HD13 LEU 80 3HD1 LEU 80 0.634 6.623 -1.583 569 HD21 LEU 80 3HD2 LEU 80 1.736 4.610 -3.602 570 HD22 LEU 80 1HD2 LEU 80 2.586 5.742 -4.654 571 HD23 LEU 80 2HD2 LEU 80 0.963 6.121 -4.076 572 H ASP 81 H ASP 81 3.155 9.864 -5.875 573 HA ASP 81 HA ASP 81 4.434 12.062 -4.442 574 HB2 ASP 81 2HB ASP 81 5.036 11.802 -6.806 575 HB3 ASP 81 1HB ASP 81 3.342 11.970 -7.263 576 H ASP 82 H ASP 82 3.331 13.348 -3.265 577 HA ASP 82 HA ASP 82 0.385 13.533 -3.538 578 HB2 ASP 82 2HB ASP 82 1.394 12.166 -1.553 579 HB3 ASP 82 1HB ASP 82 1.944 13.711 -0.938 580 H VAL 83 H VAL 83 0.053 15.512 -1.596 581 HA VAL 83 HA VAL 83 0.901 17.894 -2.987 582 HB VAL 83 HB VAL 83 -0.651 17.564 -0.392 583 HG11 VAL 83 1HG1 VAL 83 -1.470 19.834 -0.798 584 HG12 VAL 83 2HG1 VAL 83 -0.435 19.951 -2.219 585 HG13 VAL 83 3HG1 VAL 83 0.285 19.796 -0.620 586 HG21 VAL 83 3HG2 VAL 83 -2.670 17.916 -1.742 587 HG22 VAL 83 1HG2 VAL 83 -1.798 16.460 -2.230 588 HG23 VAL 83 2HG2 VAL 83 -1.680 17.928 -3.201 589 H THR 84 H THR 84 1.564 16.187 -0.006 590 HA THR 84 HA THR 84 4.100 17.560 0.207 591 HB THR 84 HB THR 84 2.180 17.359 2.569 592 HG1 THR 84 1HG THR 84 2.453 19.191 0.678 593 HG21 THR 84 3HG2 THR 84 3.906 18.606 3.808 594 HG22 THR 84 1HG2 THR 84 4.949 18.578 2.385 595 HG23 THR 84 2HG2 THR 84 4.551 17.073 3.216 596 H VAL 85 H VAL 85 5.285 15.777 -0.185 597 HA VAL 85 HA VAL 85 4.443 13.242 0.936 598 HB VAL 85 HB VAL 85 6.920 13.708 -0.716 599 HG11 VAL 85 1HG1 VAL 85 6.568 11.360 -1.359 600 HG12 VAL 85 2HG1 VAL 85 5.165 11.303 -0.294 601 HG13 VAL 85 3HG1 VAL 85 6.773 11.564 0.380 602 HG21 VAL 85 3HG2 VAL 85 4.154 13.129 -1.734 603 HG22 VAL 85 1HG2 VAL 85 5.621 13.167 -2.712 604 HG23 VAL 85 2HG2 VAL 85 5.029 14.646 -1.941 605 H SER 86 H SER 86 5.335 12.361 2.649 606 HA SER 86 HA SER 86 7.303 13.748 4.165 607 HB2 SER 86 2HB SER 86 6.117 11.008 4.594 608 HB3 SER 86 1HB SER 86 6.863 12.057 5.803 609 HG SER 86 HG SER 86 4.339 11.971 5.118 610 H ARG 87 H ARG 87 9.302 12.767 4.875 611 HA ARG 87 HA ARG 87 10.910 11.699 2.825 612 HB2 ARG 87 2HB ARG 87 12.631 11.452 4.615 613 HB3 ARG 87 1HB ARG 87 11.889 13.039 4.604 614 HG2 ARG 87 2HG ARG 87 10.459 12.336 6.500 615 HG3 ARG 87 1HG ARG 87 11.306 10.792 6.521 616 HD2 ARG 87 2HD ARG 87 12.259 12.180 8.210 617 HD3 ARG 87 1HD ARG 87 13.420 12.044 6.900 618 HE ARG 87 HE ARG 87 11.859 14.401 6.566 619 HH11 ARG 87 1HH1 ARG 87 14.465 13.032 8.514 620 HH12 ARG 87 2HH1 ARG 87 15.108 14.555 8.942 621 HH21 ARG 87 1HH2 ARG 87 12.796 16.480 7.132 622 HH22 ARG 87 2HH2 ARG 87 14.151 16.522 8.168 623 H ARG 88 H ARG 88 9.475 10.283 5.674 624 HA ARG 88 HA ARG 88 9.220 7.682 4.459 625 HB2 ARG 88 2HB ARG 88 10.470 8.198 7.195 626 HB3 ARG 88 1HB ARG 88 9.902 6.641 6.635 627 HG2 ARG 88 2HG ARG 88 11.626 6.504 5.022 628 HG3 ARG 88 1HG ARG 88 12.113 8.176 5.312 629 HD2 ARG 88 2HD ARG 88 13.647 6.649 6.442 630 HD3 ARG 88 1HD ARG 88 12.719 7.590 7.604 631 HE ARG 88 HE ARG 88 11.611 5.002 7.028 632 HH11 ARG 88 1HH1 ARG 88 13.917 6.779 9.045 633 HH12 ARG 88 2HH1 ARG 88 13.940 5.657 10.310 634 HH21 ARG 88 1HH2 ARG 88 11.623 3.383 8.807 635 HH22 ARG 88 2HH2 ARG 88 12.601 3.671 10.154 636 H HIS 89 H HIS 89 7.034 7.926 4.461 637 HA HIS 89 HA HIS 89 5.742 9.341 6.627 638 HB2 HIS 89 2HB HIS 89 5.006 9.295 4.122 639 HB3 HIS 89 1HB HIS 89 4.360 7.707 4.490 640 HD2 HIS 89 2HD HIS 89 2.376 7.913 6.791 641 HE1 HIS 89 1HE HIS 89 1.165 11.688 5.314 642 HE2 HIS 89 2HE HIS 89 0.692 9.855 6.991 643 H ALA 90 H ALA 90 5.874 6.103 5.268 644 HA ALA 90 HA ALA 90 5.552 4.947 7.878 645 HB1 ALA 90 1HB ALA 90 3.605 3.603 7.267 646 HB2 ALA 90 2HB ALA 90 3.492 4.458 5.729 647 HB3 ALA 90 3HB ALA 90 3.222 5.325 7.239 648 H GLU 91 H GLU 91 5.856 2.653 7.772 649 HA GLU 91 HA GLU 91 6.782 1.699 5.217 650 HB2 GLU 91 2HB GLU 91 8.626 0.425 6.350 651 HB3 GLU 91 1HB GLU 91 8.853 2.158 6.345 652 HG2 GLU 91 2HG GLU 91 8.069 2.220 8.693 653 HG3 GLU 91 1HG GLU 91 7.979 0.455 8.670 654 H PHE 92 H PHE 92 6.345 -0.334 4.786 655 HA PHE 92 HA PHE 92 4.363 -1.583 6.529 656 HB2 PHE 92 2HB PHE 92 4.979 -2.119 3.602 657 HB3 PHE 92 1HB PHE 92 3.661 -2.786 4.552 658 HD1 PHE 92 1HD PHE 92 1.739 -1.439 5.128 659 HD2 PHE 92 2HD PHE 92 4.861 0.132 2.721 660 HE1 PHE 92 1HE PHE 92 0.272 0.416 4.449 661 HE2 PHE 92 2HE PHE 92 3.402 1.991 2.034 662 HZ PHE 92 HZ PHE 92 1.109 2.137 2.898 663 H ARG 93 H ARG 93 5.133 -3.137 7.653 664 HA ARG 93 HA ARG 93 7.659 -4.330 6.827 665 HB2 ARG 93 2HB ARG 93 6.517 -3.847 9.564 666 HB3 ARG 93 1HB ARG 93 8.030 -4.683 9.233 667 HG2 ARG 93 2HG ARG 93 8.992 -2.708 8.304 668 HG3 ARG 93 1HG ARG 93 7.450 -1.859 8.396 669 HD2 ARG 93 2HD ARG 93 8.939 -1.183 10.193 670 HD3 ARG 93 1HD ARG 93 7.512 -2.001 10.813 671 HE ARG 93 HE ARG 93 8.844 -3.943 11.195 672 HH11 ARG 93 1HH1 ARG 93 10.725 -1.046 10.366 673 HH12 ARG 93 2HH1 ARG 93 12.050 -1.462 11.354 674 HH21 ARG 93 1HH2 ARG 93 10.646 -4.504 12.545 675 HH22 ARG 93 2HH2 ARG 93 12.022 -3.508 12.637 676 H ILE 94 H ILE 94 7.679 -6.351 6.457 677 HA ILE 94 HA ILE 94 5.433 -7.991 7.339 678 HB ILE 94 HB ILE 94 7.422 -8.447 5.056 679 HG12 ILE 94 2HG1 ILE 94 5.315 -8.418 3.597 680 HG13 ILE 94 1HG1 ILE 94 4.486 -7.746 4.992 681 HG21 ILE 94 1HG2 ILE 94 6.833 -10.553 6.078 682 HG22 ILE 94 2HG2 ILE 94 6.107 -10.426 4.475 683 HG23 ILE 94 3HG2 ILE 94 5.115 -10.182 5.911 684 HD11 ILE 94 3HD1 ILE 94 6.773 -6.471 3.492 685 HD12 ILE 94 1HD1 ILE 94 5.973 -5.793 4.911 686 HD13 ILE 94 2HD1 ILE 94 5.071 -6.007 3.416 687 H ASN 95 H ASN 95 6.072 -9.047 9.093 688 HA ASN 95 HA ASN 95 8.859 -9.940 9.293 689 HB2 ASN 95 2HB ASN 95 7.327 -8.443 11.427 690 HB3 ASN 95 1HB ASN 95 8.800 -9.343 11.738 691 HD21 ASN 95 1HD2 ASN 95 10.732 -8.507 11.070 692 HD22 ASN 95 2HD2 ASN 95 10.920 -6.869 10.532 693 H GLU 96 H GLU 96 8.841 -12.012 9.571 694 HA GLU 96 HA GLU 96 8.326 -14.102 10.262 695 HB2 GLU 96 2HB GLU 96 8.742 -12.828 12.397 696 HB3 GLU 96 1HB GLU 96 7.013 -12.630 12.544 697 HG2 GLU 96 2HG GLU 96 6.694 -14.933 12.918 698 HG3 GLU 96 1HG GLU 96 8.353 -15.312 12.441 699 H GLY 97 H GLY 97 6.570 -12.890 8.415 700 HA2 GLY 97 2HA GLY 97 4.678 -13.639 7.301 701 HA3 GLY 97 1HA GLY 97 4.340 -14.702 8.660 702 H GLU 98 H GLU 98 4.778 -11.654 9.895 703 HA GLU 98 HA GLU 98 1.900 -11.162 9.864 704 HB2 GLU 98 2HB GLU 98 4.023 -10.036 11.689 705 HB3 GLU 98 1HB GLU 98 2.288 -9.811 11.853 706 HG2 GLU 98 2HG GLU 98 2.102 -12.292 12.146 707 HG3 GLU 98 1HG GLU 98 3.858 -12.345 12.206 708 H PHE 99 H PHE 99 1.135 -9.189 9.236 709 HA PHE 99 HA PHE 99 3.041 -7.536 7.728 710 HB2 PHE 99 2HB PHE 99 0.054 -7.931 7.351 711 HB3 PHE 99 1HB PHE 99 1.072 -6.904 6.360 712 HD1 PHE 99 1HD PHE 99 0.175 -10.373 7.184 713 HD2 PHE 99 2HD PHE 99 2.483 -7.849 4.657 714 HE1 PHE 99 1HE PHE 99 0.580 -12.268 5.673 715 HE2 PHE 99 2HE PHE 99 2.901 -9.745 3.142 716 HZ PHE 99 HZ PHE 99 1.946 -11.957 3.649 717 H GLU 100 H GLU 100 3.401 -5.592 8.750 718 HA GLU 100 HA GLU 100 1.152 -4.355 10.147 719 HB2 GLU 100 2HB GLU 100 2.733 -3.554 11.914 720 HB3 GLU 100 1HB GLU 100 2.457 -5.289 11.914 721 HG2 GLU 100 2HG GLU 100 4.605 -5.638 10.800 722 HG3 GLU 100 1HG GLU 100 4.861 -3.894 10.763 723 H VAL 101 H VAL 101 1.041 -2.149 10.100 724 HA VAL 101 HA VAL 101 2.886 -0.812 8.237 725 HB VAL 101 HB VAL 101 0.314 0.279 9.395 726 HG11 VAL 101 1HG1 VAL 101 0.380 1.827 7.500 727 HG12 VAL 101 2HG1 VAL 101 1.907 1.111 6.983 728 HG13 VAL 101 3HG1 VAL 101 1.809 1.960 8.526 729 HG21 VAL 101 3HG2 VAL 101 -0.235 -1.727 8.172 730 HG22 VAL 101 1HG2 VAL 101 0.627 -1.137 6.755 731 HG23 VAL 101 2HG2 VAL 101 -0.827 -0.301 7.311 732 H VAL 102 H VAL 102 4.382 0.417 9.210 733 HA VAL 102 HA VAL 102 3.757 1.361 11.892 734 HB VAL 102 HB VAL 102 6.502 0.610 10.806 735 HG11 VAL 102 1HG1 VAL 102 5.745 1.617 13.550 736 HG12 VAL 102 2HG1 VAL 102 6.655 2.512 12.332 737 HG13 VAL 102 3HG1 VAL 102 7.348 1.063 13.063 738 HG21 VAL 102 3HG2 VAL 102 6.454 -1.150 12.539 739 HG22 VAL 102 1HG2 VAL 102 5.166 -1.353 11.348 740 HG23 VAL 102 2HG2 VAL 102 4.801 -0.685 12.938 741 H ASP 103 H ASP 103 3.767 3.489 12.100 742 HA ASP 103 HA ASP 103 4.440 5.202 9.871 743 HB2 ASP 103 2HB ASP 103 2.450 5.591 11.392 744 HB3 ASP 103 1HB ASP 103 3.586 5.941 12.685 745 H VAL 104 H VAL 104 6.361 6.063 9.662 746 HA VAL 104 HA VAL 104 8.118 6.098 12.001 747 HB VAL 104 HB VAL 104 10.052 5.836 10.370 748 HG11 VAL 104 1HG1 VAL 104 9.773 3.395 10.235 749 HG12 VAL 104 2HG1 VAL 104 8.064 3.581 10.635 750 HG13 VAL 104 3HG1 VAL 104 9.298 4.023 11.814 751 HG21 VAL 104 3HG2 VAL 104 8.779 6.400 8.341 752 HG22 VAL 104 1HG2 VAL 104 7.831 4.929 8.534 753 HG23 VAL 104 2HG2 VAL 104 9.564 4.824 8.204 754 H GLY 105 H GLY 105 6.334 8.075 10.527 755 HA2 GLY 105 2HA GLY 105 8.380 10.157 10.197 756 HA3 GLY 105 1HA GLY 105 6.764 10.208 9.489 757 H SER 106 H SER 106 5.511 9.160 11.836 758 HA SER 106 HA SER 106 4.440 9.670 13.621 759 HB2 SER 106 2HB SER 106 5.524 10.863 15.544 760 HB3 SER 106 1HB SER 106 6.485 9.543 14.901 761 HG SER 106 HG SER 106 7.421 11.457 13.581 762 H LEU 107 H LEU 107 5.836 12.679 12.444 763 HA LEU 107 HA LEU 107 3.608 14.239 13.356 764 HB2 LEU 107 2HB LEU 107 5.795 14.927 11.383 765 HB3 LEU 107 1HB LEU 107 4.569 16.051 11.912 766 HG LEU 107 HG LEU 107 6.509 16.610 13.080 767 HD11 LEU 107 1HD1 LEU 107 4.822 15.008 14.960 768 HD12 LEU 107 2HD1 LEU 107 4.574 16.680 14.461 769 HD13 LEU 107 3HD1 LEU 107 5.994 16.243 15.416 770 HD21 LEU 107 3HD2 LEU 107 7.862 15.057 14.413 771 HD22 LEU 107 1HD2 LEU 107 7.841 14.608 12.707 772 HD23 LEU 107 2HD2 LEU 107 6.854 13.718 13.869 773 H ASN 108 H ASN 108 4.161 12.280 10.657 774 HA ASN 108 HA ASN 108 2.402 13.810 8.957 775 HB2 ASN 108 2HB ASN 108 2.980 12.073 7.219 776 HB3 ASN 108 1HB ASN 108 4.294 13.056 7.842 777 HD21 ASN 108 1HD2 ASN 108 2.876 10.098 9.393 778 HD22 ASN 108 2HD2 ASN 108 4.321 9.217 9.268 779 H GLY 109 H GLY 109 2.082 11.056 10.981 780 HA2 GLY 109 2HA GLY 109 0.192 9.934 11.633 781 HA3 GLY 109 1HA GLY 109 -0.719 11.212 10.875 782 H THR 110 H THR 110 0.785 8.093 10.346 783 HA THR 110 HA THR 110 -0.532 7.652 7.843 784 HB THR 110 HB THR 110 0.726 5.669 9.758 785 HG1 THR 110 1HG THR 110 2.238 7.204 9.174 786 HG21 THR 110 3HG2 THR 110 -0.688 4.636 8.016 787 HG22 THR 110 1HG2 THR 110 1.020 4.280 7.748 788 HG23 THR 110 2HG2 THR 110 0.209 5.508 6.775 789 H TYR 111 H TYR 111 -2.488 6.603 7.532 790 HA TYR 111 HA TYR 111 -4.012 6.029 9.988 791 HB2 TYR 111 2HB TYR 111 -5.128 6.620 7.279 792 HB3 TYR 111 1HB TYR 111 -5.983 6.615 8.806 793 HD1 TYR 111 1HD TYR 111 -5.525 8.452 10.474 794 HD2 TYR 111 2HD TYR 111 -4.074 8.622 6.489 795 HE1 TYR 111 1HE TYR 111 -5.160 10.871 10.703 796 HE2 TYR 111 2HE TYR 111 -3.709 11.025 6.707 797 HH TYR 111 HH TYR 111 -3.629 12.556 9.609 798 H VAL 112 H VAL 112 -4.595 3.973 10.266 799 HA VAL 112 HA VAL 112 -4.732 2.169 7.939 800 HB VAL 112 HB VAL 112 -4.154 1.378 10.838 801 HG11 VAL 112 1HG1 VAL 112 -5.259 -0.384 9.576 802 HG12 VAL 112 2HG1 VAL 112 -3.583 -0.832 9.889 803 HG13 VAL 112 3HG1 VAL 112 -4.057 -0.250 8.297 804 HG21 VAL 112 3HG2 VAL 112 -2.223 1.550 8.521 805 HG22 VAL 112 1HG2 VAL 112 -1.851 0.904 10.119 806 HG23 VAL 112 2HG2 VAL 112 -2.254 2.611 9.928 807 H ASN 113 H ASN 113 -6.692 0.903 7.866 808 HA ASN 113 HA ASN 113 -8.989 1.010 7.779 809 HB2 ASN 113 2HB ASN 113 -8.556 1.246 10.789 810 HB3 ASN 113 1HB ASN 113 -10.147 1.107 10.072 811 HD21 ASN 113 1HD2 ASN 113 -9.466 -0.848 8.110 812 HD22 ASN 113 2HD2 ASN 113 -9.079 -2.303 8.945 813 H ARG 114 H ARG 114 -7.543 3.363 7.395 814 HA ARG 114 HA ARG 114 -7.595 5.595 7.335 815 HB2 ARG 114 2HB ARG 114 -10.498 4.922 7.350 816 HB3 ARG 114 1HB ARG 114 -10.012 6.614 7.393 817 HG2 ARG 114 2HG ARG 114 -8.766 6.341 5.331 818 HG3 ARG 114 1HG ARG 114 -9.136 4.619 5.312 819 HD2 ARG 114 2HD ARG 114 -11.314 6.671 5.356 820 HD3 ARG 114 1HD ARG 114 -10.533 6.211 3.847 821 HE ARG 114 HE ARG 114 -11.302 3.932 4.247 822 HH11 ARG 114 1HH1 ARG 114 -12.863 6.249 6.410 823 HH12 ARG 114 2HH1 ARG 114 -14.376 5.461 6.311 824 HH21 ARG 114 1HH2 ARG 114 -13.228 2.908 4.170 825 HH22 ARG 114 2HH2 ARG 114 -14.628 3.491 4.993 826 H GLU 115 H GLU 115 -7.566 4.277 10.124 827 HA GLU 115 HA GLU 115 -8.295 6.604 11.750 828 HB2 GLU 115 2HB GLU 115 -7.513 3.784 12.534 829 HB3 GLU 115 1HB GLU 115 -8.039 5.044 13.640 830 HG2 GLU 115 2HG GLU 115 -9.752 3.908 11.440 831 HG3 GLU 115 1HG GLU 115 -9.752 3.310 13.093 832 HA PRO 116 HA PRO 116 -3.909 7.576 11.820 833 HB2 PRO 116 2HB PRO 116 -3.905 9.050 14.161 834 HB3 PRO 116 1HB PRO 116 -4.324 9.695 12.573 835 HG2 PRO 116 2HG PRO 116 -6.106 8.835 14.799 836 HG3 PRO 116 1HG PRO 116 -6.313 10.155 13.641 837 HD2 PRO 116 2HD PRO 116 -7.647 7.798 13.453 838 HD3 PRO 116 1HD PRO 116 -7.211 8.776 12.038 839 H ARG 117 H ARG 117 -2.369 6.219 12.414 840 HA ARG 117 HA ARG 117 -2.304 5.199 15.142 841 HB2 ARG 117 2HB ARG 117 -2.396 3.536 12.643 842 HB3 ARG 117 1HB ARG 117 -1.615 2.950 14.099 843 HG2 ARG 117 2HG ARG 117 -4.472 3.853 13.977 844 HG3 ARG 117 1HG ARG 117 -3.925 2.173 13.775 845 HD2 ARG 117 2HD ARG 117 -2.969 2.189 15.972 846 HD3 ARG 117 1HD ARG 117 -3.389 3.879 16.214 847 HE ARG 117 HE ARG 117 -5.724 2.574 15.624 848 HH11 ARG 117 1HH1 ARG 117 -3.226 2.142 18.121 849 HH12 ARG 117 2HH1 ARG 117 -4.304 1.687 19.335 850 HH21 ARG 117 1HH2 ARG 117 -7.236 1.960 17.332 851 HH22 ARG 117 2HH2 ARG 117 -6.631 1.576 18.879 852 H ASN 118 H ASN 118 -0.304 4.150 15.581 853 HA ASN 118 HA ASN 118 1.910 5.385 14.094 854 HB2 ASN 118 2HB ASN 118 1.880 4.247 16.899 855 HB3 ASN 118 1HB ASN 118 3.323 4.842 16.095 856 HD21 ASN 118 1HD2 ASN 118 3.503 7.077 15.702 857 HD22 ASN 118 2HD2 ASN 118 2.565 8.222 16.575 858 H ALA 119 H ALA 119 0.665 2.391 15.398 859 HA ALA 119 HA ALA 119 1.978 1.019 13.218 860 HB1 ALA 119 1HB ALA 119 3.602 0.794 15.047 861 HB2 ALA 119 2HB ALA 119 2.837 -0.754 14.695 862 HB3 ALA 119 3HB ALA 119 2.332 0.178 16.106 863 H GLN 120 H GLN 120 0.662 -0.506 12.470 864 HA GLN 120 HA GLN 120 -1.432 -1.620 14.162 865 HB2 GLN 120 2HB GLN 120 -2.050 0.683 12.794 866 HB3 GLN 120 1HB GLN 120 -2.539 -0.554 11.649 867 HG2 GLN 120 2HG GLN 120 -3.520 -0.276 14.489 868 HG3 GLN 120 1HG GLN 120 -4.401 0.172 13.037 869 HE21 GLN 120 1HE2 GLN 120 -5.312 -1.428 11.782 870 HE22 GLN 120 2HE2 GLN 120 -5.488 -3.046 12.326 871 H VAL 121 H VAL 121 -2.180 -3.568 13.373 872 HA VAL 121 HA VAL 121 -0.554 -4.876 11.398 873 HB VAL 121 HB VAL 121 -3.109 -5.843 12.718 874 HG11 VAL 121 1HG1 VAL 121 -0.889 -7.395 11.395 875 HG12 VAL 121 2HG1 VAL 121 -2.497 -7.114 10.734 876 HG13 VAL 121 3HG1 VAL 121 -2.307 -8.091 12.187 877 HG21 VAL 121 3HG2 VAL 121 -1.441 -5.241 14.400 878 HG22 VAL 121 1HG2 VAL 121 -0.258 -6.267 13.593 879 HG23 VAL 121 2HG2 VAL 121 -1.683 -6.988 14.347 880 H MET 122 H MET 122 -1.020 -5.003 9.258 881 HA MET 122 HA MET 122 -3.518 -3.782 8.412 882 HB2 MET 122 2HB MET 122 -2.519 -3.781 6.108 883 HB3 MET 122 1HB MET 122 -1.652 -2.812 7.277 884 HG2 MET 122 2HG MET 122 -0.018 -4.687 7.509 885 HG3 MET 122 1HG MET 122 -0.877 -5.520 6.213 886 HE1 MET 122 3HE MET 122 2.281 -4.850 6.136 887 HE2 MET 122 1HE MET 122 2.451 -4.311 4.461 888 HE3 MET 122 2HE MET 122 1.434 -5.687 4.826 889 H GLN 123 H GLN 123 -5.116 -4.790 7.486 890 HA GLN 123 HA GLN 123 -4.929 -7.687 7.318 891 HB2 GLN 123 2HB GLN 123 -6.227 -6.707 9.173 892 HB3 GLN 123 1HB GLN 123 -7.218 -5.852 8.007 893 HG2 GLN 123 2HG GLN 123 -8.049 -7.935 7.153 894 HG3 GLN 123 1HG GLN 123 -6.917 -8.784 8.219 895 HE21 GLN 123 1HE2 GLN 123 -9.848 -8.797 8.044 896 HE22 GLN 123 2HE2 GLN 123 -10.406 -8.446 9.650 897 H THR 124 H THR 124 -6.305 -8.644 5.630 898 HA THR 124 HA THR 124 -6.174 -7.164 3.226 899 HB THR 124 HB THR 124 -5.905 -9.622 3.239 900 HG1 THR 124 1HG THR 124 -7.894 -9.855 1.560 901 HG21 THR 124 3HG2 THR 124 -7.846 -11.126 3.428 902 HG22 THR 124 1HG2 THR 124 -8.863 -9.746 3.850 903 HG23 THR 124 2HG2 THR 124 -7.555 -10.240 4.925 904 H GLY 125 H GLY 125 -7.569 -5.815 2.362 905 HA2 GLY 125 2HA GLY 125 -9.740 -4.999 1.824 906 HA3 GLY 125 1HA GLY 125 -10.371 -5.810 3.254 907 H ASP 126 H ASP 126 -7.530 -4.475 4.160 908 HA ASP 126 HA ASP 126 -8.806 -2.390 5.701 909 HB2 ASP 126 2HB ASP 126 -6.816 -3.955 6.350 910 HB3 ASP 126 1HB ASP 126 -5.841 -2.814 5.445 911 H GLU 127 H GLU 127 -8.140 -0.178 5.578 912 HA GLU 127 HA GLU 127 -7.095 0.579 2.947 913 HB2 GLU 127 2HB GLU 127 -9.175 2.029 4.579 914 HB3 GLU 127 1HB GLU 127 -8.453 2.617 3.095 915 HG2 GLU 127 2HG GLU 127 -9.440 0.733 1.887 916 HG3 GLU 127 1HG GLU 127 -10.197 0.190 3.391 917 H ILE 128 H ILE 128 -5.377 1.713 3.085 918 HA ILE 128 HA ILE 128 -4.667 2.965 5.631 919 HB ILE 128 HB ILE 128 -2.834 1.956 3.400 920 HG12 ILE 128 2HG1 ILE 128 -1.820 0.556 5.301 921 HG13 ILE 128 1HG1 ILE 128 -3.235 0.989 6.243 922 HG21 ILE 128 1HG2 ILE 128 -2.043 3.379 5.929 923 HG22 ILE 128 2HG2 ILE 128 -1.941 4.013 4.287 924 HG23 ILE 128 3HG2 ILE 128 -0.933 2.645 4.768 925 HD11 ILE 128 3HD1 ILE 128 -3.441 -1.232 5.281 926 HD12 ILE 128 1HD1 ILE 128 -3.225 -0.569 3.660 927 HD13 ILE 128 2HD1 ILE 128 -4.656 -0.148 4.601 928 H GLN 129 H GLN 129 -4.424 5.109 5.587 929 HA GLN 129 HA GLN 129 -4.710 6.432 2.968 930 HB2 GLN 129 2HB GLN 129 -6.617 6.795 4.524 931 HB3 GLN 129 1HB GLN 129 -5.525 7.466 5.710 932 HG2 GLN 129 2HG GLN 129 -6.616 9.281 4.705 933 HG3 GLN 129 1HG GLN 129 -4.981 9.263 4.050 934 HE21 GLN 129 1HE2 GLN 129 -5.621 10.448 2.246 935 HE22 GLN 129 2HE2 GLN 129 -6.589 9.727 1.001 936 H ILE 130 H ILE 130 -3.000 7.495 2.321 937 HA ILE 130 HA ILE 130 -1.136 8.608 4.291 938 HB ILE 130 HB ILE 130 -0.397 7.104 1.748 939 HG12 ILE 130 2HG1 ILE 130 0.341 6.606 4.646 940 HG13 ILE 130 1HG1 ILE 130 -0.801 5.669 3.694 941 HG21 ILE 130 1HG2 ILE 130 1.954 7.663 2.215 942 HG22 ILE 130 2HG2 ILE 130 1.437 8.699 3.545 943 HG23 ILE 130 3HG2 ILE 130 0.986 9.102 1.889 944 HD11 ILE 130 3HD1 ILE 130 2.163 5.889 3.191 945 HD12 ILE 130 1HD1 ILE 130 1.024 4.934 2.243 946 HD13 ILE 130 2HD1 ILE 130 1.333 4.521 3.930 947 H GLY 131 H GLY 131 -1.558 10.686 4.110 948 HA2 GLY 131 2HA GLY 131 -1.729 12.778 3.176 949 HA3 GLY 131 1HA GLY 131 -1.049 12.101 1.692 950 H LYS 132 H LYS 132 -2.348 12.201 0.030 951 HA LYS 132 HA LYS 132 -5.195 11.984 0.590 952 HB2 LYS 132 2HB LYS 132 -5.598 13.099 -1.608 953 HB3 LYS 132 1HB LYS 132 -4.772 14.093 -0.437 954 HG2 LYS 132 2HG LYS 132 -3.758 14.560 -2.506 955 HG3 LYS 132 1HG LYS 132 -2.620 13.526 -1.657 956 HD2 LYS 132 2HD LYS 132 -2.757 12.855 -3.979 957 HD3 LYS 132 1HD LYS 132 -3.457 11.601 -2.963 958 HE2 LYS 132 2HE LYS 132 -4.807 12.025 -4.984 959 HE3 LYS 132 1HE LYS 132 -5.712 12.357 -3.515 960 HZ1 LYS 132 3HZ LYS 132 -6.016 14.013 -5.265 961 HZ2 LYS 132 1HZ LYS 132 -4.381 14.401 -5.220 962 HZ3 LYS 132 2HZ LYS 132 -5.385 14.709 -3.876 963 H PHE 133 H PHE 133 -2.865 10.026 -0.069 964 HA PHE 133 HA PHE 133 -4.070 8.513 -2.213 965 HB2 PHE 133 2HB PHE 133 -1.677 8.043 -0.459 966 HB3 PHE 133 1HB PHE 133 -2.290 6.813 -1.549 967 HD1 PHE 133 2HD PHE 133 -0.763 10.148 -1.342 968 HD2 PHE 133 1HD PHE 133 -1.868 6.906 -3.839 969 HE1 PHE 133 2HE PHE 133 0.599 11.083 -3.161 970 HE2 PHE 133 1HE PHE 133 -0.510 7.824 -5.653 971 HZ PHE 133 HZ PHE 133 0.727 9.917 -5.316 972 H ARG 134 H ARG 134 -5.341 6.885 -2.001 973 HA ARG 134 HA ARG 134 -5.996 5.848 0.687 974 HB2 ARG 134 2HB ARG 134 -7.888 6.890 -0.597 975 HB3 ARG 134 1HB ARG 134 -7.572 5.779 -1.919 976 HG2 ARG 134 2HG ARG 134 -9.373 4.795 -0.865 977 HG3 ARG 134 1HG ARG 134 -8.011 3.934 -0.162 978 HD2 ARG 134 2HD ARG 134 -9.474 4.454 1.632 979 HD3 ARG 134 1HD ARG 134 -8.122 5.575 1.759 980 HE ARG 134 HE ARG 134 -9.496 7.325 1.014 981 HH11 ARG 134 1HH1 ARG 134 -11.322 4.255 1.407 982 HH12 ARG 134 2HH1 ARG 134 -12.829 4.990 1.457 983 HH21 ARG 134 1HH2 ARG 134 -11.702 8.339 1.100 984 HH22 ARG 134 2HH2 ARG 134 -13.053 7.320 1.274 985 H LEU 135 H LEU 135 -5.081 3.887 0.978 986 HA LEU 135 HA LEU 135 -4.365 2.283 -1.383 987 HB2 LEU 135 2HB LEU 135 -3.171 2.227 1.380 988 HB3 LEU 135 1HB LEU 135 -2.597 1.359 -0.027 989 HG LEU 135 HG LEU 135 -2.562 4.345 0.308 990 HD11 LEU 135 1HD1 LEU 135 -1.009 3.261 1.834 991 HD12 LEU 135 2HD1 LEU 135 -0.135 4.083 0.541 992 HD13 LEU 135 3HD1 LEU 135 -0.325 2.331 0.500 993 HD21 LEU 135 3HD2 LEU 135 -1.098 4.310 -1.667 994 HD22 LEU 135 1HD2 LEU 135 -2.718 3.702 -2.012 995 HD23 LEU 135 2HD2 LEU 135 -1.373 2.575 -1.815 996 H VAL 136 H VAL 136 -5.037 0.216 -1.385 997 HA VAL 136 HA VAL 136 -6.530 -0.707 0.974 998 HB VAL 136 HB VAL 136 -7.064 -1.440 -1.938 999 HG11 VAL 136 1HG1 VAL 136 -7.484 -3.334 -0.437 1000 HG12 VAL 136 2HG1 VAL 136 -8.994 -2.697 -1.083 1001 HG13 VAL 136 3HG1 VAL 136 -8.513 -2.314 0.570 1002 HG21 VAL 136 3HG2 VAL 136 -9.187 -0.284 -1.656 1003 HG22 VAL 136 1HG2 VAL 136 -7.846 0.811 -1.322 1004 HG23 VAL 136 2HG2 VAL 136 -8.766 0.113 0.009 1005 H PHE 137 H PHE 137 -5.702 -2.407 1.910 1006 HA PHE 137 HA PHE 137 -3.451 -3.766 0.642 1007 HB2 PHE 137 2HB PHE 137 -3.159 -2.876 2.914 1008 HB3 PHE 137 1HB PHE 137 -4.503 -3.858 3.478 1009 HD1 PHE 137 2HD PHE 137 -1.170 -4.130 1.882 1010 HD2 PHE 137 1HD PHE 137 -4.091 -5.949 4.363 1011 HE1 PHE 137 2HE PHE 137 0.404 -5.939 2.412 1012 HE2 PHE 137 1HE PHE 137 -2.535 -7.760 4.897 1013 HZ PHE 137 HZ PHE 137 -0.277 -7.756 3.923 1014 H LEU 138 H LEU 138 -3.627 -5.812 -0.153 1015 HA LEU 138 HA LEU 138 -6.007 -7.364 0.576 1016 HB2 LEU 138 2HB LEU 138 -4.911 -6.922 -2.202 1017 HB3 LEU 138 1HB LEU 138 -6.187 -8.047 -1.795 1018 HG LEU 138 HG LEU 138 -6.401 -5.060 -1.410 1019 HD11 LEU 138 1HD1 LEU 138 -7.465 -6.793 -3.636 1020 HD12 LEU 138 2HD1 LEU 138 -6.188 -5.587 -3.775 1021 HD13 LEU 138 3HD1 LEU 138 -7.836 -5.087 -3.391 1022 HD21 LEU 138 3HD2 LEU 138 -8.465 -7.265 -1.325 1023 HD22 LEU 138 1HD2 LEU 138 -8.801 -5.540 -1.190 1024 HD23 LEU 138 2HD2 LEU 138 -7.862 -6.351 0.058 1025 H ALA 139 H ALA 139 -5.557 -9.397 1.038 1026 HA ALA 139 HA ALA 139 -2.835 -10.374 0.528 1027 HB1 ALA 139 1HB ALA 139 -4.935 -11.431 2.430 1028 HB2 ALA 139 2HB ALA 139 -3.565 -10.415 2.879 1029 HB3 ALA 139 3HB ALA 139 -3.290 -12.044 2.264 1030 H GLY 140 H GLY 140 -2.564 -11.855 -1.050 1031 HA2 GLY 140 2HA GLY 140 -4.710 -13.668 -1.658 1032 HA3 GLY 140 1HA GLY 140 -4.401 -12.438 -2.878 1033 HA PRO 141 HA PRO 141 -1.828 -15.964 -4.151 1034 HB2 PRO 141 2HB PRO 141 -2.048 -14.660 -6.771 1035 HB3 PRO 141 1HB PRO 141 -2.534 -16.286 -6.293 1036 HG2 PRO 141 2HG PRO 141 -4.371 -14.415 -6.835 1037 HG3 PRO 141 1HG PRO 141 -4.606 -15.603 -5.541 1038 HD2 PRO 141 2HD PRO 141 -3.698 -12.757 -5.343 1039 HD3 PRO 141 1HD PRO 141 -4.918 -13.633 -4.383 1040 H ALA 142 H ALA 142 0.251 -16.146 -4.646 1041 HA ALA 142 HA ALA 142 2.041 -14.320 -5.819 1042 HB1 ALA 142 1HB ALA 142 1.633 -12.952 -3.800 1043 HB2 ALA 142 2HB ALA 142 3.289 -13.570 -3.817 1044 HB3 ALA 142 3HB ALA 142 2.064 -14.346 -2.806 1045 H GLU 143 H GLU 143 1.344 -17.118 -5.679 1046 HA GLU 143 HA GLU 143 3.778 -18.345 -4.610 1047 HB2 GLU 143 2HB GLU 143 1.710 -18.913 -3.340 1048 HB3 GLU 143 1HB GLU 143 0.970 -19.480 -4.817 1049 HG2 GLU 143 2HG GLU 143 1.642 -21.382 -3.648 1050 HG3 GLU 143 1HG GLU 143 2.827 -21.185 -4.939 Start of MODEL 17 1 H1 MET 1 1HT MET 1 21.264 -12.466 6.346 2 H2 MET 1 2HT MET 1 20.102 -11.271 6.627 3 H3 MET 1 3HT MET 1 21.723 -10.954 6.878 4 HA MET 1 HA MET 1 22.251 -11.079 4.621 5 HB2 MET 1 2HB MET 1 20.558 -11.558 2.902 6 HB3 MET 1 1HB MET 1 20.755 -12.904 4.008 7 HG2 MET 1 2HG MET 1 18.704 -12.215 5.176 8 HG3 MET 1 1HG MET 1 18.487 -10.930 3.983 9 HE1 MET 1 2HE MET 1 17.897 -12.978 0.678 10 HE2 MET 1 3HE MET 1 19.450 -12.385 1.260 11 HE3 MET 1 1HE MET 1 18.010 -11.369 1.390 12 H SER 2 H SER 2 21.383 -9.188 6.640 13 HA SER 2 HA SER 2 19.504 -7.380 5.749 14 HB2 SER 2 2HB SER 2 21.866 -6.966 7.568 15 HB3 SER 2 1HB SER 2 20.330 -6.089 7.580 16 HG SER 2 HG SER 2 20.732 -7.999 9.100 17 H ASP 3 H ASP 3 19.650 -5.816 4.318 18 HA ASP 3 HA ASP 3 22.129 -5.318 2.897 19 HB2 ASP 3 2HB ASP 3 20.708 -4.011 1.318 20 HB3 ASP 3 1HB ASP 3 20.168 -5.671 1.514 21 H ASN 4 H ASN 4 22.025 -2.776 2.101 22 HA ASN 4 HA ASN 4 22.987 -1.492 4.444 23 HB2 ASN 4 2HB ASN 4 22.818 -0.530 1.594 24 HB3 ASN 4 1HB ASN 4 23.356 0.505 2.901 25 HD21 ASN 4 1HD2 ASN 4 25.367 0.737 1.947 26 HD22 ASN 4 2HD2 ASN 4 26.550 -0.518 1.981 27 H ASN 5 H ASN 5 21.441 -1.008 5.853 28 HA ASN 5 HA ASN 5 19.366 0.857 5.035 29 HB2 ASN 5 2HB ASN 5 18.755 -0.782 6.795 30 HB3 ASN 5 1HB ASN 5 20.103 -0.220 7.780 31 HD21 ASN 5 1HD2 ASN 5 19.910 1.676 8.917 32 HD22 ASN 5 2HD2 ASN 5 18.406 2.504 9.126 33 H GLY 6 H GLY 6 20.282 2.698 4.497 34 HA2 GLY 6 2HA GLY 6 22.542 3.635 6.069 35 HA3 GLY 6 1HA GLY 6 22.092 4.178 4.458 36 H THR 7 H THR 7 22.463 6.232 5.555 37 HA THR 7 HA THR 7 19.972 7.170 6.774 38 HB THR 7 HB THR 7 22.772 8.244 7.283 39 HG1 THR 7 1HG THR 7 21.132 6.490 8.807 40 HG21 THR 7 3HG2 THR 7 21.685 9.451 9.140 41 HG22 THR 7 1HG2 THR 7 20.129 8.762 8.670 42 HG23 THR 7 2HG2 THR 7 20.963 9.883 7.592 43 HA PRO 8 HA PRO 8 20.056 9.558 2.915 44 HB2 PRO 8 2HB PRO 8 18.185 11.273 4.480 45 HB3 PRO 8 1HB PRO 8 17.986 10.581 2.865 46 HG2 PRO 8 2HG PRO 8 16.668 9.565 4.944 47 HG3 PRO 8 1HG PRO 8 17.333 8.517 3.680 48 HD2 PRO 8 2HD PRO 8 18.361 9.040 6.438 49 HD3 PRO 8 1HD PRO 8 18.360 7.535 5.490 50 H GLU 9 H GLU 9 20.929 11.545 2.288 51 HA GLU 9 HA GLU 9 22.812 12.601 4.151 52 HB2 GLU 9 2HB GLU 9 22.189 13.365 1.286 53 HB3 GLU 9 1HB GLU 9 23.467 14.089 2.226 54 HG2 GLU 9 2HG GLU 9 24.440 12.488 0.758 55 HG3 GLU 9 1HG GLU 9 24.533 11.837 2.386 56 HA PRO 10 HA PRO 10 19.974 15.594 5.797 57 HB2 PRO 10 2HB PRO 10 22.475 16.997 6.501 58 HB3 PRO 10 1HB PRO 10 21.112 16.522 7.523 59 HG2 PRO 10 2HG PRO 10 23.443 15.199 7.594 60 HG3 PRO 10 1HG PRO 10 21.890 14.376 7.805 61 HD2 PRO 10 2HD PRO 10 23.705 14.400 5.438 62 HD3 PRO 10 1HD PRO 10 22.611 13.137 6.046 63 H GLN 11 H GLN 11 19.102 16.541 4.072 64 HA GLN 11 HA GLN 11 20.438 18.879 2.899 65 HB2 GLN 11 2HB GLN 11 17.746 17.676 2.151 66 HB3 GLN 11 1HB GLN 11 18.628 18.906 1.286 67 HG2 GLN 11 2HG GLN 11 19.448 16.023 1.547 68 HG3 GLN 11 1HG GLN 11 18.694 16.762 0.137 69 HE21 GLN 11 1HE2 GLN 11 21.554 16.332 1.933 70 HE22 GLN 11 2HE2 GLN 11 22.633 17.094 0.807 71 H VAL 12 H VAL 12 18.855 20.825 2.815 72 HA VAL 12 HA VAL 12 17.285 20.738 5.301 73 HB VAL 12 HB VAL 12 18.106 23.201 3.720 74 HG11 VAL 12 1HG1 VAL 12 17.018 22.926 6.523 75 HG12 VAL 12 2HG1 VAL 12 16.135 23.520 5.120 76 HG13 VAL 12 3HG1 VAL 12 17.503 24.436 5.751 77 HG21 VAL 12 3HG2 VAL 12 19.806 23.602 5.456 78 HG22 VAL 12 1HG2 VAL 12 20.111 22.107 4.570 79 HG23 VAL 12 2HG2 VAL 12 19.412 22.045 6.187 80 H GLU 13 H GLU 13 15.216 20.526 5.068 81 HA GLU 13 HA GLU 13 13.663 21.672 2.978 82 HB2 GLU 13 2HB GLU 13 14.757 19.484 2.071 83 HB3 GLU 13 1HB GLU 13 13.794 18.646 3.263 84 HG2 GLU 13 2HG GLU 13 12.667 20.322 1.018 85 HG3 GLU 13 1HG GLU 13 12.881 18.581 0.946 86 H THR 14 H THR 14 11.457 21.555 3.769 87 HA THR 14 HA THR 14 11.286 20.511 6.491 88 HB THR 14 HB THR 14 9.976 23.051 5.469 89 HG1 THR 14 1HG THR 14 12.197 23.303 5.554 90 HG21 THR 14 3HG2 THR 14 10.369 21.976 8.275 91 HG22 THR 14 1HG2 THR 14 8.847 21.950 7.383 92 HG23 THR 14 2HG2 THR 14 9.573 23.490 7.849 93 H TPO 15 H TPO 15 9.601 19.111 6.749 94 HA TPO 15 HA TPO 15 7.739 18.828 4.506 95 HB TPO 15 HB TPO 15 8.064 17.021 6.916 96 HG21 TPO 15 1HG2 TPO 15 7.210 15.296 5.421 97 HG22 TPO 15 2HG2 TPO 15 7.194 16.440 4.088 98 HG23 TPO 15 3HG2 TPO 15 6.089 16.665 5.446 99 H SER 16 H SER 16 5.664 19.383 4.760 100 HA SER 16 HA SER 16 4.928 20.844 7.129 101 HB2 SER 16 2HB SER 16 3.416 20.451 4.561 102 HB3 SER 16 1HB SER 16 3.178 21.707 5.773 103 HG SER 16 HG SER 16 5.677 21.925 5.102 104 H VAL 17 H VAL 17 3.275 20.325 8.455 105 HA VAL 17 HA VAL 17 1.867 17.797 8.129 106 HB VAL 17 HB VAL 17 1.670 19.900 10.320 107 HG11 VAL 17 1HG1 VAL 17 0.692 17.055 10.260 108 HG12 VAL 17 2HG1 VAL 17 -0.306 18.508 10.215 109 HG13 VAL 17 3HG1 VAL 17 0.630 18.123 11.661 110 HG21 VAL 17 3HG2 VAL 17 3.041 18.407 11.709 111 HG22 VAL 17 1HG2 VAL 17 3.922 18.975 10.289 112 HG23 VAL 17 2HG2 VAL 17 3.260 17.338 10.324 113 H PHE 18 H PHE 18 0.028 17.960 6.879 114 HA PHE 18 HA PHE 18 -1.242 20.559 6.973 115 HB2 PHE 18 2HB PHE 18 -2.268 20.134 4.763 116 HB3 PHE 18 1HB PHE 18 -0.518 20.123 4.705 117 HD1 PHE 18 2HD PHE 18 0.682 18.070 4.204 118 HD2 PHE 18 1HD PHE 18 -3.571 18.152 4.323 119 HE1 PHE 18 2HE PHE 18 0.606 15.928 3.003 120 HE2 PHE 18 1HE PHE 18 -3.652 16.014 3.114 121 HZ PHE 18 HZ PHE 18 -1.559 14.898 2.452 122 H ARG 19 H ARG 19 -3.125 20.823 7.708 123 HA ARG 19 HA ARG 19 -4.647 18.438 8.374 124 HB2 ARG 19 2HB ARG 19 -5.758 19.826 10.122 125 HB3 ARG 19 1HB ARG 19 -4.035 19.617 10.386 126 HG2 ARG 19 2HG ARG 19 -3.671 21.885 9.494 127 HG3 ARG 19 1HG ARG 19 -5.420 22.067 9.325 128 HD2 ARG 19 2HD ARG 19 -5.630 21.618 11.755 129 HD3 ARG 19 1HD ARG 19 -3.870 21.601 11.855 130 HE ARG 19 HE ARG 19 -4.742 23.976 10.643 131 HH11 ARG 19 1HH1 ARG 19 -4.541 22.400 13.780 132 HH12 ARG 19 2HH1 ARG 19 -4.596 23.843 14.676 133 HH21 ARG 19 1HH2 ARG 19 -4.815 25.977 11.858 134 HH22 ARG 19 2HH2 ARG 19 -4.782 25.933 13.547 135 H ALA 20 H ALA 20 -6.034 18.066 6.834 136 HA ALA 20 HA ALA 20 -7.390 20.382 5.656 137 HB1 ALA 20 1HB ALA 20 -6.824 17.706 4.393 138 HB2 ALA 20 2HB ALA 20 -5.967 19.214 4.066 139 HB3 ALA 20 3HB ALA 20 -7.667 19.049 3.626 140 H ASP 21 H ASP 21 -9.529 19.903 4.751 141 HA ASP 21 HA ASP 21 -11.358 19.029 6.733 142 HB2 ASP 21 2HB ASP 21 -11.888 20.816 5.162 143 HB3 ASP 21 1HB ASP 21 -11.764 19.700 3.815 144 H LEU 22 H LEU 22 -9.602 17.228 4.639 145 HA LEU 22 HA LEU 22 -11.387 15.385 3.598 146 HB2 LEU 22 2HB LEU 22 -9.410 13.927 3.254 147 HB3 LEU 22 1HB LEU 22 -9.222 15.557 2.657 148 HG LEU 22 HG LEU 22 -7.985 15.953 4.926 149 HD11 LEU 22 1HD1 LEU 22 -7.649 12.982 4.650 150 HD12 LEU 22 2HD1 LEU 22 -8.507 13.818 5.941 151 HD13 LEU 22 3HD1 LEU 22 -6.765 14.033 5.759 152 HD21 LEU 22 3HD2 LEU 22 -5.869 15.283 3.862 153 HD22 LEU 22 1HD2 LEU 22 -6.941 16.158 2.767 154 HD23 LEU 22 2HD2 LEU 22 -6.801 14.407 2.645 155 H LEU 23 H LEU 23 -10.196 15.575 6.866 156 HA LEU 23 HA LEU 23 -10.839 12.856 7.492 157 HB2 LEU 23 2HB LEU 23 -10.114 15.218 9.195 158 HB3 LEU 23 1HB LEU 23 -10.476 13.639 9.839 159 HG LEU 23 HG LEU 23 -8.185 14.290 7.985 160 HD11 LEU 23 1HD1 LEU 23 -8.226 13.672 10.934 161 HD12 LEU 23 2HD1 LEU 23 -7.945 15.255 10.217 162 HD13 LEU 23 3HD1 LEU 23 -6.791 13.948 9.945 163 HD21 LEU 23 3HD2 LEU 23 -8.932 11.746 9.431 164 HD22 LEU 23 1HD2 LEU 23 -7.429 12.018 8.551 165 HD23 LEU 23 2HD2 LEU 23 -8.963 12.000 7.688 166 H LYS 24 H LYS 24 -12.429 15.912 7.522 167 HA LYS 24 HA LYS 24 -14.248 15.640 9.567 168 HB2 LYS 24 2HB LYS 24 -13.728 17.731 8.330 169 HB3 LYS 24 1HB LYS 24 -14.624 17.136 6.959 170 HG2 LYS 24 2HG LYS 24 -15.959 17.503 9.626 171 HG3 LYS 24 1HG LYS 24 -15.694 18.876 8.562 172 HD2 LYS 24 2HD LYS 24 -17.245 16.382 7.860 173 HD3 LYS 24 1HD LYS 24 -17.960 17.906 8.373 174 HE2 LYS 24 2HE LYS 24 -16.381 17.381 5.850 175 HE3 LYS 24 1HE LYS 24 -18.094 17.738 5.977 176 HZ1 LYS 24 3HZ LYS 24 -17.357 19.983 6.933 177 HZ2 LYS 24 1HZ LYS 24 -17.052 19.707 5.295 178 HZ3 LYS 24 2HZ LYS 24 -15.802 19.581 6.365 179 H GLU 25 H GLU 25 -14.653 14.626 6.196 180 HA GLU 25 HA GLU 25 -17.313 13.727 6.571 181 HB2 GLU 25 2HB GLU 25 -17.105 12.620 4.426 182 HB3 GLU 25 1HB GLU 25 -16.439 14.240 4.330 183 HG2 GLU 25 2HG GLU 25 -14.224 13.432 4.253 184 HG3 GLU 25 1HG GLU 25 -14.705 11.831 4.799 185 H MET 26 H MET 26 -14.190 12.165 6.962 186 HA MET 26 HA MET 26 -15.404 9.567 6.883 187 HB2 MET 26 2HB MET 26 -13.230 8.579 7.078 188 HB3 MET 26 1HB MET 26 -13.166 9.878 5.903 189 HG2 MET 26 2HG MET 26 -12.130 11.322 7.595 190 HG3 MET 26 1HG MET 26 -12.157 9.983 8.736 191 HE1 MET 26 3HE MET 26 -10.648 11.395 5.426 192 HE2 MET 26 1HE MET 26 -11.359 9.890 4.844 193 HE3 MET 26 2HE MET 26 -9.608 10.078 4.879 194 H GLU 27 H GLU 27 -14.462 11.761 9.385 195 HA GLU 27 HA GLU 27 -14.223 9.973 11.516 196 HB2 GLU 27 2HB GLU 27 -15.448 12.714 11.556 197 HB3 GLU 27 1HB GLU 27 -14.925 11.814 12.965 198 HG2 GLU 27 2HG GLU 27 -12.629 11.866 12.107 199 HG3 GLU 27 1HG GLU 27 -13.189 12.854 10.752 200 H SER 28 H SER 28 -17.129 11.628 10.315 201 HA SER 28 HA SER 28 -18.941 10.540 12.147 202 HB2 SER 28 2HB SER 28 -19.527 11.497 9.366 203 HB3 SER 28 1HB SER 28 -20.524 11.652 10.820 204 HG SER 28 HG SER 28 -19.167 13.160 11.620 205 H SER 29 H SER 29 -17.571 9.405 9.177 206 HA SER 29 HA SER 29 -19.638 7.452 8.681 207 HB2 SER 29 2HB SER 29 -18.497 8.779 6.862 208 HB3 SER 29 1HB SER 29 -17.020 7.908 7.234 209 HG SER 29 HG SER 29 -19.247 7.118 5.859 210 H THR 30 H THR 30 -16.577 7.651 10.282 211 HA THR 30 HA THR 30 -16.144 4.790 10.087 212 HB THR 30 HB THR 30 -14.338 6.955 11.177 213 HG1 THR 30 1HG THR 30 -14.599 7.167 9.024 214 HG21 THR 30 3HG2 THR 30 -13.866 4.729 12.147 215 HG22 THR 30 1HG2 THR 30 -12.584 5.236 11.045 216 HG23 THR 30 2HG2 THR 30 -13.776 4.049 10.521 217 H GLY 31 H GLY 31 -17.306 3.776 11.457 218 HA2 GLY 31 2HA GLY 31 -16.879 4.314 14.315 219 HA3 GLY 31 1HA GLY 31 -18.440 3.769 13.689 220 H THR 32 H THR 32 -17.184 2.093 11.671 221 HA THR 32 HA THR 32 -16.249 -0.082 13.358 222 HB THR 32 HB THR 32 -17.639 -0.255 10.669 223 HG1 THR 32 1HG THR 32 -19.160 -1.038 12.759 224 HG21 THR 32 3HG2 THR 32 -17.248 -2.281 12.895 225 HG22 THR 32 1HG2 THR 32 -16.360 -2.254 11.372 226 HG23 THR 32 2HG2 THR 32 -18.092 -2.572 11.374 227 H ALA 33 H ALA 33 -14.471 -1.243 12.536 228 HA ALA 33 HA ALA 33 -13.120 -0.089 10.211 229 HB1 ALA 33 1HB ALA 33 -12.021 -1.728 12.511 230 HB2 ALA 33 2HB ALA 33 -11.769 -0.002 12.261 231 HB3 ALA 33 3HB ALA 33 -11.076 -1.168 11.132 232 HA PRO 34 HA PRO 34 -14.418 -3.752 8.113 233 HB2 PRO 34 2HB PRO 34 -12.381 -4.030 6.291 234 HB3 PRO 34 1HB PRO 34 -13.700 -2.867 6.114 235 HG2 PRO 34 2HG PRO 34 -10.931 -2.442 7.167 236 HG3 PRO 34 1HG PRO 34 -11.869 -1.421 6.063 237 HD2 PRO 34 2HD PRO 34 -11.633 -0.810 8.656 238 HD3 PRO 34 1HD PRO 34 -13.153 -0.531 7.785 239 H ALA 35 H ALA 35 -14.190 -5.903 8.299 240 HA ALA 35 HA ALA 35 -11.611 -6.998 9.153 241 HB1 ALA 35 1HB ALA 35 -12.814 -8.503 10.697 242 HB2 ALA 35 2HB ALA 35 -14.316 -7.649 10.339 243 HB3 ALA 35 3HB ALA 35 -12.992 -6.808 11.143 244 H SER 36 H SER 36 -11.261 -9.151 8.441 245 HA SER 36 HA SER 36 -13.223 -10.150 6.514 246 HB2 SER 36 2HB SER 36 -10.219 -10.115 6.153 247 HB3 SER 36 1HB SER 36 -11.388 -10.794 5.024 248 HG SER 36 HG SER 36 -10.513 -8.321 5.163 249 H THR 37 H THR 37 -13.543 -12.327 6.527 250 HA THR 37 HA THR 37 -12.569 -13.830 8.761 251 HB THR 37 HB THR 37 -14.209 -14.763 6.390 252 HG1 THR 37 1HG THR 37 -14.786 -12.998 8.411 253 HG21 THR 37 3HG2 THR 37 -14.106 -15.687 9.277 254 HG22 THR 37 1HG2 THR 37 -13.370 -16.531 7.913 255 HG23 THR 37 2HG2 THR 37 -15.123 -16.373 8.012 256 H GLY 38 H GLY 38 -10.617 -14.813 8.642 257 HA2 GLY 38 2HA GLY 38 -9.243 -16.507 7.529 258 HA3 GLY 38 1HA GLY 38 -9.698 -15.757 6.006 259 H ALA 39 H ALA 39 -9.269 -13.461 8.326 260 HA ALA 39 HA ALA 39 -7.205 -12.147 7.022 261 HB1 ALA 39 1HB ALA 39 -8.803 -10.992 8.431 262 HB2 ALA 39 2HB ALA 39 -7.157 -10.680 9.009 263 HB3 ALA 39 3HB ALA 39 -8.182 -11.833 9.846 264 H GLU 40 H GLU 40 -7.175 -14.278 9.821 265 HA GLU 40 HA GLU 40 -4.328 -13.870 10.187 266 HB2 GLU 40 2HB GLU 40 -4.599 -15.304 12.206 267 HB3 GLU 40 1HB GLU 40 -5.585 -13.858 12.227 268 HG2 GLU 40 2HG GLU 40 -6.645 -16.563 11.437 269 HG3 GLU 40 1HG GLU 40 -6.642 -15.984 13.093 270 H ASN 41 H ASN 41 -6.077 -15.684 8.215 271 HA ASN 41 HA ASN 41 -4.367 -18.077 8.356 272 HB2 ASN 41 2HB ASN 41 -6.894 -18.223 7.883 273 HB3 ASN 41 1HB ASN 41 -6.554 -17.466 6.340 274 HD21 ASN 41 1HD2 ASN 41 -3.975 -19.140 6.116 275 HD22 ASN 41 2HD2 ASN 41 -4.546 -20.703 5.688 276 H LEU 42 H LEU 42 -5.028 -15.177 6.562 277 HA LEU 42 HA LEU 42 -4.224 -14.193 4.771 278 HB2 LEU 42 2HB LEU 42 -1.766 -15.734 5.543 279 HB3 LEU 42 1HB LEU 42 -1.744 -14.647 4.161 280 HG LEU 42 HG LEU 42 -0.714 -13.516 5.963 281 HD11 LEU 42 1HD1 LEU 42 -3.524 -12.482 5.784 282 HD12 LEU 42 2HD1 LEU 42 -2.186 -12.103 4.701 283 HD13 LEU 42 3HD1 LEU 42 -2.126 -11.594 6.389 284 HD21 LEU 42 3HD2 LEU 42 -3.075 -14.291 7.676 285 HD22 LEU 42 1HD2 LEU 42 -1.785 -13.198 8.172 286 HD23 LEU 42 2HD2 LEU 42 -1.422 -14.886 7.822 287 HA PRO 43 HA PRO 43 -6.129 -17.671 2.595 288 HB2 PRO 43 2HB PRO 43 -6.628 -16.067 0.321 289 HB3 PRO 43 1HB PRO 43 -7.746 -16.414 1.644 290 HG2 PRO 43 2HG PRO 43 -5.927 -14.080 1.255 291 HG3 PRO 43 1HG PRO 43 -7.570 -14.111 1.913 292 HD2 PRO 43 2HD PRO 43 -5.556 -13.825 3.521 293 HD3 PRO 43 1HD PRO 43 -6.840 -14.965 3.976 294 H ALA 44 H ALA 44 -4.293 -15.527 0.442 295 HA ALA 44 HA ALA 44 -3.474 -17.883 -1.024 296 HB1 ALA 44 1HB ALA 44 -2.606 -16.374 -2.691 297 HB2 ALA 44 2HB ALA 44 -2.899 -14.995 -1.629 298 HB3 ALA 44 3HB ALA 44 -4.257 -15.930 -2.261 299 H GLY 45 H GLY 45 -2.220 -16.067 1.485 300 HA2 GLY 45 2HA GLY 45 -0.227 -16.534 2.621 301 HA3 GLY 45 1HA GLY 45 0.377 -17.348 1.186 302 H SER 46 H SER 46 -0.804 -14.606 -0.019 303 HA SER 46 HA SER 46 1.532 -13.002 0.599 304 HB2 SER 46 2HB SER 46 0.424 -13.525 -2.179 305 HB3 SER 46 1HB SER 46 1.786 -12.474 -1.769 306 HG SER 46 HG SER 46 2.481 -14.606 -0.685 307 H ALA 47 H ALA 47 1.140 -10.698 -0.091 308 HA ALA 47 HA ALA 47 -1.636 -9.961 -0.350 309 HB1 ALA 47 1HB ALA 47 -1.497 -8.403 1.538 310 HB2 ALA 47 2HB ALA 47 0.116 -9.007 1.916 311 HB3 ALA 47 3HB ALA 47 -1.281 -10.072 2.063 312 H LEU 48 H LEU 48 -1.868 -7.812 -1.086 313 HA LEU 48 HA LEU 48 0.558 -6.490 -1.914 314 HB2 LEU 48 2HB LEU 48 -0.439 -6.173 -4.234 315 HB3 LEU 48 1HB LEU 48 0.203 -7.748 -3.861 316 HG LEU 48 HG LEU 48 -2.200 -8.490 -3.458 317 HD11 LEU 48 1HD1 LEU 48 -2.838 -5.934 -4.903 318 HD12 LEU 48 2HD1 LEU 48 -3.244 -6.319 -3.231 319 HD13 LEU 48 3HD1 LEU 48 -3.964 -7.246 -4.547 320 HD21 LEU 48 3HD2 LEU 48 -2.619 -8.793 -5.858 321 HD22 LEU 48 1HD2 LEU 48 -0.950 -9.143 -5.411 322 HD23 LEU 48 2HD2 LEU 48 -1.345 -7.624 -6.209 323 H LEU 49 H LEU 49 0.283 -4.254 -2.291 324 HA LEU 49 HA LEU 49 -2.272 -3.293 -1.240 325 HB2 LEU 49 2HB LEU 49 -1.261 -1.250 -0.488 326 HB3 LEU 49 1HB LEU 49 -0.288 -2.563 0.109 327 HG LEU 49 HG LEU 49 0.496 -0.899 -2.302 328 HD11 LEU 49 1HD1 LEU 49 0.275 0.520 -0.322 329 HD12 LEU 49 2HD1 LEU 49 1.966 0.320 -0.783 330 HD13 LEU 49 3HD1 LEU 49 1.311 -0.581 0.584 331 HD21 LEU 49 3HD2 LEU 49 1.642 -3.069 -2.122 332 HD22 LEU 49 1HD2 LEU 49 2.104 -2.674 -0.463 333 HD23 LEU 49 2HD2 LEU 49 2.740 -1.726 -1.799 334 H VAL 50 H VAL 50 -3.500 -1.985 -2.382 335 HA VAL 50 HA VAL 50 -2.592 -1.412 -5.126 336 HB VAL 50 HB VAL 50 -5.442 -1.753 -4.148 337 HG11 VAL 50 1HG1 VAL 50 -4.337 -1.547 -6.943 338 HG12 VAL 50 2HG1 VAL 50 -5.279 -0.323 -6.095 339 HG13 VAL 50 3HG1 VAL 50 -6.023 -1.862 -6.528 340 HG21 VAL 50 3HG2 VAL 50 -5.457 -3.907 -5.334 341 HG22 VAL 50 1HG2 VAL 50 -4.291 -3.895 -4.011 342 HG23 VAL 50 2HG2 VAL 50 -3.737 -3.719 -5.672 343 H VAL 51 H VAL 51 -2.489 0.683 -5.615 344 HA VAL 51 HA VAL 51 -3.403 2.689 -3.716 345 HB VAL 51 HB VAL 51 -2.419 3.121 -6.549 346 HG11 VAL 51 1HG1 VAL 51 -3.520 5.038 -5.514 347 HG12 VAL 51 2HG1 VAL 51 -1.798 5.344 -5.733 348 HG13 VAL 51 3HG1 VAL 51 -2.422 4.935 -4.136 349 HG21 VAL 51 3HG2 VAL 51 -0.171 3.478 -5.624 350 HG22 VAL 51 1HG2 VAL 51 -0.729 1.826 -5.366 351 HG23 VAL 51 2HG2 VAL 51 -0.749 2.980 -4.034 352 H LYS 52 H LYS 52 -5.387 3.347 -3.627 353 HA LYS 52 HA LYS 52 -7.163 2.514 -5.758 354 HB2 LYS 52 2HB LYS 52 -7.684 2.074 -3.348 355 HB3 LYS 52 1HB LYS 52 -7.843 3.807 -3.111 356 HG2 LYS 52 2HG LYS 52 -10.023 2.755 -3.342 357 HG3 LYS 52 1HG LYS 52 -9.704 3.848 -4.691 358 HD2 LYS 52 2HD LYS 52 -9.110 1.990 -6.122 359 HD3 LYS 52 1HD LYS 52 -9.282 0.861 -4.775 360 HE2 LYS 52 2HE LYS 52 -11.490 2.546 -5.947 361 HE3 LYS 52 1HE LYS 52 -11.207 0.846 -6.320 362 HZ1 LYS 52 3HZ LYS 52 -11.581 0.346 -3.956 363 HZ2 LYS 52 1HZ LYS 52 -12.922 1.058 -4.668 364 HZ3 LYS 52 2HZ LYS 52 -11.944 1.957 -3.649 365 H ARG 53 H ARG 53 -5.858 5.349 -4.282 366 HA ARG 53 HA ARG 53 -6.831 6.977 -6.490 367 HB2 ARG 53 2HB ARG 53 -8.508 7.224 -4.672 368 HB3 ARG 53 1HB ARG 53 -7.231 7.741 -3.589 369 HG2 ARG 53 2HG ARG 53 -8.461 9.671 -4.328 370 HG3 ARG 53 1HG ARG 53 -6.851 9.718 -5.038 371 HD2 ARG 53 2HD ARG 53 -9.176 8.569 -6.561 372 HD3 ARG 53 1HD ARG 53 -8.912 10.302 -6.507 373 HE ARG 53 HE ARG 53 -6.776 9.937 -7.554 374 HH11 ARG 53 1HH1 ARG 53 -8.979 7.132 -7.751 375 HH12 ARG 53 2HH1 ARG 53 -8.382 6.638 -9.271 376 HH21 ARG 53 1HH2 ARG 53 -5.997 9.196 -9.680 377 HH22 ARG 53 2HH2 ARG 53 -6.709 7.826 -10.367 378 H GLY 54 H GLY 54 -5.349 8.445 -7.056 379 HA2 GLY 54 2HA GLY 54 -3.557 9.918 -5.905 380 HA3 GLY 54 1HA GLY 54 -2.812 8.337 -5.652 381 HA PRO 55 HA PRO 55 -1.623 9.975 -9.885 382 HB2 PRO 55 2HB PRO 55 1.082 9.180 -9.058 383 HB3 PRO 55 1HB PRO 55 0.527 10.734 -9.680 384 HG2 PRO 55 2HG PRO 55 1.254 10.350 -7.093 385 HG3 PRO 55 1HG PRO 55 0.026 11.540 -7.579 386 HD2 PRO 55 2HD PRO 55 -0.277 8.842 -6.350 387 HD3 PRO 55 1HD PRO 55 -1.221 10.318 -6.082 388 H ASN 56 H ASN 56 -0.260 7.280 -8.058 389 HA ASN 56 HA ASN 56 -0.161 5.621 -10.442 390 HB2 ASN 56 2HB ASN 56 0.969 3.978 -8.810 391 HB3 ASN 56 1HB ASN 56 1.863 5.417 -9.276 392 HD21 ASN 56 1HD2 ASN 56 3.127 5.168 -7.412 393 HD22 ASN 56 2HD2 ASN 56 2.543 5.649 -5.867 394 H ALA 57 H ALA 57 -2.671 6.382 -9.043 395 HA ALA 57 HA ALA 57 -3.806 4.240 -7.660 396 HB1 ALA 57 1HB ALA 57 -5.187 6.126 -9.549 397 HB2 ALA 57 2HB ALA 57 -4.867 6.429 -7.842 398 HB3 ALA 57 3HB ALA 57 -5.966 5.132 -8.319 399 H GLY 58 H GLY 58 -4.523 2.327 -8.217 400 HA2 GLY 58 2HA GLY 58 -5.595 0.835 -9.742 401 HA3 GLY 58 1HA GLY 58 -4.806 1.682 -11.069 402 H ALA 59 H ALA 59 -2.315 1.771 -9.325 403 HA ALA 59 HA ALA 59 -1.244 -0.719 -10.308 404 HB1 ALA 59 1HB ALA 59 0.058 1.358 -10.493 405 HB2 ALA 59 2HB ALA 59 0.907 0.136 -9.541 406 HB3 ALA 59 3HB ALA 59 0.101 1.479 -8.734 407 H ARG 60 H ARG 60 -0.329 -2.336 -9.059 408 HA ARG 60 HA ARG 60 -0.948 -2.244 -6.214 409 HB2 ARG 60 2HB ARG 60 -1.690 -4.572 -6.278 410 HB3 ARG 60 1HB ARG 60 -2.660 -3.593 -7.371 411 HG2 ARG 60 2HG ARG 60 -1.302 -4.425 -9.253 412 HG3 ARG 60 1HG ARG 60 -0.455 -5.491 -8.127 413 HD2 ARG 60 2HD ARG 60 -2.627 -6.515 -7.537 414 HD3 ARG 60 1HD ARG 60 -3.409 -5.505 -8.748 415 HE ARG 60 HE ARG 60 -1.344 -7.506 -9.337 416 HH11 ARG 60 1HH1 ARG 60 -4.212 -5.697 -10.368 417 HH12 ARG 60 2HH1 ARG 60 -4.563 -6.722 -11.676 418 HH21 ARG 60 1HH2 ARG 60 -1.806 -8.876 -11.187 419 HH22 ARG 60 2HH2 ARG 60 -3.171 -8.539 -12.162 420 H PHE 61 H PHE 61 0.595 -3.105 -4.938 421 HA PHE 61 HA PHE 61 3.003 -4.102 -6.312 422 HB2 PHE 61 2HB PHE 61 2.901 -2.392 -3.816 423 HB3 PHE 61 1HB PHE 61 4.357 -2.958 -4.619 424 HD1 PHE 61 1HD PHE 61 4.999 -2.010 -6.810 425 HD2 PHE 61 2HD PHE 61 1.701 -0.481 -4.599 426 HE1 PHE 61 1HE PHE 61 5.036 0.034 -8.168 427 HE2 PHE 61 2HE PHE 61 1.733 1.566 -5.957 428 HZ PHE 61 HZ PHE 61 3.397 1.827 -7.744 429 H LEU 62 H LEU 62 3.807 -5.972 -5.537 430 HA LEU 62 HA LEU 62 2.242 -7.327 -3.483 431 HB2 LEU 62 2HB LEU 62 2.716 -8.453 -5.627 432 HB3 LEU 62 1HB LEU 62 4.429 -8.314 -5.321 433 HG LEU 62 HG LEU 62 4.145 -9.796 -3.338 434 HD11 LEU 62 1HD1 LEU 62 1.835 -9.441 -2.838 435 HD12 LEU 62 2HD1 LEU 62 2.084 -11.149 -3.222 436 HD13 LEU 62 3HD1 LEU 62 1.352 -10.070 -4.408 437 HD21 LEU 62 3HD2 LEU 62 3.280 -10.913 -6.004 438 HD22 LEU 62 1HD2 LEU 62 3.883 -11.862 -4.646 439 HD23 LEU 62 2HD2 LEU 62 4.936 -10.694 -5.446 440 H LEU 63 H LEU 63 2.943 -7.596 -1.456 441 HA LEU 63 HA LEU 63 5.528 -6.517 -0.761 442 HB2 LEU 63 2HB LEU 63 3.370 -7.743 0.978 443 HB3 LEU 63 1HB LEU 63 4.858 -7.065 1.588 444 HG LEU 63 HG LEU 63 4.085 -4.825 0.668 445 HD11 LEU 63 1HD1 LEU 63 2.443 -5.560 -0.929 446 HD12 LEU 63 2HD1 LEU 63 1.668 -4.554 0.305 447 HD13 LEU 63 3HD1 LEU 63 1.489 -6.304 0.352 448 HD21 LEU 63 3HD2 LEU 63 2.573 -4.400 2.528 449 HD22 LEU 63 1HD2 LEU 63 3.939 -5.393 3.032 450 HD23 LEU 63 2HD2 LEU 63 2.370 -6.140 2.757 451 H ASP 64 H ASP 64 7.131 -7.818 -1.317 452 HA ASP 64 HA ASP 64 7.141 -10.563 -0.215 453 HB2 ASP 64 2HB ASP 64 6.966 -10.568 -2.712 454 HB3 ASP 64 1HB ASP 64 8.420 -9.588 -2.804 455 H GLN 65 H GLN 65 8.111 -7.690 0.301 456 HA GLN 65 HA GLN 65 10.955 -8.213 0.772 457 HB2 GLN 65 2HB GLN 65 11.119 -5.691 0.835 458 HB3 GLN 65 1HB GLN 65 10.674 -6.351 -0.729 459 HG2 GLN 65 2HG GLN 65 8.272 -5.899 -0.098 460 HG3 GLN 65 1HG GLN 65 8.889 -5.021 1.287 461 HE21 GLN 65 1HE2 GLN 65 11.148 -3.874 -0.184 462 HE22 GLN 65 2HE2 GLN 65 10.465 -2.688 -1.232 463 HA PRO 66 HA PRO 66 10.062 -8.154 5.092 464 HB2 PRO 66 2HB PRO 66 12.404 -7.232 6.121 465 HB3 PRO 66 1HB PRO 66 12.233 -8.850 5.433 466 HG2 PRO 66 2HG PRO 66 13.342 -6.371 4.170 467 HG3 PRO 66 1HG PRO 66 13.982 -8.025 4.134 468 HD2 PRO 66 2HD PRO 66 12.588 -6.973 2.077 469 HD3 PRO 66 1HD PRO 66 12.491 -8.694 2.505 470 H THR 67 H THR 67 10.844 -5.243 3.460 471 HA THR 67 HA THR 67 9.367 -3.670 5.354 472 HB THR 67 HB THR 67 12.284 -3.033 4.741 473 HG1 THR 67 1HG THR 67 11.044 -4.371 6.704 474 HG21 THR 67 3HG2 THR 67 10.899 -0.991 4.843 475 HG22 THR 67 1HG2 THR 67 11.976 -1.096 6.237 476 HG23 THR 67 2HG2 THR 67 10.268 -1.501 6.408 477 H THR 68 H THR 68 8.171 -2.310 4.158 478 HA THR 68 HA THR 68 9.145 -1.491 1.502 479 HB THR 68 HB THR 68 6.245 -1.569 2.391 480 HG1 THR 68 1HG THR 68 7.264 -3.395 0.544 481 HG21 THR 68 3HG2 THR 68 6.758 -0.064 0.558 482 HG22 THR 68 1HG2 THR 68 5.799 -1.434 -0.003 483 HG23 THR 68 2HG2 THR 68 7.533 -1.381 -0.324 484 H THR 69 H THR 69 9.680 0.617 1.513 485 HA THR 69 HA THR 69 8.545 2.371 3.543 486 HB THR 69 HB THR 69 10.726 2.922 1.515 487 HG1 THR 69 1HG THR 69 11.300 1.280 3.021 488 HG21 THR 69 3HG2 THR 69 9.653 4.959 2.394 489 HG22 THR 69 1HG2 THR 69 11.302 4.797 3.004 490 HG23 THR 69 2HG2 THR 69 9.933 4.394 4.039 491 H ALA 70 H ALA 70 7.011 3.839 3.072 492 HA ALA 70 HA ALA 70 6.435 4.390 0.248 493 HB1 ALA 70 1HB ALA 70 4.696 3.002 1.250 494 HB2 ALA 70 2HB ALA 70 4.077 4.616 0.885 495 HB3 ALA 70 3HB ALA 70 4.487 4.184 2.542 496 H GLY 71 H GLY 71 6.183 6.471 -0.323 497 HA2 GLY 71 2HA GLY 71 5.335 8.653 0.982 498 HA3 GLY 71 1HA GLY 71 7.017 8.519 1.505 499 H ARG 72 H ARG 72 7.360 10.535 0.312 500 HA ARG 72 HA ARG 72 7.678 9.934 -2.545 501 HB2 ARG 72 2HB ARG 72 5.951 11.683 -2.257 502 HB3 ARG 72 1HB ARG 72 7.102 12.669 -1.361 503 HG2 ARG 72 2HG ARG 72 8.489 12.925 -3.298 504 HG3 ARG 72 1HG ARG 72 7.516 11.774 -4.202 505 HD2 ARG 72 2HD ARG 72 6.950 13.969 -4.946 506 HD3 ARG 72 1HD ARG 72 5.601 13.354 -4.008 507 HE ARG 72 HE ARG 72 6.616 14.751 -2.142 508 HH11 ARG 72 1HH1 ARG 72 6.736 15.659 -5.608 509 HH12 ARG 72 2HH1 ARG 72 6.741 17.323 -5.282 510 HH21 ARG 72 1HH2 ARG 72 6.648 17.097 -1.775 511 HH22 ARG 72 2HH2 ARG 72 6.716 18.142 -3.100 512 H HIS 73 H HIS 73 9.671 9.621 -2.934 513 HA HIS 73 HA HIS 73 11.713 11.237 -3.235 514 HB2 HIS 73 2HB HIS 73 11.445 11.081 -0.418 515 HB3 HIS 73 1HB HIS 73 12.741 9.938 -0.797 516 HD1 HIS 73 1HD HIS 73 15.031 11.070 -0.729 517 HD2 HIS 73 2HD HIS 73 11.970 13.659 -1.853 518 HE1 HIS 73 1HE HIS 73 16.098 13.291 -1.140 519 HA PRO 74 HA PRO 74 13.019 7.254 -4.789 520 HB2 PRO 74 2HB PRO 74 15.839 7.955 -4.172 521 HB3 PRO 74 1HB PRO 74 15.106 7.498 -5.712 522 HG2 PRO 74 2HG PRO 74 15.773 10.024 -5.290 523 HG3 PRO 74 1HG PRO 74 14.245 9.627 -6.092 524 HD2 PRO 74 2HD PRO 74 14.715 10.420 -3.235 525 HD3 PRO 74 1HD PRO 74 13.468 10.980 -4.369 526 H GLU 75 H GLU 75 13.764 8.173 -1.619 527 HA GLU 75 HA GLU 75 14.949 5.719 -0.750 528 HB2 GLU 75 2HB GLU 75 13.751 8.025 0.767 529 HB3 GLU 75 1HB GLU 75 14.269 6.562 1.583 530 HG2 GLU 75 2HG GLU 75 16.005 8.205 1.768 531 HG3 GLU 75 1HG GLU 75 16.553 6.931 0.689 532 H SER 76 H SER 76 11.780 6.699 -1.458 533 HA SER 76 HA SER 76 10.639 4.555 0.128 534 HB2 SER 76 2HB SER 76 9.331 6.723 -1.517 535 HB3 SER 76 1HB SER 76 8.505 5.585 -0.446 536 HG SER 76 HG SER 76 10.565 6.907 0.767 537 H ASP 77 H ASP 77 10.300 2.655 -0.809 538 HA ASP 77 HA ASP 77 10.788 2.073 -3.533 539 HB2 ASP 77 2HB ASP 77 10.890 0.389 -1.679 540 HB3 ASP 77 1HB ASP 77 9.138 0.471 -1.556 541 H ILE 78 H ILE 78 7.874 2.579 -1.642 542 HA ILE 78 HA ILE 78 6.311 2.627 -4.101 543 HB ILE 78 HB ILE 78 5.286 2.999 -1.261 544 HG12 ILE 78 2HG1 ILE 78 6.292 0.788 -1.398 545 HG13 ILE 78 1HG1 ILE 78 4.540 0.644 -1.355 546 HG21 ILE 78 1HG2 ILE 78 3.106 2.426 -2.240 547 HG22 ILE 78 2HG2 ILE 78 3.858 2.278 -3.826 548 HG23 ILE 78 3HG2 ILE 78 3.808 3.843 -3.021 549 HD11 ILE 78 3HD1 ILE 78 6.285 0.389 -3.796 550 HD12 ILE 78 1HD1 ILE 78 4.525 0.258 -3.774 551 HD13 ILE 78 2HD1 ILE 78 5.509 -0.924 -2.914 552 H PHE 79 H PHE 79 6.566 4.473 -5.071 553 HA PHE 79 HA PHE 79 7.108 6.893 -3.596 554 HB2 PHE 79 2HB PHE 79 8.400 6.291 -5.632 555 HB3 PHE 79 1HB PHE 79 6.920 6.371 -6.571 556 HD1 PHE 79 1HD PHE 79 9.512 8.281 -4.859 557 HD2 PHE 79 2HD PHE 79 5.933 8.524 -7.146 558 HE1 PHE 79 1HE PHE 79 9.954 10.658 -5.298 559 HE2 PHE 79 2HE PHE 79 6.368 10.902 -7.583 560 HZ PHE 79 HZ PHE 79 8.383 11.968 -6.663 561 H LEU 80 H LEU 80 5.430 7.966 -2.865 562 HA LEU 80 HA LEU 80 2.969 8.070 -4.492 563 HB2 LEU 80 2HB LEU 80 3.344 8.560 -1.525 564 HB3 LEU 80 1HB LEU 80 1.860 8.852 -2.386 565 HG LEU 80 HG LEU 80 1.465 6.895 -1.300 566 HD11 LEU 80 1HD1 LEU 80 0.800 6.651 -3.573 567 HD12 LEU 80 2HD1 LEU 80 1.345 5.099 -2.942 568 HD13 LEU 80 3HD1 LEU 80 2.390 6.031 -4.007 569 HD21 LEU 80 3HD2 LEU 80 3.679 6.452 -0.456 570 HD22 LEU 80 1HD2 LEU 80 4.205 5.906 -2.048 571 HD23 LEU 80 2HD2 LEU 80 2.991 4.987 -1.159 572 H ASP 81 H ASP 81 2.893 9.849 -5.631 573 HA ASP 81 HA ASP 81 4.462 12.108 -4.865 574 HB2 ASP 81 2HB ASP 81 4.315 11.602 -7.233 575 HB3 ASP 81 1HB ASP 81 2.567 11.760 -7.196 576 H ASP 82 H ASP 82 3.844 13.655 -3.574 577 HA ASP 82 HA ASP 82 1.020 14.326 -3.340 578 HB2 ASP 82 2HB ASP 82 1.595 12.827 -1.431 579 HB3 ASP 82 1HB ASP 82 2.933 13.881 -1.006 580 H VAL 83 H VAL 83 1.022 16.432 -1.849 581 HA VAL 83 HA VAL 83 2.412 18.486 -3.242 582 HB VAL 83 HB VAL 83 0.931 18.606 -0.601 583 HG11 VAL 83 1HG1 VAL 83 0.530 20.949 -1.118 584 HG12 VAL 83 2HG1 VAL 83 1.468 20.794 -2.599 585 HG13 VAL 83 3HG1 VAL 83 2.259 20.601 -1.034 586 HG21 VAL 83 3HG2 VAL 83 -0.161 18.950 -3.384 587 HG22 VAL 83 1HG2 VAL 83 -1.058 19.253 -1.896 588 HG23 VAL 83 2HG2 VAL 83 -0.509 17.621 -2.280 589 H THR 84 H THR 84 2.913 16.610 -0.361 590 HA THR 84 HA THR 84 5.011 18.396 0.622 591 HB THR 84 HB THR 84 3.985 16.006 2.085 592 HG1 THR 84 1HG THR 84 2.055 16.877 1.437 593 HG21 THR 84 3HG2 THR 84 4.239 17.513 3.984 594 HG22 THR 84 1HG2 THR 84 4.609 18.849 2.891 595 HG23 THR 84 2HG2 THR 84 5.721 17.489 3.024 596 H VAL 85 H VAL 85 7.135 17.455 1.155 597 HA VAL 85 HA VAL 85 7.756 15.029 -0.349 598 HB VAL 85 HB VAL 85 9.670 16.817 1.202 599 HG11 VAL 85 1HG1 VAL 85 11.427 15.711 -0.110 600 HG12 VAL 85 2HG1 VAL 85 10.205 14.669 -0.842 601 HG13 VAL 85 3HG1 VAL 85 10.521 14.572 0.889 602 HG21 VAL 85 3HG2 VAL 85 10.375 17.706 -0.985 603 HG22 VAL 85 1HG2 VAL 85 8.694 18.085 -0.611 604 HG23 VAL 85 2HG2 VAL 85 9.070 16.797 -1.753 605 H SER 86 H SER 86 6.976 13.370 0.846 606 HA SER 86 HA SER 86 7.659 13.246 3.664 607 HB2 SER 86 2HB SER 86 5.942 11.328 2.107 608 HB3 SER 86 1HB SER 86 5.908 11.707 3.838 609 HG SER 86 HG SER 86 4.634 13.344 3.444 610 H ARG 87 H ARG 87 9.803 12.755 3.460 611 HA ARG 87 HA ARG 87 10.875 10.852 1.663 612 HB2 ARG 87 2HB ARG 87 12.962 11.158 2.907 613 HB3 ARG 87 1HB ARG 87 12.200 12.675 2.466 614 HG2 ARG 87 2HG ARG 87 11.223 12.642 4.852 615 HG3 ARG 87 1HG ARG 87 12.461 11.425 5.182 616 HD2 ARG 87 2HD ARG 87 13.358 13.557 5.772 617 HD3 ARG 87 1HD ARG 87 14.154 13.047 4.284 618 HE ARG 87 HE ARG 87 12.138 15.162 4.570 619 HH11 ARG 87 1HH1 ARG 87 14.399 13.423 2.383 620 HH12 ARG 87 2HH1 ARG 87 14.401 14.669 1.228 621 HH21 ARG 87 1HH2 ARG 87 12.147 16.857 2.858 622 HH22 ARG 87 2HH2 ARG 87 13.147 16.599 1.525 623 H ARG 88 H ARG 88 9.697 10.596 4.877 624 HA ARG 88 HA ARG 88 9.822 7.683 4.643 625 HB2 ARG 88 2HB ARG 88 11.800 8.675 6.046 626 HB3 ARG 88 1HB ARG 88 10.569 9.074 7.228 627 HG2 ARG 88 2HG ARG 88 11.564 7.034 7.921 628 HG3 ARG 88 1HG ARG 88 9.977 6.614 7.262 629 HD2 ARG 88 2HD ARG 88 11.028 6.012 5.132 630 HD3 ARG 88 1HD ARG 88 12.600 6.445 5.784 631 HE ARG 88 HE ARG 88 11.209 4.420 7.290 632 HH11 ARG 88 1HH1 ARG 88 13.582 5.059 4.711 633 HH12 ARG 88 2HH1 ARG 88 14.122 3.447 4.678 634 HH21 ARG 88 1HH2 ARG 88 12.047 2.198 7.214 635 HH22 ARG 88 2HH2 ARG 88 13.264 1.850 6.055 636 H HIS 89 H HIS 89 7.501 7.794 4.338 637 HA HIS 89 HA HIS 89 6.100 9.194 6.489 638 HB2 HIS 89 2HB HIS 89 5.537 9.751 4.094 639 HB3 HIS 89 1HB HIS 89 4.874 8.130 3.941 640 HD2 HIS 89 2HD HIS 89 2.416 7.694 5.291 641 HE1 HIS 89 1HE HIS 89 1.898 11.669 6.406 642 HE2 HIS 89 2HE HIS 89 1.128 9.275 6.642 643 H ALA 90 H ALA 90 5.909 6.079 4.788 644 HA ALA 90 HA ALA 90 4.881 4.983 7.301 645 HB1 ALA 90 1HB ALA 90 3.735 4.433 4.557 646 HB2 ALA 90 2HB ALA 90 2.954 5.352 5.842 647 HB3 ALA 90 3HB ALA 90 3.260 3.628 6.051 648 H GLU 91 H GLU 91 5.594 2.967 7.723 649 HA GLU 91 HA GLU 91 7.398 1.771 5.757 650 HB2 GLU 91 2HB GLU 91 8.582 2.821 7.660 651 HB3 GLU 91 1HB GLU 91 7.634 1.858 8.773 652 HG2 GLU 91 2HG GLU 91 8.653 -0.169 7.901 653 HG3 GLU 91 1HG GLU 91 9.585 0.793 6.750 654 H PHE 92 H PHE 92 6.858 -0.225 5.272 655 HA PHE 92 HA PHE 92 4.788 -1.607 6.843 656 HB2 PHE 92 2HB PHE 92 5.803 -2.186 4.054 657 HB3 PHE 92 1HB PHE 92 4.506 -3.025 4.857 658 HD1 PHE 92 2HD PHE 92 5.367 0.477 3.818 659 HD2 PHE 92 1HD PHE 92 2.351 -2.474 4.320 660 HE1 PHE 92 2HE PHE 92 3.716 2.009 2.846 661 HE2 PHE 92 1HE PHE 92 0.693 -0.948 3.341 662 HZ PHE 92 HZ PHE 92 1.372 1.299 2.605 663 H ARG 93 H ARG 93 5.592 -3.095 8.127 664 HA ARG 93 HA ARG 93 8.191 -4.230 7.433 665 HB2 ARG 93 2HB ARG 93 6.870 -4.045 10.148 666 HB3 ARG 93 1HB ARG 93 8.496 -4.629 9.816 667 HG2 ARG 93 2HG ARG 93 9.115 -2.399 8.991 668 HG3 ARG 93 1HG ARG 93 7.498 -1.823 9.380 669 HD2 ARG 93 2HD ARG 93 9.041 -1.197 11.127 670 HD3 ARG 93 1HD ARG 93 7.892 -2.385 11.735 671 HE ARG 93 HE ARG 93 9.564 -4.003 11.743 672 HH11 ARG 93 1HH1 ARG 93 10.856 -0.839 10.683 673 HH12 ARG 93 2HH1 ARG 93 12.446 -1.189 11.186 674 HH21 ARG 93 1HH2 ARG 93 11.769 -4.438 12.402 675 HH22 ARG 93 2HH2 ARG 93 12.989 -3.269 12.153 676 H ILE 94 H ILE 94 8.119 -6.215 6.780 677 HA ILE 94 HA ILE 94 5.809 -7.866 7.492 678 HB ILE 94 HB ILE 94 7.649 -8.161 5.075 679 HG12 ILE 94 2HG1 ILE 94 5.499 -7.629 3.744 680 HG13 ILE 94 1HG1 ILE 94 4.853 -7.015 5.256 681 HG21 ILE 94 1HG2 ILE 94 6.777 -10.283 5.822 682 HG22 ILE 94 2HG2 ILE 94 6.047 -9.836 4.283 683 HG23 ILE 94 3HG2 ILE 94 5.131 -9.653 5.780 684 HD11 ILE 94 3HD1 ILE 94 5.694 -5.200 3.845 685 HD12 ILE 94 1HD1 ILE 94 7.283 -5.961 3.818 686 HD13 ILE 94 2HD1 ILE 94 6.631 -5.336 5.327 687 H ASN 95 H ASN 95 6.404 -9.286 8.997 688 HA ASN 95 HA ASN 95 9.035 -10.539 8.785 689 HB2 ASN 95 2HB ASN 95 9.177 -8.620 10.385 690 HB3 ASN 95 1HB ASN 95 7.958 -9.416 11.371 691 HD21 ASN 95 1HD2 ASN 95 11.199 -9.559 10.180 692 HD22 ASN 95 2HD2 ASN 95 11.801 -10.702 11.314 693 H GLU 96 H GLU 96 8.835 -12.635 8.887 694 HA GLU 96 HA GLU 96 8.006 -14.723 9.112 695 HB2 GLU 96 2HB GLU 96 7.011 -13.600 11.730 696 HB3 GLU 96 1HB GLU 96 6.999 -15.304 11.313 697 HG2 GLU 96 2HG GLU 96 9.472 -15.186 11.073 698 HG3 GLU 96 1HG GLU 96 9.391 -13.529 11.671 699 H GLY 97 H GLY 97 6.375 -12.985 7.632 700 HA2 GLY 97 2HA GLY 97 4.377 -13.324 6.495 701 HA3 GLY 97 1HA GLY 97 3.929 -14.515 7.703 702 H GLU 98 H GLU 98 4.833 -11.771 9.397 703 HA GLU 98 HA GLU 98 2.052 -10.935 9.683 704 HB2 GLU 98 2HB GLU 98 4.530 -10.226 11.243 705 HB3 GLU 98 1HB GLU 98 2.871 -9.858 11.688 706 HG2 GLU 98 2HG GLU 98 3.962 -12.627 11.393 707 HG3 GLU 98 1HG GLU 98 3.935 -11.755 12.914 708 H PHE 99 H PHE 99 1.422 -9.006 8.951 709 HA PHE 99 HA PHE 99 3.445 -7.273 7.723 710 HB2 PHE 99 2HB PHE 99 0.447 -7.392 7.242 711 HB3 PHE 99 1HB PHE 99 1.598 -6.405 6.363 712 HD1 PHE 99 2HD PHE 99 0.365 -9.836 6.909 713 HD2 PHE 99 1HD PHE 99 2.886 -7.336 4.567 714 HE1 PHE 99 2HE PHE 99 0.590 -11.633 5.247 715 HE2 PHE 99 1HE PHE 99 3.114 -9.128 2.895 716 HZ PHE 99 HZ PHE 99 1.968 -11.281 3.233 717 H GLU 100 H GLU 100 3.873 -5.552 9.019 718 HA GLU 100 HA GLU 100 1.638 -4.369 10.505 719 HB2 GLU 100 2HB GLU 100 4.532 -4.534 11.335 720 HB3 GLU 100 1HB GLU 100 3.309 -3.579 12.156 721 HG2 GLU 100 2HG GLU 100 2.059 -5.668 12.573 722 HG3 GLU 100 1HG GLU 100 3.428 -6.566 11.917 723 H VAL 101 H VAL 101 1.247 -2.363 9.972 724 HA VAL 101 HA VAL 101 3.305 -1.005 8.400 725 HB VAL 101 HB VAL 101 0.342 -0.375 8.631 726 HG11 VAL 101 1HG1 VAL 101 1.686 1.619 8.148 727 HG12 VAL 101 2HG1 VAL 101 0.725 1.151 6.744 728 HG13 VAL 101 3HG1 VAL 101 2.450 0.782 6.796 729 HG21 VAL 101 3HG2 VAL 101 0.726 -2.468 7.461 730 HG22 VAL 101 1HG2 VAL 101 1.889 -1.676 6.400 731 HG23 VAL 101 2HG2 VAL 101 0.188 -1.219 6.336 732 H VAL 102 H VAL 102 4.358 0.532 9.349 733 HA VAL 102 HA VAL 102 3.188 1.711 11.726 734 HB VAL 102 HB VAL 102 5.419 1.948 12.689 735 HG11 VAL 102 1HG1 VAL 102 4.797 -0.896 11.916 736 HG12 VAL 102 2HG1 VAL 102 4.160 -0.017 13.304 737 HG13 VAL 102 3HG1 VAL 102 5.877 -0.410 13.220 738 HG21 VAL 102 3HG2 VAL 102 7.367 0.763 11.735 739 HG22 VAL 102 1HG2 VAL 102 6.783 2.059 10.691 740 HG23 VAL 102 2HG2 VAL 102 6.407 0.377 10.306 741 H ASP 103 H ASP 103 3.222 3.786 11.891 742 HA ASP 103 HA ASP 103 4.294 5.399 9.690 743 HB2 ASP 103 2HB ASP 103 2.003 5.926 10.301 744 HB3 ASP 103 1HB ASP 103 2.422 6.006 12.006 745 H VAL 104 H VAL 104 5.997 6.812 10.105 746 HA VAL 104 HA VAL 104 7.467 6.174 12.548 747 HB VAL 104 HB VAL 104 9.428 7.141 11.439 748 HG11 VAL 104 1HG1 VAL 104 8.944 4.788 11.074 749 HG12 VAL 104 2HG1 VAL 104 9.638 5.495 9.614 750 HG13 VAL 104 3HG1 VAL 104 7.904 5.195 9.708 751 HG21 VAL 104 3HG2 VAL 104 9.314 7.875 9.104 752 HG22 VAL 104 1HG2 VAL 104 8.317 8.888 10.145 753 HG23 VAL 104 2HG2 VAL 104 7.565 7.662 9.123 754 H GLY 105 H GLY 105 5.199 8.263 12.284 755 HA2 GLY 105 2HA GLY 105 4.809 10.131 13.608 756 HA3 GLY 105 1HA GLY 105 6.555 10.304 13.857 757 H SER 106 H SER 106 4.579 9.953 11.017 758 HA SER 106 HA SER 106 6.257 11.750 9.608 759 HB2 SER 106 2HB SER 106 3.774 10.329 8.720 760 HB3 SER 106 1HB SER 106 5.046 11.015 7.702 761 HG SER 106 HG SER 106 5.039 8.637 8.460 762 H LEU 107 H LEU 107 4.941 13.177 7.951 763 HA LEU 107 HA LEU 107 3.693 15.081 9.759 764 HB2 LEU 107 2HB LEU 107 5.098 15.575 7.143 765 HB3 LEU 107 1HB LEU 107 4.359 16.815 8.122 766 HG LEU 107 HG LEU 107 6.672 16.984 8.488 767 HD11 LEU 107 1HD1 LEU 107 7.028 16.489 10.837 768 HD12 LEU 107 2HD1 LEU 107 5.558 15.521 10.837 769 HD13 LEU 107 3HD1 LEU 107 5.473 17.254 10.508 770 HD21 LEU 107 3HD2 LEU 107 6.794 14.015 9.018 771 HD22 LEU 107 1HD2 LEU 107 8.143 15.138 9.193 772 HD23 LEU 107 2HD2 LEU 107 7.434 14.847 7.604 773 H ASN 108 H ASN 108 2.974 13.319 6.787 774 HA ASN 108 HA ASN 108 0.863 15.222 6.144 775 HB2 ASN 108 2HB ASN 108 1.259 12.545 4.763 776 HB3 ASN 108 1HB ASN 108 0.353 13.920 4.194 777 HD21 ASN 108 1HD2 ASN 108 1.431 14.047 2.269 778 HD22 ASN 108 2HD2 ASN 108 3.064 14.504 2.144 779 H GLY 109 H GLY 109 1.102 12.171 7.865 780 HA2 GLY 109 2HA GLY 109 -0.615 11.714 9.447 781 HA3 GLY 109 1HA GLY 109 -1.755 12.492 8.365 782 H THR 110 H THR 110 -0.106 9.572 9.134 783 HA THR 110 HA THR 110 -1.353 8.112 6.985 784 HB THR 110 HB THR 110 0.045 7.092 9.477 785 HG1 THR 110 1HG THR 110 1.841 7.745 8.557 786 HG21 THR 110 3HG2 THR 110 -1.263 5.409 8.212 787 HG22 THR 110 1HG2 THR 110 0.470 5.103 8.094 788 HG23 THR 110 2HG2 THR 110 -0.389 5.850 6.748 789 H TYR 111 H TYR 111 -3.387 7.285 7.156 790 HA TYR 111 HA TYR 111 -4.464 6.881 9.862 791 HB2 TYR 111 2HB TYR 111 -6.221 7.641 7.507 792 HB3 TYR 111 1HB TYR 111 -6.601 7.657 9.206 793 HD1 TYR 111 1HD TYR 111 -5.637 9.443 10.696 794 HD2 TYR 111 2HD TYR 111 -5.281 9.602 6.457 795 HE1 TYR 111 1HE TYR 111 -5.107 11.843 10.828 796 HE2 TYR 111 2HE TYR 111 -4.752 11.994 6.580 797 HH TYR 111 HH TYR 111 -3.965 13.552 9.482 798 H VAL 112 H VAL 112 -5.145 4.859 10.163 799 HA VAL 112 HA VAL 112 -5.403 3.131 7.800 800 HB VAL 112 HB VAL 112 -4.611 2.319 10.631 801 HG11 VAL 112 1HG1 VAL 112 -4.174 0.097 9.677 802 HG12 VAL 112 2HG1 VAL 112 -4.773 0.654 8.115 803 HG13 VAL 112 3HG1 VAL 112 -5.867 0.560 9.495 804 HG21 VAL 112 3HG2 VAL 112 -2.404 1.802 9.683 805 HG22 VAL 112 1HG2 VAL 112 -2.802 3.512 9.508 806 HG23 VAL 112 2HG2 VAL 112 -2.934 2.428 8.124 807 H ASN 113 H ASN 113 -7.297 2.111 7.563 808 HA ASN 113 HA ASN 113 -9.542 1.726 7.747 809 HB2 ASN 113 2HB ASN 113 -8.856 1.586 10.694 810 HB3 ASN 113 1HB ASN 113 -10.422 1.158 10.037 811 HD21 ASN 113 1HD2 ASN 113 -9.438 -0.247 7.682 812 HD22 ASN 113 2HD2 ASN 113 -8.729 -1.697 8.328 813 H ARG 114 H ARG 114 -8.702 4.353 7.577 814 HA ARG 114 HA ARG 114 -9.333 6.478 7.669 815 HB2 ARG 114 2HB ARG 114 -12.016 5.431 8.599 816 HB3 ARG 114 1HB ARG 114 -11.702 7.056 8.020 817 HG2 ARG 114 2HG ARG 114 -12.505 6.162 6.117 818 HG3 ARG 114 1HG ARG 114 -10.819 5.724 5.905 819 HD2 ARG 114 2HD ARG 114 -11.916 3.735 5.426 820 HD3 ARG 114 1HD ARG 114 -11.469 3.532 7.115 821 HE ARG 114 HE ARG 114 -14.140 4.309 6.170 822 HH11 ARG 114 1HH1 ARG 114 -12.226 2.806 8.766 823 HH12 ARG 114 2HH1 ARG 114 -13.533 1.854 9.332 824 HH21 ARG 114 1HH2 ARG 114 -15.908 2.977 7.034 825 HH22 ARG 114 2HH2 ARG 114 -15.612 1.941 8.349 826 H GLU 115 H GLU 115 -8.410 5.073 10.251 827 HA GLU 115 HA GLU 115 -9.097 7.294 12.025 828 HB2 GLU 115 2HB GLU 115 -8.435 4.433 12.599 829 HB3 GLU 115 1HB GLU 115 -8.253 5.683 13.810 830 HG2 GLU 115 2HG GLU 115 -10.651 6.186 13.576 831 HG3 GLU 115 1HG GLU 115 -10.783 4.819 12.459 832 HA PRO 116 HA PRO 116 -4.695 8.237 12.039 833 HB2 PRO 116 2HB PRO 116 -5.227 8.965 14.876 834 HB3 PRO 116 1HB PRO 116 -4.494 9.943 13.601 835 HG2 PRO 116 2HG PRO 116 -6.978 10.434 14.457 836 HG3 PRO 116 1HG PRO 116 -6.543 10.599 12.746 837 HD2 PRO 116 2HD PRO 116 -8.069 8.405 14.100 838 HD3 PRO 116 1HD PRO 116 -8.277 9.126 12.490 839 H ARG 117 H ARG 117 -3.207 6.706 12.354 840 HA ARG 117 HA ARG 117 -3.379 4.956 14.675 841 HB2 ARG 117 2HB ARG 117 -4.616 3.936 12.733 842 HB3 ARG 117 1HB ARG 117 -3.129 4.001 11.807 843 HG2 ARG 117 2HG ARG 117 -3.477 1.780 12.598 844 HG3 ARG 117 1HG ARG 117 -2.094 2.460 13.456 845 HD2 ARG 117 2HD ARG 117 -3.489 1.248 15.004 846 HD3 ARG 117 1HD ARG 117 -3.600 2.970 15.361 847 HE ARG 117 HE ARG 117 -5.644 1.474 13.860 848 HH11 ARG 117 1HH1 ARG 117 -4.814 3.880 16.360 849 HH12 ARG 117 2HH1 ARG 117 -6.419 4.202 16.767 850 HH21 ARG 117 1HH2 ARG 117 -7.831 1.907 14.436 851 HH22 ARG 117 2HH2 ARG 117 -8.237 3.111 15.555 852 H ASN 118 H ASN 118 -1.303 4.190 15.255 853 HA ASN 118 HA ASN 118 0.876 5.553 13.846 854 HB2 ASN 118 2HB ASN 118 0.796 4.427 16.653 855 HB3 ASN 118 1HB ASN 118 2.201 5.196 15.922 856 HD21 ASN 118 1HD2 ASN 118 2.184 7.450 15.629 857 HD22 ASN 118 2HD2 ASN 118 1.015 8.464 16.377 858 H ALA 119 H ALA 119 -0.001 2.386 15.213 859 HA ALA 119 HA ALA 119 1.644 1.136 13.179 860 HB1 ALA 119 1HB ALA 119 2.614 -0.411 14.845 861 HB2 ALA 119 2HB ALA 119 1.855 0.517 16.139 862 HB3 ALA 119 3HB ALA 119 3.114 1.252 15.148 863 H GLN 120 H GLN 120 0.629 -0.670 12.424 864 HA GLN 120 HA GLN 120 -1.510 -1.863 14.013 865 HB2 GLN 120 2HB GLN 120 -2.601 -0.024 12.845 866 HB3 GLN 120 1HB GLN 120 -2.007 -0.619 11.303 867 HG2 GLN 120 2HG GLN 120 -4.348 -1.184 11.586 868 HG3 GLN 120 1HG GLN 120 -3.373 -2.648 11.584 869 HE21 GLN 120 1HE2 GLN 120 -4.989 -3.775 12.650 870 HE22 GLN 120 2HE2 GLN 120 -5.324 -3.564 14.322 871 H VAL 121 H VAL 121 -1.605 -3.995 13.700 872 HA VAL 121 HA VAL 121 -0.098 -5.262 11.593 873 HB VAL 121 HB VAL 121 -2.185 -6.466 13.463 874 HG11 VAL 121 1HG1 VAL 121 -1.696 -7.867 11.539 875 HG12 VAL 121 2HG1 VAL 121 -1.064 -8.603 13.015 876 HG13 VAL 121 3HG1 VAL 121 0.029 -7.788 11.899 877 HG21 VAL 121 3HG2 VAL 121 -0.383 -7.179 14.929 878 HG22 VAL 121 1HG2 VAL 121 -0.373 -5.426 14.773 879 HG23 VAL 121 2HG2 VAL 121 0.810 -6.406 13.900 880 H MET 122 H MET 122 -0.963 -5.353 9.584 881 HA MET 122 HA MET 122 -3.786 -4.696 9.444 882 HB2 MET 122 2HB MET 122 -1.620 -4.240 7.436 883 HB3 MET 122 1HB MET 122 -3.327 -4.147 7.016 884 HG2 MET 122 2HG MET 122 -3.651 -2.432 8.729 885 HG3 MET 122 1HG MET 122 -1.937 -2.505 9.123 886 HE1 MET 122 3HE MET 122 -3.504 -2.789 5.527 887 HE2 MET 122 1HE MET 122 -3.520 -1.099 5.030 888 HE3 MET 122 2HE MET 122 -4.569 -1.632 6.336 889 H GLN 123 H GLN 123 -5.227 -5.601 8.175 890 HA GLN 123 HA GLN 123 -4.566 -8.285 7.310 891 HB2 GLN 123 2HB GLN 123 -6.835 -8.947 8.060 892 HB3 GLN 123 1HB GLN 123 -5.826 -8.425 9.400 893 HG2 GLN 123 2HG GLN 123 -7.746 -7.355 9.946 894 HG3 GLN 123 1HG GLN 123 -7.052 -6.123 8.896 895 HE21 GLN 123 1HE2 GLN 123 -8.916 -5.230 8.192 896 HE22 GLN 123 2HE2 GLN 123 -10.077 -6.061 7.237 897 H THR 124 H THR 124 -6.074 -9.069 5.555 898 HA THR 124 HA THR 124 -5.990 -7.378 3.453 899 HB THR 124 HB THR 124 -7.503 -9.278 2.639 900 HG1 THR 124 1HG THR 124 -8.091 -9.701 4.905 901 HG21 THR 124 3HG2 THR 124 -5.079 -9.199 2.241 902 HG22 THR 124 1HG2 THR 124 -5.575 -10.842 2.647 903 HG23 THR 124 2HG2 THR 124 -4.791 -9.830 3.860 904 H GLY 125 H GLY 125 -7.393 -5.840 2.784 905 HA2 GLY 125 2HA GLY 125 -9.558 -5.029 2.307 906 HA3 GLY 125 1HA GLY 125 -10.168 -5.890 3.711 907 H ASP 126 H ASP 126 -7.442 -4.590 4.958 908 HA ASP 126 HA ASP 126 -8.801 -2.301 6.034 909 HB2 ASP 126 2HB ASP 126 -5.918 -3.202 6.278 910 HB3 ASP 126 1HB ASP 126 -6.535 -1.736 7.023 911 H GLU 127 H GLU 127 -8.410 -0.127 5.583 912 HA GLU 127 HA GLU 127 -6.886 0.322 3.130 913 HB2 GLU 127 2HB GLU 127 -8.314 2.264 2.691 914 HB3 GLU 127 1HB GLU 127 -9.254 0.788 2.794 915 HG2 GLU 127 2HG GLU 127 -8.984 2.719 5.087 916 HG3 GLU 127 1HG GLU 127 -10.250 2.855 3.873 917 H ILE 128 H ILE 128 -5.533 2.073 2.957 918 HA ILE 128 HA ILE 128 -4.819 3.415 5.474 919 HB ILE 128 HB ILE 128 -3.001 2.941 3.089 920 HG12 ILE 128 2HG1 ILE 128 -3.072 1.397 5.693 921 HG13 ILE 128 1HG1 ILE 128 -3.626 0.797 4.132 922 HG21 ILE 128 1HG2 ILE 128 -2.422 3.809 5.928 923 HG22 ILE 128 2HG2 ILE 128 -2.411 4.849 4.508 924 HG23 ILE 128 3HG2 ILE 128 -1.218 3.561 4.665 925 HD11 ILE 128 3HD1 ILE 128 -1.410 -0.052 4.698 926 HD12 ILE 128 1HD1 ILE 128 -0.801 1.597 4.804 927 HD13 ILE 128 2HD1 ILE 128 -1.358 0.957 3.254 928 H GLN 129 H GLN 129 -5.082 5.516 5.403 929 HA GLN 129 HA GLN 129 -5.485 6.926 2.855 930 HB2 GLN 129 2HB GLN 129 -7.226 6.974 4.761 931 HB3 GLN 129 1HB GLN 129 -5.991 7.802 5.684 932 HG2 GLN 129 2HG GLN 129 -7.454 9.475 4.932 933 HG3 GLN 129 1HG GLN 129 -6.021 9.595 3.915 934 HE21 GLN 129 1HE2 GLN 129 -6.213 9.123 1.738 935 HE22 GLN 129 2HE2 GLN 129 -7.754 8.905 0.979 936 H ILE 130 H ILE 130 -3.563 7.832 2.239 937 HA ILE 130 HA ILE 130 -1.676 8.625 4.335 938 HB ILE 130 HB ILE 130 -1.129 7.938 1.421 939 HG12 ILE 130 2HG1 ILE 130 -0.368 6.479 3.968 940 HG13 ILE 130 1HG1 ILE 130 -1.570 5.956 2.796 941 HG21 ILE 130 1HG2 ILE 130 1.252 8.214 1.975 942 HG22 ILE 130 2HG2 ILE 130 0.809 8.758 3.592 943 HG23 ILE 130 3HG2 ILE 130 0.353 9.718 2.187 944 HD11 ILE 130 3HD1 ILE 130 0.214 5.703 1.116 945 HD12 ILE 130 1HD1 ILE 130 0.483 4.699 2.542 946 HD13 ILE 130 2HD1 ILE 130 1.396 6.190 2.328 947 H GLY 131 H GLY 131 -2.128 10.665 4.735 948 HA2 GLY 131 2HA GLY 131 -2.211 12.910 4.421 949 HA3 GLY 131 1HA GLY 131 -1.561 12.646 2.806 950 H LYS 132 H LYS 132 -2.888 12.594 1.101 951 HA LYS 132 HA LYS 132 -5.698 13.063 1.687 952 HB2 LYS 132 2HB LYS 132 -5.740 14.560 -0.378 953 HB3 LYS 132 1HB LYS 132 -4.984 15.185 1.075 954 HG2 LYS 132 2HG LYS 132 -2.775 14.606 0.139 955 HG3 LYS 132 1HG LYS 132 -3.578 14.061 -1.335 956 HD2 LYS 132 2HD LYS 132 -3.886 16.856 -0.240 957 HD3 LYS 132 1HD LYS 132 -2.612 16.423 -1.372 958 HE2 LYS 132 2HE LYS 132 -5.577 16.105 -1.885 959 HE3 LYS 132 1HE LYS 132 -4.589 17.440 -2.465 960 HZ1 LYS 132 3HZ LYS 132 -4.252 14.573 -3.220 961 HZ2 LYS 132 1HZ LYS 132 -3.244 15.824 -3.707 962 HZ3 LYS 132 2HZ LYS 132 -4.835 15.801 -4.196 963 H PHE 133 H PHE 133 -3.844 10.737 0.341 964 HA PHE 133 HA PHE 133 -6.157 9.995 -1.177 965 HB2 PHE 133 2HB PHE 133 -4.655 8.861 -2.890 966 HB3 PHE 133 1HB PHE 133 -4.878 10.596 -3.024 967 HD1 PHE 133 2HD PHE 133 -2.564 7.880 -2.207 968 HD2 PHE 133 1HD PHE 133 -3.023 12.068 -2.739 969 HE1 PHE 133 2HE PHE 133 -0.131 8.133 -2.334 970 HE2 PHE 133 1HE PHE 133 -0.584 12.326 -2.878 971 HZ PHE 133 HZ PHE 133 0.859 10.381 -2.692 972 H ARG 134 H ARG 134 -5.893 7.470 -1.906 973 HA ARG 134 HA ARG 134 -5.345 6.228 0.695 974 HB2 ARG 134 2HB ARG 134 -7.701 6.898 0.601 975 HB3 ARG 134 1HB ARG 134 -7.920 5.958 -0.864 976 HG2 ARG 134 2HG ARG 134 -7.469 3.903 0.387 977 HG3 ARG 134 1HG ARG 134 -7.214 4.849 1.851 978 HD2 ARG 134 2HD ARG 134 -9.779 4.700 0.267 979 HD3 ARG 134 1HD ARG 134 -9.467 3.866 1.787 980 HE ARG 134 HE ARG 134 -9.110 6.704 1.973 981 HH11 ARG 134 1HH1 ARG 134 -11.587 4.133 2.171 982 HH12 ARG 134 2HH1 ARG 134 -12.700 5.131 2.968 983 HH21 ARG 134 1HH2 ARG 134 -10.618 7.971 3.127 984 HH22 ARG 134 2HH2 ARG 134 -12.148 7.315 3.570 985 H LEU 135 H LEU 135 -4.656 4.228 0.703 986 HA LEU 135 HA LEU 135 -4.487 2.682 -1.787 987 HB2 LEU 135 2HB LEU 135 -2.503 2.818 0.515 988 HB3 LEU 135 1HB LEU 135 -2.420 1.654 -0.779 989 HG LEU 135 HG LEU 135 -2.035 3.585 -2.366 990 HD11 LEU 135 1HD1 LEU 135 -1.663 5.154 0.175 991 HD12 LEU 135 2HD1 LEU 135 -2.902 5.421 -1.053 992 HD13 LEU 135 3HD1 LEU 135 -1.199 5.685 -1.442 993 HD21 LEU 135 3HD2 LEU 135 0.321 3.851 -1.723 994 HD22 LEU 135 1HD2 LEU 135 -0.229 2.177 -1.633 995 HD23 LEU 135 2HD2 LEU 135 -0.050 3.126 -0.157 996 H VAL 136 H VAL 136 -5.075 0.498 -1.508 997 HA VAL 136 HA VAL 136 -6.140 -0.122 1.160 998 HB VAL 136 HB VAL 136 -7.284 -1.162 -1.460 999 HG11 VAL 136 1HG1 VAL 136 -7.711 -2.626 0.438 1000 HG12 VAL 136 2HG1 VAL 136 -9.207 -1.848 -0.081 1001 HG13 VAL 136 3HG1 VAL 136 -8.368 -1.274 1.357 1002 HG21 VAL 136 3HG2 VAL 136 -8.364 1.055 0.286 1003 HG22 VAL 136 1HG2 VAL 136 -9.169 0.372 -1.125 1004 HG23 VAL 136 2HG2 VAL 136 -7.653 1.256 -1.315 1005 H PHE 137 H PHE 137 -5.734 -2.145 1.980 1006 HA PHE 137 HA PHE 137 -3.530 -3.587 0.722 1007 HB2 PHE 137 2HB PHE 137 -3.439 -2.792 3.083 1008 HB3 PHE 137 1HB PHE 137 -4.808 -3.818 3.454 1009 HD1 PHE 137 2HD PHE 137 -1.283 -3.858 2.328 1010 HD2 PHE 137 1HD PHE 137 -4.474 -6.031 4.106 1011 HE1 PHE 137 2HE PHE 137 0.284 -5.647 2.943 1012 HE2 PHE 137 1HE PHE 137 -2.916 -7.823 4.729 1013 HZ PHE 137 HZ PHE 137 -0.533 -7.633 4.151 1014 H LEU 138 H LEU 138 -4.052 -5.332 -0.530 1015 HA LEU 138 HA LEU 138 -6.532 -6.794 0.078 1016 HB2 LEU 138 2HB LEU 138 -5.368 -6.170 -2.637 1017 HB3 LEU 138 1HB LEU 138 -6.549 -7.425 -2.384 1018 HG LEU 138 HG LEU 138 -8.120 -5.616 -1.548 1019 HD11 LEU 138 1HD1 LEU 138 -7.684 -3.339 -2.258 1020 HD12 LEU 138 2HD1 LEU 138 -6.076 -3.806 -2.798 1021 HD13 LEU 138 3HD1 LEU 138 -6.487 -3.883 -1.084 1022 HD21 LEU 138 3HD2 LEU 138 -8.323 -6.632 -3.735 1023 HD22 LEU 138 1HD2 LEU 138 -7.159 -5.483 -4.394 1024 HD23 LEU 138 2HD2 LEU 138 -8.719 -4.914 -3.803 1025 H ALA 139 H ALA 139 -6.575 -9.027 -0.586 1026 HA ALA 139 HA ALA 139 -4.149 -10.400 0.054 1027 HB1 ALA 139 1HB ALA 139 -5.487 -12.426 -0.289 1028 HB2 ALA 139 2HB ALA 139 -6.790 -11.456 -0.966 1029 HB3 ALA 139 3HB ALA 139 -6.358 -11.280 0.732 1030 H GLY 140 H GLY 140 -2.724 -11.260 -1.367 1031 HA2 GLY 140 2HA GLY 140 -3.422 -11.000 -4.200 1032 HA3 GLY 140 1HA GLY 140 -1.826 -10.614 -3.570 1033 HA PRO 141 HA PRO 141 -2.507 -15.348 -4.477 1034 HB2 PRO 141 2HB PRO 141 -1.413 -14.666 -7.153 1035 HB3 PRO 141 1HB PRO 141 -2.652 -15.845 -6.713 1036 HG2 PRO 141 2HG PRO 141 -3.325 -13.564 -7.900 1037 HG3 PRO 141 1HG PRO 141 -4.328 -14.250 -6.607 1038 HD2 PRO 141 2HD PRO 141 -2.396 -11.974 -6.494 1039 HD3 PRO 141 1HD PRO 141 -3.982 -12.167 -5.715 1040 H ALA 142 H ALA 142 -0.684 -16.733 -4.602 1041 HA ALA 142 HA ALA 142 1.777 -15.447 -3.820 1042 HB1 ALA 142 1HB ALA 142 2.524 -17.700 -3.192 1043 HB2 ALA 142 2HB ALA 142 1.073 -18.389 -3.923 1044 HB3 ALA 142 3HB ALA 142 0.935 -17.357 -2.504 1045 H GLU 143 H GLU 143 1.574 -14.679 -6.008 1046 HA GLU 143 HA GLU 143 2.311 -16.141 -8.291 1047 HB2 GLU 143 2HB GLU 143 1.223 -13.885 -8.276 1048 HB3 GLU 143 1HB GLU 143 2.748 -13.199 -7.749 1049 HG2 GLU 143 2HG GLU 143 3.788 -13.964 -9.835 1050 HG3 GLU 143 1HG GLU 143 2.234 -14.599 -10.363 Start of MODEL 18 1 H1 MET 1 1HT MET 1 12.896 -16.758 2.791 2 H2 MET 1 2HT MET 1 12.677 -15.091 2.960 3 H3 MET 1 3HT MET 1 12.412 -16.110 4.287 4 HA MET 1 HA MET 1 14.464 -14.895 4.410 5 HB2 MET 1 2HB MET 1 14.733 -17.886 4.010 6 HB3 MET 1 1HB MET 1 16.017 -16.880 4.659 7 HG2 MET 1 2HG MET 1 14.818 -18.023 6.425 8 HG3 MET 1 1HG MET 1 14.632 -16.277 6.558 9 HE1 MET 1 2HE MET 1 11.236 -17.648 7.961 10 HE2 MET 1 3HE MET 1 12.631 -16.618 8.276 11 HE3 MET 1 1HE MET 1 12.833 -18.366 8.159 12 H SER 2 H SER 2 16.675 -14.677 3.595 13 HA SER 2 HA SER 2 18.128 -14.042 2.023 14 HB2 SER 2 2HB SER 2 16.536 -15.740 0.062 15 HB3 SER 2 1HB SER 2 18.105 -15.006 -0.273 16 HG SER 2 HG SER 2 17.844 -16.576 2.005 17 H ASP 3 H ASP 3 15.184 -13.136 2.353 18 HA ASP 3 HA ASP 3 15.205 -11.177 0.211 19 HB2 ASP 3 2HB ASP 3 12.779 -10.787 0.837 20 HB3 ASP 3 1HB ASP 3 13.118 -12.366 0.155 21 H ASN 4 H ASN 4 15.789 -9.249 0.670 22 HA ASN 4 HA ASN 4 15.185 -8.032 3.196 23 HB2 ASN 4 2HB ASN 4 17.456 -7.243 3.624 24 HB3 ASN 4 1HB ASN 4 17.475 -8.994 3.566 25 HD21 ASN 4 1HD2 ASN 4 19.549 -6.876 3.090 26 HD22 ASN 4 2HD2 ASN 4 20.247 -7.288 1.566 27 H ASN 5 H ASN 5 16.256 -5.605 2.894 28 HA ASN 5 HA ASN 5 15.697 -4.833 0.130 29 HB2 ASN 5 2HB ASN 5 14.360 -3.661 2.561 30 HB3 ASN 5 1HB ASN 5 14.386 -2.881 0.989 31 HD21 ASN 5 1HD2 ASN 5 13.287 -3.845 -0.707 32 HD22 ASN 5 2HD2 ASN 5 11.966 -4.914 -0.417 33 H GLY 6 H GLY 6 16.929 -3.242 -0.577 34 HA2 GLY 6 2HA GLY 6 18.876 -1.995 1.099 35 HA3 GLY 6 1HA GLY 6 18.500 -1.589 -0.577 36 H THR 7 H THR 7 17.947 -0.778 2.653 37 HA THR 7 HA THR 7 15.405 0.449 2.221 38 HB THR 7 HB THR 7 16.047 -0.698 4.353 39 HG1 THR 7 1HG THR 7 14.882 0.545 5.543 40 HG21 THR 7 3HG2 THR 7 17.783 1.735 4.802 41 HG22 THR 7 1HG2 THR 7 18.349 0.081 4.582 42 HG23 THR 7 2HG2 THR 7 17.414 0.507 6.015 43 HA PRO 8 HA PRO 8 16.743 4.607 1.091 44 HB2 PRO 8 2HB PRO 8 14.511 5.493 2.841 45 HB3 PRO 8 1HB PRO 8 14.800 5.855 1.137 46 HG2 PRO 8 2HG PRO 8 12.863 4.161 1.914 47 HG3 PRO 8 1HG PRO 8 13.767 3.928 0.415 48 HD2 PRO 8 2HD PRO 8 13.988 2.485 3.003 49 HD3 PRO 8 1HD PRO 8 14.232 1.898 1.345 50 H GLU 9 H GLU 9 17.961 6.187 2.148 51 HA GLU 9 HA GLU 9 18.766 5.386 4.776 52 HB2 GLU 9 2HB GLU 9 19.756 7.596 2.982 53 HB3 GLU 9 1HB GLU 9 20.437 7.208 4.554 54 HG2 GLU 9 2HG GLU 9 21.024 4.993 3.786 55 HG3 GLU 9 1HG GLU 9 20.296 5.335 2.217 56 HA PRO 10 HA PRO 10 16.236 8.177 7.031 57 HB2 PRO 10 2HB PRO 10 17.941 8.564 9.191 58 HB3 PRO 10 1HB PRO 10 16.809 7.217 9.036 59 HG2 PRO 10 2HG PRO 10 19.740 7.297 8.511 60 HG3 PRO 10 1HG PRO 10 18.746 5.987 9.168 61 HD2 PRO 10 2HD PRO 10 19.651 6.012 6.621 62 HD3 PRO 10 1HD PRO 10 18.116 5.253 7.084 63 H GLN 11 H GLN 11 16.173 9.980 5.989 64 HA GLN 11 HA GLN 11 18.499 11.714 5.679 65 HB2 GLN 11 2HB GLN 11 16.956 11.143 3.788 66 HB3 GLN 11 1HB GLN 11 15.662 11.952 4.646 67 HG2 GLN 11 2HG GLN 11 16.942 14.056 4.497 68 HG3 GLN 11 1HG GLN 11 18.162 13.218 3.543 69 HE21 GLN 11 1HE2 GLN 11 17.802 14.448 1.710 70 HE22 GLN 11 2HE2 GLN 11 16.349 14.323 0.774 71 H VAL 12 H VAL 12 18.280 13.982 6.370 72 HA VAL 12 HA VAL 12 16.508 14.156 8.700 73 HB VAL 12 HB VAL 12 19.047 15.705 8.082 74 HG11 VAL 12 1HG1 VAL 12 17.329 15.734 10.570 75 HG12 VAL 12 2HG1 VAL 12 17.506 17.044 9.406 76 HG13 VAL 12 3HG1 VAL 12 18.885 16.544 10.386 77 HG21 VAL 12 3HG2 VAL 12 19.516 13.381 8.619 78 HG22 VAL 12 1HG2 VAL 12 18.556 13.508 10.093 79 HG23 VAL 12 2HG2 VAL 12 20.047 14.435 9.930 80 H GLU 13 H GLU 13 14.816 15.405 8.482 81 HA GLU 13 HA GLU 13 14.971 17.972 7.280 82 HB2 GLU 13 2HB GLU 13 14.481 16.593 5.275 83 HB3 GLU 13 1HB GLU 13 13.097 15.893 6.102 84 HG2 GLU 13 2HG GLU 13 12.031 18.095 6.214 85 HG3 GLU 13 1HG GLU 13 13.418 18.810 5.401 86 H THR 14 H THR 14 13.660 19.243 8.404 87 HA THR 14 HA THR 14 12.123 18.153 10.513 88 HB THR 14 HB THR 14 12.257 21.005 9.487 89 HG1 THR 14 1HG THR 14 13.945 21.164 11.089 90 HG21 THR 14 3HG2 THR 14 10.460 20.548 11.136 91 HG22 THR 14 1HG2 THR 14 11.720 21.573 11.824 92 HG23 THR 14 2HG2 THR 14 11.656 19.862 12.234 93 H TPO 15 H TPO 15 9.965 17.838 10.519 94 HA TPO 15 HA TPO 15 8.614 18.179 7.949 95 HB TPO 15 HB TPO 15 7.802 16.519 10.351 96 HG21 TPO 15 1HG2 TPO 15 6.861 16.471 7.493 97 HG22 TPO 15 2HG2 TPO 15 5.957 17.120 8.862 98 HG23 TPO 15 3HG2 TPO 15 6.321 15.393 8.781 99 H SER 16 H SER 16 7.272 19.861 7.797 100 HA SER 16 HA SER 16 6.142 21.117 10.129 101 HB2 SER 16 2HB SER 16 5.818 21.702 7.170 102 HB3 SER 16 1HB SER 16 5.372 22.764 8.504 103 HG SER 16 HG SER 16 7.427 23.165 8.934 104 H VAL 17 H VAL 17 4.183 20.524 10.839 105 HA VAL 17 HA VAL 17 2.830 18.382 9.449 106 HB VAL 17 HB VAL 17 2.179 19.622 12.134 107 HG11 VAL 17 1HG1 VAL 17 0.295 18.411 11.177 108 HG12 VAL 17 2HG1 VAL 17 0.945 17.557 12.572 109 HG13 VAL 17 3HG1 VAL 17 1.312 16.990 10.943 110 HG21 VAL 17 3HG2 VAL 17 3.346 17.693 13.112 111 HG22 VAL 17 1HG2 VAL 17 4.430 18.690 12.139 112 HG23 VAL 17 2HG2 VAL 17 3.817 17.165 11.497 113 H PHE 18 H PHE 18 0.921 18.496 8.437 114 HA PHE 18 HA PHE 18 -0.598 20.974 8.622 115 HB2 PHE 18 2HB PHE 18 -1.197 20.828 6.273 116 HB3 PHE 18 1HB PHE 18 0.551 20.760 6.387 117 HD1 PHE 18 1HD PHE 18 -2.497 18.906 5.540 118 HD2 PHE 18 2HD PHE 18 1.744 18.721 5.765 119 HE1 PHE 18 1HE PHE 18 -2.522 16.882 4.148 120 HE2 PHE 18 2HE PHE 18 1.725 16.688 4.371 121 HZ PHE 18 HZ PHE 18 -0.408 15.768 3.564 122 H ARG 19 H ARG 19 -2.787 20.681 8.860 123 HA ARG 19 HA ARG 19 -3.608 17.976 9.446 124 HB2 ARG 19 2HB ARG 19 -5.761 18.925 10.159 125 HB3 ARG 19 1HB ARG 19 -4.414 19.719 10.946 126 HG2 ARG 19 2HG ARG 19 -4.652 21.625 9.448 127 HG3 ARG 19 1HG ARG 19 -5.996 20.817 8.630 128 HD2 ARG 19 2HD ARG 19 -7.246 20.769 10.714 129 HD3 ARG 19 1HD ARG 19 -5.908 21.538 11.554 130 HE ARG 19 HE ARG 19 -7.052 22.950 9.299 131 HH11 ARG 19 1HH1 ARG 19 -6.898 22.572 12.823 132 HH12 ARG 19 2HH1 ARG 19 -7.509 24.135 13.155 133 HH21 ARG 19 1HH2 ARG 19 -7.946 25.093 9.788 134 HH22 ARG 19 2HH2 ARG 19 -8.139 25.559 11.416 135 H ALA 20 H ALA 20 -4.959 16.739 8.275 136 HA ALA 20 HA ALA 20 -5.527 17.725 5.578 137 HB1 ALA 20 1HB ALA 20 -4.115 15.735 5.667 138 HB2 ALA 20 2HB ALA 20 -5.673 15.356 4.930 139 HB3 ALA 20 3HB ALA 20 -5.347 14.892 6.602 140 H ASP 21 H ASP 21 -7.550 17.286 4.661 141 HA ASP 21 HA ASP 21 -9.708 17.419 6.626 142 HB2 ASP 21 2HB ASP 21 -9.541 19.111 4.814 143 HB3 ASP 21 1HB ASP 21 -9.746 17.838 3.630 144 H LEU 22 H LEU 22 -8.189 15.011 5.224 145 HA LEU 22 HA LEU 22 -10.113 13.456 3.933 146 HB2 LEU 22 2HB LEU 22 -8.580 11.514 4.329 147 HB3 LEU 22 1HB LEU 22 -7.866 12.897 3.543 148 HG LEU 22 HG LEU 22 -6.789 13.515 5.722 149 HD11 LEU 22 1HD1 LEU 22 -7.796 10.832 6.627 150 HD12 LEU 22 2HD1 LEU 22 -8.306 12.401 7.253 151 HD13 LEU 22 3HD1 LEU 22 -6.644 11.854 7.483 152 HD21 LEU 22 3HD2 LEU 22 -6.170 10.758 4.722 153 HD22 LEU 22 1HD2 LEU 22 -5.083 11.793 5.636 154 HD23 LEU 22 2HD2 LEU 22 -5.581 12.263 4.009 155 H LEU 23 H LEU 23 -9.940 14.062 7.301 156 HA LEU 23 HA LEU 23 -11.006 11.613 8.158 157 HB2 LEU 23 2HB LEU 23 -11.244 12.574 10.299 158 HB3 LEU 23 1HB LEU 23 -9.736 13.132 9.638 159 HG LEU 23 HG LEU 23 -12.265 14.787 9.870 160 HD11 LEU 23 1HD1 LEU 23 -9.731 14.816 11.492 161 HD12 LEU 23 2HD1 LEU 23 -11.315 14.268 12.038 162 HD13 LEU 23 3HD1 LEU 23 -11.054 15.968 11.646 163 HD21 LEU 23 3HD2 LEU 23 -9.457 15.597 9.086 164 HD22 LEU 23 1HD2 LEU 23 -10.809 16.695 9.367 165 HD23 LEU 23 2HD2 LEU 23 -10.864 15.557 8.022 166 H LYS 24 H LYS 24 -12.393 14.049 6.408 167 HA LYS 24 HA LYS 24 -15.095 13.806 7.390 168 HB2 LYS 24 2HB LYS 24 -14.094 14.842 4.730 169 HB3 LYS 24 1HB LYS 24 -15.681 15.125 5.428 170 HG2 LYS 24 2HG LYS 24 -13.063 16.128 6.528 171 HG3 LYS 24 1HG LYS 24 -14.226 17.079 5.612 172 HD2 LYS 24 2HD LYS 24 -15.886 16.741 7.390 173 HD3 LYS 24 1HD LYS 24 -14.725 15.761 8.274 174 HE2 LYS 24 2HE LYS 24 -14.881 18.112 9.078 175 HE3 LYS 24 1HE LYS 24 -13.265 17.597 8.605 176 HZ1 LYS 24 3HZ LYS 24 -15.091 19.182 6.869 177 HZ2 LYS 24 1HZ LYS 24 -13.471 18.823 6.554 178 HZ3 LYS 24 2HZ LYS 24 -13.880 19.853 7.817 179 H GLU 25 H GLU 25 -12.997 12.271 5.101 180 HA GLU 25 HA GLU 25 -15.137 10.830 3.779 181 HB2 GLU 25 2HB GLU 25 -12.729 11.749 2.943 182 HB3 GLU 25 1HB GLU 25 -12.289 10.109 3.383 183 HG2 GLU 25 2HG GLU 25 -14.365 10.947 1.380 184 HG3 GLU 25 1HG GLU 25 -12.789 10.241 1.042 185 H MET 26 H MET 26 -12.922 10.566 6.339 186 HA MET 26 HA MET 26 -12.424 7.862 6.684 187 HB2 MET 26 2HB MET 26 -11.386 9.626 8.004 188 HB3 MET 26 1HB MET 26 -12.916 9.957 8.804 189 HG2 MET 26 2HG MET 26 -12.835 7.640 9.717 190 HG3 MET 26 1HG MET 26 -11.224 7.480 9.021 191 HE1 MET 26 3HE MET 26 -12.398 10.315 12.447 192 HE2 MET 26 1HE MET 26 -13.479 9.169 11.669 193 HE3 MET 26 2HE MET 26 -12.946 10.613 10.800 194 H GLU 27 H GLU 27 -15.173 9.743 7.975 195 HA GLU 27 HA GLU 27 -16.343 7.310 8.949 196 HB2 GLU 27 2HB GLU 27 -18.136 8.808 9.884 197 HB3 GLU 27 1HB GLU 27 -16.519 9.129 10.471 198 HG2 GLU 27 2HG GLU 27 -17.410 11.241 10.154 199 HG3 GLU 27 1HG GLU 27 -16.475 10.993 8.685 200 H SER 28 H SER 28 -16.339 8.878 6.096 201 HA SER 28 HA SER 28 -18.992 8.309 5.216 202 HB2 SER 28 2HB SER 28 -17.798 10.193 4.268 203 HB3 SER 28 1HB SER 28 -16.465 9.154 3.787 204 HG SER 28 HG SER 28 -17.423 9.068 2.021 205 H SER 29 H SER 29 -15.802 6.830 4.876 206 HA SER 29 HA SER 29 -16.901 4.666 3.319 207 HB2 SER 29 2HB SER 29 -14.113 5.188 4.317 208 HB3 SER 29 1HB SER 29 -14.567 3.801 3.322 209 HG SER 29 HG SER 29 -14.364 6.518 2.595 210 H THR 30 H THR 30 -16.442 5.271 6.622 211 HA THR 30 HA THR 30 -16.130 2.558 7.433 212 HB THR 30 HB THR 30 -17.045 4.992 9.001 213 HG1 THR 30 1HG THR 30 -14.937 5.320 8.358 214 HG21 THR 30 3HG2 THR 30 -17.705 2.879 10.096 215 HG22 THR 30 1HG2 THR 30 -16.428 3.687 11.004 216 HG23 THR 30 2HG2 THR 30 -16.047 2.299 9.984 217 H GLY 31 H GLY 31 -17.656 1.078 7.206 218 HA2 GLY 31 2HA GLY 31 -20.199 1.116 8.182 219 HA3 GLY 31 1HA GLY 31 -20.331 1.727 6.535 220 H THR 32 H THR 32 -18.836 0.361 4.982 221 HA THR 32 HA THR 32 -19.480 -2.451 5.534 222 HB THR 32 HB THR 32 -19.461 -2.729 3.039 223 HG1 THR 32 1HG THR 32 -18.313 -0.494 2.898 224 HG21 THR 32 3HG2 THR 32 -21.465 -0.751 4.143 225 HG22 THR 32 1HG2 THR 32 -21.586 -2.508 4.226 226 HG23 THR 32 2HG2 THR 32 -21.677 -1.691 2.665 227 H ALA 33 H ALA 33 -17.732 -3.692 5.881 228 HA ALA 33 HA ALA 33 -15.315 -3.045 4.381 229 HB1 ALA 33 1HB ALA 33 -13.971 -3.801 6.297 230 HB2 ALA 33 2HB ALA 33 -15.446 -4.062 7.223 231 HB3 ALA 33 3HB ALA 33 -14.987 -2.428 6.740 232 HA PRO 34 HA PRO 34 -15.672 -7.407 3.247 233 HB2 PRO 34 2HB PRO 34 -12.757 -7.367 2.828 234 HB3 PRO 34 1HB PRO 34 -14.027 -7.632 1.633 235 HG2 PRO 34 2HG PRO 34 -12.547 -5.386 1.650 236 HG3 PRO 34 1HG PRO 34 -14.258 -5.378 1.189 237 HD2 PRO 34 2HD PRO 34 -12.995 -4.571 3.781 238 HD3 PRO 34 1HD PRO 34 -14.305 -3.790 2.858 239 H ALA 35 H ALA 35 -14.941 -9.482 4.202 240 HA ALA 35 HA ALA 35 -14.263 -9.248 6.935 241 HB1 ALA 35 1HB ALA 35 -14.106 -11.677 5.126 242 HB2 ALA 35 2HB ALA 35 -15.506 -11.192 6.080 243 HB3 ALA 35 3HB ALA 35 -14.026 -11.712 6.888 244 H SER 36 H SER 36 -12.358 -9.036 7.859 245 HA SER 36 HA SER 36 -10.101 -8.814 6.044 246 HB2 SER 36 2HB SER 36 -10.400 -7.736 8.844 247 HB3 SER 36 1HB SER 36 -9.216 -7.271 7.623 248 HG SER 36 HG SER 36 -11.800 -7.055 6.735 249 H THR 37 H THR 37 -11.278 -10.900 8.353 250 HA THR 37 HA THR 37 -8.849 -11.729 9.536 251 HB THR 37 HB THR 37 -10.997 -12.036 10.687 252 HG1 THR 37 1HG THR 37 -9.747 -13.512 11.490 253 HG21 THR 37 3HG2 THR 37 -12.580 -13.778 9.931 254 HG22 THR 37 1HG2 THR 37 -11.633 -13.966 8.458 255 HG23 THR 37 2HG2 THR 37 -12.454 -12.440 8.785 256 H GLY 38 H GLY 38 -7.669 -13.603 9.102 257 HA2 GLY 38 2HA GLY 38 -7.579 -15.722 7.821 258 HA3 GLY 38 1HA GLY 38 -8.070 -14.761 6.424 259 H ALA 39 H ALA 39 -6.385 -12.615 7.832 260 HA ALA 39 HA ALA 39 -4.195 -12.835 6.101 261 HB1 ALA 39 1HB ALA 39 -5.044 -10.677 6.875 262 HB2 ALA 39 2HB ALA 39 -3.318 -10.830 7.207 263 HB3 ALA 39 3HB ALA 39 -4.490 -11.044 8.509 264 H GLU 40 H GLU 40 -4.721 -13.877 9.299 265 HA GLU 40 HA GLU 40 -2.053 -14.216 10.179 266 HB2 GLU 40 2HB GLU 40 -3.106 -15.574 11.960 267 HB3 GLU 40 1HB GLU 40 -3.881 -14.011 11.734 268 HG2 GLU 40 2HG GLU 40 -5.626 -15.162 10.347 269 HG3 GLU 40 1HG GLU 40 -4.872 -16.682 10.777 270 H ASN 41 H ASN 41 -4.040 -16.091 8.038 271 HA ASN 41 HA ASN 41 -2.545 -18.561 8.532 272 HB2 ASN 41 2HB ASN 41 -5.003 -18.028 6.839 273 HB3 ASN 41 1HB ASN 41 -4.190 -19.582 6.927 274 HD21 ASN 41 1HD2 ASN 41 -6.025 -20.607 7.700 275 HD22 ASN 41 2HD2 ASN 41 -6.606 -20.374 9.303 276 H LEU 42 H LEU 42 -2.578 -15.876 6.610 277 HA LEU 42 HA LEU 42 -1.670 -15.217 4.627 278 HB2 LEU 42 2HB LEU 42 0.118 -17.505 5.319 279 HB3 LEU 42 1HB LEU 42 0.490 -16.384 4.006 280 HG LEU 42 HG LEU 42 0.352 -15.781 6.975 281 HD11 LEU 42 1HD1 LEU 42 2.684 -15.838 5.070 282 HD12 LEU 42 2HD1 LEU 42 2.336 -17.031 6.321 283 HD13 LEU 42 3HD1 LEU 42 2.747 -15.378 6.772 284 HD21 LEU 42 3HD2 LEU 42 0.984 -13.965 4.650 285 HD22 LEU 42 1HD2 LEU 42 1.179 -13.549 6.355 286 HD23 LEU 42 2HD2 LEU 42 -0.426 -13.869 5.711 287 HA PRO 43 HA PRO 43 -4.234 -18.668 2.637 288 HB2 PRO 43 2HB PRO 43 -5.659 -16.900 1.052 289 HB3 PRO 43 1HB PRO 43 -6.178 -17.452 2.643 290 HG2 PRO 43 2HG PRO 43 -4.726 -14.946 1.882 291 HG3 PRO 43 1HG PRO 43 -6.083 -15.139 3.016 292 HD2 PRO 43 2HD PRO 43 -3.619 -14.845 3.920 293 HD3 PRO 43 1HD PRO 43 -4.696 -16.038 4.673 294 H ALA 44 H ALA 44 -3.302 -15.788 0.830 295 HA ALA 44 HA ALA 44 -2.897 -17.303 -1.575 296 HB1 ALA 44 1HB ALA 44 -3.872 -15.074 -1.604 297 HB2 ALA 44 2HB ALA 44 -2.415 -15.160 -2.596 298 HB3 ALA 44 3HB ALA 44 -2.357 -14.401 -1.005 299 H GLY 45 H GLY 45 -0.940 -16.331 1.042 300 HA2 GLY 45 2HA GLY 45 1.294 -16.887 1.446 301 HA3 GLY 45 1HA GLY 45 1.399 -17.486 -0.206 302 H SER 46 H SER 46 0.088 -14.607 -0.662 303 HA SER 46 HA SER 46 2.337 -12.868 -0.252 304 HB2 SER 46 2HB SER 46 1.249 -13.450 -3.033 305 HB3 SER 46 1HB SER 46 2.480 -12.249 -2.636 306 HG SER 46 HG SER 46 3.129 -14.686 -1.686 307 H ALA 47 H ALA 47 1.624 -10.591 -0.809 308 HA ALA 47 HA ALA 47 -1.239 -10.248 -1.059 309 HB1 ALA 47 1HB ALA 47 0.353 -9.158 1.260 310 HB2 ALA 47 2HB ALA 47 -0.859 -10.435 1.348 311 HB3 ALA 47 3HB ALA 47 -1.336 -8.795 0.908 312 H LEU 48 H LEU 48 -1.785 -7.952 -1.500 313 HA LEU 48 HA LEU 48 0.483 -6.397 -2.377 314 HB2 LEU 48 2HB LEU 48 -0.670 -5.898 -4.567 315 HB3 LEU 48 1HB LEU 48 0.042 -7.479 -4.413 316 HG LEU 48 HG LEU 48 -2.263 -8.415 -4.040 317 HD11 LEU 48 1HD1 LEU 48 -3.414 -6.408 -3.266 318 HD12 LEU 48 2HD1 LEU 48 -4.206 -7.099 -4.681 319 HD13 LEU 48 3HD1 LEU 48 -3.191 -5.668 -4.852 320 HD21 LEU 48 3HD2 LEU 48 -1.162 -8.479 -6.222 321 HD22 LEU 48 1HD2 LEU 48 -1.855 -6.909 -6.609 322 HD23 LEU 48 2HD2 LEU 48 -2.911 -8.302 -6.379 323 H LEU 49 H LEU 49 0.036 -4.169 -2.735 324 HA LEU 49 HA LEU 49 -2.509 -3.350 -1.542 325 HB2 LEU 49 2HB LEU 49 -1.563 -1.422 -0.538 326 HB3 LEU 49 1HB LEU 49 -0.460 -2.714 -0.152 327 HG LEU 49 HG LEU 49 0.018 -0.631 -2.306 328 HD11 LEU 49 1HD1 LEU 49 -0.062 0.342 -0.079 329 HD12 LEU 49 2HD1 LEU 49 1.571 0.375 -0.748 330 HD13 LEU 49 3HD1 LEU 49 1.146 -0.816 0.480 331 HD21 LEU 49 3HD2 LEU 49 1.255 -2.739 -2.662 332 HD22 LEU 49 1HD2 LEU 49 1.918 -2.597 -1.031 333 HD23 LEU 49 2HD2 LEU 49 2.323 -1.393 -2.251 334 H VAL 50 H VAL 50 -3.722 -2.002 -2.646 335 HA VAL 50 HA VAL 50 -2.832 -1.343 -5.372 336 HB VAL 50 HB VAL 50 -5.657 -1.490 -4.300 337 HG11 VAL 50 1HG1 VAL 50 -6.322 -1.592 -6.648 338 HG12 VAL 50 2HG1 VAL 50 -4.634 -1.415 -7.126 339 HG13 VAL 50 3HG1 VAL 50 -5.448 -0.109 -6.263 340 HG21 VAL 50 3HG2 VAL 50 -5.880 -3.666 -5.421 341 HG22 VAL 50 1HG2 VAL 50 -4.669 -3.711 -4.143 342 HG23 VAL 50 2HG2 VAL 50 -4.167 -3.631 -5.830 343 H VAL 51 H VAL 51 -2.779 0.789 -5.920 344 HA VAL 51 HA VAL 51 -3.481 2.753 -3.890 345 HB VAL 51 HB VAL 51 -2.556 3.248 -6.728 346 HG11 VAL 51 1HG1 VAL 51 -3.450 5.185 -5.564 347 HG12 VAL 51 2HG1 VAL 51 -1.718 5.360 -5.834 348 HG13 VAL 51 3HG1 VAL 51 -2.320 4.926 -4.234 349 HG21 VAL 51 3HG2 VAL 51 -0.935 1.755 -5.670 350 HG22 VAL 51 1HG2 VAL 51 -0.793 2.860 -4.307 351 HG23 VAL 51 2HG2 VAL 51 -0.249 3.361 -5.906 352 H LYS 52 H LYS 52 -5.418 3.497 -3.725 353 HA LYS 52 HA LYS 52 -7.424 2.794 -5.665 354 HB2 LYS 52 2HB LYS 52 -7.764 2.617 -3.217 355 HB3 LYS 52 1HB LYS 52 -7.626 4.361 -3.092 356 HG2 LYS 52 2HG LYS 52 -9.936 3.757 -3.000 357 HG3 LYS 52 1HG LYS 52 -9.631 4.566 -4.537 358 HD2 LYS 52 2HD LYS 52 -9.526 2.426 -5.676 359 HD3 LYS 52 1HD LYS 52 -9.741 1.580 -4.143 360 HE2 LYS 52 2HE LYS 52 -11.940 2.629 -3.890 361 HE3 LYS 52 1HE LYS 52 -11.721 3.444 -5.437 362 HZ1 LYS 52 3HZ LYS 52 -11.591 1.292 -6.506 363 HZ2 LYS 52 1HZ LYS 52 -13.047 1.423 -5.657 364 HZ3 LYS 52 2HZ LYS 52 -11.754 0.519 -5.033 365 H ARG 53 H ARG 53 -5.664 5.579 -4.640 366 HA ARG 53 HA ARG 53 -6.546 7.152 -6.845 367 HB2 ARG 53 2HB ARG 53 -8.452 7.482 -5.306 368 HB3 ARG 53 1HB ARG 53 -7.353 7.934 -4.021 369 HG2 ARG 53 2HG ARG 53 -6.812 9.991 -5.116 370 HG3 ARG 53 1HG ARG 53 -7.669 9.498 -6.579 371 HD2 ARG 53 2HD ARG 53 -8.968 9.848 -3.884 372 HD3 ARG 53 1HD ARG 53 -8.964 11.082 -5.148 373 HE ARG 53 HE ARG 53 -10.029 9.246 -6.539 374 HH11 ARG 53 1HH1 ARG 53 -10.678 9.596 -3.066 375 HH12 ARG 53 2HH1 ARG 53 -12.221 8.896 -3.162 376 HH21 ARG 53 1HH2 ARG 53 -12.190 8.317 -6.643 377 HH22 ARG 53 2HH2 ARG 53 -13.080 8.184 -5.215 378 H GLY 54 H GLY 54 -5.108 8.962 -7.086 379 HA2 GLY 54 2HA GLY 54 -3.434 10.343 -5.845 380 HA3 GLY 54 1HA GLY 54 -2.797 8.794 -5.284 381 HA PRO 55 HA PRO 55 -0.538 10.105 -9.204 382 HB2 PRO 55 2HB PRO 55 1.881 9.111 -8.283 383 HB3 PRO 55 1HB PRO 55 1.356 10.790 -8.099 384 HG2 PRO 55 2HG PRO 55 1.177 8.523 -6.146 385 HG3 PRO 55 1HG PRO 55 1.669 10.197 -5.850 386 HD2 PRO 55 2HD PRO 55 -0.766 9.383 -5.189 387 HD3 PRO 55 1HD PRO 55 -0.536 10.980 -5.932 388 H ASN 56 H ASN 56 0.102 7.192 -7.268 389 HA ASN 56 HA ASN 56 0.441 5.638 -9.715 390 HB2 ASN 56 2HB ASN 56 0.894 4.933 -6.813 391 HB3 ASN 56 1HB ASN 56 0.991 3.736 -8.101 392 HD21 ASN 56 1HD2 ASN 56 2.606 6.341 -6.462 393 HD22 ASN 56 2HD2 ASN 56 4.035 6.266 -7.399 394 H ALA 57 H ALA 57 -2.247 6.651 -8.831 395 HA ALA 57 HA ALA 57 -3.827 4.604 -7.740 396 HB1 ALA 57 1HB ALA 57 -5.731 5.775 -8.659 397 HB2 ALA 57 2HB ALA 57 -4.675 6.687 -9.738 398 HB3 ALA 57 3HB ALA 57 -4.575 6.932 -7.994 399 H GLY 58 H GLY 58 -4.600 2.786 -8.493 400 HA2 GLY 58 2HA GLY 58 -5.561 1.423 -10.185 401 HA3 GLY 58 1HA GLY 58 -4.647 2.322 -11.387 402 H ALA 59 H ALA 59 -2.267 2.163 -9.494 403 HA ALA 59 HA ALA 59 -1.372 -0.384 -10.517 404 HB1 ALA 59 1HB ALA 59 0.068 1.567 -10.848 405 HB2 ALA 59 2HB ALA 59 0.864 0.345 -9.853 406 HB3 ALA 59 3HB ALA 59 0.176 1.786 -9.100 407 H ARG 60 H ARG 60 -0.221 -1.853 -9.159 408 HA ARG 60 HA ARG 60 -0.710 -1.625 -6.327 409 HB2 ARG 60 2HB ARG 60 -1.637 -3.902 -6.112 410 HB3 ARG 60 1HB ARG 60 -2.691 -2.847 -7.026 411 HG2 ARG 60 2HG ARG 60 -0.821 -4.754 -8.396 412 HG3 ARG 60 1HG ARG 60 -2.399 -5.268 -7.811 413 HD2 ARG 60 2HD ARG 60 -3.463 -3.555 -9.193 414 HD3 ARG 60 1HD ARG 60 -1.884 -3.035 -9.771 415 HE ARG 60 HE ARG 60 -1.861 -5.613 -10.399 416 HH11 ARG 60 1HH1 ARG 60 -4.327 -3.147 -10.969 417 HH12 ARG 60 2HH1 ARG 60 -4.911 -3.839 -12.397 418 HH21 ARG 60 1HH2 ARG 60 -2.685 -6.611 -12.375 419 HH22 ARG 60 2HH2 ARG 60 -3.941 -5.848 -13.221 420 H PHE 61 H PHE 61 0.793 -2.604 -5.104 421 HA PHE 61 HA PHE 61 2.952 -3.908 -6.598 422 HB2 PHE 61 2HB PHE 61 3.082 -2.186 -4.109 423 HB3 PHE 61 1HB PHE 61 4.453 -3.055 -4.779 424 HD1 PHE 61 2HD PHE 61 2.088 -0.287 -5.336 425 HD2 PHE 61 1HD PHE 61 5.626 -2.227 -6.675 426 HE1 PHE 61 2HE PHE 61 2.573 1.623 -6.807 427 HE2 PHE 61 1HE PHE 61 6.116 -0.329 -8.140 428 HZ PHE 61 HZ PHE 61 4.589 1.602 -8.215 429 H LEU 62 H LEU 62 3.577 -5.891 -5.897 430 HA LEU 62 HA LEU 62 2.048 -6.959 -3.664 431 HB2 LEU 62 2HB LEU 62 2.630 -9.197 -4.324 432 HB3 LEU 62 1HB LEU 62 2.087 -8.345 -5.741 433 HG LEU 62 HG LEU 62 4.992 -8.927 -5.109 434 HD11 LEU 62 1HD1 LEU 62 4.810 -10.670 -6.820 435 HD12 LEU 62 2HD1 LEU 62 3.075 -10.369 -6.932 436 HD13 LEU 62 3HD1 LEU 62 3.768 -10.991 -5.434 437 HD21 LEU 62 3HD2 LEU 62 5.304 -8.467 -7.538 438 HD22 LEU 62 1HD2 LEU 62 4.783 -7.060 -6.610 439 HD23 LEU 62 2HD2 LEU 62 3.623 -7.933 -7.611 440 H LEU 63 H LEU 63 2.977 -7.923 -1.869 441 HA LEU 63 HA LEU 63 5.641 -6.809 -1.388 442 HB2 LEU 63 2HB LEU 63 3.539 -7.407 0.686 443 HB3 LEU 63 1HB LEU 63 5.095 -6.668 0.951 444 HG LEU 63 HG LEU 63 3.602 -4.926 1.143 445 HD11 LEU 63 1HD1 LEU 63 4.568 -4.782 -1.681 446 HD12 LEU 63 2HD1 LEU 63 5.414 -4.255 -0.225 447 HD13 LEU 63 3HD1 LEU 63 3.944 -3.429 -0.740 448 HD21 LEU 63 3HD2 LEU 63 2.180 -5.838 -1.341 449 HD22 LEU 63 1HD2 LEU 63 1.733 -4.448 -0.357 450 HD23 LEU 63 2HD2 LEU 63 1.612 -6.077 0.311 451 H ASP 64 H ASP 64 7.070 -8.397 -1.593 452 HA ASP 64 HA ASP 64 6.897 -10.411 0.470 453 HB2 ASP 64 2HB ASP 64 6.402 -11.651 -1.645 454 HB3 ASP 64 1HB ASP 64 7.907 -11.045 -2.332 455 H GLN 65 H GLN 65 7.885 -8.433 1.169 456 HA GLN 65 HA GLN 65 10.743 -8.696 1.117 457 HB2 GLN 65 2HB GLN 65 10.999 -6.241 0.786 458 HB3 GLN 65 1HB GLN 65 10.409 -7.046 -0.645 459 HG2 GLN 65 2HG GLN 65 8.074 -6.313 0.195 460 HG3 GLN 65 1HG GLN 65 8.963 -5.229 1.254 461 HE21 GLN 65 1HE2 GLN 65 7.167 -4.527 -0.839 462 HE22 GLN 65 2HE2 GLN 65 7.998 -3.598 -2.012 463 HA PRO 66 HA PRO 66 9.846 -8.147 5.374 464 HB2 PRO 66 2HB PRO 66 12.257 -7.142 6.234 465 HB3 PRO 66 1HB PRO 66 11.912 -8.856 5.963 466 HG2 PRO 66 2HG PRO 66 13.318 -6.902 4.200 467 HG3 PRO 66 1HG PRO 66 13.675 -8.611 4.509 468 HD2 PRO 66 2HD PRO 66 12.434 -7.780 2.262 469 HD3 PRO 66 1HD PRO 66 12.077 -9.349 3.017 470 H THR 67 H THR 67 10.930 -5.400 3.456 471 HA THR 67 HA THR 67 9.371 -3.707 5.223 472 HB THR 67 HB THR 67 12.286 -3.075 4.654 473 HG1 THR 67 1HG THR 67 11.086 -4.445 6.614 474 HG21 THR 67 3HG2 THR 67 11.917 -1.105 6.095 475 HG22 THR 67 1HG2 THR 67 10.209 -1.522 6.225 476 HG23 THR 67 2HG2 THR 67 10.883 -1.049 4.667 477 H THR 68 H THR 68 8.081 -2.525 3.985 478 HA THR 68 HA THR 68 8.994 -1.708 1.314 479 HB THR 68 HB THR 68 6.173 -1.788 2.410 480 HG1 THR 68 1HG THR 68 6.730 -3.868 2.466 481 HG21 THR 68 3HG2 THR 68 6.608 -0.423 0.373 482 HG22 THR 68 1HG2 THR 68 5.535 -1.790 0.055 483 HG23 THR 68 2HG2 THR 68 7.225 -1.880 -0.417 484 H THR 69 H THR 69 9.646 0.465 1.436 485 HA THR 69 HA THR 69 8.480 2.066 3.565 486 HB THR 69 HB THR 69 10.768 2.757 1.686 487 HG1 THR 69 1HG THR 69 10.853 0.900 3.292 488 HG21 THR 69 3HG2 THR 69 11.315 4.443 3.408 489 HG22 THR 69 1HG2 THR 69 9.896 3.952 4.336 490 HG23 THR 69 2HG2 THR 69 9.696 4.710 2.757 491 H ALA 70 H ALA 70 7.182 3.826 3.172 492 HA ALA 70 HA ALA 70 6.533 4.354 0.374 493 HB1 ALA 70 1HB ALA 70 4.734 4.538 2.787 494 HB2 ALA 70 2HB ALA 70 4.702 3.251 1.585 495 HB3 ALA 70 3HB ALA 70 4.280 4.901 1.122 496 H GLY 71 H GLY 71 6.649 6.380 -0.260 497 HA2 GLY 71 2HA GLY 71 6.202 8.708 0.943 498 HA3 GLY 71 1HA GLY 71 7.802 8.297 1.549 499 H ARG 72 H ARG 72 9.414 9.059 0.432 500 HA ARG 72 HA ARG 72 8.970 9.733 -2.364 501 HB2 ARG 72 2HB ARG 72 10.314 11.722 -2.107 502 HB3 ARG 72 1HB ARG 72 8.975 11.758 -0.977 503 HG2 ARG 72 2HG ARG 72 10.561 11.024 0.801 504 HG3 ARG 72 1HG ARG 72 11.868 11.207 -0.375 505 HD2 ARG 72 2HD ARG 72 11.078 13.558 -0.740 506 HD3 ARG 72 1HD ARG 72 9.990 13.333 0.622 507 HE ARG 72 HE ARG 72 12.822 12.850 1.049 508 HH11 ARG 72 1HH1 ARG 72 10.005 14.965 1.656 509 HH12 ARG 72 2HH1 ARG 72 10.868 15.960 2.751 510 HH21 ARG 72 1HH2 ARG 72 13.922 14.247 2.535 511 HH22 ARG 72 2HH2 ARG 72 13.113 15.596 3.210 512 H HIS 73 H HIS 73 10.760 9.666 -3.755 513 HA HIS 73 HA HIS 73 12.795 9.135 -4.540 514 HB2 HIS 73 2HB HIS 73 13.460 7.812 -1.876 515 HB3 HIS 73 1HB HIS 73 14.565 7.942 -3.229 516 HD1 HIS 73 1HD HIS 73 15.461 9.053 -0.590 517 HD2 HIS 73 2HD HIS 73 13.368 11.309 -3.375 518 HE1 HIS 73 1HE HIS 73 15.930 11.477 -0.029 519 HA PRO 74 HA PRO 74 11.760 5.162 -6.190 520 HB2 PRO 74 2HB PRO 74 14.581 4.746 -6.934 521 HB3 PRO 74 1HB PRO 74 13.174 4.925 -7.983 522 HG2 PRO 74 2HG PRO 74 15.020 6.857 -7.801 523 HG3 PRO 74 1HG PRO 74 13.298 7.234 -7.988 524 HD2 PRO 74 2HD PRO 74 14.988 7.277 -5.512 525 HD3 PRO 74 1HD PRO 74 13.785 8.456 -6.087 526 H GLU 75 H GLU 75 13.930 5.589 -3.712 527 HA GLU 75 HA GLU 75 14.744 2.899 -3.192 528 HB2 GLU 75 2HB GLU 75 14.515 5.238 -1.290 529 HB3 GLU 75 1HB GLU 75 15.466 3.781 -1.046 530 HG2 GLU 75 2HG GLU 75 16.911 4.400 -2.896 531 HG3 GLU 75 1HG GLU 75 15.940 5.838 -3.188 532 H SER 76 H SER 76 11.990 4.911 -2.539 533 HA SER 76 HA SER 76 10.785 3.091 -0.681 534 HB2 SER 76 2HB SER 76 9.699 5.548 -2.111 535 HB3 SER 76 1HB SER 76 8.916 4.709 -0.770 536 HG SER 76 HG SER 76 10.899 6.587 -0.685 537 H ASP 77 H ASP 77 9.666 1.379 -1.340 538 HA ASP 77 HA ASP 77 9.566 0.644 -4.078 539 HB2 ASP 77 2HB ASP 77 9.748 -0.970 -2.171 540 HB3 ASP 77 1HB ASP 77 8.063 -0.643 -1.796 541 H ILE 78 H ILE 78 7.183 2.035 -1.927 542 HA ILE 78 HA ILE 78 5.585 2.469 -4.287 543 HB ILE 78 HB ILE 78 4.194 1.099 -3.015 544 HG12 ILE 78 2HG1 ILE 78 2.394 2.502 -2.060 545 HG13 ILE 78 1HG1 ILE 78 3.422 3.913 -2.251 546 HG21 ILE 78 1HG2 ILE 78 4.929 2.540 -0.500 547 HG22 ILE 78 2HG2 ILE 78 5.455 0.933 -1.023 548 HG23 ILE 78 3HG2 ILE 78 3.756 1.221 -0.665 549 HD11 ILE 78 3HD1 ILE 78 1.814 3.754 -4.070 550 HD12 ILE 78 1HD1 ILE 78 2.416 2.149 -4.487 551 HD13 ILE 78 2HD1 ILE 78 3.458 3.561 -4.676 552 H PHE 79 H PHE 79 5.703 4.398 -4.951 553 HA PHE 79 HA PHE 79 6.749 6.500 -3.261 554 HB2 PHE 79 2HB PHE 79 7.715 6.184 -5.483 555 HB3 PHE 79 1HB PHE 79 6.135 6.404 -6.220 556 HD1 PHE 79 2HD PHE 79 8.807 8.106 -4.335 557 HD2 PHE 79 1HD PHE 79 5.313 8.558 -6.713 558 HE1 PHE 79 2HE PHE 79 9.242 10.514 -4.531 559 HE2 PHE 79 1HE PHE 79 5.751 10.963 -6.908 560 HZ PHE 79 HZ PHE 79 7.713 11.941 -5.821 561 H LEU 80 H LEU 80 5.657 8.294 -2.663 562 HA LEU 80 HA LEU 80 2.817 8.433 -3.402 563 HB2 LEU 80 2HB LEU 80 4.065 9.125 -0.740 564 HB3 LEU 80 1HB LEU 80 2.370 9.246 -1.152 565 HG LEU 80 HG LEU 80 3.936 6.674 -0.931 566 HD11 LEU 80 1HD1 LEU 80 3.624 7.745 1.224 567 HD12 LEU 80 2HD1 LEU 80 2.584 6.324 1.088 568 HD13 LEU 80 3HD1 LEU 80 1.903 7.935 0.895 569 HD21 LEU 80 3HD2 LEU 80 0.988 7.164 -1.333 570 HD22 LEU 80 1HD2 LEU 80 1.736 5.588 -1.084 571 HD23 LEU 80 2HD2 LEU 80 2.095 6.511 -2.543 572 H ASP 81 H ASP 81 2.120 10.406 -3.945 573 HA ASP 81 HA ASP 81 3.821 12.730 -3.487 574 HB2 ASP 81 2HB ASP 81 4.118 12.170 -5.857 575 HB3 ASP 81 1HB ASP 81 2.376 12.066 -6.076 576 H ASP 82 H ASP 82 2.735 14.299 -2.560 577 HA ASP 82 HA ASP 82 -0.103 14.627 -2.950 578 HB2 ASP 82 2HB ASP 82 0.222 12.986 -0.984 579 HB3 ASP 82 1HB ASP 82 1.031 14.297 -0.139 580 H VAL 83 H VAL 83 -0.269 16.553 -0.770 581 HA VAL 83 HA VAL 83 0.818 18.809 -2.080 582 HB VAL 83 HB VAL 83 -0.156 18.604 0.792 583 HG11 VAL 83 1HG1 VAL 83 1.059 20.669 0.368 584 HG12 VAL 83 2HG1 VAL 83 -0.659 20.997 0.575 585 HG13 VAL 83 3HG1 VAL 83 0.049 20.991 -1.039 586 HG21 VAL 83 3HG2 VAL 83 -1.699 19.235 -1.720 587 HG22 VAL 83 1HG2 VAL 83 -2.335 19.338 -0.079 588 HG23 VAL 83 2HG2 VAL 83 -1.850 17.776 -0.742 589 H THR 84 H THR 84 1.870 16.859 0.622 590 HA THR 84 HA THR 84 4.565 17.843 0.311 591 HB THR 84 HB THR 84 3.183 17.863 3.024 592 HG1 THR 84 1HG THR 84 3.396 19.716 1.054 593 HG21 THR 84 3HG2 THR 84 5.264 18.929 3.803 594 HG22 THR 84 1HG2 THR 84 5.953 18.777 2.186 595 HG23 THR 84 2HG2 THR 84 5.591 17.332 3.128 596 H VAL 85 H VAL 85 5.829 16.072 0.316 597 HA VAL 85 HA VAL 85 4.756 13.619 1.493 598 HB VAL 85 HB VAL 85 7.017 13.912 -0.502 599 HG11 VAL 85 1HG1 VAL 85 6.688 11.504 -0.870 600 HG12 VAL 85 2HG1 VAL 85 5.459 11.488 0.393 601 HG13 VAL 85 3HG1 VAL 85 7.134 11.862 0.798 602 HG21 VAL 85 3HG2 VAL 85 4.124 13.206 -0.989 603 HG22 VAL 85 1HG2 VAL 85 5.410 13.141 -2.191 604 HG23 VAL 85 2HG2 VAL 85 4.934 14.688 -1.491 605 H SER 86 H SER 86 5.836 12.611 3.116 606 HA SER 86 HA SER 86 7.897 14.067 4.472 607 HB2 SER 86 2HB SER 86 6.055 12.880 5.676 608 HB3 SER 86 1HB SER 86 6.680 11.350 5.077 609 HG SER 86 HG SER 86 7.571 11.533 7.032 610 H ARG 87 H ARG 87 9.923 13.066 5.098 611 HA ARG 87 HA ARG 87 11.458 12.047 2.982 612 HB2 ARG 87 2HB ARG 87 13.166 11.509 4.851 613 HB3 ARG 87 1HB ARG 87 12.673 13.183 4.658 614 HG2 ARG 87 2HG ARG 87 11.062 12.865 6.550 615 HG3 ARG 87 1HG ARG 87 11.703 11.241 6.746 616 HD2 ARG 87 2HD ARG 87 13.837 12.059 7.386 617 HD3 ARG 87 1HD ARG 87 13.440 13.695 6.869 618 HE ARG 87 HE ARG 87 11.629 13.393 8.725 619 HH11 ARG 87 1HH1 ARG 87 15.016 12.355 8.921 620 HH12 ARG 87 2HH1 ARG 87 15.141 12.656 10.595 621 HH21 ARG 87 1HH2 ARG 87 11.858 13.797 11.046 622 HH22 ARG 87 2HH2 ARG 87 13.353 13.463 11.809 623 H ARG 88 H ARG 88 10.132 10.406 5.757 624 HA ARG 88 HA ARG 88 9.643 8.056 4.204 625 HB2 ARG 88 2HB ARG 88 11.217 8.003 6.835 626 HB3 ARG 88 1HB ARG 88 10.395 6.592 6.189 627 HG2 ARG 88 2HG ARG 88 11.837 6.664 4.202 628 HG3 ARG 88 1HG ARG 88 12.654 8.081 4.852 629 HD2 ARG 88 2HD ARG 88 13.970 6.052 5.217 630 HD3 ARG 88 1HD ARG 88 13.466 6.752 6.747 631 HE ARG 88 HE ARG 88 11.691 4.997 6.768 632 HH11 ARG 88 1HH1 ARG 88 14.759 4.389 5.026 633 HH12 ARG 88 2HH1 ARG 88 14.623 2.715 5.137 634 HH21 ARG 88 1HH2 ARG 88 11.618 2.612 6.984 635 HH22 ARG 88 2HH2 ARG 88 12.847 1.701 6.259 636 H HIS 89 H HIS 89 7.533 7.953 4.415 637 HA HIS 89 HA HIS 89 6.326 9.437 6.614 638 HB2 HIS 89 2HB HIS 89 5.677 9.700 4.157 639 HB3 HIS 89 1HB HIS 89 4.956 8.107 4.277 640 HD2 HIS 89 2HD HIS 89 2.986 8.138 6.607 641 HE1 HIS 89 1HE HIS 89 1.815 11.995 5.338 642 HE2 HIS 89 2HE HIS 89 1.062 9.780 6.384 643 H ALA 90 H ALA 90 6.071 6.242 5.073 644 HA ALA 90 HA ALA 90 5.462 5.085 7.651 645 HB1 ALA 90 1HB ALA 90 3.445 3.964 6.807 646 HB2 ALA 90 2HB ALA 90 3.574 4.870 5.299 647 HB3 ALA 90 3HB ALA 90 3.256 5.718 6.812 648 H GLU 91 H GLU 91 5.721 2.815 7.588 649 HA GLU 91 HA GLU 91 6.687 1.753 5.084 650 HB2 GLU 91 2HB GLU 91 8.491 0.493 6.316 651 HB3 GLU 91 1HB GLU 91 8.749 2.223 6.204 652 HG2 GLU 91 2HG GLU 91 7.928 2.471 8.498 653 HG3 GLU 91 1HG GLU 91 7.729 0.724 8.594 654 H PHE 92 H PHE 92 6.037 -0.183 4.637 655 HA PHE 92 HA PHE 92 4.197 -1.448 6.542 656 HB2 PHE 92 2HB PHE 92 4.432 -2.103 3.599 657 HB3 PHE 92 1HB PHE 92 3.071 -2.366 4.682 658 HD1 PHE 92 1HD PHE 92 2.182 -0.061 5.754 659 HD2 PHE 92 2HD PHE 92 4.173 -0.443 2.030 660 HE1 PHE 92 1HE PHE 92 1.184 2.065 5.011 661 HE2 PHE 92 2HE PHE 92 3.176 1.677 1.275 662 HZ PHE 92 HZ PHE 92 1.683 2.932 2.769 663 H ARG 93 H ARG 93 5.131 -3.064 7.520 664 HA ARG 93 HA ARG 93 7.476 -4.230 6.246 665 HB2 ARG 93 2HB ARG 93 6.776 -4.085 9.169 666 HB3 ARG 93 1HB ARG 93 8.249 -4.749 8.477 667 HG2 ARG 93 2HG ARG 93 8.846 -2.548 7.623 668 HG3 ARG 93 1HG ARG 93 7.367 -1.879 8.314 669 HD2 ARG 93 2HD ARG 93 9.225 -1.408 9.771 670 HD3 ARG 93 1HD ARG 93 8.150 -2.567 10.547 671 HE ARG 93 HE ARG 93 9.740 -4.309 9.864 672 HH11 ARG 93 1HH1 ARG 93 10.941 -0.951 9.889 673 HH12 ARG 93 2HH1 ARG 93 12.524 -1.383 10.335 674 HH21 ARG 93 1HH2 ARG 93 11.912 -4.895 10.433 675 HH22 ARG 93 2HH2 ARG 93 13.097 -3.689 10.676 676 H ILE 94 H ILE 94 7.532 -6.298 5.912 677 HA ILE 94 HA ILE 94 5.318 -7.888 6.944 678 HB ILE 94 HB ILE 94 7.326 -8.479 4.698 679 HG12 ILE 94 2HG1 ILE 94 5.305 -8.633 3.212 680 HG13 ILE 94 1HG1 ILE 94 4.322 -8.082 4.552 681 HG21 ILE 94 1HG2 ILE 94 5.119 -10.243 5.747 682 HG22 ILE 94 2HG2 ILE 94 6.854 -10.518 5.911 683 HG23 ILE 94 3HG2 ILE 94 6.097 -10.574 4.319 684 HD11 ILE 94 3HD1 ILE 94 5.551 -5.933 4.507 685 HD12 ILE 94 1HD1 ILE 94 4.721 -6.283 2.989 686 HD13 ILE 94 2HD1 ILE 94 6.464 -6.518 3.116 687 H ASN 95 H ASN 95 5.909 -8.800 8.738 688 HA ASN 95 HA ASN 95 8.758 -9.346 9.187 689 HB2 ASN 95 2HB ASN 95 8.119 -7.257 10.260 690 HB3 ASN 95 1HB ASN 95 6.751 -8.051 11.025 691 HD21 ASN 95 1HD2 ASN 95 7.472 -7.431 13.029 692 HD22 ASN 95 2HD2 ASN 95 8.823 -8.187 13.801 693 H GLU 96 H GLU 96 8.919 -11.395 9.434 694 HA GLU 96 HA GLU 96 8.586 -13.575 9.947 695 HB2 GLU 96 2HB GLU 96 7.203 -12.428 12.373 696 HB3 GLU 96 1HB GLU 96 7.968 -14.006 12.231 697 HG2 GLU 96 2HG GLU 96 9.397 -11.361 12.057 698 HG3 GLU 96 1HG GLU 96 9.344 -12.400 13.473 699 H GLY 97 H GLY 97 6.602 -12.510 8.234 700 HA2 GLY 97 2HA GLY 97 4.766 -13.532 7.182 701 HA3 GLY 97 1HA GLY 97 4.518 -14.502 8.623 702 H GLU 98 H GLU 98 4.770 -11.452 9.799 703 HA GLU 98 HA GLU 98 1.880 -11.051 9.739 704 HB2 GLU 98 2HB GLU 98 4.003 -9.752 11.450 705 HB3 GLU 98 1HB GLU 98 2.264 -9.634 11.661 706 HG2 GLU 98 2HG GLU 98 2.154 -11.997 12.187 707 HG3 GLU 98 1HG GLU 98 3.883 -12.142 11.928 708 H PHE 99 H PHE 99 1.083 -9.063 9.047 709 HA PHE 99 HA PHE 99 3.002 -7.395 7.587 710 HB2 PHE 99 2HB PHE 99 -0.030 -7.511 7.388 711 HB3 PHE 99 1HB PHE 99 1.011 -6.483 6.422 712 HD1 PHE 99 1HD PHE 99 2.442 -7.484 4.694 713 HD2 PHE 99 2HD PHE 99 -0.379 -9.784 6.871 714 HE1 PHE 99 1HE PHE 99 2.582 -9.255 2.987 715 HE2 PHE 99 2HE PHE 99 -0.250 -11.561 5.179 716 HZ PHE 99 HZ PHE 99 1.231 -11.299 3.232 717 H GLU 100 H GLU 100 3.541 -5.571 8.644 718 HA GLU 100 HA GLU 100 1.549 -4.425 10.419 719 HB2 GLU 100 2HB GLU 100 3.370 -3.870 12.055 720 HB3 GLU 100 1HB GLU 100 2.985 -5.576 11.929 721 HG2 GLU 100 2HG GLU 100 4.973 -5.936 10.557 722 HG3 GLU 100 1HG GLU 100 5.332 -4.210 10.640 723 H VAL 101 H VAL 101 1.268 -2.361 10.267 724 HA VAL 101 HA VAL 101 3.015 -0.873 8.426 725 HB VAL 101 HB VAL 101 0.270 -0.157 9.471 726 HG11 VAL 101 1HG1 VAL 101 0.258 1.516 7.643 727 HG12 VAL 101 2HG1 VAL 101 1.959 1.136 7.331 728 HG13 VAL 101 3HG1 VAL 101 1.475 1.810 8.880 729 HG21 VAL 101 3HG2 VAL 101 0.090 -2.108 8.075 730 HG22 VAL 101 1HG2 VAL 101 1.036 -1.338 6.806 731 HG23 VAL 101 2HG2 VAL 101 -0.558 -0.709 7.221 732 H VAL 102 H VAL 102 4.389 0.455 9.389 733 HA VAL 102 HA VAL 102 3.490 1.652 11.849 734 HB VAL 102 HB VAL 102 5.881 1.872 12.571 735 HG11 VAL 102 1HG1 VAL 102 6.088 -0.457 13.343 736 HG12 VAL 102 2HG1 VAL 102 4.826 -0.927 12.207 737 HG13 VAL 102 3HG1 VAL 102 4.452 0.171 13.536 738 HG21 VAL 102 3HG2 VAL 102 6.986 1.547 10.438 739 HG22 VAL 102 1HG2 VAL 102 6.373 -0.105 10.350 740 HG23 VAL 102 2HG2 VAL 102 7.534 0.337 11.600 741 H ASP 103 H ASP 103 3.506 3.709 12.000 742 HA ASP 103 HA ASP 103 4.179 5.321 9.689 743 HB2 ASP 103 2HB ASP 103 2.182 5.842 11.089 744 HB3 ASP 103 1HB ASP 103 3.233 6.112 12.469 745 H VAL 104 H VAL 104 6.002 6.557 9.497 746 HA VAL 104 HA VAL 104 7.824 6.593 11.784 747 HB VAL 104 HB VAL 104 9.760 6.223 10.237 748 HG11 VAL 104 1HG1 VAL 104 9.432 3.786 10.033 749 HG12 VAL 104 2HG1 VAL 104 7.718 4.011 10.380 750 HG13 VAL 104 3HG1 VAL 104 8.924 4.409 11.602 751 HG21 VAL 104 3HG2 VAL 104 8.694 6.833 8.126 752 HG22 VAL 104 1HG2 VAL 104 7.609 5.448 8.261 753 HG23 VAL 104 2HG2 VAL 104 9.341 5.194 8.042 754 H GLY 105 H GLY 105 5.999 8.467 10.210 755 HA2 GLY 105 2HA GLY 105 7.559 10.776 10.570 756 HA3 GLY 105 1HA GLY 105 7.444 10.379 8.857 757 H SER 106 H SER 106 5.505 10.809 11.751 758 HA SER 106 HA SER 106 3.063 11.013 10.436 759 HB2 SER 106 2HB SER 106 3.826 12.034 13.168 760 HB3 SER 106 1HB SER 106 2.177 11.950 12.555 761 HG SER 106 HG SER 106 3.470 9.572 12.230 762 H LEU 107 H LEU 107 3.806 12.373 8.742 763 HA LEU 107 HA LEU 107 3.633 15.231 9.106 764 HB2 LEU 107 2HB LEU 107 4.953 14.356 7.298 765 HB3 LEU 107 1HB LEU 107 3.634 13.358 6.743 766 HG LEU 107 HG LEU 107 2.446 15.335 5.953 767 HD11 LEU 107 1HD1 LEU 107 4.867 16.862 6.879 768 HD12 LEU 107 2HD1 LEU 107 3.241 16.968 7.565 769 HD13 LEU 107 3HD1 LEU 107 3.543 17.507 5.912 770 HD21 LEU 107 3HD2 LEU 107 3.958 15.904 4.143 771 HD22 LEU 107 1HD2 LEU 107 3.961 14.175 4.476 772 HD23 LEU 107 2HD2 LEU 107 5.298 15.181 5.034 773 H ASN 108 H ASN 108 1.748 12.626 7.768 774 HA ASN 108 HA ASN 108 -0.720 14.204 7.955 775 HB2 ASN 108 2HB ASN 108 -0.241 13.211 5.777 776 HB3 ASN 108 1HB ASN 108 -0.014 11.640 6.518 777 HD21 ASN 108 1HD2 ASN 108 -2.674 13.921 7.139 778 HD22 ASN 108 2HD2 ASN 108 -3.876 12.864 6.498 779 H GLY 109 H GLY 109 1.118 11.664 9.365 780 HA2 GLY 109 2HA GLY 109 0.707 10.162 11.056 781 HA3 GLY 109 1HA GLY 109 -0.821 10.999 11.352 782 H THR 110 H THR 110 0.656 8.285 9.953 783 HA THR 110 HA THR 110 -0.993 7.812 7.766 784 HB THR 110 HB THR 110 0.543 5.837 9.456 785 HG1 THR 110 1HG THR 110 1.937 7.402 8.785 786 HG21 THR 110 3HG2 THR 110 0.693 4.529 7.371 787 HG22 THR 110 1HG2 THR 110 -0.316 5.722 6.550 788 HG23 THR 110 2HG2 THR 110 -0.988 4.746 7.855 789 H TYR 111 H TYR 111 -2.932 6.877 7.471 790 HA TYR 111 HA TYR 111 -4.455 6.085 9.834 791 HB2 TYR 111 2HB TYR 111 -5.313 6.878 7.042 792 HB3 TYR 111 1HB TYR 111 -6.425 6.429 8.330 793 HD1 TYR 111 1HD TYR 111 -3.994 8.988 7.219 794 HD2 TYR 111 2HD TYR 111 -7.034 8.001 10.009 795 HE1 TYR 111 1HE TYR 111 -4.024 11.318 8.003 796 HE2 TYR 111 2HE TYR 111 -7.071 10.328 10.793 797 HH TYR 111 HH TYR 111 -5.471 12.861 9.172 798 H VAL 112 H VAL 112 -5.006 4.043 10.071 799 HA VAL 112 HA VAL 112 -4.797 2.145 7.834 800 HB VAL 112 HB VAL 112 -3.736 1.615 10.651 801 HG11 VAL 112 1HG1 VAL 112 -3.540 -0.051 8.153 802 HG12 VAL 112 2HG1 VAL 112 -4.549 -0.388 9.557 803 HG13 VAL 112 3HG1 VAL 112 -2.792 -0.436 9.702 804 HG21 VAL 112 3HG2 VAL 112 -2.149 2.096 8.130 805 HG22 VAL 112 1HG2 VAL 112 -1.481 1.608 9.686 806 HG23 VAL 112 2HG2 VAL 112 -2.257 3.183 9.514 807 H ASN 113 H ASN 113 -6.427 0.508 7.957 808 HA ASN 113 HA ASN 113 -8.578 -0.135 8.305 809 HB2 ASN 113 2HB ASN 113 -7.647 0.232 11.159 810 HB3 ASN 113 1HB ASN 113 -9.303 -0.224 10.818 811 HD21 ASN 113 1HD2 ASN 113 -8.706 -1.985 8.610 812 HD22 ASN 113 2HD2 ASN 113 -7.861 -3.322 9.281 813 H ARG 114 H ARG 114 -8.124 2.491 7.651 814 HA ARG 114 HA ARG 114 -9.244 4.474 7.322 815 HB2 ARG 114 2HB ARG 114 -11.557 3.008 8.598 816 HB3 ARG 114 1HB ARG 114 -11.673 4.471 7.639 817 HG2 ARG 114 2HG ARG 114 -10.977 3.260 5.657 818 HG3 ARG 114 1HG ARG 114 -10.715 1.800 6.619 819 HD2 ARG 114 2HD ARG 114 -13.088 1.861 7.279 820 HD3 ARG 114 1HD ARG 114 -13.326 3.237 6.210 821 HE ARG 114 HE ARG 114 -12.385 1.443 4.474 822 HH11 ARG 114 1HH1 ARG 114 -14.629 0.866 7.114 823 HH12 ARG 114 2HH1 ARG 114 -15.598 -0.222 6.250 824 HH21 ARG 114 1HH2 ARG 114 -13.660 -0.026 3.293 825 HH22 ARG 114 2HH2 ARG 114 -15.072 -0.717 3.988 826 H GLU 115 H GLU 115 -7.869 3.972 9.990 827 HA GLU 115 HA GLU 115 -9.123 6.186 11.458 828 HB2 GLU 115 2HB GLU 115 -8.184 3.559 12.605 829 HB3 GLU 115 1HB GLU 115 -8.512 4.984 13.570 830 HG2 GLU 115 2HG GLU 115 -10.841 4.912 12.911 831 HG3 GLU 115 1HG GLU 115 -10.506 3.532 11.861 832 HA PRO 116 HA PRO 116 -4.889 7.717 11.803 833 HB2 PRO 116 2HB PRO 116 -5.473 8.359 14.627 834 HB3 PRO 116 1HB PRO 116 -4.996 9.441 13.320 835 HG2 PRO 116 2HG PRO 116 -7.505 9.363 14.361 836 HG3 PRO 116 1HG PRO 116 -7.163 9.844 12.700 837 HD2 PRO 116 2HD PRO 116 -8.371 7.352 13.733 838 HD3 PRO 116 1HD PRO 116 -8.531 8.117 12.147 839 H ARG 117 H ARG 117 -3.044 6.563 12.275 840 HA ARG 117 HA ARG 117 -3.116 4.691 14.523 841 HB2 ARG 117 2HB ARG 117 -3.880 3.755 12.239 842 HB3 ARG 117 1HB ARG 117 -2.204 3.938 11.762 843 HG2 ARG 117 2HG ARG 117 -2.469 1.713 12.393 844 HG3 ARG 117 1HG ARG 117 -1.623 2.479 13.741 845 HD2 ARG 117 2HD ARG 117 -3.401 1.036 14.585 846 HD3 ARG 117 1HD ARG 117 -3.767 2.727 14.925 847 HE ARG 117 HE ARG 117 -4.909 1.939 12.467 848 HH11 ARG 117 1HH1 ARG 117 -5.400 1.595 15.958 849 HH12 ARG 117 2HH1 ARG 117 -7.078 1.366 15.828 850 HH21 ARG 117 1HH2 ARG 117 -7.203 1.629 12.296 851 HH22 ARG 117 2HH2 ARG 117 -8.130 1.344 13.700 852 H ASN 118 H ASN 118 -0.921 3.892 14.945 853 HA ASN 118 HA ASN 118 1.246 5.450 13.730 854 HB2 ASN 118 2HB ASN 118 0.935 4.701 16.645 855 HB3 ASN 118 1HB ASN 118 2.474 5.199 15.953 856 HD21 ASN 118 1HD2 ASN 118 2.765 7.351 15.369 857 HD22 ASN 118 2HD2 ASN 118 1.681 8.590 15.874 858 H ALA 119 H ALA 119 0.304 2.439 15.340 859 HA ALA 119 HA ALA 119 2.025 1.025 13.483 860 HB1 ALA 119 1HB ALA 119 2.856 -0.432 15.301 861 HB2 ALA 119 2HB ALA 119 2.052 0.600 16.485 862 HB3 ALA 119 3HB ALA 119 3.384 1.237 15.520 863 H GLN 120 H GLN 120 0.980 -0.765 12.772 864 HA GLN 120 HA GLN 120 -1.220 -1.889 14.333 865 HB2 GLN 120 2HB GLN 120 -2.323 -0.125 13.140 866 HB3 GLN 120 1HB GLN 120 -1.642 -0.658 11.607 867 HG2 GLN 120 2HG GLN 120 -3.940 -1.325 11.709 868 HG3 GLN 120 1HG GLN 120 -2.947 -2.771 11.862 869 HE21 GLN 120 1HE2 GLN 120 -4.454 -3.958 12.892 870 HE22 GLN 120 2HE2 GLN 120 -5.018 -3.651 14.499 871 H VAL 121 H VAL 121 -1.243 -4.053 14.071 872 HA VAL 121 HA VAL 121 0.102 -5.271 11.816 873 HB VAL 121 HB VAL 121 -1.736 -6.613 13.849 874 HG11 VAL 121 1HG1 VAL 121 0.362 -7.755 12.005 875 HG12 VAL 121 2HG1 VAL 121 -1.385 -7.924 11.839 876 HG13 VAL 121 3HG1 VAL 121 -0.551 -8.674 13.201 877 HG21 VAL 121 3HG2 VAL 121 0.290 -7.296 15.063 878 HG22 VAL 121 1HG2 VAL 121 0.128 -5.540 15.019 879 HG23 VAL 121 2HG2 VAL 121 1.270 -6.347 13.947 880 H MET 122 H MET 122 -0.883 -5.454 9.938 881 HA MET 122 HA MET 122 -3.622 -4.495 9.842 882 HB2 MET 122 2HB MET 122 -3.251 -3.884 7.590 883 HB3 MET 122 1HB MET 122 -1.848 -3.375 8.515 884 HG2 MET 122 2HG MET 122 -0.672 -5.409 7.720 885 HG3 MET 122 1HG MET 122 -2.056 -5.751 6.685 886 HE1 MET 122 3HE MET 122 -2.645 -2.416 6.172 887 HE2 MET 122 1HE MET 122 -3.012 -3.744 5.063 888 HE3 MET 122 2HE MET 122 -2.020 -2.402 4.519 889 H GLN 123 H GLN 123 -5.174 -5.354 8.578 890 HA GLN 123 HA GLN 123 -5.059 -8.275 8.272 891 HB2 GLN 123 2HB GLN 123 -7.459 -6.475 8.643 892 HB3 GLN 123 1HB GLN 123 -7.483 -8.231 8.553 893 HG2 GLN 123 2HG GLN 123 -6.192 -8.338 10.639 894 HG3 GLN 123 1HG GLN 123 -6.218 -6.576 10.727 895 HE21 GLN 123 1HE2 GLN 123 -7.344 -6.521 12.633 896 HE22 GLN 123 2HE2 GLN 123 -9.006 -6.974 12.754 897 H THR 124 H THR 124 -6.311 -9.113 6.377 898 HA THR 124 HA THR 124 -5.690 -7.515 4.095 899 HB THR 124 HB THR 124 -5.459 -9.965 3.959 900 HG1 THR 124 1HG THR 124 -7.458 -9.715 2.103 901 HG21 THR 124 3HG2 THR 124 -8.478 -10.068 4.180 902 HG22 THR 124 1HG2 THR 124 -7.332 -10.675 5.373 903 HG23 THR 124 2HG2 THR 124 -7.441 -11.439 3.785 904 H GLY 125 H GLY 125 -7.025 -6.222 2.856 905 HA2 GLY 125 2HA GLY 125 -9.136 -5.340 2.233 906 HA3 GLY 125 1HA GLY 125 -9.836 -6.054 3.683 907 H ASP 126 H ASP 126 -6.972 -4.838 4.594 908 HA ASP 126 HA ASP 126 -8.025 -2.648 6.083 909 HB2 ASP 126 2HB ASP 126 -5.943 -4.138 6.536 910 HB3 ASP 126 1HB ASP 126 -5.119 -3.052 5.430 911 H GLU 127 H GLU 127 -7.714 -0.461 5.715 912 HA GLU 127 HA GLU 127 -6.708 0.277 3.079 913 HB2 GLU 127 2HB GLU 127 -9.155 1.333 4.472 914 HB3 GLU 127 1HB GLU 127 -8.393 2.128 3.105 915 HG2 GLU 127 2HG GLU 127 -8.776 0.116 1.747 916 HG3 GLU 127 1HG GLU 127 -9.543 -0.662 3.126 917 H ILE 128 H ILE 128 -5.219 1.714 3.095 918 HA ILE 128 HA ILE 128 -4.542 3.072 5.611 919 HB ILE 128 HB ILE 128 -2.781 2.328 3.257 920 HG12 ILE 128 2HG1 ILE 128 -2.890 1.124 6.028 921 HG13 ILE 128 1HG1 ILE 128 -3.568 0.383 4.582 922 HG21 ILE 128 1HG2 ILE 128 -2.052 3.501 5.943 923 HG22 ILE 128 2HG2 ILE 128 -1.998 4.340 4.396 924 HG23 ILE 128 3HG2 ILE 128 -0.908 2.985 4.703 925 HD11 ILE 128 3HD1 ILE 128 -0.667 1.014 5.040 926 HD12 ILE 128 1HD1 ILE 128 -1.345 0.232 3.612 927 HD13 ILE 128 2HD1 ILE 128 -1.411 -0.574 5.183 928 H GLN 129 H GLN 129 -4.949 5.196 5.526 929 HA GLN 129 HA GLN 129 -5.165 6.443 2.875 930 HB2 GLN 129 2HB GLN 129 -7.217 6.351 4.364 931 HB3 GLN 129 1HB GLN 129 -6.394 7.457 5.448 932 HG2 GLN 129 2HG GLN 129 -6.313 9.136 3.686 933 HG3 GLN 129 1HG GLN 129 -7.093 8.020 2.581 934 HE21 GLN 129 1HE2 GLN 129 -8.891 9.318 2.247 935 HE22 GLN 129 2HE2 GLN 129 -10.070 9.582 3.483 936 H ILE 130 H ILE 130 -3.715 7.900 2.317 937 HA ILE 130 HA ILE 130 -2.165 9.304 4.357 938 HB ILE 130 HB ILE 130 -0.965 7.885 1.943 939 HG12 ILE 130 2HG1 ILE 130 -0.500 7.416 4.902 940 HG13 ILE 130 1HG1 ILE 130 -1.493 6.397 3.865 941 HG21 ILE 130 1HG2 ILE 130 0.141 10.021 2.308 942 HG22 ILE 130 2HG2 ILE 130 1.215 8.700 2.778 943 HG23 ILE 130 3HG2 ILE 130 0.371 9.633 4.012 944 HD11 ILE 130 3HD1 ILE 130 1.478 6.843 3.608 945 HD12 ILE 130 1HD1 ILE 130 0.497 5.822 2.560 946 HD13 ILE 130 2HD1 ILE 130 0.694 5.407 4.262 947 H GLY 131 H GLY 131 -2.089 11.396 3.947 948 HA2 GLY 131 2HA GLY 131 -1.831 13.382 2.742 949 HA3 GLY 131 1HA GLY 131 -1.968 12.461 1.241 950 H LYS 132 H LYS 132 -3.913 11.998 0.451 951 HA LYS 132 HA LYS 132 -6.322 12.454 1.943 952 HB2 LYS 132 2HB LYS 132 -7.385 13.922 0.263 953 HB3 LYS 132 1HB LYS 132 -6.029 14.702 1.055 954 HG2 LYS 132 2HG LYS 132 -4.638 14.276 -0.899 955 HG3 LYS 132 1HG LYS 132 -5.980 13.454 -1.684 956 HD2 LYS 132 2HD LYS 132 -6.139 16.326 -0.774 957 HD3 LYS 132 1HD LYS 132 -5.535 15.881 -2.361 958 HE2 LYS 132 2HE LYS 132 -7.824 16.494 -2.619 959 HE3 LYS 132 1HE LYS 132 -7.743 14.752 -2.794 960 HZ1 LYS 132 3HZ LYS 132 -9.642 15.557 -1.479 961 HZ2 LYS 132 1HZ LYS 132 -8.634 16.173 -0.321 962 HZ3 LYS 132 2HZ LYS 132 -8.730 14.508 -0.576 963 H PHE 133 H PHE 133 -4.672 10.380 0.395 964 HA PHE 133 HA PHE 133 -6.926 9.290 -1.059 965 HB2 PHE 133 2HB PHE 133 -5.350 8.413 -2.766 966 HB3 PHE 133 1HB PHE 133 -5.465 10.163 -2.781 967 HD1 PHE 133 1HD PHE 133 -3.321 7.278 -2.021 968 HD2 PHE 133 2HD PHE 133 -3.541 11.521 -2.250 969 HE1 PHE 133 1HE PHE 133 -0.884 7.392 -1.965 970 HE2 PHE 133 2HE PHE 133 -1.082 11.651 -2.187 971 HZ PHE 133 HZ PHE 133 0.257 9.579 -2.055 972 H ARG 134 H ARG 134 -6.387 6.777 -1.459 973 HA ARG 134 HA ARG 134 -4.882 5.897 0.811 974 HB2 ARG 134 2HB ARG 134 -6.569 4.451 1.718 975 HB3 ARG 134 1HB ARG 134 -7.069 6.125 1.748 976 HG2 ARG 134 2HG ARG 134 -8.501 5.684 -0.208 977 HG3 ARG 134 1HG ARG 134 -8.042 3.972 -0.103 978 HD2 ARG 134 2HD ARG 134 -8.812 3.929 2.219 979 HD3 ARG 134 1HD ARG 134 -9.325 5.599 2.075 980 HE ARG 134 HE ARG 134 -10.500 3.302 0.699 981 HH11 ARG 134 1HH1 ARG 134 -10.708 6.710 1.655 982 HH12 ARG 134 2HH1 ARG 134 -12.397 6.789 1.619 983 HH21 ARG 134 1HH2 ARG 134 -12.823 3.403 0.584 984 HH22 ARG 134 2HH2 ARG 134 -13.621 4.857 1.006 985 H LEU 135 H LEU 135 -4.267 3.875 0.954 986 HA LEU 135 HA LEU 135 -4.026 2.394 -1.561 987 HB2 LEU 135 2HB LEU 135 -2.532 2.094 1.057 988 HB3 LEU 135 1HB LEU 135 -2.111 1.381 -0.489 989 HG LEU 135 HG LEU 135 -2.108 4.329 0.039 990 HD11 LEU 135 1HD1 LEU 135 -0.445 3.221 1.466 991 HD12 LEU 135 2HD1 LEU 135 0.331 4.169 0.202 992 HD13 LEU 135 3HD1 LEU 135 0.239 2.416 0.052 993 HD21 LEU 135 3HD2 LEU 135 -2.328 3.757 -2.294 994 HD22 LEU 135 1HD2 LEU 135 -0.935 2.679 -2.184 995 HD23 LEU 135 2HD2 LEU 135 -0.722 4.421 -1.986 996 H VAL 136 H VAL 136 -4.963 0.403 -1.587 997 HA VAL 136 HA VAL 136 -6.345 -0.506 0.866 998 HB VAL 136 HB VAL 136 -7.071 -1.215 -1.998 999 HG11 VAL 136 1HG1 VAL 136 -8.608 -1.610 0.572 1000 HG12 VAL 136 2HG1 VAL 136 -7.806 -2.863 -0.368 1001 HG13 VAL 136 3HG1 VAL 136 -9.188 -2.002 -1.046 1002 HG21 VAL 136 3HG2 VAL 136 -8.372 0.845 -0.209 1003 HG22 VAL 136 1HG2 VAL 136 -8.968 0.334 -1.788 1004 HG23 VAL 136 2HG2 VAL 136 -7.422 1.174 -1.654 1005 H PHE 137 H PHE 137 -5.641 -2.378 1.694 1006 HA PHE 137 HA PHE 137 -3.611 -3.858 0.190 1007 HB2 PHE 137 2HB PHE 137 -2.939 -2.988 2.331 1008 HB3 PHE 137 1HB PHE 137 -4.327 -3.723 3.109 1009 HD1 PHE 137 2HD PHE 137 -1.092 -4.417 1.477 1010 HD2 PHE 137 1HD PHE 137 -4.262 -5.951 3.865 1011 HE1 PHE 137 2HE PHE 137 0.276 -6.380 2.041 1012 HE2 PHE 137 1HE PHE 137 -2.897 -7.913 4.434 1013 HZ PHE 137 HZ PHE 137 -0.628 -8.125 3.521 1014 H LEU 138 H LEU 138 -4.061 -5.829 -0.594 1015 HA LEU 138 HA LEU 138 -6.224 -7.404 0.628 1016 HB2 LEU 138 2HB LEU 138 -5.770 -7.108 -2.356 1017 HB3 LEU 138 1HB LEU 138 -6.850 -8.256 -1.624 1018 HG LEU 138 HG LEU 138 -8.202 -6.612 -2.521 1019 HD11 LEU 138 1HD1 LEU 138 -7.977 -5.948 0.380 1020 HD12 LEU 138 2HD1 LEU 138 -8.954 -7.218 -0.360 1021 HD13 LEU 138 3HD1 LEU 138 -9.329 -5.522 -0.670 1022 HD21 LEU 138 3HD2 LEU 138 -7.938 -4.193 -2.175 1023 HD22 LEU 138 1HD2 LEU 138 -6.550 -4.909 -2.992 1024 HD23 LEU 138 2HD2 LEU 138 -6.447 -4.499 -1.281 1025 H ALA 139 H ALA 139 -5.803 -9.599 0.665 1026 HA ALA 139 HA ALA 139 -3.161 -10.480 -0.022 1027 HB1 ALA 139 1HB ALA 139 -4.070 -12.748 0.534 1028 HB2 ALA 139 2HB ALA 139 -5.672 -12.034 0.702 1029 HB3 ALA 139 3HB ALA 139 -4.384 -11.580 1.818 1030 H GLY 140 H GLY 140 -2.605 -11.015 -2.069 1031 HA2 GLY 140 2HA GLY 140 -4.873 -11.250 -3.917 1032 HA3 GLY 140 1HA GLY 140 -3.500 -10.224 -4.274 1033 HA PRO 141 HA PRO 141 -1.806 -13.381 -6.488 1034 HB2 PRO 141 2HB PRO 141 0.879 -13.194 -6.102 1035 HB3 PRO 141 1HB PRO 141 -0.077 -12.114 -7.114 1036 HG2 PRO 141 2HG PRO 141 1.022 -11.675 -4.388 1037 HG3 PRO 141 1HG PRO 141 0.735 -10.506 -5.682 1038 HD2 PRO 141 2HD PRO 141 -0.902 -10.872 -3.468 1039 HD3 PRO 141 1HD PRO 141 -1.380 -10.091 -4.982 1040 H ALA 142 H ALA 142 -1.314 -15.333 -6.527 1041 HA ALA 142 HA ALA 142 -0.177 -16.822 -4.290 1042 HB1 ALA 142 1HB ALA 142 -2.622 -16.964 -3.981 1043 HB2 ALA 142 2HB ALA 142 -2.011 -18.509 -4.568 1044 HB3 ALA 142 3HB ALA 142 -2.823 -17.404 -5.678 1045 H GLU 143 H GLU 143 0.875 -15.853 -6.522 1046 HA GLU 143 HA GLU 143 0.494 -17.312 -8.923 1047 HB2 GLU 143 2HB GLU 143 1.273 -14.845 -8.426 1048 HB3 GLU 143 1HB GLU 143 2.866 -15.585 -8.365 1049 HG2 GLU 143 2HG GLU 143 2.411 -14.673 -10.559 1050 HG3 GLU 143 1HG GLU 143 2.546 -16.433 -10.637 Start of MODEL 19 1 H1 MET 1 1HT MET 1 26.632 -17.499 28.524 2 H2 MET 1 2HT MET 1 27.230 -18.686 27.490 3 H3 MET 1 3HT MET 1 25.979 -17.653 26.986 4 HA MET 1 HA MET 1 28.699 -16.798 27.697 5 HB2 MET 1 2HB MET 1 29.017 -16.308 25.301 6 HB3 MET 1 1HB MET 1 28.730 -18.012 25.556 7 HG2 MET 1 2HG MET 1 26.667 -16.034 24.586 8 HG3 MET 1 1HG MET 1 27.603 -17.107 23.554 9 HE1 MET 1 2HE MET 1 24.019 -18.652 23.341 10 HE2 MET 1 3HE MET 1 25.407 -18.056 22.429 11 HE3 MET 1 1HE MET 1 24.456 -16.947 23.417 12 H SER 2 H SER 2 28.974 -14.491 26.557 13 HA SER 2 HA SER 2 27.240 -12.827 27.995 14 HB2 SER 2 2HB SER 2 29.224 -12.156 25.830 15 HB3 SER 2 1HB SER 2 28.471 -10.992 26.926 16 HG SER 2 HG SER 2 29.505 -13.081 28.273 17 H ASP 3 H ASP 3 25.593 -11.520 27.405 18 HA ASP 3 HA ASP 3 24.406 -12.059 24.795 19 HB2 ASP 3 2HB ASP 3 23.004 -12.713 26.670 20 HB3 ASP 3 1HB ASP 3 23.113 -11.093 27.349 21 H ASN 4 H ASN 4 24.843 -10.605 23.376 22 HA ASN 4 HA ASN 4 24.611 -7.782 24.135 23 HB2 ASN 4 2HB ASN 4 26.312 -8.940 21.896 24 HB3 ASN 4 1HB ASN 4 26.166 -7.240 22.309 25 HD21 ASN 4 1HD2 ASN 4 27.603 -10.245 23.091 26 HD22 ASN 4 2HD2 ASN 4 28.754 -9.665 24.238 27 H ASN 5 H ASN 5 23.370 -6.538 22.690 28 HA ASN 5 HA ASN 5 21.963 -8.107 20.657 29 HB2 ASN 5 2HB ASN 5 20.712 -6.177 22.632 30 HB3 ASN 5 1HB ASN 5 19.869 -6.914 21.270 31 HD21 ASN 5 1HD2 ASN 5 21.237 -7.434 24.404 32 HD22 ASN 5 2HD2 ASN 5 20.611 -9.005 24.697 33 H GLY 6 H GLY 6 21.741 -7.164 18.748 34 HA2 GLY 6 2HA GLY 6 23.179 -4.861 18.088 35 HA3 GLY 6 1HA GLY 6 21.970 -5.641 17.078 36 H THR 7 H THR 7 22.733 -2.830 18.449 37 HA THR 7 HA THR 7 20.041 -2.093 19.172 38 HB THR 7 HB THR 7 21.852 -1.314 20.647 39 HG1 THR 7 1HG THR 7 21.103 1.092 19.478 40 HG21 THR 7 3HG2 THR 7 23.467 0.400 19.910 41 HG22 THR 7 1HG2 THR 7 22.858 0.256 18.261 42 HG23 THR 7 2HG2 THR 7 23.676 -1.109 19.020 43 HA PRO 8 HA PRO 8 19.390 -0.420 15.104 44 HB2 PRO 8 2HB PRO 8 17.018 0.787 15.547 45 HB3 PRO 8 1HB PRO 8 17.162 -0.967 15.425 46 HG2 PRO 8 2HG PRO 8 16.904 0.750 17.852 47 HG3 PRO 8 1HG PRO 8 16.193 -0.840 17.525 48 HD2 PRO 8 2HD PRO 8 18.437 -0.420 19.073 49 HD3 PRO 8 1HD PRO 8 18.065 -1.944 18.246 50 H GLU 9 H GLU 9 20.156 1.390 14.233 51 HA GLU 9 HA GLU 9 20.677 3.664 15.895 52 HB2 GLU 9 2HB GLU 9 21.196 3.123 12.974 53 HB3 GLU 9 1HB GLU 9 21.590 4.650 13.746 54 HG2 GLU 9 2HG GLU 9 22.681 1.962 14.537 55 HG3 GLU 9 1HG GLU 9 23.525 3.171 13.567 56 HA PRO 10 HA PRO 10 16.757 5.540 15.073 57 HB2 PRO 10 2HB PRO 10 17.463 8.099 15.818 58 HB3 PRO 10 1HB PRO 10 16.991 6.834 16.957 59 HG2 PRO 10 2HG PRO 10 19.721 7.767 16.180 60 HG3 PRO 10 1HG PRO 10 19.103 7.307 17.779 61 HD2 PRO 10 2HD PRO 10 20.640 5.665 16.314 62 HD3 PRO 10 1HD PRO 10 19.338 5.049 17.354 63 H GLN 11 H GLN 11 15.945 6.361 13.290 64 HA GLN 11 HA GLN 11 17.767 7.435 11.321 65 HB2 GLN 11 2HB GLN 11 14.874 6.577 11.154 66 HB3 GLN 11 1HB GLN 11 15.787 7.232 9.804 67 HG2 GLN 11 2HG GLN 11 16.527 4.722 11.294 68 HG3 GLN 11 1HG GLN 11 15.575 4.753 9.811 69 HE21 GLN 11 1HE2 GLN 11 17.118 3.539 8.731 70 HE22 GLN 11 2HE2 GLN 11 18.624 4.218 8.222 71 H VAL 12 H VAL 12 17.773 9.508 10.784 72 HA VAL 12 HA VAL 12 15.790 11.226 12.076 73 HB VAL 12 HB VAL 12 18.521 11.983 10.963 74 HG11 VAL 12 1HG1 VAL 12 16.573 13.585 12.624 75 HG12 VAL 12 2HG1 VAL 12 16.933 13.831 10.919 76 HG13 VAL 12 3HG1 VAL 12 18.182 14.115 12.133 77 HG21 VAL 12 3HG2 VAL 12 17.693 11.601 13.843 78 HG22 VAL 12 1HG2 VAL 12 19.247 12.237 13.301 79 HG23 VAL 12 2HG2 VAL 12 18.795 10.572 12.931 80 H GLU 13 H GLU 13 14.372 12.014 10.735 81 HA GLU 13 HA GLU 13 15.020 12.075 7.876 82 HB2 GLU 13 2HB GLU 13 13.516 10.199 8.785 83 HB3 GLU 13 1HB GLU 13 12.305 11.456 9.012 84 HG2 GLU 13 2HG GLU 13 11.885 10.384 6.942 85 HG3 GLU 13 1HG GLU 13 12.567 11.977 6.581 86 H THR 14 H THR 14 14.532 14.012 7.026 87 HA THR 14 HA THR 14 13.338 15.925 8.817 88 HB THR 14 HB THR 14 14.227 16.403 5.965 89 HG1 THR 14 1HG THR 14 15.823 15.622 7.730 90 HG21 THR 14 3HG2 THR 14 14.396 18.740 6.690 91 HG22 THR 14 1HG2 THR 14 13.843 18.280 8.299 92 HG23 THR 14 2HG2 THR 14 12.756 18.133 6.915 93 H TPO 15 H TPO 15 11.362 16.370 8.825 94 HA TPO 15 HA TPO 15 9.525 15.436 6.704 95 HB TPO 15 HB TPO 15 8.782 15.489 9.634 96 HG21 TPO 15 1HG2 TPO 15 7.119 13.837 8.924 97 HG22 TPO 15 2HG2 TPO 15 7.751 13.899 7.282 98 HG23 TPO 15 3HG2 TPO 15 6.978 15.322 7.981 99 H SER 16 H SER 16 8.054 16.986 6.095 100 HA SER 16 HA SER 16 7.969 19.485 7.587 101 HB2 SER 16 2HB SER 16 6.896 18.786 4.841 102 HB3 SER 16 1HB SER 16 7.016 20.400 5.543 103 HG SER 16 HG SER 16 9.372 19.552 5.784 104 H VAL 17 H VAL 17 5.878 20.353 8.137 105 HA VAL 17 HA VAL 17 3.941 18.264 8.712 106 HB VAL 17 HB VAL 17 3.900 21.200 9.497 107 HG11 VAL 17 1HG1 VAL 17 1.684 20.198 9.521 108 HG12 VAL 17 2HG1 VAL 17 2.231 20.513 11.171 109 HG13 VAL 17 3HG1 VAL 17 2.277 18.873 10.523 110 HG21 VAL 17 3HG2 VAL 17 4.775 18.796 11.103 111 HG22 VAL 17 1HG2 VAL 17 4.637 20.442 11.720 112 HG23 VAL 17 2HG2 VAL 17 5.828 20.061 10.475 113 H PHE 18 H PHE 18 2.419 17.858 7.258 114 HA PHE 18 HA PHE 18 1.517 20.016 5.485 115 HB2 PHE 18 2HB PHE 18 2.653 18.132 4.370 116 HB3 PHE 18 1HB PHE 18 1.529 17.013 5.109 117 HD1 PHE 18 2HD PHE 18 -0.764 16.836 4.270 118 HD2 PHE 18 1HD PHE 18 2.075 19.428 2.462 119 HE1 PHE 18 2HE PHE 18 -2.172 16.968 2.273 120 HE2 PHE 18 1HE PHE 18 0.682 19.567 0.453 121 HZ PHE 18 HZ PHE 18 -1.458 18.342 0.348 122 H ARG 19 H ARG 19 -0.562 20.608 5.702 123 HA ARG 19 HA ARG 19 -2.356 18.836 7.174 124 HB2 ARG 19 2HB ARG 19 -2.037 21.819 7.475 125 HB3 ARG 19 1HB ARG 19 -3.380 20.905 8.141 126 HG2 ARG 19 2HG ARG 19 -1.830 19.630 9.519 127 HG3 ARG 19 1HG ARG 19 -0.483 20.536 8.834 128 HD2 ARG 19 2HD ARG 19 -1.363 22.595 9.734 129 HD3 ARG 19 1HD ARG 19 -2.774 21.749 10.366 130 HE ARG 19 HE ARG 19 -1.172 20.461 11.741 131 HH11 ARG 19 1HH1 ARG 19 -0.264 23.718 10.621 132 HH12 ARG 19 2HH1 ARG 19 0.719 24.029 11.960 133 HH21 ARG 19 1HH2 ARG 19 0.211 20.963 13.605 134 HH22 ARG 19 2HH2 ARG 19 1.002 22.469 13.641 135 H ALA 20 H ALA 20 -4.392 18.707 6.351 136 HA ALA 20 HA ALA 20 -5.032 20.419 4.119 137 HB1 ALA 20 1HB ALA 20 -3.842 18.541 3.115 138 HB2 ALA 20 2HB ALA 20 -5.552 18.522 2.673 139 HB3 ALA 20 3HB ALA 20 -4.950 17.423 3.912 140 H ASP 21 H ASP 21 -7.201 20.142 3.429 141 HA ASP 21 HA ASP 21 -9.090 20.138 5.534 142 HB2 ASP 21 2HB ASP 21 -10.755 20.508 3.753 143 HB3 ASP 21 1HB ASP 21 -9.368 21.573 3.611 144 H LEU 22 H LEU 22 -7.690 17.532 4.457 145 HA LEU 22 HA LEU 22 -9.634 15.710 3.629 146 HB2 LEU 22 2HB LEU 22 -8.016 13.962 4.228 147 HB3 LEU 22 1HB LEU 22 -7.268 15.289 3.373 148 HG LEU 22 HG LEU 22 -6.602 16.087 5.799 149 HD11 LEU 22 1HD1 LEU 22 -7.834 14.423 7.044 150 HD12 LEU 22 2HD1 LEU 22 -6.105 14.246 7.324 151 HD13 LEU 22 3HD1 LEU 22 -6.942 13.127 6.250 152 HD21 LEU 22 3HD2 LEU 22 -5.215 13.767 4.483 153 HD22 LEU 22 1HD2 LEU 22 -4.491 14.913 5.602 154 HD23 LEU 22 2HD2 LEU 22 -5.031 15.448 4.003 155 H LEU 23 H LEU 23 -8.738 16.798 6.841 156 HA LEU 23 HA LEU 23 -10.093 14.756 8.219 157 HB2 LEU 23 2HB LEU 23 -9.818 16.352 10.188 158 HB3 LEU 23 1HB LEU 23 -8.374 15.701 9.449 159 HG LEU 23 HG LEU 23 -8.138 17.910 8.227 160 HD11 LEU 23 1HD1 LEU 23 -10.242 18.839 10.164 161 HD12 LEU 23 2HD1 LEU 23 -10.407 18.735 8.414 162 HD13 LEU 23 3HD1 LEU 23 -9.256 19.868 9.125 163 HD21 LEU 23 3HD2 LEU 23 -8.048 17.955 11.233 164 HD22 LEU 23 1HD2 LEU 23 -7.205 19.075 10.163 165 HD23 LEU 23 2HD2 LEU 23 -6.785 17.362 10.156 166 H LYS 24 H LYS 24 -11.195 17.532 6.673 167 HA LYS 24 HA LYS 24 -13.617 17.763 8.252 168 HB2 LYS 24 2HB LYS 24 -12.403 19.742 7.349 169 HB3 LYS 24 1HB LYS 24 -12.729 19.171 5.723 170 HG2 LYS 24 2HG LYS 24 -14.284 20.895 6.205 171 HG3 LYS 24 1HG LYS 24 -15.164 19.365 6.240 172 HD2 LYS 24 2HD LYS 24 -14.988 19.340 8.694 173 HD3 LYS 24 1HD LYS 24 -14.158 20.896 8.636 174 HE2 LYS 24 2HE LYS 24 -16.149 21.850 7.506 175 HE3 LYS 24 1HE LYS 24 -16.958 20.300 7.722 176 HZ1 LYS 24 3HZ LYS 24 -15.985 22.084 9.879 177 HZ2 LYS 24 1HZ LYS 24 -16.697 20.571 10.135 178 HZ3 LYS 24 2HZ LYS 24 -17.580 21.824 9.448 179 H GLU 25 H GLU 25 -12.401 16.207 5.461 180 HA GLU 25 HA GLU 25 -15.036 15.828 4.288 181 HB2 GLU 25 2HB GLU 25 -13.407 16.695 2.772 182 HB3 GLU 25 1HB GLU 25 -12.268 15.421 3.167 183 HG2 GLU 25 2HG GLU 25 -13.634 13.798 2.049 184 HG3 GLU 25 1HG GLU 25 -14.924 14.975 1.832 185 H MET 26 H MET 26 -12.294 13.885 5.493 186 HA MET 26 HA MET 26 -13.364 11.389 4.638 187 HB2 MET 26 2HB MET 26 -11.605 10.321 5.892 188 HB3 MET 26 1HB MET 26 -10.957 11.742 5.096 189 HG2 MET 26 2HG MET 26 -11.097 12.978 7.209 190 HG3 MET 26 1HG MET 26 -11.711 11.527 8.001 191 HE1 MET 26 3HE MET 26 -9.198 13.091 9.133 192 HE2 MET 26 1HE MET 26 -8.136 11.733 9.499 193 HE3 MET 26 2HE MET 26 -9.866 11.617 9.832 194 H GLU 27 H GLU 27 -14.556 13.311 6.931 195 HA GLU 27 HA GLU 27 -15.235 11.765 9.150 196 HB2 GLU 27 2HB GLU 27 -16.730 13.975 7.751 197 HB3 GLU 27 1HB GLU 27 -17.150 13.342 9.337 198 HG2 GLU 27 2HG GLU 27 -14.460 14.499 8.706 199 HG3 GLU 27 1HG GLU 27 -15.805 15.469 9.294 200 H SER 28 H SER 28 -16.528 11.796 5.902 201 HA SER 28 HA SER 28 -19.018 10.619 6.260 202 HB2 SER 28 2HB SER 28 -18.555 10.053 3.804 203 HB3 SER 28 1HB SER 28 -18.505 11.760 4.269 204 HG SER 28 HG SER 28 -16.661 10.858 2.976 205 H SER 29 H SER 29 -15.847 9.291 5.536 206 HA SER 29 HA SER 29 -16.800 6.605 5.388 207 HB2 SER 29 2HB SER 29 -14.356 6.069 5.115 208 HB3 SER 29 1HB SER 29 -15.032 7.202 3.945 209 HG SER 29 HG SER 29 -14.052 8.549 6.090 210 H THR 30 H THR 30 -15.730 8.575 7.968 211 HA THR 30 HA THR 30 -14.925 6.279 9.499 212 HB THR 30 HB THR 30 -15.040 9.177 10.381 213 HG1 THR 30 1HG THR 30 -13.119 9.397 9.490 214 HG21 THR 30 3HG2 THR 30 -13.525 6.789 11.488 215 HG22 THR 30 1HG2 THR 30 -14.934 7.542 12.235 216 HG23 THR 30 2HG2 THR 30 -13.428 8.443 12.098 217 H GLY 31 H GLY 31 -16.948 5.305 9.351 218 HA2 GLY 31 2HA GLY 31 -18.808 6.240 11.430 219 HA3 GLY 31 1HA GLY 31 -19.385 5.512 9.925 220 H THR 32 H THR 32 -19.596 3.353 9.844 221 HA THR 32 HA THR 32 -18.438 1.875 12.061 222 HB THR 32 HB THR 32 -20.418 0.998 9.927 223 HG1 THR 32 1HG THR 32 -20.840 1.868 12.604 224 HG21 THR 32 3HG2 THR 32 -20.923 -0.824 11.500 225 HG22 THR 32 1HG2 THR 32 -19.709 -0.207 12.619 226 HG23 THR 32 2HG2 THR 32 -19.220 -0.845 11.050 227 H ALA 33 H ALA 33 -16.526 1.009 11.644 228 HA ALA 33 HA ALA 33 -15.936 -0.019 8.977 229 HB1 ALA 33 1HB ALA 33 -13.604 0.677 9.269 230 HB2 ALA 33 2HB ALA 33 -14.005 1.392 10.827 231 HB3 ALA 33 3HB ALA 33 -14.681 2.073 9.346 232 HA PRO 34 HA PRO 34 -15.208 -3.488 11.766 233 HB2 PRO 34 2HB PRO 34 -15.040 -5.388 9.833 234 HB3 PRO 34 1HB PRO 34 -16.585 -4.807 10.450 235 HG2 PRO 34 2HG PRO 34 -15.170 -4.129 7.922 236 HG3 PRO 34 1HG PRO 34 -16.907 -4.301 8.217 237 HD2 PRO 34 2HD PRO 34 -15.582 -1.887 8.028 238 HD3 PRO 34 1HD PRO 34 -17.115 -2.121 8.885 239 H ALA 35 H ALA 35 -13.315 -4.783 12.153 240 HA ALA 35 HA ALA 35 -10.959 -3.784 10.827 241 HB1 ALA 35 1HB ALA 35 -10.894 -4.275 13.238 242 HB2 ALA 35 2HB ALA 35 -9.745 -5.275 12.351 243 HB3 ALA 35 3HB ALA 35 -11.279 -5.964 12.897 244 H SER 36 H SER 36 -10.097 -4.704 9.120 245 HA SER 36 HA SER 36 -11.500 -6.750 7.796 246 HB2 SER 36 2HB SER 36 -8.811 -5.543 7.184 247 HB3 SER 36 1HB SER 36 -9.887 -6.371 6.055 248 HG SER 36 HG SER 36 -10.035 -3.810 7.101 249 H THR 37 H THR 37 -11.342 -8.827 8.300 250 HA THR 37 HA THR 37 -8.896 -9.844 9.502 251 HB THR 37 HB THR 37 -10.339 -11.864 9.964 252 HG1 THR 37 1HG THR 37 -11.856 -11.011 8.203 253 HG21 THR 37 3HG2 THR 37 -9.990 -10.124 11.668 254 HG22 THR 37 1HG2 THR 37 -11.619 -10.793 11.770 255 HG23 THR 37 2HG2 THR 37 -11.360 -9.218 11.025 256 H GLY 38 H GLY 38 -7.711 -11.442 8.562 257 HA2 GLY 38 2HA GLY 38 -8.265 -13.301 6.711 258 HA3 GLY 38 1HA GLY 38 -8.111 -11.864 5.709 259 H ALA 39 H ALA 39 -6.115 -10.827 7.714 260 HA ALA 39 HA ALA 39 -3.818 -11.806 6.281 261 HB1 ALA 39 1HB ALA 39 -4.001 -9.836 8.560 262 HB2 ALA 39 2HB ALA 39 -4.007 -9.444 6.838 263 HB3 ALA 39 3HB ALA 39 -2.567 -10.145 7.580 264 H GLU 40 H GLU 40 -5.276 -12.203 9.377 265 HA GLU 40 HA GLU 40 -3.128 -13.454 10.757 266 HB2 GLU 40 2HB GLU 40 -5.963 -14.179 11.363 267 HB3 GLU 40 1HB GLU 40 -4.638 -13.874 12.464 268 HG2 GLU 40 2HG GLU 40 -6.056 -12.133 12.837 269 HG3 GLU 40 1HG GLU 40 -4.900 -11.403 11.712 270 H ASN 41 H ASN 41 -5.403 -14.437 8.480 271 HA ASN 41 HA ASN 41 -5.204 -17.290 8.999 272 HB2 ASN 41 2HB ASN 41 -7.401 -16.464 8.374 273 HB3 ASN 41 1HB ASN 41 -6.759 -15.717 6.921 274 HD21 ASN 41 1HD2 ASN 41 -7.647 -18.745 8.442 275 HD22 ASN 41 2HD2 ASN 41 -7.682 -19.671 6.993 276 H LEU 42 H LEU 42 -3.585 -14.920 7.280 277 HA LEU 42 HA LEU 42 -1.873 -14.882 5.891 278 HB2 LEU 42 2HB LEU 42 -1.826 -17.729 6.670 279 HB3 LEU 42 1HB LEU 42 -0.555 -17.073 5.620 280 HG LEU 42 HG LEU 42 -1.192 -16.324 8.494 281 HD11 LEU 42 1HD1 LEU 42 1.181 -17.746 7.300 282 HD12 LEU 42 2HD1 LEU 42 -0.084 -18.474 8.291 283 HD13 LEU 42 3HD1 LEU 42 1.004 -17.275 8.991 284 HD21 LEU 42 3HD2 LEU 42 0.960 -15.255 6.660 285 HD22 LEU 42 1HD2 LEU 42 0.828 -14.921 8.387 286 HD23 LEU 42 2HD2 LEU 42 -0.425 -14.360 7.289 287 HA PRO 43 HA PRO 43 -4.692 -15.792 2.412 288 HB2 PRO 43 2HB PRO 43 -3.288 -14.014 0.760 289 HB3 PRO 43 1HB PRO 43 -4.749 -13.660 1.682 290 HG2 PRO 43 2HG PRO 43 -1.898 -13.093 2.350 291 HG3 PRO 43 1HG PRO 43 -3.347 -12.136 2.709 292 HD2 PRO 43 2HD PRO 43 -2.095 -13.552 4.561 293 HD3 PRO 43 1HD PRO 43 -3.865 -13.416 4.560 294 H ALA 44 H ALA 44 -1.384 -15.032 1.313 295 HA ALA 44 HA ALA 44 -1.081 -17.804 0.407 296 HB1 ALA 44 1HB ALA 44 -0.554 -17.141 -1.887 297 HB2 ALA 44 2HB ALA 44 -0.904 -15.459 -1.490 298 HB3 ALA 44 3HB ALA 44 -2.196 -16.660 -1.455 299 H GLY 45 H GLY 45 0.198 -15.712 2.243 300 HA2 GLY 45 2HA GLY 45 2.394 -15.499 3.026 301 HA3 GLY 45 1HA GLY 45 2.949 -16.358 1.594 302 H SER 46 H SER 46 1.150 -14.300 0.131 303 HA SER 46 HA SER 46 2.818 -11.922 0.346 304 HB2 SER 46 2HB SER 46 1.916 -13.161 -2.264 305 HB3 SER 46 1HB SER 46 2.975 -11.770 -2.053 306 HG SER 46 HG SER 46 3.871 -13.979 -0.746 307 H ALA 47 H ALA 47 1.653 -10.062 -0.308 308 HA ALA 47 HA ALA 47 -1.099 -10.235 -1.060 309 HB1 ALA 47 1HB ALA 47 -0.268 -9.020 1.584 310 HB2 ALA 47 2HB ALA 47 -1.281 -10.451 1.379 311 HB3 ALA 47 3HB ALA 47 -1.869 -8.871 0.859 312 H LEU 48 H LEU 48 -1.862 -7.965 -1.576 313 HA LEU 48 HA LEU 48 0.479 -6.370 -2.237 314 HB2 LEU 48 2HB LEU 48 -0.546 -5.873 -4.434 315 HB3 LEU 48 1HB LEU 48 -0.021 -7.522 -4.235 316 HG LEU 48 HG LEU 48 -2.477 -8.090 -3.778 317 HD11 LEU 48 1HD1 LEU 48 -3.349 -5.853 -3.395 318 HD12 LEU 48 2HD1 LEU 48 -4.148 -6.617 -4.768 319 HD13 LEU 48 3HD1 LEU 48 -2.913 -5.388 -5.040 320 HD21 LEU 48 3HD2 LEU 48 -2.974 -8.201 -6.147 321 HD22 LEU 48 1HD2 LEU 48 -1.321 -8.699 -5.791 322 HD23 LEU 48 2HD2 LEU 48 -1.631 -7.101 -6.475 323 H LEU 49 H LEU 49 0.108 -4.199 -2.594 324 HA LEU 49 HA LEU 49 -2.450 -3.274 -1.568 325 HB2 LEU 49 2HB LEU 49 -1.301 -1.180 -0.836 326 HB3 LEU 49 1HB LEU 49 -0.769 -2.590 0.031 327 HG LEU 49 HG LEU 49 1.253 -2.562 -1.587 328 HD11 LEU 49 1HD1 LEU 49 1.869 -0.351 -2.421 329 HD12 LEU 49 2HD1 LEU 49 0.306 0.272 -1.898 330 HD13 LEU 49 3HD1 LEU 49 0.387 -0.944 -3.173 331 HD21 LEU 49 3HD2 LEU 49 0.898 -0.417 0.494 332 HD22 LEU 49 1HD2 LEU 49 2.438 -1.005 -0.128 333 HD23 LEU 49 2HD2 LEU 49 1.386 -2.084 0.790 334 H VAL 50 H VAL 50 -3.534 -1.796 -2.742 335 HA VAL 50 HA VAL 50 -2.257 -0.990 -5.232 336 HB VAL 50 HB VAL 50 -3.671 -2.951 -5.732 337 HG11 VAL 50 1HG1 VAL 50 -6.110 -2.861 -5.560 338 HG12 VAL 50 2HG1 VAL 50 -5.981 -1.322 -4.709 339 HG13 VAL 50 3HG1 VAL 50 -5.321 -2.788 -3.983 340 HG21 VAL 50 3HG2 VAL 50 -4.800 -0.386 -6.851 341 HG22 VAL 50 1HG2 VAL 50 -5.001 -1.990 -7.558 342 HG23 VAL 50 2HG2 VAL 50 -3.398 -1.263 -7.463 343 H VAL 51 H VAL 51 -2.609 1.027 -5.816 344 HA VAL 51 HA VAL 51 -3.875 2.801 -3.909 345 HB VAL 51 HB VAL 51 -2.878 3.484 -6.664 346 HG11 VAL 51 1HG1 VAL 51 -4.187 5.218 -5.552 347 HG12 VAL 51 2HG1 VAL 51 -2.501 5.714 -5.680 348 HG13 VAL 51 3HG1 VAL 51 -3.134 5.130 -4.141 349 HG21 VAL 51 3HG2 VAL 51 -1.235 3.363 -4.132 350 HG22 VAL 51 1HG2 VAL 51 -0.698 4.026 -5.672 351 HG23 VAL 51 2HG2 VAL 51 -1.081 2.309 -5.531 352 H LYS 52 H LYS 52 -5.853 3.194 -3.821 353 HA LYS 52 HA LYS 52 -7.679 2.394 -5.910 354 HB2 LYS 52 2HB LYS 52 -8.163 1.939 -3.543 355 HB3 LYS 52 1HB LYS 52 -8.127 3.658 -3.195 356 HG2 LYS 52 2HG LYS 52 -10.405 2.953 -3.281 357 HG3 LYS 52 1HG LYS 52 -10.091 3.926 -4.714 358 HD2 LYS 52 2HD LYS 52 -9.854 1.901 -6.059 359 HD3 LYS 52 1HD LYS 52 -10.107 0.913 -4.616 360 HE2 LYS 52 2HE LYS 52 -12.347 1.931 -4.360 361 HE3 LYS 52 1HE LYS 52 -12.076 2.827 -5.849 362 HZ1 LYS 52 3HZ LYS 52 -13.397 0.850 -6.212 363 HZ2 LYS 52 1HZ LYS 52 -12.156 -0.122 -5.615 364 HZ3 LYS 52 2HZ LYS 52 -11.943 0.740 -7.048 365 H ARG 53 H ARG 53 -6.561 5.274 -4.276 366 HA ARG 53 HA ARG 53 -7.449 6.890 -6.511 367 HB2 ARG 53 2HB ARG 53 -9.379 7.013 -4.993 368 HB3 ARG 53 1HB ARG 53 -8.324 7.477 -3.664 369 HG2 ARG 53 2HG ARG 53 -7.725 9.531 -4.856 370 HG3 ARG 53 1HG ARG 53 -8.784 9.063 -6.176 371 HD2 ARG 53 2HD ARG 53 -10.715 9.226 -4.727 372 HD3 ARG 53 1HD ARG 53 -9.671 9.584 -3.347 373 HE ARG 53 HE ARG 53 -8.919 11.464 -5.018 374 HH11 ARG 53 1HH1 ARG 53 -12.239 10.523 -4.206 375 HH12 ARG 53 2HH1 ARG 53 -12.854 12.103 -4.402 376 HH21 ARG 53 1HH2 ARG 53 -9.808 13.593 -5.291 377 HH22 ARG 53 2HH2 ARG 53 -11.462 13.860 -5.045 378 H GLY 54 H GLY 54 -6.047 8.443 -6.942 379 HA2 GLY 54 2HA GLY 54 -4.617 10.106 -5.513 380 HA3 GLY 54 1HA GLY 54 -3.662 8.627 -5.336 381 HA PRO 55 HA PRO 55 -2.731 10.673 -9.504 382 HB2 PRO 55 2HB PRO 55 -0.034 10.993 -8.356 383 HB3 PRO 55 1HB PRO 55 -1.005 12.162 -9.250 384 HG2 PRO 55 2HG PRO 55 -0.624 12.457 -6.628 385 HG3 PRO 55 1HG PRO 55 -2.200 12.818 -7.362 386 HD2 PRO 55 2HD PRO 55 -1.332 10.359 -5.874 387 HD3 PRO 55 1HD PRO 55 -2.832 11.303 -5.707 388 H ASN 56 H ASN 56 -1.237 8.396 -7.325 389 HA ASN 56 HA ASN 56 0.045 6.932 -9.481 390 HB2 ASN 56 2HB ASN 56 1.064 5.660 -7.582 391 HB3 ASN 56 1HB ASN 56 1.435 7.377 -7.535 392 HD21 ASN 56 1HD2 ASN 56 1.507 5.462 -5.350 393 HD22 ASN 56 2HD2 ASN 56 0.376 6.021 -4.177 394 H ALA 57 H ALA 57 -2.958 7.080 -8.928 395 HA ALA 57 HA ALA 57 -3.896 4.715 -7.742 396 HB1 ALA 57 1HB ALA 57 -6.012 5.172 -8.835 397 HB2 ALA 57 2HB ALA 57 -5.227 6.319 -9.919 398 HB3 ALA 57 3HB ALA 57 -5.329 6.665 -8.193 399 H GLY 58 H GLY 58 -4.456 2.738 -8.511 400 HA2 GLY 58 2HA GLY 58 -4.748 1.086 -10.153 401 HA3 GLY 58 1HA GLY 58 -3.964 2.139 -11.322 402 H ALA 59 H ALA 59 -1.968 2.441 -8.862 403 HA ALA 59 HA ALA 59 -0.123 0.502 -9.896 404 HB1 ALA 59 1HB ALA 59 1.476 1.467 -8.336 405 HB2 ALA 59 2HB ALA 59 0.182 2.370 -7.554 406 HB3 ALA 59 3HB ALA 59 0.632 2.746 -9.215 407 H ARG 60 H ARG 60 0.210 -1.455 -9.150 408 HA ARG 60 HA ARG 60 -0.795 -2.101 -6.482 409 HB2 ARG 60 2HB ARG 60 -1.256 -4.401 -7.261 410 HB3 ARG 60 1HB ARG 60 -2.142 -3.244 -8.230 411 HG2 ARG 60 2HG ARG 60 -1.397 -4.744 -9.831 412 HG3 ARG 60 1HG ARG 60 -0.134 -3.520 -9.892 413 HD2 ARG 60 2HD ARG 60 1.151 -4.973 -8.246 414 HD3 ARG 60 1HD ARG 60 -0.040 -6.228 -8.569 415 HE ARG 60 HE ARG 60 1.189 -5.091 -10.897 416 HH11 ARG 60 1HH1 ARG 60 1.209 -7.824 -8.646 417 HH12 ARG 60 2HH1 ARG 60 2.421 -8.699 -9.453 418 HH21 ARG 60 1HH2 ARG 60 2.844 -6.307 -12.050 419 HH22 ARG 60 2HH2 ARG 60 3.363 -7.821 -11.476 420 H PHE 61 H PHE 61 0.589 -3.056 -5.119 421 HA PHE 61 HA PHE 61 3.186 -3.865 -6.205 422 HB2 PHE 61 2HB PHE 61 2.739 -2.221 -3.701 423 HB3 PHE 61 1HB PHE 61 4.274 -2.943 -4.154 424 HD1 PHE 61 2HD PHE 61 5.495 -2.101 -6.132 425 HD2 PHE 61 1HD PHE 61 1.966 -0.200 -4.705 426 HE1 PHE 61 2HE PHE 61 6.059 -0.081 -7.425 427 HE2 PHE 61 1HE PHE 61 2.524 1.818 -5.990 428 HZ PHE 61 HZ PHE 61 4.574 1.879 -7.350 429 H LEU 62 H LEU 62 3.486 -5.912 -5.801 430 HA LEU 62 HA LEU 62 1.982 -7.268 -3.726 431 HB2 LEU 62 2HB LEU 62 2.308 -8.278 -5.991 432 HB3 LEU 62 1HB LEU 62 4.028 -8.344 -5.679 433 HG LEU 62 HG LEU 62 3.573 -9.905 -3.783 434 HD11 LEU 62 1HD1 LEU 62 0.767 -9.863 -4.868 435 HD12 LEU 62 2HD1 LEU 62 1.289 -9.298 -3.280 436 HD13 LEU 62 3HD1 LEU 62 1.390 -11.011 -3.685 437 HD21 LEU 62 3HD2 LEU 62 3.089 -11.850 -5.195 438 HD22 LEU 62 1HD2 LEU 62 4.247 -10.760 -5.959 439 HD23 LEU 62 2HD2 LEU 62 2.563 -10.772 -6.488 440 H LEU 63 H LEU 63 2.751 -7.470 -1.729 441 HA LEU 63 HA LEU 63 5.488 -6.685 -1.246 442 HB2 LEU 63 2HB LEU 63 3.316 -7.368 0.723 443 HB3 LEU 63 1HB LEU 63 4.859 -6.632 1.094 444 HG LEU 63 HG LEU 63 2.560 -5.386 -0.403 445 HD11 LEU 63 1HD1 LEU 63 2.545 -3.806 1.442 446 HD12 LEU 63 2HD1 LEU 63 3.875 -4.672 2.203 447 HD13 LEU 63 3HD1 LEU 63 2.311 -5.458 2.019 448 HD21 LEU 63 3HD2 LEU 63 4.610 -4.661 -1.465 449 HD22 LEU 63 1HD2 LEU 63 5.322 -4.298 0.109 450 HD23 LEU 63 2HD2 LEU 63 3.955 -3.349 -0.480 451 H ASP 64 H ASP 64 7.041 -8.009 -0.933 452 HA ASP 64 HA ASP 64 6.571 -10.721 0.130 453 HB2 ASP 64 2HB ASP 64 6.735 -10.907 -2.355 454 HB3 ASP 64 1HB ASP 64 8.301 -10.116 -2.304 455 H GLN 65 H GLN 65 8.054 -7.858 0.541 456 HA GLN 65 HA GLN 65 10.532 -9.043 1.476 457 HB2 GLN 65 2HB GLN 65 11.534 -6.755 1.375 458 HB3 GLN 65 1HB GLN 65 11.064 -7.375 -0.185 459 HG2 GLN 65 2HG GLN 65 9.403 -5.428 1.410 460 HG3 GLN 65 1HG GLN 65 10.615 -4.941 0.233 461 HE21 GLN 65 1HE2 GLN 65 10.171 -5.185 -1.947 462 HE22 GLN 65 2HE2 GLN 65 8.591 -5.532 -2.528 463 HA PRO 66 HA PRO 66 9.516 -8.253 5.685 464 HB2 PRO 66 2HB PRO 66 12.316 -7.397 6.110 465 HB3 PRO 66 1HB PRO 66 11.417 -8.718 6.868 466 HG2 PRO 66 2HG PRO 66 13.279 -9.262 5.072 467 HG3 PRO 66 1HG PRO 66 11.740 -10.142 5.058 468 HD2 PRO 66 2HD PRO 66 12.597 -7.845 3.324 469 HD3 PRO 66 1HD PRO 66 11.823 -9.383 2.872 470 H THR 67 H THR 67 11.020 -5.687 3.889 471 HA THR 67 HA THR 67 9.544 -3.817 5.506 472 HB THR 67 HB THR 67 12.529 -3.529 5.059 473 HG1 THR 67 1HG THR 67 11.144 -4.581 7.006 474 HG21 THR 67 3HG2 THR 67 12.339 -1.342 6.179 475 HG22 THR 67 1HG2 THR 67 10.586 -1.533 6.257 476 HG23 THR 67 2HG2 THR 67 11.389 -1.372 4.698 477 H THR 68 H THR 68 8.475 -2.587 4.206 478 HA THR 68 HA THR 68 9.500 -2.008 1.508 479 HB THR 68 HB THR 68 6.612 -2.182 2.389 480 HG1 THR 68 1HG THR 68 7.259 -4.337 0.960 481 HG21 THR 68 3HG2 THR 68 7.940 -2.465 -0.299 482 HG22 THR 68 1HG2 THR 68 7.150 -1.011 0.305 483 HG23 THR 68 2HG2 THR 68 6.203 -2.469 0.027 484 H THR 69 H THR 69 10.070 0.238 1.563 485 HA THR 69 HA THR 69 8.644 1.871 3.481 486 HB THR 69 HB THR 69 11.037 2.642 1.784 487 HG1 THR 69 1HG THR 69 10.756 1.252 4.234 488 HG21 THR 69 3HG2 THR 69 11.384 4.308 3.553 489 HG22 THR 69 1HG2 THR 69 9.929 3.752 4.379 490 HG23 THR 69 2HG2 THR 69 9.806 4.525 2.797 491 H ALA 70 H ALA 70 7.379 3.614 2.973 492 HA ALA 70 HA ALA 70 6.755 3.976 0.147 493 HB1 ALA 70 1HB ALA 70 4.458 4.414 0.818 494 HB2 ALA 70 2HB ALA 70 4.890 4.159 2.511 495 HB3 ALA 70 3HB ALA 70 4.978 2.820 1.367 496 H GLY 71 H GLY 71 6.739 5.933 -0.603 497 HA2 GLY 71 2HA GLY 71 6.145 8.344 0.217 498 HA3 GLY 71 1HA GLY 71 7.730 8.114 0.982 499 H ARG 72 H ARG 72 8.347 9.862 -0.661 500 HA ARG 72 HA ARG 72 9.120 8.271 -2.956 501 HB2 ARG 72 2HB ARG 72 9.030 10.059 -4.508 502 HB3 ARG 72 1HB ARG 72 7.519 10.108 -3.630 503 HG2 ARG 72 2HG ARG 72 8.314 11.981 -2.333 504 HG3 ARG 72 1HG ARG 72 9.879 11.898 -3.138 505 HD2 ARG 72 2HD ARG 72 8.637 12.132 -5.323 506 HD3 ARG 72 1HD ARG 72 7.220 12.554 -4.365 507 HE ARG 72 HE ARG 72 8.875 14.327 -3.433 508 HH11 ARG 72 1HH1 ARG 72 8.562 13.241 -6.785 509 HH12 ARG 72 2HH1 ARG 72 9.075 14.733 -7.448 510 HH21 ARG 72 1HH2 ARG 72 9.592 16.328 -4.359 511 HH22 ARG 72 2HH2 ARG 72 9.693 16.506 -6.067 512 H HIS 73 H HIS 73 11.066 7.924 -3.189 513 HA HIS 73 HA HIS 73 13.185 9.621 -2.620 514 HB2 HIS 73 2HB HIS 73 14.196 8.286 -0.745 515 HB3 HIS 73 1HB HIS 73 12.709 9.068 -0.253 516 HD1 HIS 73 1HD HIS 73 14.434 5.977 0.054 517 HD2 HIS 73 2HD HIS 73 10.452 7.036 -0.393 518 HE1 HIS 73 1HE HIS 73 13.075 4.078 1.028 519 HA PRO 74 HA PRO 74 15.050 6.957 -5.565 520 HB2 PRO 74 2HB PRO 74 17.220 6.304 -3.625 521 HB3 PRO 74 1HB PRO 74 17.337 6.844 -5.306 522 HG2 PRO 74 2HG PRO 74 17.788 8.577 -3.377 523 HG3 PRO 74 1HG PRO 74 16.807 9.052 -4.777 524 HD2 PRO 74 2HD PRO 74 15.927 8.306 -2.016 525 HD3 PRO 74 1HD PRO 74 15.313 9.590 -3.076 526 H GLU 75 H GLU 75 15.342 5.414 -2.338 527 HA GLU 75 HA GLU 75 14.950 2.876 -3.655 528 HB2 GLU 75 2HB GLU 75 15.496 1.791 -1.482 529 HB3 GLU 75 1HB GLU 75 16.770 2.816 -2.102 530 HG2 GLU 75 2HG GLU 75 14.850 3.716 0.020 531 HG3 GLU 75 1HG GLU 75 16.344 2.864 0.390 532 H SER 76 H SER 76 12.748 4.877 -3.258 533 HA SER 76 HA SER 76 10.860 3.906 -1.420 534 HB2 SER 76 2HB SER 76 9.170 4.963 -2.901 535 HB3 SER 76 1HB SER 76 10.550 6.029 -2.621 536 HG SER 76 HG SER 76 10.656 4.289 -4.755 537 H ASP 77 H ASP 77 10.096 1.906 -1.320 538 HA ASP 77 HA ASP 77 10.167 0.181 -3.624 539 HB2 ASP 77 2HB ASP 77 10.455 -0.483 -1.121 540 HB3 ASP 77 1HB ASP 77 8.697 -0.444 -1.073 541 H ILE 78 H ILE 78 7.824 1.955 -1.742 542 HA ILE 78 HA ILE 78 5.720 1.321 -3.697 543 HB ILE 78 HB ILE 78 5.435 2.695 -1.002 544 HG12 ILE 78 2HG1 ILE 78 6.148 0.419 -0.624 545 HG13 ILE 78 1HG1 ILE 78 4.455 0.576 -0.179 546 HG21 ILE 78 1HG2 ILE 78 3.662 3.277 -2.549 547 HG22 ILE 78 2HG2 ILE 78 3.035 2.247 -1.262 548 HG23 ILE 78 3HG2 ILE 78 3.342 1.570 -2.860 549 HD11 ILE 78 3HD1 ILE 78 3.846 -0.454 -2.350 550 HD12 ILE 78 1HD1 ILE 78 4.822 -1.510 -1.325 551 HD13 ILE 78 2HD1 ILE 78 5.561 -0.671 -2.684 552 H PHE 79 H PHE 79 5.353 2.849 -5.172 553 HA PHE 79 HA PHE 79 6.531 5.473 -4.826 554 HB2 PHE 79 2HB PHE 79 6.828 4.357 -6.995 555 HB3 PHE 79 1HB PHE 79 5.083 4.242 -7.187 556 HD1 PHE 79 2HD PHE 79 7.887 6.643 -6.938 557 HD2 PHE 79 1HD PHE 79 3.852 6.009 -8.137 558 HE1 PHE 79 2HE PHE 79 7.868 8.842 -8.038 559 HE2 PHE 79 1HE PHE 79 3.828 8.205 -9.231 560 HZ PHE 79 HZ PHE 79 5.835 9.623 -9.184 561 H LEU 80 H LEU 80 5.448 7.160 -4.137 562 HA LEU 80 HA LEU 80 2.484 7.280 -4.313 563 HB2 LEU 80 2HB LEU 80 4.231 8.343 -2.080 564 HB3 LEU 80 1HB LEU 80 2.489 8.426 -2.177 565 HG LEU 80 HG LEU 80 4.108 5.908 -1.770 566 HD11 LEU 80 1HD1 LEU 80 2.436 7.549 0.113 567 HD12 LEU 80 2HD1 LEU 80 4.191 7.355 0.165 568 HD13 LEU 80 3HD1 LEU 80 3.136 5.981 0.491 569 HD21 LEU 80 3HD2 LEU 80 1.986 5.507 -2.960 570 HD22 LEU 80 1HD2 LEU 80 1.120 6.341 -1.666 571 HD23 LEU 80 2HD2 LEU 80 1.974 4.837 -1.329 572 H ASP 81 H ASP 81 1.695 9.250 -4.937 573 HA ASP 81 HA ASP 81 3.660 11.377 -5.215 574 HB2 ASP 81 2HB ASP 81 3.355 10.317 -7.456 575 HB3 ASP 81 1HB ASP 81 1.639 10.708 -7.370 576 H ASP 82 H ASP 82 2.909 13.390 -4.845 577 HA ASP 82 HA ASP 82 0.179 14.067 -4.485 578 HB2 ASP 82 2HB ASP 82 0.626 12.796 -2.341 579 HB3 ASP 82 1HB ASP 82 1.975 13.874 -2.015 580 H VAL 83 H VAL 83 0.345 16.375 -3.305 581 HA VAL 83 HA VAL 83 2.031 18.000 -4.915 582 HB VAL 83 HB VAL 83 0.555 18.790 -2.385 583 HG11 VAL 83 1HG1 VAL 83 1.393 20.422 -4.777 584 HG12 VAL 83 2HG1 VAL 83 2.133 20.459 -3.179 585 HG13 VAL 83 3HG1 VAL 83 0.475 21.021 -3.395 586 HG21 VAL 83 3HG2 VAL 83 -1.335 19.430 -3.847 587 HG22 VAL 83 1HG2 VAL 83 -1.026 17.692 -3.859 588 HG23 VAL 83 2HG2 VAL 83 -0.496 18.687 -5.209 589 H THR 84 H THR 84 2.073 16.747 -1.613 590 HA THR 84 HA THR 84 4.901 17.312 -1.571 591 HB THR 84 HB THR 84 3.090 18.068 0.750 592 HG1 THR 84 1HG THR 84 3.856 19.316 -1.481 593 HG21 THR 84 3HG2 THR 84 5.144 18.999 1.734 594 HG22 THR 84 1HG2 THR 84 6.069 18.472 0.327 595 HG23 THR 84 2HG2 THR 84 5.362 17.278 1.408 596 H VAL 85 H VAL 85 5.553 15.300 -1.647 597 HA VAL 85 HA VAL 85 4.292 13.255 0.023 598 HB VAL 85 HB VAL 85 6.529 12.847 -1.939 599 HG11 VAL 85 1HG1 VAL 85 4.399 10.985 -0.919 600 HG12 VAL 85 2HG1 VAL 85 6.103 10.996 -0.463 601 HG13 VAL 85 3HG1 VAL 85 5.633 10.567 -2.108 602 HG21 VAL 85 3HG2 VAL 85 4.767 13.966 -3.182 603 HG22 VAL 85 1HG2 VAL 85 3.604 12.762 -2.627 604 HG23 VAL 85 2HG2 VAL 85 4.935 12.286 -3.684 605 H SER 86 H SER 86 5.444 12.427 1.718 606 HA SER 86 HA SER 86 7.855 13.725 2.519 607 HB2 SER 86 2HB SER 86 6.151 12.806 4.090 608 HB3 SER 86 1HB SER 86 6.600 11.181 3.590 609 HG SER 86 HG SER 86 7.908 11.446 5.279 610 H ARG 87 H ARG 87 9.886 12.817 2.580 611 HA ARG 87 HA ARG 87 10.557 11.088 0.487 612 HB2 ARG 87 2HB ARG 87 12.760 10.842 1.947 613 HB3 ARG 87 1HB ARG 87 12.414 12.283 1.016 614 HG2 ARG 87 2HG ARG 87 11.680 13.448 3.022 615 HG3 ARG 87 1HG ARG 87 11.897 11.977 3.984 616 HD2 ARG 87 2HD ARG 87 14.196 11.993 3.712 617 HD3 ARG 87 1HD ARG 87 14.121 13.073 2.336 618 HE ARG 87 HE ARG 87 13.265 14.665 4.311 619 HH11 ARG 87 1HH1 ARG 87 15.634 12.303 4.938 620 HH12 ARG 87 2HH1 ARG 87 16.986 13.326 5.153 621 HH21 ARG 87 1HH2 ARG 87 15.115 16.268 4.503 622 HH22 ARG 87 2HH2 ARG 87 16.659 15.686 4.939 623 H ARG 88 H ARG 88 10.208 10.534 3.911 624 HA ARG 88 HA ARG 88 9.416 7.839 3.235 625 HB2 ARG 88 2HB ARG 88 11.378 8.602 5.411 626 HB3 ARG 88 1HB ARG 88 10.489 7.086 5.439 627 HG2 ARG 88 2HG ARG 88 11.513 6.424 3.327 628 HG3 ARG 88 1HG ARG 88 12.365 7.961 3.246 629 HD2 ARG 88 2HD ARG 88 13.798 6.131 4.047 630 HD3 ARG 88 1HD ARG 88 13.625 7.421 5.232 631 HE ARG 88 HE ARG 88 12.254 4.812 5.349 632 HH11 ARG 88 1HH1 ARG 88 13.607 7.668 6.971 633 HH12 ARG 88 2HH1 ARG 88 13.488 7.028 8.538 634 HH21 ARG 88 1HH2 ARG 88 12.108 3.868 7.539 635 HH22 ARG 88 2HH2 ARG 88 12.647 4.808 8.849 636 H HIS 89 H HIS 89 7.424 7.690 3.772 637 HA HIS 89 HA HIS 89 6.380 9.467 5.854 638 HB2 HIS 89 2HB HIS 89 5.329 9.535 3.586 639 HB3 HIS 89 1HB HIS 89 4.954 7.830 3.733 640 HD2 HIS 89 2HD HIS 89 2.979 7.297 5.838 641 HE1 HIS 89 1HE HIS 89 1.308 11.097 5.381 642 HE2 HIS 89 2HE HIS 89 1.213 8.835 6.574 643 H ALA 90 H ALA 90 6.213 6.096 4.728 644 HA ALA 90 HA ALA 90 6.156 5.169 7.459 645 HB1 ALA 90 1HB ALA 90 3.777 5.605 7.042 646 HB2 ALA 90 2HB ALA 90 4.089 3.873 7.161 647 HB3 ALA 90 3HB ALA 90 3.848 4.619 5.581 648 H GLU 91 H GLU 91 6.313 2.799 7.489 649 HA GLU 91 HA GLU 91 6.948 1.640 4.951 650 HB2 GLU 91 2HB GLU 91 8.971 0.484 5.870 651 HB3 GLU 91 1HB GLU 91 9.164 2.211 5.663 652 HG2 GLU 91 2HG GLU 91 8.835 2.522 8.068 653 HG3 GLU 91 1HG GLU 91 8.664 0.779 8.256 654 H PHE 92 H PHE 92 6.744 -0.525 4.852 655 HA PHE 92 HA PHE 92 4.871 -1.582 6.824 656 HB2 PHE 92 2HB PHE 92 5.393 -2.488 3.978 657 HB3 PHE 92 1HB PHE 92 4.106 -3.038 5.037 658 HD1 PHE 92 1HD PHE 92 2.270 -1.504 5.623 659 HD2 PHE 92 2HD PHE 92 5.168 -0.491 2.694 660 HE1 PHE 92 1HE PHE 92 0.774 0.249 4.757 661 HE2 PHE 92 2HE PHE 92 3.684 1.259 1.823 662 HZ PHE 92 HZ PHE 92 1.484 1.635 2.854 663 H ARG 93 H ARG 93 5.411 -3.350 7.839 664 HA ARG 93 HA ARG 93 8.011 -4.563 7.254 665 HB2 ARG 93 2HB ARG 93 6.633 -3.858 9.814 666 HB3 ARG 93 1HB ARG 93 7.864 -5.109 9.768 667 HG2 ARG 93 2HG ARG 93 9.544 -3.579 9.207 668 HG3 ARG 93 1HG ARG 93 8.373 -2.351 8.730 669 HD2 ARG 93 2HD ARG 93 9.555 -2.098 11.008 670 HD3 ARG 93 1HD ARG 93 7.821 -1.828 10.909 671 HE ARG 93 HE ARG 93 7.659 -4.240 11.694 672 HH11 ARG 93 1HH1 ARG 93 10.444 -2.278 12.625 673 HH12 ARG 93 2HH1 ARG 93 10.492 -2.859 14.220 674 HH21 ARG 93 1HH2 ARG 93 7.699 -5.019 13.805 675 HH22 ARG 93 2HH2 ARG 93 8.924 -4.511 14.911 676 H ILE 94 H ILE 94 7.776 -6.609 6.658 677 HA ILE 94 HA ILE 94 5.497 -8.110 7.755 678 HB ILE 94 HB ILE 94 6.846 -8.548 5.062 679 HG12 ILE 94 2HG1 ILE 94 4.101 -7.426 5.681 680 HG13 ILE 94 1HG1 ILE 94 5.471 -6.510 5.073 681 HG21 ILE 94 1HG2 ILE 94 5.050 -10.176 4.667 682 HG22 ILE 94 2HG2 ILE 94 4.429 -9.877 6.293 683 HG23 ILE 94 3HG2 ILE 94 6.023 -10.604 6.079 684 HD11 ILE 94 3HD1 ILE 94 3.895 -7.012 3.300 685 HD12 ILE 94 1HD1 ILE 94 4.058 -8.737 3.630 686 HD13 ILE 94 2HD1 ILE 94 5.435 -7.825 3.016 687 H ASN 95 H ASN 95 6.339 -9.441 9.222 688 HA ASN 95 HA ASN 95 8.857 -10.779 8.594 689 HB2 ASN 95 2HB ASN 95 8.364 -9.349 11.216 690 HB3 ASN 95 1HB ASN 95 9.738 -10.383 10.864 691 HD21 ASN 95 1HD2 ASN 95 11.286 -9.629 9.349 692 HD22 ASN 95 2HD2 ASN 95 11.489 -7.953 9.026 693 H GLU 96 H GLU 96 8.676 -12.832 8.915 694 HA GLU 96 HA GLU 96 8.008 -14.857 9.609 695 HB2 GLU 96 2HB GLU 96 7.918 -13.330 12.220 696 HB3 GLU 96 1HB GLU 96 7.742 -15.072 12.130 697 HG2 GLU 96 2HG GLU 96 10.013 -14.525 12.759 698 HG3 GLU 96 1HG GLU 96 10.014 -15.232 11.152 699 H GLY 97 H GLY 97 5.933 -13.466 8.407 700 HA2 GLY 97 2HA GLY 97 3.726 -14.066 7.977 701 HA3 GLY 97 1HA GLY 97 3.675 -14.895 9.523 702 H GLU 98 H GLU 98 4.861 -11.919 10.308 703 HA GLU 98 HA GLU 98 2.211 -10.924 10.985 704 HB2 GLU 98 2HB GLU 98 4.981 -10.104 11.826 705 HB3 GLU 98 1HB GLU 98 3.475 -9.472 12.481 706 HG2 GLU 98 2HG GLU 98 4.281 -12.344 12.593 707 HG3 GLU 98 1HG GLU 98 4.647 -11.195 13.866 708 H PHE 99 H PHE 99 1.534 -8.955 10.275 709 HA PHE 99 HA PHE 99 3.205 -7.552 8.303 710 HB2 PHE 99 2HB PHE 99 0.166 -7.682 8.388 711 HB3 PHE 99 1HB PHE 99 1.161 -6.926 7.160 712 HD1 PHE 99 1HD PHE 99 -0.066 -10.121 8.485 713 HD2 PHE 99 2HD PHE 99 2.155 -8.210 5.400 714 HE1 PHE 99 1HE PHE 99 -0.175 -12.174 7.141 715 HE2 PHE 99 2HE PHE 99 2.058 -10.263 4.053 716 HZ PHE 99 HZ PHE 99 0.890 -12.252 4.921 717 H GLU 100 H GLU 100 3.783 -5.595 9.132 718 HA GLU 100 HA GLU 100 1.931 -4.199 10.962 719 HB2 GLU 100 2HB GLU 100 4.953 -4.196 11.046 720 HB3 GLU 100 1HB GLU 100 3.896 -3.283 12.103 721 HG2 GLU 100 2HG GLU 100 3.088 -5.347 13.096 722 HG3 GLU 100 1HG GLU 100 4.091 -6.287 11.986 723 H VAL 101 H VAL 101 1.714 -2.020 10.565 724 HA VAL 101 HA VAL 101 3.321 -0.840 8.384 725 HB VAL 101 HB VAL 101 0.774 0.267 9.585 726 HG11 VAL 101 1HG1 VAL 101 0.630 1.602 7.541 727 HG12 VAL 101 2HG1 VAL 101 2.151 0.898 6.995 728 HG13 VAL 101 3HG1 VAL 101 2.114 1.896 8.449 729 HG21 VAL 101 3HG2 VAL 101 -0.455 -0.545 7.580 730 HG22 VAL 101 1HG2 VAL 101 0.110 -1.824 8.655 731 HG23 VAL 101 2HG2 VAL 101 0.968 -1.497 7.150 732 H VAL 102 H VAL 102 4.859 0.523 9.238 733 HA VAL 102 HA VAL 102 4.105 1.806 11.710 734 HB VAL 102 HB VAL 102 6.512 1.960 12.338 735 HG11 VAL 102 1HG1 VAL 102 5.482 -0.852 11.975 736 HG12 VAL 102 2HG1 VAL 102 5.132 0.227 13.324 737 HG13 VAL 102 3HG1 VAL 102 6.773 -0.375 13.079 738 HG21 VAL 102 3HG2 VAL 102 6.943 0.056 10.037 739 HG22 VAL 102 1HG2 VAL 102 8.151 0.464 11.257 740 HG23 VAL 102 2HG2 VAL 102 7.549 1.705 10.157 741 H ASP 103 H ASP 103 4.212 3.918 11.726 742 HA ASP 103 HA ASP 103 4.807 5.377 9.316 743 HB2 ASP 103 2HB ASP 103 2.915 5.974 10.809 744 HB3 ASP 103 1HB ASP 103 4.060 6.335 12.089 745 H VAL 104 H VAL 104 6.543 6.731 9.009 746 HA VAL 104 HA VAL 104 8.532 6.837 11.152 747 HB VAL 104 HB VAL 104 10.377 6.610 9.487 748 HG11 VAL 104 1HG1 VAL 104 8.513 4.246 9.637 749 HG12 VAL 104 2HG1 VAL 104 9.757 4.686 10.808 750 HG13 VAL 104 3HG1 VAL 104 10.219 4.177 9.185 751 HG21 VAL 104 3HG2 VAL 104 8.184 5.782 7.581 752 HG22 VAL 104 1HG2 VAL 104 9.915 5.658 7.273 753 HG23 VAL 104 2HG2 VAL 104 9.163 7.242 7.463 754 H GLY 105 H GLY 105 6.477 8.624 9.650 755 HA2 GLY 105 2HA GLY 105 7.570 11.058 10.063 756 HA3 GLY 105 1HA GLY 105 8.102 10.636 8.439 757 H SER 106 H SER 106 5.244 10.947 10.474 758 HA SER 106 HA SER 106 3.313 10.875 8.448 759 HB2 SER 106 2HB SER 106 3.168 12.370 11.076 760 HB3 SER 106 1HB SER 106 1.808 11.887 10.072 761 HG SER 106 HG SER 106 3.154 9.691 10.502 762 H LEU 107 H LEU 107 4.228 12.233 6.776 763 HA LEU 107 HA LEU 107 4.191 15.076 7.367 764 HB2 LEU 107 2HB LEU 107 5.937 14.105 5.858 765 HB3 LEU 107 1HB LEU 107 4.635 13.660 4.768 766 HG LEU 107 HG LEU 107 4.999 16.570 5.395 767 HD11 LEU 107 1HD1 LEU 107 6.617 15.025 3.379 768 HD12 LEU 107 2HD1 LEU 107 7.262 15.734 4.862 769 HD13 LEU 107 3HD1 LEU 107 6.617 16.776 3.590 770 HD21 LEU 107 3HD2 LEU 107 4.204 16.811 3.128 771 HD22 LEU 107 1HD2 LEU 107 3.113 15.765 4.033 772 HD23 LEU 107 2HD2 LEU 107 4.256 15.060 2.889 773 H ASN 108 H ASN 108 2.495 12.797 5.252 774 HA ASN 108 HA ASN 108 0.454 14.836 4.769 775 HB2 ASN 108 2HB ASN 108 1.521 12.846 3.162 776 HB3 ASN 108 1HB ASN 108 -0.008 12.137 3.661 777 HD21 ASN 108 1HD2 ASN 108 1.538 14.570 1.691 778 HD22 ASN 108 2HD2 ASN 108 0.126 15.089 0.891 779 H GLY 109 H GLY 109 1.061 12.109 6.774 780 HA2 GLY 109 2HA GLY 109 -0.216 11.747 8.766 781 HA3 GLY 109 1HA GLY 109 -1.635 12.351 7.924 782 H THR 110 H THR 110 -0.114 9.550 9.022 783 HA THR 110 HA THR 110 -1.176 7.821 6.985 784 HB THR 110 HB THR 110 0.063 7.141 9.664 785 HG1 THR 110 1HG THR 110 1.956 7.666 8.757 786 HG21 THR 110 3HG2 THR 110 0.653 5.038 8.532 787 HG22 THR 110 1HG2 THR 110 -0.123 5.606 7.054 788 HG23 THR 110 2HG2 THR 110 -1.093 5.282 8.491 789 H TYR 111 H TYR 111 -3.187 6.899 7.079 790 HA TYR 111 HA TYR 111 -4.505 6.671 9.681 791 HB2 TYR 111 2HB TYR 111 -5.797 7.588 7.087 792 HB3 TYR 111 1HB TYR 111 -6.657 7.298 8.593 793 HD1 TYR 111 1HD TYR 111 -6.458 8.934 10.426 794 HD2 TYR 111 2HD TYR 111 -4.530 9.581 6.693 795 HE1 TYR 111 1HE TYR 111 -6.123 11.297 11.010 796 HE2 TYR 111 2HE TYR 111 -4.188 11.944 7.273 797 HH TYR 111 HH TYR 111 -5.018 13.626 8.721 798 H VAL 112 H VAL 112 -5.153 4.612 9.964 799 HA VAL 112 HA VAL 112 -5.628 2.925 7.588 800 HB VAL 112 HB VAL 112 -4.263 1.947 10.126 801 HG11 VAL 112 1HG1 VAL 112 -4.730 0.589 7.478 802 HG12 VAL 112 2HG1 VAL 112 -5.513 0.215 9.011 803 HG13 VAL 112 3HG1 VAL 112 -3.785 -0.088 8.804 804 HG21 VAL 112 3HG2 VAL 112 -2.715 3.422 8.937 805 HG22 VAL 112 1HG2 VAL 112 -2.981 2.513 7.450 806 HG23 VAL 112 2HG2 VAL 112 -2.183 1.747 8.822 807 H ASN 113 H ASN 113 -7.495 1.690 7.799 808 HA ASN 113 HA ASN 113 -9.583 1.231 8.528 809 HB2 ASN 113 2HB ASN 113 -8.085 -0.344 9.922 810 HB3 ASN 113 1HB ASN 113 -8.298 0.781 11.256 811 HD21 ASN 113 1HD2 ASN 113 -9.828 -1.569 9.206 812 HD22 ASN 113 2HD2 ASN 113 -11.267 -1.790 10.132 813 H ARG 114 H ARG 114 -9.046 3.848 8.421 814 HA ARG 114 HA ARG 114 -9.885 5.927 8.833 815 HB2 ARG 114 2HB ARG 114 -11.708 4.730 10.913 816 HB3 ARG 114 1HB ARG 114 -11.946 6.193 9.980 817 HG2 ARG 114 2HG ARG 114 -12.055 3.375 8.933 818 HG3 ARG 114 1HG ARG 114 -13.431 4.396 9.286 819 HD2 ARG 114 2HD ARG 114 -12.467 5.988 7.526 820 HD3 ARG 114 1HD ARG 114 -11.408 4.647 7.078 821 HE ARG 114 HE ARG 114 -14.328 4.368 7.151 822 HH11 ARG 114 1HH1 ARG 114 -11.317 3.911 5.293 823 HH12 ARG 114 2HH1 ARG 114 -12.129 3.131 4.003 824 HH21 ARG 114 1HH2 ARG 114 -15.360 3.336 5.387 825 HH22 ARG 114 2HH2 ARG 114 -14.469 2.795 4.062 826 H GLU 115 H GLU 115 -7.928 4.428 10.883 827 HA GLU 115 HA GLU 115 -8.201 6.309 13.102 828 HB2 GLU 115 2HB GLU 115 -6.849 3.665 12.765 829 HB3 GLU 115 1HB GLU 115 -6.381 4.747 14.062 830 HG2 GLU 115 2HG GLU 115 -9.176 3.741 13.620 831 HG3 GLU 115 1HG GLU 115 -8.004 2.996 14.711 832 HA PRO 116 HA PRO 116 -4.373 8.380 11.647 833 HB2 PRO 116 2HB PRO 116 -4.095 9.788 14.040 834 HB3 PRO 116 1HB PRO 116 -4.972 10.405 12.641 835 HG2 PRO 116 2HG PRO 116 -6.006 9.165 15.140 836 HG3 PRO 116 1HG PRO 116 -6.720 10.439 14.140 837 HD2 PRO 116 2HD PRO 116 -7.602 7.885 14.130 838 HD3 PRO 116 1HD PRO 116 -7.697 8.928 12.700 839 H ARG 117 H ARG 117 -2.428 7.278 11.984 840 HA ARG 117 HA ARG 117 -2.160 5.957 14.566 841 HB2 ARG 117 2HB ARG 117 -3.612 4.635 12.990 842 HB3 ARG 117 1HB ARG 117 -2.185 4.410 11.998 843 HG2 ARG 117 2HG ARG 117 -2.686 2.516 13.410 844 HG3 ARG 117 1HG ARG 117 -1.099 3.211 13.813 845 HD2 ARG 117 2HD ARG 117 -2.070 4.300 15.729 846 HD3 ARG 117 1HD ARG 117 -3.677 3.796 15.232 847 HE ARG 117 HE ARG 117 -1.761 1.707 15.690 848 HH11 ARG 117 1HH1 ARG 117 -4.444 3.602 17.033 849 HH12 ARG 117 2HH1 ARG 117 -4.753 2.492 18.289 850 HH21 ARG 117 1HH2 ARG 117 -2.234 0.195 17.391 851 HH22 ARG 117 2HH2 ARG 117 -3.458 0.534 18.513 852 H ASN 118 H ASN 118 -0.069 5.132 14.963 853 HA ASN 118 HA ASN 118 1.987 6.027 13.081 854 HB2 ASN 118 2HB ASN 118 2.014 6.850 15.480 855 HB3 ASN 118 1HB ASN 118 2.341 5.205 15.955 856 HD21 ASN 118 1HD2 ASN 118 3.688 7.969 14.288 857 HD22 ASN 118 2HD2 ASN 118 5.317 7.411 14.274 858 H ALA 119 H ALA 119 0.801 3.320 14.981 859 HA ALA 119 HA ALA 119 2.207 1.567 13.104 860 HB1 ALA 119 1HB ALA 119 2.999 0.076 14.878 861 HB2 ALA 119 2HB ALA 119 2.331 1.156 16.097 862 HB3 ALA 119 3HB ALA 119 3.672 1.695 15.085 863 H GLN 120 H GLN 120 1.096 -0.135 12.538 864 HA GLN 120 HA GLN 120 -1.358 -0.925 13.967 865 HB2 GLN 120 2HB GLN 120 -2.129 0.931 12.635 866 HB3 GLN 120 1HB GLN 120 -1.344 0.305 11.203 867 HG2 GLN 120 2HG GLN 120 -3.713 -0.032 11.033 868 HG3 GLN 120 1HG GLN 120 -2.916 -1.590 11.200 869 HE21 GLN 120 1HE2 GLN 120 -4.711 -2.604 11.910 870 HE22 GLN 120 2HE2 GLN 120 -5.419 -2.348 13.465 871 H VAL 121 H VAL 121 -1.934 -3.053 13.502 872 HA VAL 121 HA VAL 121 -0.151 -4.632 11.936 873 HB VAL 121 HB VAL 121 -2.909 -5.313 13.046 874 HG11 VAL 121 1HG1 VAL 121 -0.766 -7.163 11.981 875 HG12 VAL 121 2HG1 VAL 121 -2.301 -6.805 11.194 876 HG13 VAL 121 3HG1 VAL 121 -2.279 -7.667 12.732 877 HG21 VAL 121 3HG2 VAL 121 -1.663 -6.507 14.788 878 HG22 VAL 121 1HG2 VAL 121 -1.323 -4.776 14.798 879 HG23 VAL 121 2HG2 VAL 121 -0.154 -5.900 14.108 880 H MET 122 H MET 122 -0.340 -5.188 9.843 881 HA MET 122 HA MET 122 -2.320 -3.681 8.327 882 HB2 MET 122 2HB MET 122 0.078 -3.570 7.680 883 HB3 MET 122 1HB MET 122 0.063 -5.298 7.416 884 HG2 MET 122 2HG MET 122 -1.381 -5.079 5.538 885 HG3 MET 122 1HG MET 122 -1.658 -3.375 5.885 886 HE1 MET 122 3HE MET 122 1.098 -6.027 4.889 887 HE2 MET 122 1HE MET 122 1.883 -5.127 6.188 888 HE3 MET 122 2HE MET 122 2.473 -4.981 4.534 889 H GLN 123 H GLN 123 -3.993 -4.596 7.360 890 HA GLN 123 HA GLN 123 -4.181 -7.477 7.404 891 HB2 GLN 123 2HB GLN 123 -6.561 -7.121 8.251 892 HB3 GLN 123 1HB GLN 123 -5.253 -6.879 9.398 893 HG2 GLN 123 2HG GLN 123 -5.425 -4.391 8.812 894 HG3 GLN 123 1HG GLN 123 -6.949 -4.818 8.040 895 HE21 GLN 123 1HE2 GLN 123 -8.110 -3.513 9.478 896 HE22 GLN 123 2HE2 GLN 123 -8.352 -3.976 11.123 897 H THR 124 H THR 124 -5.457 -8.394 5.807 898 HA THR 124 HA THR 124 -5.619 -6.805 3.447 899 HB THR 124 HB THR 124 -4.834 -9.093 3.217 900 HG1 THR 124 1HG THR 124 -7.394 -9.063 2.024 901 HG21 THR 124 3HG2 THR 124 -7.560 -9.941 4.194 902 HG22 THR 124 1HG2 THR 124 -6.030 -10.164 5.038 903 HG23 THR 124 2HG2 THR 124 -6.339 -11.026 3.531 904 H GLY 125 H GLY 125 -7.277 -5.994 2.430 905 HA2 GLY 125 2HA GLY 125 -9.562 -5.737 1.877 906 HA3 GLY 125 1HA GLY 125 -9.994 -6.458 3.425 907 H ASP 126 H ASP 126 -7.582 -4.576 4.239 908 HA ASP 126 HA ASP 126 -9.391 -2.523 5.186 909 HB2 ASP 126 2HB ASP 126 -7.466 -3.858 6.473 910 HB3 ASP 126 1HB ASP 126 -6.564 -2.416 6.002 911 H GLU 127 H GLU 127 -8.775 -0.287 5.162 912 HA GLU 127 HA GLU 127 -7.431 0.347 2.627 913 HB2 GLU 127 2HB GLU 127 -9.565 1.928 4.051 914 HB3 GLU 127 1HB GLU 127 -8.762 2.404 2.570 915 HG2 GLU 127 2HG GLU 127 -9.715 0.336 1.518 916 HG3 GLU 127 1HG GLU 127 -10.659 0.120 2.992 917 H ILE 128 H ILE 128 -5.740 1.536 2.719 918 HA ILE 128 HA ILE 128 -4.991 2.818 5.240 919 HB ILE 128 HB ILE 128 -3.286 1.882 2.902 920 HG12 ILE 128 2HG1 ILE 128 -3.522 0.740 5.699 921 HG13 ILE 128 1HG1 ILE 128 -4.216 0.023 4.249 922 HG21 ILE 128 1HG2 ILE 128 -1.358 2.410 4.354 923 HG22 ILE 128 2HG2 ILE 128 -2.460 3.092 5.552 924 HG23 ILE 128 3HG2 ILE 128 -2.315 3.839 3.963 925 HD11 ILE 128 3HD1 ILE 128 -1.289 0.413 4.820 926 HD12 ILE 128 1HD1 ILE 128 -1.958 -0.315 3.358 927 HD13 ILE 128 2HD1 ILE 128 -2.175 -1.111 4.919 928 H GLN 129 H GLN 129 -5.124 4.871 5.197 929 HA GLN 129 HA GLN 129 -5.298 6.283 2.661 930 HB2 GLN 129 2HB GLN 129 -7.276 6.516 4.010 931 HB3 GLN 129 1HB GLN 129 -6.333 6.909 5.424 932 HG2 GLN 129 2HG GLN 129 -5.624 9.006 4.344 933 HG3 GLN 129 1HG GLN 129 -6.624 8.599 2.948 934 HE21 GLN 129 1HE2 GLN 129 -6.766 10.844 4.755 935 HE22 GLN 129 2HE2 GLN 129 -8.338 10.832 5.486 936 H ILE 130 H ILE 130 -3.603 7.387 2.149 937 HA ILE 130 HA ILE 130 -1.784 8.211 4.268 938 HB ILE 130 HB ILE 130 -1.222 7.713 1.315 939 HG12 ILE 130 2HG1 ILE 130 -0.305 6.214 3.789 940 HG13 ILE 130 1HG1 ILE 130 -1.493 5.650 2.622 941 HG21 ILE 130 1HG2 ILE 130 0.664 8.591 3.512 942 HG22 ILE 130 2HG2 ILE 130 0.115 9.580 2.157 943 HG23 ILE 130 3HG2 ILE 130 1.135 8.172 1.866 944 HD11 ILE 130 3HD1 ILE 130 0.253 5.574 0.903 945 HD12 ILE 130 1HD1 ILE 130 0.646 4.563 2.292 946 HD13 ILE 130 2HD1 ILE 130 1.430 6.128 2.089 947 H GLY 131 H GLY 131 -2.423 10.112 4.782 948 HA2 GLY 131 2HA GLY 131 -2.897 12.300 4.657 949 HA3 GLY 131 1HA GLY 131 -2.304 12.271 3.003 950 H LYS 132 H LYS 132 -3.668 12.434 1.446 951 HA LYS 132 HA LYS 132 -6.498 12.168 2.105 952 HB2 LYS 132 2HB LYS 132 -6.922 14.016 0.426 953 HB3 LYS 132 1HB LYS 132 -6.150 14.477 1.932 954 HG2 LYS 132 2HG LYS 132 -3.950 14.378 0.698 955 HG3 LYS 132 1HG LYS 132 -4.885 14.237 -0.787 956 HD2 LYS 132 2HD LYS 132 -5.128 16.497 1.212 957 HD3 LYS 132 1HD LYS 132 -4.203 16.575 -0.281 958 HE2 LYS 132 2HE LYS 132 -7.183 16.066 -0.135 959 HE3 LYS 132 1HE LYS 132 -6.460 17.646 -0.404 960 HZ1 LYS 132 3HZ LYS 132 -7.151 16.570 -2.467 961 HZ2 LYS 132 1HZ LYS 132 -6.084 15.298 -2.185 962 HZ3 LYS 132 2HZ LYS 132 -5.506 16.856 -2.450 963 H PHE 133 H PHE 133 -4.340 10.455 0.587 964 HA PHE 133 HA PHE 133 -6.322 9.683 -1.352 965 HB2 PHE 133 2HB PHE 133 -4.529 8.933 -2.900 966 HB3 PHE 133 1HB PHE 133 -4.592 10.671 -2.703 967 HD1 PHE 133 1HD PHE 133 -2.813 11.704 -1.133 968 HD2 PHE 133 2HD PHE 133 -2.578 7.757 -2.703 969 HE1 PHE 133 1HE PHE 133 -0.382 11.721 -0.796 970 HE2 PHE 133 2HE PHE 133 -0.148 7.764 -2.361 971 HZ PHE 133 HZ PHE 133 0.960 9.751 -1.421 972 H ARG 134 H ARG 134 -6.070 7.278 -2.006 973 HA ARG 134 HA ARG 134 -5.457 5.891 0.499 974 HB2 ARG 134 2HB ARG 134 -8.100 5.796 -0.908 975 HB3 ARG 134 1HB ARG 134 -7.598 4.603 0.280 976 HG2 ARG 134 2HG ARG 134 -7.339 6.400 1.930 977 HG3 ARG 134 1HG ARG 134 -7.935 7.551 0.732 978 HD2 ARG 134 2HD ARG 134 -10.046 6.402 0.624 979 HD3 ARG 134 1HD ARG 134 -9.450 5.146 1.714 980 HE ARG 134 HE ARG 134 -9.116 7.445 3.112 981 HH11 ARG 134 1HH1 ARG 134 -11.897 5.916 1.572 982 HH12 ARG 134 2HH1 ARG 134 -13.042 6.552 2.641 983 HH21 ARG 134 1HH2 ARG 134 -10.599 8.277 4.613 984 HH22 ARG 134 2HH2 ARG 134 -12.281 7.942 4.488 985 H LEU 135 H LEU 135 -4.885 3.875 0.470 986 HA LEU 135 HA LEU 135 -4.714 2.463 -2.076 987 HB2 LEU 135 2HB LEU 135 -2.734 2.419 0.228 988 HB3 LEU 135 1HB LEU 135 -2.631 1.434 -1.207 989 HG LEU 135 HG LEU 135 -2.351 3.628 -2.499 990 HD11 LEU 135 1HD1 LEU 135 -1.421 5.526 -1.281 991 HD12 LEU 135 2HD1 LEU 135 -1.770 4.709 0.245 992 HD13 LEU 135 3HD1 LEU 135 -3.091 5.191 -0.818 993 HD21 LEU 135 3HD2 LEU 135 -0.535 2.090 -2.169 994 HD22 LEU 135 1HD2 LEU 135 -0.228 2.742 -0.558 995 HD23 LEU 135 2HD2 LEU 135 0.045 3.743 -1.985 996 H VAL 136 H VAL 136 -5.373 0.333 -1.893 997 HA VAL 136 HA VAL 136 -6.363 -0.402 0.773 998 HB VAL 136 HB VAL 136 -7.434 -1.476 -1.862 999 HG11 VAL 136 1HG1 VAL 136 -7.859 -2.906 0.055 1000 HG12 VAL 136 2HG1 VAL 136 -9.363 -2.182 -0.512 1001 HG13 VAL 136 3HG1 VAL 136 -8.571 -1.554 0.932 1002 HG21 VAL 136 3HG2 VAL 136 -9.365 0.027 -1.592 1003 HG22 VAL 136 1HG2 VAL 136 -7.856 0.924 -1.786 1004 HG23 VAL 136 2HG2 VAL 136 -8.581 0.764 -0.192 1005 H PHE 137 H PHE 137 -5.805 -2.392 1.542 1006 HA PHE 137 HA PHE 137 -3.628 -3.718 0.085 1007 HB2 PHE 137 2HB PHE 137 -3.105 -2.816 2.314 1008 HB3 PHE 137 1HB PHE 137 -4.414 -3.757 3.009 1009 HD1 PHE 137 1HD PHE 137 -1.259 -4.190 1.073 1010 HD2 PHE 137 2HD PHE 137 -3.910 -5.772 3.986 1011 HE1 PHE 137 1HE PHE 137 0.343 -5.986 1.548 1012 HE2 PHE 137 2HE PHE 137 -2.318 -7.579 4.466 1013 HZ PHE 137 HZ PHE 137 -0.188 -7.684 3.252 1014 H LEU 138 H LEU 138 -4.163 -5.577 -0.920 1015 HA LEU 138 HA LEU 138 -6.333 -7.225 0.215 1016 HB2 LEU 138 2HB LEU 138 -5.963 -6.674 -2.739 1017 HB3 LEU 138 1HB LEU 138 -7.062 -7.838 -2.064 1018 HG LEU 138 HG LEU 138 -8.378 -6.093 -2.766 1019 HD11 LEU 138 1HD1 LEU 138 -9.074 -6.813 -0.626 1020 HD12 LEU 138 2HD1 LEU 138 -9.374 -5.084 -0.801 1021 HD13 LEU 138 3HD1 LEU 138 -8.009 -5.649 0.161 1022 HD21 LEU 138 3HD2 LEU 138 -6.694 -4.439 -3.209 1023 HD22 LEU 138 1HD2 LEU 138 -6.477 -4.149 -1.483 1024 HD23 LEU 138 2HD2 LEU 138 -7.998 -3.723 -2.267 1025 H ALA 139 H ALA 139 -6.109 -9.398 -0.154 1026 HA ALA 139 HA ALA 139 -3.557 -10.413 -0.956 1027 HB1 ALA 139 1HB ALA 139 -4.665 -12.612 -0.747 1028 HB2 ALA 139 2HB ALA 139 -6.214 -11.798 -0.537 1029 HB3 ALA 139 3HB ALA 139 -4.947 -11.610 0.676 1030 H GLY 140 H GLY 140 -2.984 -10.855 -3.034 1031 HA2 GLY 140 2HA GLY 140 -5.066 -10.462 -5.052 1032 HA3 GLY 140 1HA GLY 140 -3.343 -10.192 -5.287 1033 HA PRO 141 HA PRO 141 -3.508 -14.233 -7.151 1034 HB2 PRO 141 2HB PRO 141 -0.611 -14.207 -7.130 1035 HB3 PRO 141 1HB PRO 141 -1.697 -14.194 -8.514 1036 HG2 PRO 141 2HG PRO 141 -0.189 -12.037 -7.816 1037 HG3 PRO 141 1HG PRO 141 -1.757 -11.902 -8.625 1038 HD2 PRO 141 2HD PRO 141 -1.063 -11.476 -5.759 1039 HD3 PRO 141 1HD PRO 141 -2.237 -10.634 -6.797 1040 H ALA 142 H ALA 142 -3.359 -16.230 -6.401 1041 HA ALA 142 HA ALA 142 -1.899 -16.678 -3.897 1042 HB1 ALA 142 1HB ALA 142 -3.491 -18.514 -3.488 1043 HB2 ALA 142 2HB ALA 142 -4.292 -18.154 -5.018 1044 HB3 ALA 142 3HB ALA 142 -4.333 -16.979 -3.701 1045 H GLU 143 H GLU 143 -1.136 -16.758 -6.791 1046 HA GLU 143 HA GLU 143 -0.668 -19.376 -7.639 1047 HB2 GLU 143 2HB GLU 143 0.488 -16.697 -8.360 1048 HB3 GLU 143 1HB GLU 143 0.767 -18.181 -9.247 1049 HG2 GLU 143 2HG GLU 143 -1.526 -18.324 -9.884 1050 HG3 GLU 143 1HG GLU 143 -1.968 -17.013 -8.792 Start of MODEL 20 1 H1 MET 1 1HT MET 1 40.635 -8.446 5.009 2 H2 MET 1 2HT MET 1 39.004 -8.253 5.464 3 H3 MET 1 3HT MET 1 40.175 -7.256 6.120 4 HA MET 1 HA MET 1 40.608 -6.233 4.037 5 HB2 MET 1 2HB MET 1 39.339 -6.755 2.068 6 HB3 MET 1 1HB MET 1 39.897 -8.292 2.681 7 HG2 MET 1 2HG MET 1 37.123 -7.150 2.994 8 HG3 MET 1 1HG MET 1 37.615 -8.420 1.879 9 HE1 MET 1 2HE MET 1 35.314 -10.289 4.424 10 HE2 MET 1 3HE MET 1 35.626 -9.932 2.725 11 HE3 MET 1 1HE MET 1 35.129 -8.641 3.822 12 H SER 2 H SER 2 38.693 -4.674 3.011 13 HA SER 2 HA SER 2 37.385 -3.750 5.357 14 HB2 SER 2 2HB SER 2 36.560 -1.956 3.761 15 HB3 SER 2 1HB SER 2 38.311 -2.072 3.936 16 HG SER 2 HG SER 2 38.255 -2.178 1.869 17 H ASP 3 H ASP 3 35.312 -3.974 5.859 18 HA ASP 3 HA ASP 3 33.685 -5.694 4.197 19 HB2 ASP 3 2HB ASP 3 33.759 -6.067 6.649 20 HB3 ASP 3 1HB ASP 3 33.139 -4.441 6.892 21 H ASN 4 H ASN 4 32.847 -4.704 2.576 22 HA ASN 4 HA ASN 4 32.427 -1.853 2.754 23 HB2 ASN 4 2HB ASN 4 32.652 -3.632 0.340 24 HB3 ASN 4 1HB ASN 4 32.237 -1.922 0.256 25 HD21 ASN 4 1HD2 ASN 4 34.761 -4.226 0.830 26 HD22 ASN 4 2HD2 ASN 4 36.040 -3.094 0.952 27 H ASN 5 H ASN 5 30.709 -1.065 3.194 28 HA ASN 5 HA ASN 5 28.315 -1.241 1.906 29 HB2 ASN 5 2HB ASN 5 26.898 -2.237 3.733 30 HB3 ASN 5 1HB ASN 5 27.945 -3.427 2.993 31 HD21 ASN 5 1HD2 ASN 5 27.734 -4.765 4.782 32 HD22 ASN 5 2HD2 ASN 5 28.558 -4.467 6.261 33 H GLY 6 H GLY 6 26.694 -0.193 3.964 34 HA2 GLY 6 2HA GLY 6 27.979 1.232 5.908 35 HA3 GLY 6 1HA GLY 6 28.074 2.222 4.460 36 H THR 7 H THR 7 26.847 3.731 5.577 37 HA THR 7 HA THR 7 24.037 3.036 5.711 38 HB THR 7 HB THR 7 24.829 3.665 7.905 39 HG1 THR 7 1HG THR 7 22.838 4.490 7.459 40 HG21 THR 7 3HG2 THR 7 25.933 5.815 8.400 41 HG22 THR 7 1HG2 THR 7 25.924 6.205 6.678 42 HG23 THR 7 2HG2 THR 7 26.874 4.847 7.274 43 HA PRO 8 HA PRO 8 24.218 5.532 1.973 44 HB2 PRO 8 2HB PRO 8 21.578 5.307 1.342 45 HB3 PRO 8 1HB PRO 8 22.754 4.029 1.017 46 HG2 PRO 8 2HG PRO 8 20.857 4.313 3.317 47 HG3 PRO 8 1HG PRO 8 21.190 2.878 2.332 48 HD2 PRO 8 2HD PRO 8 22.285 3.199 4.739 49 HD3 PRO 8 1HD PRO 8 23.214 2.469 3.407 50 H GLU 9 H GLU 9 24.128 7.695 1.915 51 HA GLU 9 HA GLU 9 22.394 9.084 3.757 52 HB2 GLU 9 2HB GLU 9 24.417 10.110 1.733 53 HB3 GLU 9 1HB GLU 9 23.577 11.118 2.907 54 HG2 GLU 9 2HG GLU 9 24.652 9.936 4.732 55 HG3 GLU 9 1HG GLU 9 25.428 8.844 3.597 56 HA PRO 10 HA PRO 10 19.507 8.967 0.381 57 HB2 PRO 10 2HB PRO 10 17.324 9.285 1.791 58 HB3 PRO 10 1HB PRO 10 18.366 7.890 2.103 59 HG2 PRO 10 2HG PRO 10 18.157 10.462 3.631 60 HG3 PRO 10 1HG PRO 10 18.235 8.803 4.252 61 HD2 PRO 10 2HD PRO 10 20.439 10.505 4.018 62 HD3 PRO 10 1HD PRO 10 20.490 8.733 4.120 63 H GLN 11 H GLN 11 17.214 10.347 0.291 64 HA GLN 11 HA GLN 11 18.012 13.080 -0.305 65 HB2 GLN 11 2HB GLN 11 16.820 11.735 -2.008 66 HB3 GLN 11 1HB GLN 11 15.509 11.475 -0.879 67 HG2 GLN 11 2HG GLN 11 14.858 13.121 -2.507 68 HG3 GLN 11 1HG GLN 11 15.016 13.890 -0.933 69 HE21 GLN 11 1HE2 GLN 11 15.132 14.979 -3.654 70 HE22 GLN 11 2HE2 GLN 11 16.643 15.813 -3.743 71 H VAL 12 H VAL 12 17.206 14.780 0.952 72 HA VAL 12 HA VAL 12 15.517 13.862 3.112 73 HB VAL 12 HB VAL 12 17.331 16.282 3.098 74 HG11 VAL 12 1HG1 VAL 12 15.694 15.111 5.347 75 HG12 VAL 12 2HG1 VAL 12 15.386 16.639 4.521 76 HG13 VAL 12 3HG1 VAL 12 16.837 16.446 5.503 77 HG21 VAL 12 3HG2 VAL 12 18.691 15.029 4.727 78 HG22 VAL 12 1HG2 VAL 12 18.608 14.202 3.171 79 HG23 VAL 12 2HG2 VAL 12 17.632 13.637 4.526 80 H GLU 13 H GLU 13 13.495 14.486 3.036 81 HA GLU 13 HA GLU 13 12.843 17.089 2.006 82 HB2 GLU 13 2HB GLU 13 11.395 14.490 1.429 83 HB3 GLU 13 1HB GLU 13 10.662 16.071 1.175 84 HG2 GLU 13 2HG GLU 13 12.532 16.641 -0.356 85 HG3 GLU 13 1HG GLU 13 13.146 15.009 -0.153 86 H THR 14 H THR 14 11.204 18.075 3.037 87 HA THR 14 HA THR 14 11.469 17.801 5.832 88 HB THR 14 HB THR 14 9.646 19.658 4.316 89 HG1 THR 14 1HG THR 14 12.042 20.670 5.056 90 HG21 THR 14 3HG2 THR 14 9.369 19.633 6.774 91 HG22 THR 14 1HG2 THR 14 10.075 21.151 6.220 92 HG23 THR 14 2HG2 THR 14 11.099 19.923 6.963 93 H TPO 15 H TPO 15 10.140 16.882 7.288 94 HA TPO 15 HA TPO 15 7.385 16.360 6.464 95 HB TPO 15 HB TPO 15 8.926 15.260 8.864 96 HG21 TPO 15 1HG2 TPO 15 6.133 14.598 7.896 97 HG22 TPO 15 2HG2 TPO 15 6.515 15.566 9.315 98 HG23 TPO 15 3HG2 TPO 15 6.969 13.859 9.268 99 H SER 16 H SER 16 5.980 17.763 7.057 100 HA SER 16 HA SER 16 6.379 19.484 9.379 101 HB2 SER 16 2HB SER 16 6.821 20.621 7.127 102 HB3 SER 16 1HB SER 16 5.163 20.247 6.687 103 HG SER 16 HG SER 16 5.609 21.653 9.086 104 H VAL 17 H VAL 17 4.196 20.124 10.284 105 HA VAL 17 HA VAL 17 2.453 17.835 10.096 106 HB VAL 17 HB VAL 17 2.127 20.404 11.680 107 HG11 VAL 17 1HG1 VAL 17 0.533 19.135 13.047 108 HG12 VAL 17 2HG1 VAL 17 0.722 17.758 11.961 109 HG13 VAL 17 3HG1 VAL 17 0.011 19.258 11.364 110 HG21 VAL 17 3HG2 VAL 17 3.224 17.738 12.562 111 HG22 VAL 17 1HG2 VAL 17 2.895 19.106 13.622 112 HG23 VAL 17 2HG2 VAL 17 4.136 19.235 12.376 113 H PHE 18 H PHE 18 1.054 17.752 8.493 114 HA PHE 18 HA PHE 18 -0.302 20.215 7.822 115 HB2 PHE 18 2HB PHE 18 -0.624 19.475 5.489 116 HB3 PHE 18 1HB PHE 18 1.074 19.623 5.885 117 HD1 PHE 18 2HD PHE 18 -1.672 17.247 5.237 118 HD2 PHE 18 1HD PHE 18 2.531 17.755 5.674 119 HE1 PHE 18 2HE PHE 18 -1.312 15.004 4.302 120 HE2 PHE 18 1HE PHE 18 2.899 15.518 4.726 121 HZ PHE 18 HZ PHE 18 0.971 14.137 4.042 122 H ARG 19 H ARG 19 -2.408 20.157 7.499 123 HA ARG 19 HA ARG 19 -3.774 17.749 8.378 124 HB2 ARG 19 2HB ARG 19 -5.088 19.184 9.956 125 HB3 ARG 19 1HB ARG 19 -3.388 19.067 10.372 126 HG2 ARG 19 2HG ARG 19 -3.122 21.282 9.108 127 HG3 ARG 19 1HG ARG 19 -4.876 21.399 9.216 128 HD2 ARG 19 2HD ARG 19 -2.905 21.217 11.492 129 HD3 ARG 19 1HD ARG 19 -3.892 22.606 11.050 130 HE ARG 19 HE ARG 19 -5.295 20.177 11.761 131 HH11 ARG 19 1HH1 ARG 19 -4.135 23.339 12.888 132 HH12 ARG 19 2HH1 ARG 19 -5.166 23.366 14.244 133 HH21 ARG 19 1HH2 ARG 19 -6.611 20.213 13.657 134 HH22 ARG 19 2HH2 ARG 19 -6.590 21.566 14.700 135 H ALA 20 H ALA 20 -5.812 17.540 7.427 136 HA ALA 20 HA ALA 20 -6.516 19.660 5.534 137 HB1 ALA 20 1HB ALA 20 -6.119 16.791 4.728 138 HB2 ALA 20 2HB ALA 20 -5.049 18.136 4.343 139 HB3 ALA 20 3HB ALA 20 -6.682 18.090 3.682 140 H ASP 21 H ASP 21 -8.546 19.039 4.288 141 HA ASP 21 HA ASP 21 -10.697 18.773 6.152 142 HB2 ASP 21 2HB ASP 21 -10.718 20.348 4.249 143 HB3 ASP 21 1HB ASP 21 -10.667 18.999 3.129 144 H LEU 22 H LEU 22 -8.857 16.537 4.680 145 HA LEU 22 HA LEU 22 -10.559 14.617 3.642 146 HB2 LEU 22 2HB LEU 22 -8.688 13.011 4.047 147 HB3 LEU 22 1HB LEU 22 -8.244 14.457 3.172 148 HG LEU 22 HG LEU 22 -7.415 15.321 5.477 149 HD11 LEU 22 1HD1 LEU 22 -7.426 12.378 6.052 150 HD12 LEU 22 2HD1 LEU 22 -8.370 13.617 6.876 151 HD13 LEU 22 3HD1 LEU 22 -6.612 13.619 7.004 152 HD21 LEU 22 3HD2 LEU 22 -5.959 13.119 4.039 153 HD22 LEU 22 1HD2 LEU 22 -5.230 14.289 5.137 154 HD23 LEU 22 2HD2 LEU 22 -5.944 14.834 3.622 155 H LEU 23 H LEU 23 -9.974 15.380 6.979 156 HA LEU 23 HA LEU 23 -10.798 12.948 8.143 157 HB2 LEU 23 2HB LEU 23 -10.848 15.765 9.185 158 HB3 LEU 23 1HB LEU 23 -11.201 14.355 10.154 159 HG LEU 23 HG LEU 23 -8.548 14.983 8.857 160 HD11 LEU 23 1HD1 LEU 23 -9.085 16.484 10.690 161 HD12 LEU 23 2HD1 LEU 23 -7.807 15.359 11.163 162 HD13 LEU 23 3HD1 LEU 23 -9.460 15.106 11.721 163 HD21 LEU 23 3HD2 LEU 23 -7.707 13.106 10.210 164 HD22 LEU 23 1HD2 LEU 23 -8.919 12.566 9.046 165 HD23 LEU 23 2HD2 LEU 23 -9.351 12.761 10.745 166 H LYS 24 H LYS 24 -12.493 15.650 6.819 167 HA LYS 24 HA LYS 24 -14.994 15.262 8.074 168 HB2 LYS 24 2HB LYS 24 -14.389 17.367 7.068 169 HB3 LYS 24 1HB LYS 24 -14.185 16.611 5.503 170 HG2 LYS 24 2HG LYS 24 -16.625 16.112 5.494 171 HG3 LYS 24 1HG LYS 24 -16.765 17.037 6.994 172 HD2 LYS 24 2HD LYS 24 -15.562 18.142 4.479 173 HD3 LYS 24 1HD LYS 24 -17.275 18.308 4.857 174 HE2 LYS 24 2HE LYS 24 -16.792 19.652 6.770 175 HE3 LYS 24 1HE LYS 24 -15.077 19.252 6.700 176 HZ1 LYS 24 3HZ LYS 24 -16.444 20.725 4.522 177 HZ2 LYS 24 1HZ LYS 24 -14.796 20.460 4.795 178 HZ3 LYS 24 2HZ LYS 24 -15.643 21.492 5.828 179 H GLU 25 H GLU 25 -13.642 14.240 4.987 180 HA GLU 25 HA GLU 25 -15.963 12.734 4.251 181 HB2 GLU 25 2HB GLU 25 -14.486 13.642 2.528 182 HB3 GLU 25 1HB GLU 25 -13.152 12.669 3.137 183 HG2 GLU 25 2HG GLU 25 -14.368 10.646 2.566 184 HG3 GLU 25 1HG GLU 25 -15.703 11.618 1.960 185 H MET 26 H MET 26 -12.953 12.100 5.883 186 HA MET 26 HA MET 26 -12.882 9.333 5.784 187 HB2 MET 26 2HB MET 26 -11.039 10.757 6.602 188 HB3 MET 26 1HB MET 26 -11.970 11.114 8.047 189 HG2 MET 26 2HG MET 26 -11.865 8.807 8.736 190 HG3 MET 26 1HG MET 26 -11.031 8.369 7.247 191 HE1 MET 26 3HE MET 26 -7.564 10.107 7.664 192 HE2 MET 26 1HE MET 26 -8.975 10.776 6.849 193 HE3 MET 26 2HE MET 26 -8.572 9.072 6.657 194 H GLU 27 H GLU 27 -14.770 11.441 7.789 195 HA GLU 27 HA GLU 27 -15.826 9.684 9.674 196 HB2 GLU 27 2HB GLU 27 -17.172 11.958 8.213 197 HB3 GLU 27 1HB GLU 27 -17.832 11.163 9.631 198 HG2 GLU 27 2HG GLU 27 -15.187 12.582 9.567 199 HG3 GLU 27 1HG GLU 27 -16.701 13.322 10.084 200 H SER 28 H SER 28 -16.993 10.401 6.380 201 HA SER 28 HA SER 28 -19.199 8.583 6.516 202 HB2 SER 28 2HB SER 28 -17.994 9.966 4.125 203 HB3 SER 28 1HB SER 28 -19.639 9.334 4.287 204 HG SER 28 HG SER 28 -19.743 10.808 6.150 205 H SER 29 H SER 29 -15.898 8.365 5.611 206 HA SER 29 HA SER 29 -16.264 6.026 3.961 207 HB2 SER 29 2HB SER 29 -14.414 7.632 3.515 208 HB3 SER 29 1HB SER 29 -13.713 7.237 5.081 209 HG SER 29 HG SER 29 -14.196 5.014 3.593 210 H THR 30 H THR 30 -16.078 6.686 7.270 211 HA THR 30 HA THR 30 -15.159 3.988 7.886 212 HB THR 30 HB THR 30 -15.173 6.470 9.618 213 HG1 THR 30 1HG THR 30 -13.596 6.832 8.305 214 HG21 THR 30 3HG2 THR 30 -13.875 3.766 10.063 215 HG22 THR 30 1HG2 THR 30 -15.299 4.357 10.923 216 HG23 THR 30 2HG2 THR 30 -13.744 5.162 11.130 217 H GLY 31 H GLY 31 -16.948 2.754 7.987 218 HA2 GLY 31 2HA GLY 31 -18.895 3.451 10.048 219 HA3 GLY 31 1HA GLY 31 -19.490 3.101 8.429 220 H THR 32 H THR 32 -18.062 1.054 7.585 221 HA THR 32 HA THR 32 -18.812 -1.086 9.423 222 HB THR 32 HB THR 32 -18.220 -1.252 6.455 223 HG1 THR 32 1HG THR 32 -20.110 -0.448 6.082 224 HG21 THR 32 3HG2 THR 32 -19.866 -3.010 8.301 225 HG22 THR 32 1HG2 THR 32 -18.251 -3.390 7.701 226 HG23 THR 32 2HG2 THR 32 -19.608 -3.279 6.580 227 H ALA 33 H ALA 33 -17.251 -2.617 10.002 228 HA ALA 33 HA ALA 33 -14.478 -1.980 9.614 229 HB1 ALA 33 1HB ALA 33 -15.274 -2.993 11.717 230 HB2 ALA 33 2HB ALA 33 -14.098 -4.049 10.937 231 HB3 ALA 33 3HB ALA 33 -15.820 -4.414 10.830 232 HA PRO 34 HA PRO 34 -13.753 -4.110 5.830 233 HB2 PRO 34 2HB PRO 34 -11.447 -5.562 6.362 234 HB3 PRO 34 1HB PRO 34 -11.481 -3.856 5.918 235 HG2 PRO 34 2HG PRO 34 -11.277 -5.101 8.629 236 HG3 PRO 34 1HG PRO 34 -10.431 -3.685 7.984 237 HD2 PRO 34 2HD PRO 34 -12.508 -3.410 9.638 238 HD3 PRO 34 1HD PRO 34 -12.269 -2.291 8.283 239 H ALA 35 H ALA 35 -14.327 -5.979 4.826 240 HA ALA 35 HA ALA 35 -14.621 -8.430 6.404 241 HB1 ALA 35 1HB ALA 35 -16.699 -7.281 4.525 242 HB2 ALA 35 2HB ALA 35 -16.804 -7.292 6.283 243 HB3 ALA 35 3HB ALA 35 -16.820 -8.812 5.396 244 H SER 36 H SER 36 -13.941 -10.222 5.335 245 HA SER 36 HA SER 36 -13.277 -9.931 2.496 246 HB2 SER 36 2HB SER 36 -11.229 -9.713 3.872 247 HB3 SER 36 1HB SER 36 -11.600 -11.241 4.669 248 HG SER 36 HG SER 36 -10.345 -10.747 2.309 249 H THR 37 H THR 37 -12.387 -12.432 2.096 250 HA THR 37 HA THR 37 -14.799 -14.079 2.398 251 HB THR 37 HB THR 37 -14.279 -13.499 0.097 252 HG1 THR 37 1HG THR 37 -14.991 -15.390 -0.236 253 HG21 THR 37 3HG2 THR 37 -11.900 -13.029 0.285 254 HG22 THR 37 1HG2 THR 37 -12.173 -14.206 -0.996 255 HG23 THR 37 2HG2 THR 37 -11.555 -14.734 0.568 256 H GLY 38 H GLY 38 -11.989 -13.682 3.912 257 HA2 GLY 38 2HA GLY 38 -11.058 -15.186 5.472 258 HA3 GLY 38 1HA GLY 38 -11.710 -16.521 4.520 259 H ALA 39 H ALA 39 -9.824 -13.728 3.544 260 HA ALA 39 HA ALA 39 -8.225 -15.466 1.885 261 HB1 ALA 39 1HB ALA 39 -8.203 -12.467 2.132 262 HB2 ALA 39 2HB ALA 39 -9.106 -13.400 0.939 263 HB3 ALA 39 3HB ALA 39 -7.342 -13.402 0.911 264 H GLU 40 H GLU 40 -8.103 -14.457 4.946 265 HA GLU 40 HA GLU 40 -5.432 -13.624 5.349 266 HB2 GLU 40 2HB GLU 40 -5.943 -13.918 7.716 267 HB3 GLU 40 1HB GLU 40 -7.224 -13.058 6.874 268 HG2 GLU 40 2HG GLU 40 -8.446 -15.259 6.720 269 HG3 GLU 40 1HG GLU 40 -7.229 -15.914 7.809 270 H ASN 41 H ASN 41 -6.385 -16.563 4.315 271 HA ASN 41 HA ASN 41 -4.686 -18.198 5.988 272 HB2 ASN 41 2HB ASN 41 -5.357 -20.068 4.561 273 HB3 ASN 41 1HB ASN 41 -6.789 -19.164 5.023 274 HD21 ASN 41 1HD2 ASN 41 -6.289 -20.971 2.789 275 HD22 ASN 41 2HD2 ASN 41 -6.663 -20.117 1.352 276 H LEU 42 H LEU 42 -4.579 -16.271 3.235 277 HA LEU 42 HA LEU 42 -3.024 -15.662 1.748 278 HB2 LEU 42 2HB LEU 42 -1.260 -16.786 3.868 279 HB3 LEU 42 1HB LEU 42 -0.610 -15.942 2.460 280 HG LEU 42 HG LEU 42 -2.387 -14.768 4.615 281 HD11 LEU 42 1HD1 LEU 42 0.546 -14.374 4.039 282 HD12 LEU 42 2HD1 LEU 42 -0.127 -15.260 5.405 283 HD13 LEU 42 3HD1 LEU 42 -0.390 -13.521 5.269 284 HD21 LEU 42 3HD2 LEU 42 -2.749 -13.703 2.449 285 HD22 LEU 42 1HD2 LEU 42 -1.013 -13.451 2.271 286 HD23 LEU 42 2HD2 LEU 42 -1.898 -12.619 3.548 287 HA PRO 43 HA PRO 43 -2.999 -19.925 -0.103 288 HB2 PRO 43 2HB PRO 43 -3.439 -18.869 -2.667 289 HB3 PRO 43 1HB PRO 43 -4.679 -19.524 -1.602 290 HG2 PRO 43 2HG PRO 43 -3.888 -16.686 -2.067 291 HG3 PRO 43 1HG PRO 43 -5.499 -17.364 -1.766 292 HD2 PRO 43 2HD PRO 43 -4.147 -16.032 0.114 293 HD3 PRO 43 1HD PRO 43 -5.162 -17.427 0.525 294 H ALA 44 H ALA 44 -1.793 -17.202 -2.088 295 HA ALA 44 HA ALA 44 0.543 -18.674 -2.839 296 HB1 ALA 44 1HB ALA 44 -0.131 -15.770 -3.284 297 HB2 ALA 44 2HB ALA 44 -0.449 -17.101 -4.407 298 HB3 ALA 44 3HB ALA 44 1.205 -16.631 -4.039 299 H GLY 45 H GLY 45 -0.166 -17.211 -0.030 300 HA2 GLY 45 2HA GLY 45 1.160 -16.775 1.814 301 HA3 GLY 45 1HA GLY 45 2.550 -17.236 0.849 302 H SER 46 H SER 46 0.557 -14.768 -0.438 303 HA SER 46 HA SER 46 2.134 -12.660 0.736 304 HB2 SER 46 2HB SER 46 2.059 -13.164 -2.253 305 HB3 SER 46 1HB SER 46 2.818 -11.781 -1.461 306 HG SER 46 HG SER 46 3.746 -13.950 -0.309 307 H ALA 47 H ALA 47 1.275 -10.508 -0.014 308 HA ALA 47 HA ALA 47 -1.513 -10.569 -0.845 309 HB1 ALA 47 1HB ALA 47 -1.549 -10.624 1.599 310 HB2 ALA 47 2HB ALA 47 -2.074 -9.041 1.020 311 HB3 ALA 47 3HB ALA 47 -0.443 -9.255 1.656 312 H LEU 48 H LEU 48 -2.169 -8.302 -1.494 313 HA LEU 48 HA LEU 48 0.212 -6.826 -2.312 314 HB2 LEU 48 2HB LEU 48 -0.749 -6.358 -4.518 315 HB3 LEU 48 1HB LEU 48 -0.495 -8.055 -4.270 316 HG LEU 48 HG LEU 48 -2.465 -7.784 -5.562 317 HD11 LEU 48 1HD1 LEU 48 -3.424 -8.458 -2.825 318 HD12 LEU 48 2HD1 LEU 48 -2.594 -9.539 -3.924 319 HD13 LEU 48 3HD1 LEU 48 -4.184 -8.896 -4.358 320 HD21 LEU 48 3HD2 LEU 48 -4.461 -6.529 -4.855 321 HD22 LEU 48 1HD2 LEU 48 -3.058 -5.486 -5.088 322 HD23 LEU 48 2HD2 LEU 48 -3.567 -5.926 -3.460 323 H LEU 49 H LEU 49 -0.032 -4.549 -2.603 324 HA LEU 49 HA LEU 49 -2.554 -3.555 -1.539 325 HB2 LEU 49 2HB LEU 49 -1.487 -1.766 -0.429 326 HB3 LEU 49 1HB LEU 49 -0.505 -3.151 -0.060 327 HG LEU 49 HG LEU 49 0.992 -1.437 -0.313 328 HD11 LEU 49 1HD1 LEU 49 2.326 -1.717 -2.307 329 HD12 LEU 49 2HD1 LEU 49 1.074 -2.780 -2.957 330 HD13 LEU 49 3HD1 LEU 49 1.929 -3.217 -1.481 331 HD21 LEU 49 3HD2 LEU 49 1.060 0.244 -2.095 332 HD22 LEU 49 1HD2 LEU 49 -0.444 0.269 -1.173 333 HD23 LEU 49 2HD2 LEU 49 -0.411 -0.454 -2.783 334 H VAL 50 H VAL 50 -3.501 -1.883 -2.627 335 HA VAL 50 HA VAL 50 -2.171 -1.076 -5.097 336 HB VAL 50 HB VAL 50 -3.765 -2.842 -5.700 337 HG11 VAL 50 1HG1 VAL 50 -5.342 -2.685 -3.889 338 HG12 VAL 50 2HG1 VAL 50 -6.190 -2.562 -5.433 339 HG13 VAL 50 3HG1 VAL 50 -5.894 -1.115 -4.467 340 HG21 VAL 50 3HG2 VAL 50 -3.421 -1.053 -7.325 341 HG22 VAL 50 1HG2 VAL 50 -4.720 -0.116 -6.586 342 HG23 VAL 50 2HG2 VAL 50 -5.085 -1.638 -7.399 343 H VAL 51 H VAL 51 -2.243 1.031 -5.517 344 HA VAL 51 HA VAL 51 -3.686 2.821 -3.703 345 HB VAL 51 HB VAL 51 -2.298 3.520 -6.319 346 HG11 VAL 51 1HG1 VAL 51 -3.760 5.254 -5.424 347 HG12 VAL 51 2HG1 VAL 51 -2.073 5.756 -5.329 348 HG13 VAL 51 3HG1 VAL 51 -2.908 5.196 -3.881 349 HG21 VAL 51 3HG2 VAL 51 -1.030 3.446 -3.572 350 HG22 VAL 51 1HG2 VAL 51 -0.279 4.085 -5.034 351 HG23 VAL 51 2HG2 VAL 51 -0.662 2.371 -4.922 352 H LYS 52 H LYS 52 -5.699 3.192 -3.952 353 HA LYS 52 HA LYS 52 -6.986 2.150 -6.324 354 HB2 LYS 52 2HB LYS 52 -7.653 1.722 -3.859 355 HB3 LYS 52 1HB LYS 52 -8.376 3.324 -3.938 356 HG2 LYS 52 2HG LYS 52 -10.080 1.711 -4.353 357 HG3 LYS 52 1HG LYS 52 -9.731 2.537 -5.875 358 HD2 LYS 52 2HD LYS 52 -8.282 0.649 -6.550 359 HD3 LYS 52 1HD LYS 52 -8.662 -0.163 -5.036 360 HE2 LYS 52 2HE LYS 52 -9.995 -1.061 -6.838 361 HE3 LYS 52 1HE LYS 52 -11.027 -0.210 -5.688 362 HZ1 LYS 52 3HZ LYS 52 -11.149 1.652 -7.167 363 HZ2 LYS 52 1HZ LYS 52 -11.554 0.278 -8.019 364 HZ3 LYS 52 2HZ LYS 52 -10.043 0.979 -8.229 365 H ARG 53 H ARG 53 -6.336 5.141 -4.696 366 HA ARG 53 HA ARG 53 -7.202 6.567 -7.031 367 HB2 ARG 53 2HB ARG 53 -9.279 6.318 -5.609 368 HB3 ARG 53 1HB ARG 53 -8.481 7.299 -4.388 369 HG2 ARG 53 2HG ARG 53 -8.335 9.157 -5.960 370 HG3 ARG 53 1HG ARG 53 -9.087 8.167 -7.206 371 HD2 ARG 53 2HD ARG 53 -11.072 7.933 -5.726 372 HD3 ARG 53 1HD ARG 53 -10.327 9.081 -4.617 373 HE ARG 53 HE ARG 53 -10.393 10.169 -7.198 374 HH11 ARG 53 1HH1 ARG 53 -12.564 9.419 -4.527 375 HH12 ARG 53 2HH1 ARG 53 -13.750 10.557 -4.968 376 HH21 ARG 53 1HH2 ARG 53 -11.985 11.698 -7.842 377 HH22 ARG 53 2HH2 ARG 53 -13.406 11.922 -6.923 378 H GLY 54 H GLY 54 -6.071 8.374 -7.319 379 HA2 GLY 54 2HA GLY 54 -5.056 10.280 -5.929 380 HA3 GLY 54 1HA GLY 54 -4.008 8.977 -5.360 381 HA PRO 55 HA PRO 55 -2.484 10.917 -9.494 382 HB2 PRO 55 2HB PRO 55 -0.103 11.172 -7.710 383 HB3 PRO 55 1HB PRO 55 -0.665 12.251 -8.996 384 HG2 PRO 55 2HG PRO 55 -1.086 12.918 -6.483 385 HG3 PRO 55 1HG PRO 55 -2.376 13.133 -7.680 386 HD2 PRO 55 2HD PRO 55 -2.071 11.018 -5.597 387 HD3 PRO 55 1HD PRO 55 -3.531 11.870 -6.144 388 H ASN 56 H ASN 56 -1.132 8.605 -7.145 389 HA ASN 56 HA ASN 56 0.350 7.315 -9.336 390 HB2 ASN 56 2HB ASN 56 1.316 7.916 -6.944 391 HB3 ASN 56 1HB ASN 56 0.537 6.414 -6.478 392 HD21 ASN 56 1HD2 ASN 56 3.132 7.847 -8.178 393 HD22 ASN 56 2HD2 ASN 56 3.999 6.404 -8.570 394 H ALA 57 H ALA 57 -2.674 7.161 -8.703 395 HA ALA 57 HA ALA 57 -3.362 4.658 -7.646 396 HB1 ALA 57 1HB ALA 57 -4.887 6.235 -9.705 397 HB2 ALA 57 2HB ALA 57 -4.973 6.480 -7.961 398 HB3 ALA 57 3HB ALA 57 -5.531 4.962 -8.669 399 H GLY 58 H GLY 58 -3.876 2.724 -8.509 400 HA2 GLY 58 2HA GLY 58 -4.078 1.178 -10.305 401 HA3 GLY 58 1HA GLY 58 -3.104 2.258 -11.303 402 H ALA 59 H ALA 59 -1.471 2.577 -8.722 403 HA ALA 59 HA ALA 59 0.553 0.700 -9.401 404 HB1 ALA 59 1HB ALA 59 1.794 1.644 -7.559 405 HB2 ALA 59 2HB ALA 59 0.343 2.450 -6.967 406 HB3 ALA 59 3HB ALA 59 1.053 2.938 -8.503 407 H ARG 60 H ARG 60 0.703 -1.296 -8.738 408 HA ARG 60 HA ARG 60 -0.509 -2.058 -6.203 409 HB2 ARG 60 2HB ARG 60 -1.993 -2.631 -8.111 410 HB3 ARG 60 1HB ARG 60 -0.675 -3.537 -8.828 411 HG2 ARG 60 2HG ARG 60 -0.709 -5.081 -6.948 412 HG3 ARG 60 1HG ARG 60 -2.010 -4.144 -6.212 413 HD2 ARG 60 2HD ARG 60 -2.883 -6.108 -7.407 414 HD3 ARG 60 1HD ARG 60 -3.452 -4.596 -8.123 415 HE ARG 60 HE ARG 60 -1.066 -5.579 -9.326 416 HH11 ARG 60 1HH1 ARG 60 -4.607 -5.892 -9.412 417 HH12 ARG 60 2HH1 ARG 60 -4.628 -6.480 -11.015 418 HH21 ARG 60 1HH2 ARG 60 -1.147 -6.308 -11.531 419 HH22 ARG 60 2HH2 ARG 60 -2.647 -6.707 -12.238 420 H PHE 61 H PHE 61 0.811 -3.380 -5.066 421 HA PHE 61 HA PHE 61 3.174 -4.486 -6.384 422 HB2 PHE 61 2HB PHE 61 3.255 -2.853 -3.832 423 HB3 PHE 61 1HB PHE 61 4.609 -3.724 -4.529 424 HD1 PHE 61 1HD PHE 61 5.658 -2.915 -6.601 425 HD2 PHE 61 2HD PHE 61 2.559 -0.729 -4.678 426 HE1 PHE 61 1HE PHE 61 6.265 -0.919 -7.892 427 HE2 PHE 61 2HE PHE 61 3.163 1.274 -5.966 428 HZ PHE 61 HZ PHE 61 5.021 1.182 -7.577 429 H LEU 62 H LEU 62 3.960 -6.322 -5.402 430 HA LEU 62 HA LEU 62 2.039 -7.646 -3.671 431 HB2 LEU 62 2HB LEU 62 2.806 -8.729 -5.755 432 HB3 LEU 62 1HB LEU 62 4.449 -8.697 -5.157 433 HG LEU 62 HG LEU 62 3.812 -10.229 -3.339 434 HD11 LEU 62 1HD1 LEU 62 1.642 -11.351 -3.452 435 HD12 LEU 62 2HD1 LEU 62 1.138 -10.228 -4.721 436 HD13 LEU 62 3HD1 LEU 62 1.487 -9.633 -3.099 437 HD21 LEU 62 3HD2 LEU 62 3.504 -12.214 -4.743 438 HD22 LEU 62 1HD2 LEU 62 4.716 -11.123 -5.419 439 HD23 LEU 62 2HD2 LEU 62 3.092 -11.178 -6.109 440 H LEU 63 H LEU 63 2.443 -7.963 -1.566 441 HA LEU 63 HA LEU 63 5.029 -7.140 -0.526 442 HB2 LEU 63 2HB LEU 63 2.462 -7.653 0.977 443 HB3 LEU 63 1HB LEU 63 3.975 -7.134 1.674 444 HG LEU 63 HG LEU 63 2.629 -5.258 1.660 445 HD11 LEU 63 1HD1 LEU 63 3.686 -3.673 0.155 446 HD12 LEU 63 2HD1 LEU 63 4.379 -5.011 -0.756 447 HD13 LEU 63 3HD1 LEU 63 4.848 -4.756 0.925 448 HD21 LEU 63 3HD2 LEU 63 1.963 -5.679 -1.237 449 HD22 LEU 63 1HD2 LEU 63 1.310 -4.451 -0.156 450 HD23 LEU 63 2HD2 LEU 63 0.920 -6.153 0.103 451 H ASP 64 H ASP 64 6.348 -8.763 -0.585 452 HA ASP 64 HA ASP 64 5.941 -10.787 1.442 453 HB2 ASP 64 2HB ASP 64 6.837 -12.622 0.092 454 HB3 ASP 64 1HB ASP 64 5.446 -11.967 -0.748 455 H GLN 65 H GLN 65 7.224 -8.255 0.899 456 HA GLN 65 HA GLN 65 10.062 -8.926 1.049 457 HB2 GLN 65 2HB GLN 65 10.396 -6.513 0.433 458 HB3 GLN 65 1HB GLN 65 9.613 -7.448 -0.825 459 HG2 GLN 65 2HG GLN 65 7.413 -6.558 0.077 460 HG3 GLN 65 1HG GLN 65 8.374 -5.470 1.063 461 HE21 GLN 65 1HE2 GLN 65 9.441 -3.733 0.084 462 HE22 GLN 65 2HE2 GLN 65 9.069 -3.248 -1.531 463 HA PRO 66 HA PRO 66 9.807 -7.896 5.279 464 HB2 PRO 66 2HB PRO 66 12.363 -7.006 5.718 465 HB3 PRO 66 1HB PRO 66 11.901 -8.705 5.612 466 HG2 PRO 66 2HG PRO 66 13.123 -6.947 3.526 467 HG3 PRO 66 1HG PRO 66 13.460 -8.645 3.899 468 HD2 PRO 66 2HD PRO 66 11.945 -7.874 1.813 469 HD3 PRO 66 1HD PRO 66 11.651 -9.388 2.693 470 H THR 67 H THR 67 10.588 -5.402 2.963 471 HA THR 67 HA THR 67 9.643 -3.430 4.867 472 HB THR 67 HB THR 67 12.348 -3.080 3.539 473 HG1 THR 67 1HG THR 67 11.538 -4.086 5.998 474 HG21 THR 67 3HG2 THR 67 12.524 -1.090 4.985 475 HG22 THR 67 1HG2 THR 67 10.903 -1.402 5.609 476 HG23 THR 67 2HG2 THR 67 11.127 -0.967 3.917 477 H THR 68 H THR 68 8.307 -2.094 3.841 478 HA THR 68 HA THR 68 8.904 -1.256 1.100 479 HB THR 68 HB THR 68 6.141 -1.693 2.293 480 HG1 THR 68 1HG THR 68 7.392 -3.236 0.275 481 HG21 THR 68 3HG2 THR 68 5.369 -1.405 -0.018 482 HG22 THR 68 1HG2 THR 68 7.033 -1.148 -0.546 483 HG23 THR 68 2HG2 THR 68 6.260 0.017 0.528 484 H THR 69 H THR 69 9.454 0.885 1.333 485 HA THR 69 HA THR 69 8.396 2.367 3.602 486 HB THR 69 HB THR 69 10.420 3.270 1.532 487 HG1 THR 69 1HG THR 69 11.567 1.756 2.459 488 HG21 THR 69 3HG2 THR 69 9.861 4.222 4.356 489 HG22 THR 69 1HG2 THR 69 9.424 5.085 2.880 490 HG23 THR 69 2HG2 THR 69 11.122 4.844 3.292 491 H ALA 70 H ALA 70 7.000 4.105 3.418 492 HA ALA 70 HA ALA 70 5.951 4.665 0.735 493 HB1 ALA 70 1HB ALA 70 4.384 3.437 2.179 494 HB2 ALA 70 2HB ALA 70 3.806 5.062 1.809 495 HB3 ALA 70 3HB ALA 70 4.514 4.714 3.388 496 H GLY 71 H GLY 71 5.855 6.740 0.138 497 HA2 GLY 71 2HA GLY 71 5.319 9.005 1.377 498 HA3 GLY 71 1HA GLY 71 6.994 8.757 1.868 499 H ARG 72 H ARG 72 7.628 10.632 0.652 500 HA ARG 72 HA ARG 72 7.758 10.084 -2.235 501 HB2 ARG 72 2HB ARG 72 6.485 12.138 -1.524 502 HB3 ARG 72 1HB ARG 72 7.963 12.746 -0.786 503 HG2 ARG 72 2HG ARG 72 9.018 12.572 -3.059 504 HG3 ARG 72 1HG ARG 72 7.405 12.247 -3.694 505 HD2 ARG 72 2HD ARG 72 6.682 14.406 -2.583 506 HD3 ARG 72 1HD ARG 72 8.398 14.735 -2.326 507 HE ARG 72 HE ARG 72 6.910 14.763 -4.789 508 HH11 ARG 72 1HH1 ARG 72 10.178 14.888 -3.302 509 HH12 ARG 72 2HH1 ARG 72 10.907 15.485 -4.714 510 HH21 ARG 72 1HH2 ARG 72 7.998 15.682 -6.685 511 HH22 ARG 72 2HH2 ARG 72 9.684 15.970 -6.619 512 H HIS 73 H HIS 73 9.826 9.442 -2.686 513 HA HIS 73 HA HIS 73 12.163 10.701 -1.742 514 HB2 HIS 73 2HB HIS 73 11.173 9.531 0.352 515 HB3 HIS 73 1HB HIS 73 11.522 8.027 -0.466 516 HD1 HIS 73 1HD HIS 73 12.736 8.830 2.272 517 HD2 HIS 73 2HD HIS 73 14.544 9.280 -1.398 518 HE1 HIS 73 1HE HIS 73 15.223 8.843 2.740 519 HA PRO 74 HA PRO 74 13.361 7.891 -5.230 520 HB2 PRO 74 2HB PRO 74 16.058 7.844 -4.291 521 HB3 PRO 74 1HB PRO 74 15.429 8.751 -5.668 522 HG2 PRO 74 2HG PRO 74 16.005 9.650 -2.913 523 HG3 PRO 74 1HG PRO 74 15.944 10.585 -4.410 524 HD2 PRO 74 2HD PRO 74 14.028 10.801 -2.535 525 HD3 PRO 74 1HD PRO 74 13.666 10.924 -4.259 526 H GLU 75 H GLU 75 14.206 7.498 -1.843 527 HA GLU 75 HA GLU 75 14.737 4.667 -2.123 528 HB2 GLU 75 2HB GLU 75 14.882 6.550 0.221 529 HB3 GLU 75 1HB GLU 75 15.079 4.815 0.396 530 HG2 GLU 75 2HG GLU 75 16.782 6.525 -1.401 531 HG3 GLU 75 1HG GLU 75 17.208 6.106 0.256 532 H SER 76 H SER 76 11.838 6.260 -2.045 533 HA SER 76 HA SER 76 10.668 4.427 -0.123 534 HB2 SER 76 2HB SER 76 8.523 5.598 -0.566 535 HB3 SER 76 1HB SER 76 9.785 6.731 -0.086 536 HG SER 76 HG SER 76 9.239 6.151 -2.776 537 H ASP 77 H ASP 77 10.160 2.472 -0.736 538 HA ASP 77 HA ASP 77 10.246 1.588 -3.380 539 HB2 ASP 77 2HB ASP 77 10.605 0.091 -1.460 540 HB3 ASP 77 1HB ASP 77 8.901 0.230 -1.038 541 H ILE 78 H ILE 78 7.505 2.631 -1.424 542 HA ILE 78 HA ILE 78 6.119 2.695 -3.967 543 HB ILE 78 HB ILE 78 3.931 2.753 -2.786 544 HG12 ILE 78 2HG1 ILE 78 5.501 2.037 -0.293 545 HG13 ILE 78 1HG1 ILE 78 4.720 3.588 -0.590 546 HG21 ILE 78 1HG2 ILE 78 5.609 0.326 -2.195 547 HG22 ILE 78 2HG2 ILE 78 4.715 0.663 -3.680 548 HG23 ILE 78 3HG2 ILE 78 3.848 0.378 -2.172 549 HD11 ILE 78 3HD1 ILE 78 2.547 2.490 -0.647 550 HD12 ILE 78 1HD1 ILE 78 3.381 2.185 0.875 551 HD13 ILE 78 2HD1 ILE 78 3.326 0.933 -0.365 552 H PHE 79 H PHE 79 6.044 4.520 -4.807 553 HA PHE 79 HA PHE 79 6.752 6.866 -3.234 554 HB2 PHE 79 2HB PHE 79 8.098 6.298 -5.190 555 HB3 PHE 79 1HB PHE 79 6.673 6.352 -6.207 556 HD1 PHE 79 2HD PHE 79 8.944 8.399 -4.143 557 HD2 PHE 79 1HD PHE 79 5.953 8.383 -7.166 558 HE1 PHE 79 2HE PHE 79 9.433 10.755 -4.637 559 HE2 PHE 79 1HE PHE 79 6.440 10.738 -7.669 560 HZ PHE 79 HZ PHE 79 8.182 11.927 -6.402 561 H LEU 80 H LEU 80 5.210 8.211 -2.614 562 HA LEU 80 HA LEU 80 2.797 8.520 -4.284 563 HB2 LEU 80 2HB LEU 80 3.050 8.842 -1.276 564 HB3 LEU 80 1HB LEU 80 1.619 9.197 -2.207 565 HG LEU 80 HG LEU 80 1.180 7.207 -1.128 566 HD11 LEU 80 1HD1 LEU 80 0.450 7.112 -3.388 567 HD12 LEU 80 2HD1 LEU 80 0.936 5.503 -2.851 568 HD13 LEU 80 3HD1 LEU 80 1.998 6.438 -3.903 569 HD21 LEU 80 3HD2 LEU 80 3.862 6.133 -1.993 570 HD22 LEU 80 1HD2 LEU 80 2.625 5.204 -1.146 571 HD23 LEU 80 2HD2 LEU 80 3.380 6.587 -0.359 572 H ASP 81 H ASP 81 2.750 10.459 -5.196 573 HA ASP 81 HA ASP 81 4.083 12.660 -3.793 574 HB2 ASP 81 2HB ASP 81 5.557 12.095 -5.570 575 HB3 ASP 81 1HB ASP 81 4.236 12.010 -6.728 576 H ASP 82 H ASP 82 2.915 14.283 -3.395 577 HA ASP 82 HA ASP 82 1.202 15.728 -5.000 578 HB2 ASP 82 2HB ASP 82 -0.278 13.593 -4.641 579 HB3 ASP 82 1HB ASP 82 -0.331 14.065 -2.950 580 H VAL 83 H VAL 83 -0.493 16.347 -2.545 581 HA VAL 83 HA VAL 83 1.135 18.237 -1.274 582 HB VAL 83 HB VAL 83 -1.310 16.873 -0.083 583 HG11 VAL 83 1HG1 VAL 83 -0.082 18.165 1.590 584 HG12 VAL 83 2HG1 VAL 83 -1.616 18.943 1.203 585 HG13 VAL 83 3HG1 VAL 83 -0.112 19.575 0.533 586 HG21 VAL 83 3HG2 VAL 83 -1.805 17.769 -2.264 587 HG22 VAL 83 1HG2 VAL 83 -1.109 19.326 -1.808 588 HG23 VAL 83 2HG2 VAL 83 -2.573 18.743 -1.008 589 H THR 84 H THR 84 0.877 14.848 -0.708 590 HA THR 84 HA THR 84 2.006 14.888 1.904 591 HB THR 84 HB THR 84 1.823 12.549 -0.017 592 HG1 THR 84 1HG THR 84 -0.106 12.271 1.587 593 HG21 THR 84 3HG2 THR 84 3.284 12.225 1.965 594 HG22 THR 84 1HG2 THR 84 1.848 11.210 2.051 595 HG23 THR 84 2HG2 THR 84 1.944 12.674 3.017 596 H VAL 85 H VAL 85 3.804 16.223 1.453 597 HA VAL 85 HA VAL 85 6.014 14.962 0.025 598 HB VAL 85 HB VAL 85 5.830 17.777 1.149 599 HG11 VAL 85 1HG1 VAL 85 7.840 18.216 -0.200 600 HG12 VAL 85 2HG1 VAL 85 7.885 16.515 -0.664 601 HG13 VAL 85 3HG1 VAL 85 8.119 16.976 1.022 602 HG21 VAL 85 3HG2 VAL 85 5.610 18.520 -1.176 603 HG22 VAL 85 1HG2 VAL 85 4.265 17.482 -0.706 604 HG23 VAL 85 2HG2 VAL 85 5.565 16.842 -1.712 605 H SER 86 H SER 86 6.960 13.601 1.340 606 HA SER 86 HA SER 86 8.406 14.518 3.600 607 HB2 SER 86 2HB SER 86 6.200 12.450 3.978 608 HB3 SER 86 1HB SER 86 7.491 12.750 5.137 609 HG SER 86 HG SER 86 6.150 15.004 4.372 610 H ARG 87 H ARG 87 10.226 13.260 3.708 611 HA ARG 87 HA ARG 87 10.714 11.479 1.589 612 HB2 ARG 87 2HB ARG 87 12.875 11.011 2.709 613 HB3 ARG 87 1HB ARG 87 12.544 12.719 2.504 614 HG2 ARG 87 2HG ARG 87 11.872 12.837 4.883 615 HG3 ARG 87 1HG ARG 87 12.314 11.133 5.058 616 HD2 ARG 87 2HD ARG 87 14.602 11.674 4.333 617 HD3 ARG 87 1HD ARG 87 14.082 13.340 4.142 618 HE ARG 87 HE ARG 87 13.704 13.369 6.575 619 HH11 ARG 87 1HH1 ARG 87 15.877 10.893 5.283 620 HH12 ARG 87 2HH1 ARG 87 17.016 11.024 6.547 621 HH21 ARG 87 1HH2 ARG 87 15.313 13.581 8.276 622 HH22 ARG 87 2HH2 ARG 87 16.706 12.608 8.292 623 H ARG 88 H ARG 88 9.527 10.974 4.760 624 HA ARG 88 HA ARG 88 8.885 8.255 4.030 625 HB2 ARG 88 2HB ARG 88 10.283 9.058 6.592 626 HB3 ARG 88 1HB ARG 88 9.370 7.566 6.404 627 HG2 ARG 88 2HG ARG 88 10.924 6.828 4.676 628 HG3 ARG 88 1HG ARG 88 11.835 8.330 4.860 629 HD2 ARG 88 2HD ARG 88 12.469 7.795 7.064 630 HD3 ARG 88 1HD ARG 88 11.288 6.502 7.171 631 HE ARG 88 HE ARG 88 13.719 6.419 5.512 632 HH11 ARG 88 1HH1 ARG 88 11.275 4.846 7.520 633 HH12 ARG 88 2HH1 ARG 88 11.956 3.319 7.527 634 HH21 ARG 88 1HH2 ARG 88 14.769 4.240 5.478 635 HH22 ARG 88 2HH2 ARG 88 14.020 2.975 6.347 636 H HIS 89 H HIS 89 6.794 7.962 4.392 637 HA HIS 89 HA HIS 89 5.377 9.753 6.226 638 HB2 HIS 89 2HB HIS 89 4.482 9.532 3.930 639 HB3 HIS 89 1HB HIS 89 4.420 7.787 4.105 640 HD2 HIS 89 2HD HIS 89 2.681 10.844 5.940 641 HE1 HIS 89 1HE HIS 89 -0.050 7.670 5.448 642 HE2 HIS 89 2HE HIS 89 0.414 9.839 6.621 643 H ALA 90 H ALA 90 5.707 6.348 5.332 644 HA ALA 90 HA ALA 90 5.683 5.477 8.083 645 HB1 ALA 90 1HB ALA 90 3.783 3.952 7.737 646 HB2 ALA 90 2HB ALA 90 3.499 4.672 6.153 647 HB3 ALA 90 3HB ALA 90 3.291 5.641 7.613 648 H GLU 91 H GLU 91 6.111 3.103 8.096 649 HA GLU 91 HA GLU 91 6.978 2.116 5.502 650 HB2 GLU 91 2HB GLU 91 8.906 0.940 6.510 651 HB3 GLU 91 1HB GLU 91 9.053 2.683 6.624 652 HG2 GLU 91 2HG GLU 91 8.516 2.630 8.960 653 HG3 GLU 91 1HG GLU 91 8.142 0.907 8.873 654 H PHE 92 H PHE 92 6.555 0.046 5.060 655 HA PHE 92 HA PHE 92 4.867 -1.335 7.028 656 HB2 PHE 92 2HB PHE 92 5.037 -1.903 4.056 657 HB3 PHE 92 1HB PHE 92 3.832 -2.479 5.187 658 HD1 PHE 92 1HD PHE 92 3.386 0.322 6.483 659 HD2 PHE 92 2HD PHE 92 3.510 -1.061 2.471 660 HE1 PHE 92 1HE PHE 92 1.898 2.168 5.803 661 HE2 PHE 92 2HE PHE 92 2.034 0.777 1.788 662 HZ PHE 92 HZ PHE 92 1.229 2.395 3.451 663 H ARG 93 H ARG 93 5.756 -3.094 7.868 664 HA ARG 93 HA ARG 93 8.000 -4.282 6.405 665 HB2 ARG 93 2HB ARG 93 7.556 -4.287 9.396 666 HB3 ARG 93 1HB ARG 93 8.892 -5.041 8.551 667 HG2 ARG 93 2HG ARG 93 9.678 -2.852 7.807 668 HG3 ARG 93 1HG ARG 93 8.326 -2.085 8.647 669 HD2 ARG 93 2HD ARG 93 10.322 -1.962 10.012 670 HD3 ARG 93 1HD ARG 93 9.138 -3.029 10.763 671 HE ARG 93 HE ARG 93 11.424 -4.026 9.192 672 HH11 ARG 93 1HH1 ARG 93 9.255 -4.331 11.992 673 HH12 ARG 93 2HH1 ARG 93 10.169 -5.542 12.736 674 HH21 ARG 93 1HH2 ARG 93 12.633 -5.741 10.191 675 HH22 ARG 93 2HH2 ARG 93 12.136 -6.386 11.694 676 H ILE 94 H ILE 94 7.833 -6.350 5.912 677 HA ILE 94 HA ILE 94 5.532 -7.808 7.026 678 HB ILE 94 HB ILE 94 6.780 -8.145 4.267 679 HG12 ILE 94 2HG1 ILE 94 4.321 -7.608 3.548 680 HG13 ILE 94 1HG1 ILE 94 4.181 -6.956 5.173 681 HG21 ILE 94 1HG2 ILE 94 5.032 -9.814 3.832 682 HG22 ILE 94 2HG2 ILE 94 4.489 -9.664 5.502 683 HG23 ILE 94 3HG2 ILE 94 6.098 -10.293 5.152 684 HD11 ILE 94 3HD1 ILE 94 6.134 -5.995 3.096 685 HD12 ILE 94 1HD1 ILE 94 5.915 -5.326 4.711 686 HD13 ILE 94 2HD1 ILE 94 4.615 -5.206 3.523 687 H ASN 95 H ASN 95 6.190 -9.241 8.388 688 HA ASN 95 HA ASN 95 8.664 -10.698 7.852 689 HB2 ASN 95 2HB ASN 95 9.343 -8.843 9.268 690 HB3 ASN 95 1HB ASN 95 8.040 -9.193 10.395 691 HD21 ASN 95 1HD2 ASN 95 8.310 -10.771 11.906 692 HD22 ASN 95 2HD2 ASN 95 9.754 -11.673 12.126 693 H GLU 96 H GLU 96 8.339 -12.787 8.073 694 HA GLU 96 HA GLU 96 7.531 -14.801 8.682 695 HB2 GLU 96 2HB GLU 96 7.091 -13.354 11.293 696 HB3 GLU 96 1HB GLU 96 7.066 -15.102 11.092 697 HG2 GLU 96 2HG GLU 96 9.393 -15.060 10.379 698 HG3 GLU 96 1HG GLU 96 9.410 -13.309 10.535 699 H GLY 97 H GLY 97 5.660 -13.215 7.304 700 HA2 GLY 97 2HA GLY 97 3.481 -13.578 6.618 701 HA3 GLY 97 1HA GLY 97 3.264 -14.621 8.011 702 H GLU 98 H GLU 98 4.476 -11.788 9.170 703 HA GLU 98 HA GLU 98 1.783 -10.826 9.710 704 HB2 GLU 98 2HB GLU 98 4.289 -10.446 11.348 705 HB3 GLU 98 1HB GLU 98 2.650 -9.983 11.808 706 HG2 GLU 98 2HG GLU 98 2.008 -12.371 11.664 707 HG3 GLU 98 1HG GLU 98 3.691 -12.759 11.372 708 H PHE 99 H PHE 99 1.288 -8.830 9.208 709 HA PHE 99 HA PHE 99 3.286 -7.268 7.736 710 HB2 PHE 99 2HB PHE 99 0.267 -7.006 7.743 711 HB3 PHE 99 1HB PHE 99 1.388 -6.257 6.618 712 HD1 PHE 99 2HD PHE 99 2.376 -7.587 4.804 713 HD2 PHE 99 1HD PHE 99 -0.415 -9.294 7.511 714 HE1 PHE 99 2HE PHE 99 2.068 -9.490 3.277 715 HE2 PHE 99 1HE PHE 99 -0.739 -11.197 5.990 716 HZ PHE 99 HZ PHE 99 0.505 -11.298 3.866 717 H GLU 100 H GLU 100 4.075 -5.578 8.933 718 HA GLU 100 HA GLU 100 2.257 -4.370 10.885 719 HB2 GLU 100 2HB GLU 100 4.261 -3.744 12.225 720 HB3 GLU 100 1HB GLU 100 4.040 -5.482 12.095 721 HG2 GLU 100 2HG GLU 100 5.784 -5.604 10.411 722 HG3 GLU 100 1HG GLU 100 5.938 -3.847 10.451 723 H VAL 101 H VAL 101 1.862 -2.311 10.684 724 HA VAL 101 HA VAL 101 3.437 -0.758 8.744 725 HB VAL 101 HB VAL 101 0.644 -0.285 9.842 726 HG11 VAL 101 1HG1 VAL 101 1.713 1.835 9.416 727 HG12 VAL 101 2HG1 VAL 101 0.511 1.535 8.153 728 HG13 VAL 101 3HG1 VAL 101 2.224 1.302 7.819 729 HG21 VAL 101 3HG2 VAL 101 -0.133 -0.753 7.572 730 HG22 VAL 101 1HG2 VAL 101 0.739 -2.130 8.246 731 HG23 VAL 101 2HG2 VAL 101 1.525 -1.079 7.067 732 H VAL 102 H VAL 102 4.775 0.651 9.639 733 HA VAL 102 HA VAL 102 4.084 1.642 12.299 734 HB VAL 102 HB VAL 102 6.884 1.290 11.164 735 HG11 VAL 102 1HG1 VAL 102 6.007 2.100 13.932 736 HG12 VAL 102 2HG1 VAL 102 6.770 3.141 12.728 737 HG13 VAL 102 3HG1 VAL 102 7.671 1.797 13.428 738 HG21 VAL 102 3HG2 VAL 102 5.466 -0.337 13.275 739 HG22 VAL 102 1HG2 VAL 102 7.159 -0.511 12.814 740 HG23 VAL 102 2HG2 VAL 102 5.881 -0.882 11.652 741 H ASP 103 H ASP 103 3.712 3.762 12.316 742 HA ASP 103 HA ASP 103 4.255 5.506 10.081 743 HB2 ASP 103 2HB ASP 103 2.235 5.900 11.343 744 HB3 ASP 103 1HB ASP 103 3.110 5.824 12.859 745 H VAL 104 H VAL 104 5.853 7.101 10.017 746 HA VAL 104 HA VAL 104 8.007 6.597 11.953 747 HB VAL 104 HB VAL 104 9.582 7.522 10.377 748 HG11 VAL 104 1HG1 VAL 104 7.719 5.593 9.011 749 HG12 VAL 104 2HG1 VAL 104 9.045 5.174 10.093 750 HG13 VAL 104 3HG1 VAL 104 9.384 5.920 8.531 751 HG21 VAL 104 3HG2 VAL 104 8.152 9.282 9.454 752 HG22 VAL 104 1HG2 VAL 104 7.237 8.072 8.558 753 HG23 VAL 104 2HG2 VAL 104 8.947 8.353 8.190 754 H GLY 105 H GLY 105 5.658 8.892 11.289 755 HA2 GLY 105 2HA GLY 105 6.529 10.744 13.156 756 HA3 GLY 105 1HA GLY 105 7.046 11.294 11.570 757 H SER 106 H SER 106 4.414 10.781 13.665 758 HA SER 106 HA SER 106 2.226 10.859 11.942 759 HB2 SER 106 2HB SER 106 2.380 11.658 14.834 760 HB3 SER 106 1HB SER 106 0.940 11.133 13.957 761 HG SER 106 HG SER 106 2.780 9.282 13.563 762 H LEU 107 H LEU 107 4.236 13.217 11.939 763 HA LEU 107 HA LEU 107 2.675 15.556 12.424 764 HB2 LEU 107 2HB LEU 107 5.146 15.140 10.744 765 HB3 LEU 107 1HB LEU 107 4.430 16.709 11.021 766 HG LEU 107 HG LEU 107 4.912 16.284 13.512 767 HD11 LEU 107 1HD1 LEU 107 5.345 13.906 13.431 768 HD12 LEU 107 2HD1 LEU 107 6.771 14.778 14.003 769 HD13 LEU 107 3HD1 LEU 107 6.712 14.175 12.350 770 HD21 LEU 107 3HD2 LEU 107 7.221 17.048 13.277 771 HD22 LEU 107 1HD2 LEU 107 6.132 17.888 12.174 772 HD23 LEU 107 2HD2 LEU 107 7.183 16.611 11.568 773 H ASN 108 H ASN 108 3.403 13.458 9.709 774 HA ASN 108 HA ASN 108 1.701 15.050 7.985 775 HB2 ASN 108 2HB ASN 108 2.421 13.378 6.203 776 HB3 ASN 108 1HB ASN 108 3.701 14.374 6.873 777 HD21 ASN 108 1HD2 ASN 108 5.272 12.917 6.250 778 HD22 ASN 108 2HD2 ASN 108 5.487 11.398 7.062 779 H GLY 109 H GLY 109 1.654 12.210 9.868 780 HA2 GLY 109 2HA GLY 109 -0.229 11.203 10.750 781 HA3 GLY 109 1HA GLY 109 -1.214 12.172 9.673 782 H THR 110 H THR 110 0.525 9.151 10.056 783 HA THR 110 HA THR 110 -0.370 8.163 7.538 784 HB THR 110 HB THR 110 0.668 6.685 9.975 785 HG1 THR 110 1HG THR 110 2.375 7.838 9.385 786 HG21 THR 110 3HG2 THR 110 0.526 5.849 7.066 787 HG22 THR 110 1HG2 THR 110 -0.515 5.239 8.352 788 HG23 THR 110 2HG2 THR 110 1.213 4.896 8.380 789 H TYR 111 H TYR 111 -2.371 7.194 7.109 790 HA TYR 111 HA TYR 111 -4.026 6.679 9.462 791 HB2 TYR 111 2HB TYR 111 -4.896 7.289 6.626 792 HB3 TYR 111 1HB TYR 111 -5.959 7.100 8.014 793 HD1 TYR 111 2HD TYR 111 -5.498 8.848 9.986 794 HD2 TYR 111 1HD TYR 111 -4.320 9.432 5.936 795 HE1 TYR 111 2HE TYR 111 -5.383 11.284 10.371 796 HE2 TYR 111 1HE TYR 111 -4.201 11.865 6.314 797 HH TYR 111 HH TYR 111 -4.134 13.267 9.321 798 H VAL 112 H VAL 112 -4.564 4.623 9.740 799 HA VAL 112 HA VAL 112 -4.308 2.711 7.523 800 HB VAL 112 HB VAL 112 -3.316 2.163 10.346 801 HG11 VAL 112 1HG1 VAL 112 -2.309 0.151 9.377 802 HG12 VAL 112 2HG1 VAL 112 -3.010 0.565 7.814 803 HG13 VAL 112 3HG1 VAL 112 -4.062 0.178 9.173 804 HG21 VAL 112 3HG2 VAL 112 -1.646 2.724 7.900 805 HG22 VAL 112 1HG2 VAL 112 -1.032 2.227 9.477 806 HG23 VAL 112 2HG2 VAL 112 -1.836 3.788 9.295 807 H ASN 113 H ASN 113 -5.865 1.114 7.599 808 HA ASN 113 HA ASN 113 -7.971 0.450 7.786 809 HB2 ASN 113 2HB ASN 113 -6.707 -0.496 9.898 810 HB3 ASN 113 1HB ASN 113 -7.700 0.649 10.786 811 HD21 ASN 113 1HD2 ASN 113 -7.589 -2.257 10.729 812 HD22 ASN 113 2HD2 ASN 113 -9.179 -2.839 10.464 813 H ARG 114 H ARG 114 -7.605 3.062 7.390 814 HA ARG 114 HA ARG 114 -8.666 5.029 7.187 815 HB2 ARG 114 2HB ARG 114 -10.923 3.300 8.061 816 HB3 ARG 114 1HB ARG 114 -11.175 5.028 7.858 817 HG2 ARG 114 2HG ARG 114 -10.435 4.885 5.551 818 HG3 ARG 114 1HG ARG 114 -10.117 3.163 5.756 819 HD2 ARG 114 2HD ARG 114 -12.824 4.264 6.355 820 HD3 ARG 114 1HD ARG 114 -12.343 3.970 4.689 821 HE ARG 114 HE ARG 114 -12.169 1.707 5.121 822 HH11 ARG 114 1HH1 ARG 114 -13.309 3.359 8.029 823 HH12 ARG 114 2HH1 ARG 114 -14.259 2.056 8.596 824 HH21 ARG 114 1HH2 ARG 114 -13.524 -0.094 5.882 825 HH22 ARG 114 2HH2 ARG 114 -14.439 0.077 7.306 826 H GLU 115 H GLU 115 -7.374 4.415 9.889 827 HA GLU 115 HA GLU 115 -8.486 6.795 11.196 828 HB2 GLU 115 2HB GLU 115 -7.642 4.226 12.539 829 HB3 GLU 115 1HB GLU 115 -8.013 5.717 13.378 830 HG2 GLU 115 2HG GLU 115 -10.310 5.584 12.678 831 HG3 GLU 115 1HG GLU 115 -9.958 4.161 11.696 832 HA PRO 116 HA PRO 116 -4.143 8.016 11.435 833 HB2 PRO 116 2HB PRO 116 -4.706 8.918 14.204 834 HB3 PRO 116 1HB PRO 116 -4.113 9.857 12.834 835 HG2 PRO 116 2HG PRO 116 -6.627 10.137 13.756 836 HG3 PRO 116 1HG PRO 116 -6.232 10.295 12.038 837 HD2 PRO 116 2HD PRO 116 -7.542 8.028 13.482 838 HD3 PRO 116 1HD PRO 116 -7.812 8.653 11.844 839 H ARG 117 H ARG 117 -2.493 6.649 11.925 840 HA ARG 117 HA ARG 117 -2.825 4.931 14.285 841 HB2 ARG 117 2HB ARG 117 -3.661 4.032 12.011 842 HB3 ARG 117 1HB ARG 117 -1.956 3.900 11.618 843 HG2 ARG 117 2HG ARG 117 -2.620 1.834 12.311 844 HG3 ARG 117 1HG ARG 117 -1.745 2.485 13.713 845 HD2 ARG 117 2HD ARG 117 -3.774 1.391 14.478 846 HD3 ARG 117 1HD ARG 117 -3.974 3.131 14.676 847 HE ARG 117 HE ARG 117 -4.951 2.409 12.161 848 HH11 ARG 117 1HH1 ARG 117 -5.860 1.933 15.557 849 HH12 ARG 117 2HH1 ARG 117 -7.503 1.740 15.221 850 HH21 ARG 117 1HH2 ARG 117 -7.193 2.162 11.730 851 HH22 ARG 117 2HH2 ARG 117 -8.307 1.951 13.018 852 H ASN 118 H ASN 118 -0.874 4.472 15.257 853 HA ASN 118 HA ASN 118 1.517 5.717 14.116 854 HB2 ASN 118 2HB ASN 118 1.020 4.641 16.899 855 HB3 ASN 118 1HB ASN 118 2.507 5.409 16.369 856 HD21 ASN 118 1HD2 ASN 118 2.460 7.670 15.930 857 HD22 ASN 118 2HD2 ASN 118 1.235 8.674 16.557 858 H ALA 119 H ALA 119 0.286 2.666 15.269 859 HA ALA 119 HA ALA 119 2.214 1.200 13.716 860 HB1 ALA 119 1HB ALA 119 3.338 1.389 15.893 861 HB2 ALA 119 2HB ALA 119 2.792 -0.266 15.623 862 HB3 ALA 119 3HB ALA 119 1.889 0.797 16.703 863 H GLN 120 H GLN 120 1.256 -0.609 12.960 864 HA GLN 120 HA GLN 120 -1.237 -1.555 14.186 865 HB2 GLN 120 2HB GLN 120 -2.030 0.184 12.869 866 HB3 GLN 120 1HB GLN 120 -1.114 -0.303 11.446 867 HG2 GLN 120 2HG GLN 120 -3.404 -0.846 11.078 868 HG3 GLN 120 1HG GLN 120 -2.568 -2.362 11.390 869 HE21 GLN 120 1HE2 GLN 120 -4.392 -3.389 11.998 870 HE22 GLN 120 2HE2 GLN 120 -5.256 -3.085 13.451 871 H VAL 121 H VAL 121 -1.447 -3.685 13.962 872 HA VAL 121 HA VAL 121 0.169 -5.165 12.084 873 HB VAL 121 HB VAL 121 -2.161 -6.109 13.821 874 HG11 VAL 121 1HG1 VAL 121 -1.710 -7.620 11.967 875 HG12 VAL 121 2HG1 VAL 121 -1.235 -8.365 13.493 876 HG13 VAL 121 3HG1 VAL 121 -0.007 -7.696 12.419 877 HG21 VAL 121 3HG2 VAL 121 -0.360 -5.223 15.219 878 HG22 VAL 121 1HG2 VAL 121 0.802 -6.256 14.388 879 HG23 VAL 121 2HG2 VAL 121 -0.465 -6.976 15.378 880 H MET 122 H MET 122 -0.491 -5.428 10.029 881 HA MET 122 HA MET 122 -2.985 -4.104 9.369 882 HB2 MET 122 2HB MET 122 -0.990 -3.355 8.247 883 HB3 MET 122 1HB MET 122 -0.654 -4.976 7.672 884 HG2 MET 122 2HG MET 122 -2.529 -4.893 6.179 885 HG3 MET 122 1HG MET 122 -3.061 -3.360 6.870 886 HE1 MET 122 3HE MET 122 -0.105 -5.124 4.916 887 HE2 MET 122 1HE MET 122 0.734 -4.234 6.190 888 HE3 MET 122 2HE MET 122 0.906 -3.735 4.506 889 H GLN 123 H GLN 123 -4.677 -4.957 8.569 890 HA GLN 123 HA GLN 123 -4.911 -7.868 8.499 891 HB2 GLN 123 2HB GLN 123 -7.057 -5.732 8.529 892 HB3 GLN 123 1HB GLN 123 -7.286 -7.455 8.768 893 HG2 GLN 123 2HG GLN 123 -6.060 -7.353 10.858 894 HG3 GLN 123 1HG GLN 123 -5.752 -5.636 10.606 895 HE21 GLN 123 1HE2 GLN 123 -8.108 -8.012 11.437 896 HE22 GLN 123 2HE2 GLN 123 -9.298 -6.917 12.044 897 H THR 124 H THR 124 -6.102 -8.818 6.705 898 HA THR 124 HA THR 124 -5.661 -7.475 4.244 899 HB THR 124 HB THR 124 -5.605 -9.935 4.271 900 HG1 THR 124 1HG THR 124 -7.896 -9.413 2.713 901 HG21 THR 124 3HG2 THR 124 -8.563 -9.809 4.904 902 HG22 THR 124 1HG2 THR 124 -7.303 -10.389 5.993 903 HG23 THR 124 2HG2 THR 124 -7.667 -11.278 4.514 904 H GLY 125 H GLY 125 -7.007 -6.164 3.114 905 HA2 GLY 125 2HA GLY 125 -9.121 -5.320 2.533 906 HA3 GLY 125 1HA GLY 125 -9.752 -5.936 4.061 907 H ASP 126 H ASP 126 -6.844 -4.645 4.765 908 HA ASP 126 HA ASP 126 -7.986 -2.448 6.170 909 HB2 ASP 126 2HB ASP 126 -5.925 -3.857 6.795 910 HB3 ASP 126 1HB ASP 126 -5.052 -2.880 5.627 911 H GLU 127 H GLU 127 -7.836 -0.271 5.690 912 HA GLU 127 HA GLU 127 -6.880 0.383 2.995 913 HB2 GLU 127 2HB GLU 127 -9.050 1.677 4.637 914 HB3 GLU 127 1HB GLU 127 -8.437 2.315 3.121 915 HG2 GLU 127 2HG GLU 127 -9.242 0.331 1.960 916 HG3 GLU 127 1HG GLU 127 -9.832 -0.325 3.489 917 H ILE 128 H ILE 128 -5.281 1.684 2.916 918 HA ILE 128 HA ILE 128 -4.417 3.177 5.311 919 HB ILE 128 HB ILE 128 -2.811 2.262 2.893 920 HG12 ILE 128 2HG1 ILE 128 -2.798 1.163 5.713 921 HG13 ILE 128 1HG1 ILE 128 -3.557 0.381 4.333 922 HG21 ILE 128 1HG2 ILE 128 -1.924 4.304 3.909 923 HG22 ILE 128 2HG2 ILE 128 -0.844 2.942 4.213 924 HG23 ILE 128 3HG2 ILE 128 -1.911 3.525 5.491 925 HD11 ILE 128 3HD1 ILE 128 -1.414 -0.627 4.847 926 HD12 ILE 128 1HD1 ILE 128 -0.617 0.937 4.664 927 HD13 ILE 128 2HD1 ILE 128 -1.367 0.160 3.269 928 H GLN 129 H GLN 129 -4.356 5.296 5.143 929 HA GLN 129 HA GLN 129 -4.717 6.366 2.468 930 HB2 GLN 129 2HB GLN 129 -6.830 6.612 3.696 931 HB3 GLN 129 1HB GLN 129 -6.006 7.481 4.979 932 HG2 GLN 129 2HG GLN 129 -5.480 9.291 3.482 933 HG3 GLN 129 1HG GLN 129 -6.138 8.397 2.118 934 HE21 GLN 129 1HE2 GLN 129 -6.827 10.982 3.138 935 HE22 GLN 129 2HE2 GLN 129 -8.522 10.944 3.495 936 H ILE 130 H ILE 130 -3.262 7.598 1.833 937 HA ILE 130 HA ILE 130 -1.425 8.845 3.762 938 HB ILE 130 HB ILE 130 -0.928 7.966 0.885 939 HG12 ILE 130 2HG1 ILE 130 0.133 6.798 3.472 940 HG13 ILE 130 1HG1 ILE 130 -1.096 6.068 2.450 941 HG21 ILE 130 1HG2 ILE 130 0.984 9.167 2.878 942 HG22 ILE 130 2HG2 ILE 130 0.352 9.940 1.420 943 HG23 ILE 130 3HG2 ILE 130 1.420 8.541 1.286 944 HD11 ILE 130 3HD1 ILE 130 1.776 6.557 1.694 945 HD12 ILE 130 1HD1 ILE 130 0.551 5.815 0.665 946 HD13 ILE 130 2HD1 ILE 130 1.066 5.007 2.146 947 H GLY 131 H GLY 131 -2.264 10.876 3.927 948 HA2 GLY 131 2HA GLY 131 -3.048 12.952 3.297 949 HA3 GLY 131 1HA GLY 131 -2.305 12.659 1.725 950 H LYS 132 H LYS 132 -3.677 12.471 0.043 951 HA LYS 132 HA LYS 132 -6.486 11.838 0.645 952 HB2 LYS 132 2HB LYS 132 -7.069 12.811 -1.501 953 HB3 LYS 132 1HB LYS 132 -6.097 13.951 -0.586 954 HG2 LYS 132 2HG LYS 132 -4.143 13.371 -1.907 955 HG3 LYS 132 1HG LYS 132 -5.085 12.174 -2.791 956 HD2 LYS 132 2HD LYS 132 -6.539 13.946 -3.635 957 HD3 LYS 132 1HD LYS 132 -5.592 15.147 -2.749 958 HE2 LYS 132 2HE LYS 132 -3.600 14.470 -4.017 959 HE3 LYS 132 1HE LYS 132 -4.588 13.327 -4.921 960 HZ1 LYS 132 3HZ LYS 132 -5.092 16.233 -4.854 961 HZ2 LYS 132 1HZ LYS 132 -5.794 15.109 -5.893 962 HZ3 LYS 132 2HZ LYS 132 -4.151 15.495 -6.028 963 H PHE 133 H PHE 133 -3.742 10.319 -0.319 964 HA PHE 133 HA PHE 133 -4.698 8.691 -2.481 965 HB2 PHE 133 2HB PHE 133 -2.373 8.317 -0.583 966 HB3 PHE 133 1HB PHE 133 -2.723 7.252 -1.923 967 HD1 PHE 133 1HD PHE 133 -1.657 10.667 -1.002 968 HD2 PHE 133 2HD PHE 133 -1.956 7.754 -4.080 969 HE1 PHE 133 1HE PHE 133 -0.135 11.995 -2.394 970 HE2 PHE 133 2HE PHE 133 -0.441 9.081 -5.487 971 HZ PHE 133 HZ PHE 133 0.476 11.201 -4.642 972 H ARG 134 H ARG 134 -5.863 6.908 -2.307 973 HA ARG 134 HA ARG 134 -6.171 5.705 0.364 974 HB2 ARG 134 2HB ARG 134 -8.289 6.568 -0.526 975 HB3 ARG 134 1HB ARG 134 -8.050 5.679 -2.018 976 HG2 ARG 134 2HG ARG 134 -9.714 4.578 -0.643 977 HG3 ARG 134 1HG ARG 134 -8.284 3.563 -0.788 978 HD2 ARG 134 2HD ARG 134 -9.197 3.549 1.491 979 HD3 ARG 134 1HD ARG 134 -7.570 4.225 1.459 980 HE ARG 134 HE ARG 134 -8.451 6.341 1.889 981 HH11 ARG 134 1HH1 ARG 134 -11.045 3.843 1.973 982 HH12 ARG 134 2HH1 ARG 134 -12.151 4.905 2.705 983 HH21 ARG 134 1HH2 ARG 134 -10.011 7.677 3.005 984 HH22 ARG 134 2HH2 ARG 134 -11.590 7.090 3.260 985 H LEU 135 H LEU 135 -5.130 3.866 0.577 986 HA LEU 135 HA LEU 135 -4.576 2.266 -1.808 987 HB2 LEU 135 2HB LEU 135 -2.943 2.460 0.748 988 HB3 LEU 135 1HB LEU 135 -2.570 1.448 -0.623 989 HG LEU 135 HG LEU 135 -2.276 3.628 -1.947 990 HD11 LEU 135 1HD1 LEU 135 -3.359 5.161 -0.436 991 HD12 LEU 135 2HD1 LEU 135 -1.667 5.611 -0.664 992 HD13 LEU 135 3HD1 LEU 135 -2.175 4.798 0.817 993 HD21 LEU 135 3HD2 LEU 135 0.011 3.967 -1.093 994 HD22 LEU 135 1HD2 LEU 135 -0.394 2.267 -1.320 995 HD23 LEU 135 2HD2 LEU 135 -0.390 2.961 0.301 996 H VAL 136 H VAL 136 -5.204 0.180 -1.678 997 HA VAL 136 HA VAL 136 -6.392 -0.646 0.883 998 HB VAL 136 HB VAL 136 -7.273 -1.618 -1.858 999 HG11 VAL 136 1HG1 VAL 136 -8.561 -1.907 0.856 1000 HG12 VAL 136 2HG1 VAL 136 -7.737 -3.176 -0.051 1001 HG13 VAL 136 3HG1 VAL 136 -9.236 -2.486 -0.667 1002 HG21 VAL 136 3HG2 VAL 136 -7.806 0.759 -1.673 1003 HG22 VAL 136 1HG2 VAL 136 -8.597 0.478 -0.125 1004 HG23 VAL 136 2HG2 VAL 136 -9.277 -0.209 -1.600 1005 H PHE 137 H PHE 137 -5.645 -2.471 1.730 1006 HA PHE 137 HA PHE 137 -3.619 -3.985 0.254 1007 HB2 PHE 137 2HB PHE 137 -2.901 -3.035 2.365 1008 HB3 PHE 137 1HB PHE 137 -4.291 -3.714 3.187 1009 HD1 PHE 137 2HD PHE 137 -1.144 -4.598 1.452 1010 HD2 PHE 137 1HD PHE 137 -4.199 -5.837 4.135 1011 HE1 PHE 137 2HE PHE 137 0.194 -6.569 2.072 1012 HE2 PHE 137 1HE PHE 137 -2.871 -7.802 4.756 1013 HZ PHE 137 HZ PHE 137 -0.676 -8.166 3.727 1014 H LEU 138 H LEU 138 -4.174 -5.976 -0.509 1015 HA LEU 138 HA LEU 138 -6.431 -7.365 0.775 1016 HB2 LEU 138 2HB LEU 138 -5.926 -7.333 -2.210 1017 HB3 LEU 138 1HB LEU 138 -7.187 -8.212 -1.394 1018 HG LEU 138 HG LEU 138 -8.043 -5.847 -0.701 1019 HD11 LEU 138 1HD1 LEU 138 -7.545 -4.097 -2.327 1020 HD12 LEU 138 2HD1 LEU 138 -6.345 -5.141 -3.084 1021 HD13 LEU 138 3HD1 LEU 138 -6.109 -4.583 -1.428 1022 HD21 LEU 138 3HD2 LEU 138 -8.238 -6.848 -3.539 1023 HD22 LEU 138 1HD2 LEU 138 -9.336 -5.696 -2.776 1024 HD23 LEU 138 2HD2 LEU 138 -9.240 -7.351 -2.178 1025 H ALA 139 H ALA 139 -6.067 -9.474 1.177 1026 HA ALA 139 HA ALA 139 -3.540 -10.617 0.384 1027 HB1 ALA 139 1HB ALA 139 -4.264 -12.545 1.730 1028 HB2 ALA 139 2HB ALA 139 -5.829 -11.772 1.980 1029 HB3 ALA 139 3HB ALA 139 -4.365 -11.037 2.638 1030 H GLY 140 H GLY 140 -3.249 -12.100 -1.166 1031 HA2 GLY 140 2HA GLY 140 -4.127 -13.930 -2.515 1032 HA3 GLY 140 1HA GLY 140 -5.649 -13.045 -2.584 1033 HA PRO 141 HA PRO 141 -2.296 -10.803 -5.404 1034 HB2 PRO 141 2HB PRO 141 -0.794 -13.168 -6.287 1035 HB3 PRO 141 1HB PRO 141 -0.187 -11.602 -5.737 1036 HG2 PRO 141 2HG PRO 141 0.086 -13.790 -4.226 1037 HG3 PRO 141 1HG PRO 141 -0.266 -12.212 -3.503 1038 HD2 PRO 141 2HD PRO 141 -2.133 -14.477 -4.077 1039 HD3 PRO 141 1HD PRO 141 -2.001 -13.465 -2.621 1040 H ALA 142 H ALA 142 -2.269 -10.705 -7.688 1041 HA ALA 142 HA ALA 142 -4.216 -12.487 -8.952 1042 HB1 ALA 142 1HB ALA 142 -3.131 -9.791 -9.813 1043 HB2 ALA 142 2HB ALA 142 -4.695 -10.071 -9.051 1044 HB3 ALA 142 3HB ALA 142 -4.374 -10.711 -10.663 1045 H GLU 143 H GLU 143 -2.098 -13.825 -8.605 1046 HA GLU 143 HA GLU 143 0.044 -13.386 -10.491 1047 HB2 GLU 143 2HB GLU 143 0.396 -14.288 -8.175 1048 HB3 GLU 143 1HB GLU 143 -0.476 -15.735 -8.649 1049 HG2 GLU 143 2HG GLU 143 1.842 -16.231 -8.726 1050 HG3 GLU 143 1HG GLU 143 1.271 -16.129 -10.389 Start of MODEL 21 1 H1 MET 1 1HT MET 1 24.706 -14.826 22.097 2 H2 MET 1 2HT MET 1 25.908 -15.800 21.470 3 H3 MET 1 3HT MET 1 24.273 -16.180 21.217 4 HA MET 1 HA MET 1 25.598 -13.754 20.208 5 HB2 MET 1 2HB MET 1 24.715 -16.238 18.711 6 HB3 MET 1 1HB MET 1 25.241 -14.746 17.949 7 HG2 MET 1 2HG MET 1 26.904 -16.533 19.708 8 HG3 MET 1 1HG MET 1 27.019 -16.391 17.956 9 HE1 MET 1 2HE MET 1 30.337 -14.704 19.222 10 HE2 MET 1 3HE MET 1 29.643 -15.972 18.211 11 HE3 MET 1 1HE MET 1 29.512 -16.074 19.966 12 H SER 2 H SER 2 24.069 -12.343 20.813 13 HA SER 2 HA SER 2 21.398 -12.722 19.679 14 HB2 SER 2 2HB SER 2 22.136 -11.418 22.310 15 HB3 SER 2 1HB SER 2 20.514 -11.555 21.638 16 HG SER 2 HG SER 2 20.653 -13.173 23.002 17 H ASP 3 H ASP 3 20.306 -10.462 19.640 18 HA ASP 3 HA ASP 3 22.057 -8.575 18.333 19 HB2 ASP 3 2HB ASP 3 20.024 -7.267 17.880 20 HB3 ASP 3 1HB ASP 3 19.769 -8.947 17.435 21 H ASN 4 H ASN 4 22.013 -6.292 18.989 22 HA ASN 4 HA ASN 4 21.927 -6.083 21.928 23 HB2 ASN 4 2HB ASN 4 23.766 -4.609 21.914 24 HB3 ASN 4 1HB ASN 4 24.197 -5.777 20.673 25 HD21 ASN 4 1HD2 ASN 4 24.192 -5.101 18.479 26 HD22 ASN 4 2HD2 ASN 4 24.134 -3.433 18.049 27 H ASN 5 H ASN 5 21.031 -4.222 22.791 28 HA ASN 5 HA ASN 5 19.709 -2.454 20.864 29 HB2 ASN 5 2HB ASN 5 18.160 -3.953 22.302 30 HB3 ASN 5 1HB ASN 5 18.700 -2.997 23.675 31 HD21 ASN 5 1HD2 ASN 5 16.913 -2.965 20.709 32 HD22 ASN 5 2HD2 ASN 5 16.060 -1.486 20.975 33 H GLY 6 H GLY 6 22.322 -2.688 22.348 34 HA2 GLY 6 2HA GLY 6 22.515 -0.569 24.213 35 HA3 GLY 6 1HA GLY 6 23.857 -1.319 23.344 36 H THR 7 H THR 7 22.935 -0.854 20.745 37 HA THR 7 HA THR 7 23.028 2.066 20.659 38 HB THR 7 HB THR 7 23.679 0.060 18.484 39 HG1 THR 7 1HG THR 7 25.373 1.704 20.038 40 HG21 THR 7 3HG2 THR 7 24.115 3.055 18.634 41 HG22 THR 7 1HG2 THR 7 22.924 2.238 17.623 42 HG23 THR 7 2HG2 THR 7 24.646 2.004 17.320 43 HA PRO 8 HA PRO 8 18.845 1.347 19.035 44 HB2 PRO 8 2HB PRO 8 17.867 3.781 19.686 45 HB3 PRO 8 1HB PRO 8 17.988 2.493 20.891 46 HG2 PRO 8 2HG PRO 8 19.753 4.860 20.460 47 HG3 PRO 8 1HG PRO 8 19.245 4.098 21.975 48 HD2 PRO 8 2HD PRO 8 21.687 3.711 20.753 49 HD3 PRO 8 1HD PRO 8 20.960 2.591 21.919 50 H GLU 9 H GLU 9 18.068 2.150 16.978 51 HA GLU 9 HA GLU 9 19.820 4.238 15.963 52 HB2 GLU 9 2HB GLU 9 19.395 3.373 13.670 53 HB3 GLU 9 1HB GLU 9 20.271 2.262 14.701 54 HG2 GLU 9 2HG GLU 9 18.192 1.000 15.064 55 HG3 GLU 9 1HG GLU 9 17.355 2.108 13.977 56 HA PRO 10 HA PRO 10 16.023 6.375 15.233 57 HB2 PRO 10 2HB PRO 10 16.848 8.751 16.065 58 HB3 PRO 10 1HB PRO 10 16.537 7.467 17.240 59 HG2 PRO 10 2HG PRO 10 19.121 8.579 16.308 60 HG3 PRO 10 1HG PRO 10 18.728 7.790 17.845 61 HD2 PRO 10 2HD PRO 10 19.945 6.612 15.506 62 HD3 PRO 10 1HD PRO 10 19.546 5.844 17.059 63 H GLN 11 H GLN 11 15.688 8.367 13.917 64 HA GLN 11 HA GLN 11 17.868 8.891 12.041 65 HB2 GLN 11 2HB GLN 11 14.950 8.434 11.358 66 HB3 GLN 11 1HB GLN 11 16.027 9.305 10.296 67 HG2 GLN 11 2HG GLN 11 15.874 7.108 9.441 68 HG3 GLN 11 1HG GLN 11 17.453 7.224 10.193 69 HE21 GLN 11 1HE2 GLN 11 14.449 6.740 11.983 70 HE22 GLN 11 2HE2 GLN 11 14.808 5.115 12.442 71 H VAL 12 H VAL 12 17.543 10.986 10.947 72 HA VAL 12 HA VAL 12 16.097 12.898 12.659 73 HB VAL 12 HB VAL 12 18.258 13.394 10.546 74 HG11 VAL 12 1HG1 VAL 12 18.314 15.686 11.416 75 HG12 VAL 12 2HG1 VAL 12 17.002 15.288 12.524 76 HG13 VAL 12 3HG1 VAL 12 16.722 15.265 10.785 77 HG21 VAL 12 3HG2 VAL 12 19.756 13.974 12.413 78 HG22 VAL 12 1HG2 VAL 12 19.233 12.291 12.484 79 HG23 VAL 12 2HG2 VAL 12 18.501 13.486 13.551 80 H GLU 13 H GLU 13 14.252 13.633 11.661 81 HA GLU 13 HA GLU 13 13.888 12.484 9.002 82 HB2 GLU 13 2HB GLU 13 13.126 11.021 10.817 83 HB3 GLU 13 1HB GLU 13 12.046 12.277 11.380 84 HG2 GLU 13 2HG GLU 13 11.051 10.395 10.028 85 HG3 GLU 13 1HG GLU 13 10.646 12.039 9.526 86 H THR 14 H THR 14 12.114 13.308 7.767 87 HA THR 14 HA THR 14 11.204 15.953 8.548 88 HB THR 14 HB THR 14 12.096 15.194 5.761 89 HG1 THR 14 1HG THR 14 13.572 15.833 7.880 90 HG21 THR 14 3HG2 THR 14 11.386 17.864 7.004 91 HG22 THR 14 1HG2 THR 14 10.378 16.952 5.879 92 HG23 THR 14 2HG2 THR 14 11.923 17.610 5.343 93 H TPO 15 H TPO 15 9.261 15.427 8.857 94 HA TPO 15 HA TPO 15 7.560 14.341 6.657 95 HB TPO 15 HB TPO 15 6.524 14.444 9.488 96 HG21 TPO 15 1HG2 TPO 15 5.177 12.546 8.732 97 HG22 TPO 15 2HG2 TPO 15 6.002 12.580 7.174 98 HG23 TPO 15 3HG2 TPO 15 4.985 13.935 7.661 99 H SER 16 H SER 16 5.872 15.734 5.997 100 HA SER 16 HA SER 16 5.715 18.264 7.439 101 HB2 SER 16 2HB SER 16 4.951 17.523 4.631 102 HB3 SER 16 1HB SER 16 4.821 19.142 5.320 103 HG SER 16 HG SER 16 7.148 17.591 4.917 104 H VAL 17 H VAL 17 3.594 19.150 7.802 105 HA VAL 17 HA VAL 17 1.490 17.096 7.915 106 HB VAL 17 HB VAL 17 1.900 19.529 9.671 107 HG11 VAL 17 1HG1 VAL 17 -0.461 19.069 9.404 108 HG12 VAL 17 2HG1 VAL 17 0.062 18.659 11.039 109 HG13 VAL 17 3HG1 VAL 17 -0.203 17.382 9.852 110 HG21 VAL 17 3HG2 VAL 17 2.228 16.602 10.303 111 HG22 VAL 17 1HG2 VAL 17 2.351 17.918 11.470 112 HG23 VAL 17 2HG2 VAL 17 3.523 17.793 10.157 113 H PHE 18 H PHE 18 -0.039 17.487 6.319 114 HA PHE 18 HA PHE 18 -0.905 20.272 6.176 115 HB2 PHE 18 2HB PHE 18 -1.528 20.042 3.814 116 HB3 PHE 18 1HB PHE 18 0.162 19.620 4.004 117 HD1 PHE 18 1HD PHE 18 -3.194 18.394 3.232 118 HD2 PHE 18 2HD PHE 18 0.907 17.353 3.578 119 HE1 PHE 18 1HE PHE 18 -3.637 16.301 2.033 120 HE2 PHE 18 2HE PHE 18 0.471 15.252 2.387 121 HZ PHE 18 HZ PHE 18 -1.805 14.720 1.616 122 H ARG 19 H ARG 19 -2.933 20.632 6.741 123 HA ARG 19 HA ARG 19 -4.677 18.284 6.922 124 HB2 ARG 19 2HB ARG 19 -4.938 20.928 8.398 125 HB3 ARG 19 1HB ARG 19 -5.984 19.529 8.604 126 HG2 ARG 19 2HG ARG 19 -4.053 18.229 9.414 127 HG3 ARG 19 1HG ARG 19 -3.049 19.669 9.266 128 HD2 ARG 19 2HD ARG 19 -3.704 19.387 11.547 129 HD3 ARG 19 1HD ARG 19 -4.529 20.798 10.899 130 HE ARG 19 HE ARG 19 -6.522 19.377 10.696 131 HH11 ARG 19 1HH1 ARG 19 -3.959 18.320 12.942 132 HH12 ARG 19 2HH1 ARG 19 -5.013 17.453 13.945 133 HH21 ARG 19 1HH2 ARG 19 -7.945 18.196 12.082 134 HH22 ARG 19 2HH2 ARG 19 -7.344 17.365 13.454 135 H ALA 20 H ALA 20 -5.476 18.195 4.966 136 HA ALA 20 HA ALA 20 -6.641 20.637 3.831 137 HB1 ALA 20 1HB ALA 20 -6.108 19.727 1.628 138 HB2 ALA 20 2HB ALA 20 -5.483 18.258 2.382 139 HB3 ALA 20 3HB ALA 20 -4.675 19.798 2.649 140 H ASP 21 H ASP 21 -7.806 19.068 1.630 141 HA ASP 21 HA ASP 21 -10.443 18.926 2.637 142 HB2 ASP 21 2HB ASP 21 -9.685 19.678 0.344 143 HB3 ASP 21 1HB ASP 21 -9.407 17.995 -0.054 144 H LEU 22 H LEU 22 -8.028 16.707 2.809 145 HA LEU 22 HA LEU 22 -9.191 14.229 2.354 146 HB2 LEU 22 2HB LEU 22 -7.474 13.304 3.875 147 HB3 LEU 22 1HB LEU 22 -6.820 14.425 2.710 148 HG LEU 22 HG LEU 22 -6.931 16.155 4.656 149 HD11 LEU 22 1HD1 LEU 22 -6.641 15.208 6.891 150 HD12 LEU 22 2HD1 LEU 22 -7.006 13.603 6.255 151 HD13 LEU 22 3HD1 LEU 22 -8.237 14.860 6.224 152 HD21 LEU 22 3HD2 LEU 22 -4.868 15.329 3.676 153 HD22 LEU 22 1HD2 LEU 22 -4.947 13.892 4.693 154 HD23 LEU 22 2HD2 LEU 22 -4.715 15.480 5.425 155 H LEU 23 H LEU 23 -9.767 16.445 4.969 156 HA LEU 23 HA LEU 23 -10.934 14.604 6.734 157 HB2 LEU 23 2HB LEU 23 -11.946 16.658 7.780 158 HB3 LEU 23 1HB LEU 23 -10.204 16.622 7.702 159 HG LEU 23 HG LEU 23 -10.424 18.168 5.663 160 HD11 LEU 23 1HD1 LEU 23 -13.219 18.520 6.720 161 HD12 LEU 23 2HD1 LEU 23 -12.767 17.835 5.159 162 HD13 LEU 23 3HD1 LEU 23 -12.431 19.531 5.508 163 HD21 LEU 23 3HD2 LEU 23 -11.309 19.156 8.364 164 HD22 LEU 23 1HD2 LEU 23 -10.682 20.167 7.063 165 HD23 LEU 23 2HD2 LEU 23 -9.645 18.953 7.814 166 H LYS 24 H LYS 24 -12.049 16.085 3.882 167 HA LYS 24 HA LYS 24 -14.858 15.564 4.381 168 HB2 LYS 24 2HB LYS 24 -14.129 17.566 3.178 169 HB3 LYS 24 1HB LYS 24 -13.375 16.565 1.948 170 HG2 LYS 24 2HG LYS 24 -15.659 15.639 1.433 171 HG3 LYS 24 1HG LYS 24 -16.317 16.871 2.515 172 HD2 LYS 24 2HD LYS 24 -14.574 17.436 0.123 173 HD3 LYS 24 1HD LYS 24 -16.334 17.550 0.122 174 HE2 LYS 24 2HE LYS 24 -16.286 19.373 1.632 175 HE3 LYS 24 1HE LYS 24 -14.585 19.110 2.016 176 HZ1 LYS 24 3HZ LYS 24 -13.950 19.771 -0.088 177 HZ2 LYS 24 1HZ LYS 24 -14.986 20.966 0.458 178 HZ3 LYS 24 2HZ LYS 24 -15.526 19.845 -0.695 179 H GLU 25 H GLU 25 -12.080 14.244 2.722 180 HA GLU 25 HA GLU 25 -13.277 12.426 1.011 181 HB2 GLU 25 2HB GLU 25 -10.656 12.241 2.504 182 HB3 GLU 25 1HB GLU 25 -11.151 11.096 1.269 183 HG2 GLU 25 2HG GLU 25 -10.799 14.055 0.831 184 HG3 GLU 25 1HG GLU 25 -9.608 12.819 0.421 185 H MET 26 H MET 26 -12.391 12.076 4.377 186 HA MET 26 HA MET 26 -13.470 9.390 4.530 187 HB2 MET 26 2HB MET 26 -12.762 9.402 6.838 188 HB3 MET 26 1HB MET 26 -11.474 10.017 5.813 189 HG2 MET 26 2HG MET 26 -12.233 12.336 6.459 190 HG3 MET 26 1HG MET 26 -13.283 11.573 7.648 191 HE1 MET 26 3HE MET 26 -8.689 11.408 7.656 192 HE2 MET 26 1HE MET 26 -9.666 12.276 6.477 193 HE3 MET 26 2HE MET 26 -9.643 10.507 6.486 194 H GLU 27 H GLU 27 -14.946 12.253 4.380 195 HA GLU 27 HA GLU 27 -17.013 11.687 6.356 196 HB2 GLU 27 2HB GLU 27 -16.257 14.034 6.041 197 HB3 GLU 27 1HB GLU 27 -16.749 13.950 4.357 198 HG2 GLU 27 2HG GLU 27 -18.434 15.131 5.501 199 HG3 GLU 27 1HG GLU 27 -19.082 13.538 5.151 200 H SER 28 H SER 28 -16.613 12.117 2.861 201 HA SER 28 HA SER 28 -19.195 11.413 2.112 202 HB2 SER 28 2HB SER 28 -16.621 11.147 0.554 203 HB3 SER 28 1HB SER 28 -18.247 11.186 -0.134 204 HG SER 28 HG SER 28 -18.336 13.250 1.199 205 H SER 29 H SER 29 -16.290 9.327 2.467 206 HA SER 29 HA SER 29 -17.727 7.002 1.669 207 HB2 SER 29 2HB SER 29 -15.635 5.889 2.583 208 HB3 SER 29 1HB SER 29 -15.376 7.046 1.275 209 HG SER 29 HG SER 29 -14.088 7.124 3.389 210 H THR 30 H THR 30 -16.926 8.629 4.627 211 HA THR 30 HA THR 30 -17.725 8.571 6.713 212 HB THR 30 HB THR 30 -19.607 6.360 5.811 213 HG1 THR 30 1HG THR 30 -19.539 9.057 5.316 214 HG21 THR 30 3HG2 THR 30 -20.976 7.064 7.723 215 HG22 THR 30 1HG2 THR 30 -19.776 8.286 8.150 216 HG23 THR 30 2HG2 THR 30 -19.371 6.575 8.268 217 H GLY 31 H GLY 31 -17.479 5.260 5.468 218 HA2 GLY 31 2HA GLY 31 -15.464 4.688 7.483 219 HA3 GLY 31 1HA GLY 31 -16.903 3.673 7.478 220 H THR 32 H THR 32 -15.324 1.956 6.997 221 HA THR 32 HA THR 32 -14.436 1.979 4.225 222 HB THR 32 HB THR 32 -13.614 0.310 6.611 223 HG1 THR 32 1HG THR 32 -12.377 2.409 5.152 224 HG21 THR 32 3HG2 THR 32 -13.420 -0.996 4.517 225 HG22 THR 32 1HG2 THR 32 -11.827 -0.589 5.167 226 HG23 THR 32 2HG2 THR 32 -12.483 0.312 3.800 227 H ALA 33 H ALA 33 -15.199 0.476 2.805 228 HA ALA 33 HA ALA 33 -17.405 -1.197 3.648 229 HB1 ALA 33 1HB ALA 33 -17.709 -1.555 1.227 230 HB2 ALA 33 2HB ALA 33 -16.267 -0.594 0.908 231 HB3 ALA 33 3HB ALA 33 -17.688 0.162 1.629 232 HA PRO 34 HA PRO 34 -14.453 -4.554 4.161 233 HB2 PRO 34 2HB PRO 34 -16.919 -6.200 3.961 234 HB3 PRO 34 1HB PRO 34 -15.670 -6.196 5.211 235 HG2 PRO 34 2HG PRO 34 -18.021 -5.090 5.701 236 HG3 PRO 34 1HG PRO 34 -16.531 -4.294 6.241 237 HD2 PRO 34 2HD PRO 34 -18.250 -3.669 3.870 238 HD3 PRO 34 1HD PRO 34 -17.496 -2.566 5.051 239 H ALA 35 H ALA 35 -13.584 -6.207 2.972 240 HA ALA 35 HA ALA 35 -14.201 -6.189 0.144 241 HB1 ALA 35 1HB ALA 35 -12.026 -7.593 1.705 242 HB2 ALA 35 2HB ALA 35 -11.864 -6.054 0.858 243 HB3 ALA 35 3HB ALA 35 -12.156 -7.537 -0.052 244 H SER 36 H SER 36 -14.256 -8.378 -0.988 245 HA SER 36 HA SER 36 -16.304 -9.914 0.143 246 HB2 SER 36 2HB SER 36 -14.500 -10.529 -2.205 247 HB3 SER 36 1HB SER 36 -15.984 -11.395 -1.801 248 HG SER 36 HG SER 36 -17.131 -9.505 -2.083 249 H THR 37 H THR 37 -16.248 -11.397 1.576 250 HA THR 37 HA THR 37 -14.125 -12.386 2.948 251 HB THR 37 HB THR 37 -16.753 -13.770 2.419 252 HG1 THR 37 1HG THR 37 -17.687 -12.277 3.704 253 HG21 THR 37 3HG2 THR 37 -15.153 -14.988 3.832 254 HG22 THR 37 1HG2 THR 37 -16.521 -14.426 4.791 255 HG23 THR 37 2HG2 THR 37 -14.979 -13.570 4.864 256 H GLY 38 H GLY 38 -12.747 -14.154 2.644 257 HA2 GLY 38 2HA GLY 38 -12.502 -16.336 1.530 258 HA3 GLY 38 1HA GLY 38 -12.941 -15.484 0.043 259 H ALA 39 H ALA 39 -11.649 -13.059 0.925 260 HA ALA 39 HA ALA 39 -9.054 -13.577 -0.100 261 HB1 ALA 39 1HB ALA 39 -8.657 -11.175 0.215 262 HB2 ALA 39 2HB ALA 39 -10.141 -11.057 1.161 263 HB3 ALA 39 3HB ALA 39 -10.219 -11.470 -0.551 264 H GLU 40 H GLU 40 -10.410 -13.132 3.061 265 HA GLU 40 HA GLU 40 -7.898 -12.878 4.406 266 HB2 GLU 40 2HB GLU 40 -9.457 -13.201 6.491 267 HB3 GLU 40 1HB GLU 40 -9.456 -11.701 5.588 268 HG2 GLU 40 2HG GLU 40 -11.684 -12.440 6.208 269 HG3 GLU 40 1HG GLU 40 -11.502 -12.333 4.460 270 H ASN 41 H ASN 41 -9.068 -15.269 2.985 271 HA ASN 41 HA ASN 41 -8.497 -17.444 4.786 272 HB2 ASN 41 2HB ASN 41 -9.367 -17.207 1.994 273 HB3 ASN 41 1HB ASN 41 -8.317 -18.581 2.292 274 HD21 ASN 41 1HD2 ASN 41 -9.040 -20.228 3.622 275 HD22 ASN 41 2HD2 ASN 41 -10.704 -20.398 4.049 276 H LEU 42 H LEU 42 -6.697 -15.329 2.867 277 HA LEU 42 HA LEU 42 -4.527 -15.151 2.248 278 HB2 LEU 42 2HB LEU 42 -4.503 -16.362 4.915 279 HB3 LEU 42 1HB LEU 42 -2.949 -16.338 4.091 280 HG LEU 42 HG LEU 42 -3.133 -14.484 5.637 281 HD11 LEU 42 1HD1 LEU 42 -1.883 -14.053 3.640 282 HD12 LEU 42 2HD1 LEU 42 -2.723 -12.590 4.152 283 HD13 LEU 42 3HD1 LEU 42 -3.339 -13.529 2.796 284 HD21 LEU 42 3HD2 LEU 42 -4.820 -12.712 5.375 285 HD22 LEU 42 1HD2 LEU 42 -5.551 -14.269 5.767 286 HD23 LEU 42 2HD2 LEU 42 -5.607 -13.662 4.114 287 HA PRO 43 HA PRO 43 -4.506 -19.403 0.355 288 HB2 PRO 43 2HB PRO 43 -4.184 -18.492 -2.223 289 HB3 PRO 43 1HB PRO 43 -5.741 -18.784 -1.447 290 HG2 PRO 43 2HG PRO 43 -4.266 -16.206 -1.807 291 HG3 PRO 43 1HG PRO 43 -5.995 -16.536 -1.997 292 HD2 PRO 43 2HD PRO 43 -5.008 -15.347 0.189 293 HD3 PRO 43 1HD PRO 43 -6.382 -16.467 0.278 294 H ALA 44 H ALA 44 -2.509 -16.804 -1.011 295 HA ALA 44 HA ALA 44 -0.305 -18.642 -1.403 296 HB1 ALA 44 1HB ALA 44 0.868 -16.771 -2.414 297 HB2 ALA 44 2HB ALA 44 -0.390 -15.666 -1.857 298 HB3 ALA 44 3HB ALA 44 -0.768 -16.901 -3.059 299 H GLY 45 H GLY 45 -1.246 -16.434 1.035 300 HA2 GLY 45 2HA GLY 45 -0.230 -16.203 3.143 301 HA3 GLY 45 1HA GLY 45 1.225 -16.969 2.500 302 H SER 46 H SER 46 0.465 -14.874 0.250 303 HA SER 46 HA SER 46 1.978 -12.668 1.434 304 HB2 SER 46 2HB SER 46 1.737 -13.458 -1.481 305 HB3 SER 46 1HB SER 46 2.791 -12.213 -0.813 306 HG SER 46 HG SER 46 3.711 -14.004 0.472 307 H ALA 47 H ALA 47 1.299 -10.523 0.641 308 HA ALA 47 HA ALA 47 -1.421 -10.393 -0.351 309 HB1 ALA 47 1HB ALA 47 -1.606 -10.385 2.089 310 HB2 ALA 47 2HB ALA 47 -2.038 -8.811 1.418 311 HB3 ALA 47 3HB ALA 47 -0.463 -9.045 2.174 312 H LEU 48 H LEU 48 -1.962 -8.205 -1.051 313 HA LEU 48 HA LEU 48 0.342 -6.577 -1.687 314 HB2 LEU 48 2HB LEU 48 -0.305 -6.382 -4.035 315 HB3 LEU 48 1HB LEU 48 0.034 -8.037 -3.630 316 HG LEU 48 HG LEU 48 -1.717 -8.059 -5.179 317 HD11 LEU 48 1HD1 LEU 48 -3.600 -9.108 -4.120 318 HD12 LEU 48 2HD1 LEU 48 -3.006 -8.575 -2.549 319 HD13 LEU 48 3HD1 LEU 48 -2.050 -9.695 -3.517 320 HD21 LEU 48 3HD2 LEU 48 -3.238 -6.053 -3.519 321 HD22 LEU 48 1HD2 LEU 48 -3.874 -6.877 -4.945 322 HD23 LEU 48 2HD2 LEU 48 -2.502 -5.779 -5.099 323 H LEU 49 H LEU 49 -0.316 -4.419 -2.353 324 HA LEU 49 HA LEU 49 -3.058 -3.886 -1.618 325 HB2 LEU 49 2HB LEU 49 -2.462 -1.757 -0.516 326 HB3 LEU 49 1HB LEU 49 -1.874 -3.158 0.339 327 HG LEU 49 HG LEU 49 -0.086 -1.472 -1.417 328 HD11 LEU 49 1HD1 LEU 49 -0.636 -1.260 1.543 329 HD12 LEU 49 2HD1 LEU 49 -1.108 -0.077 0.323 330 HD13 LEU 49 3HD1 LEU 49 0.598 -0.366 0.658 331 HD21 LEU 49 3HD2 LEU 49 1.669 -2.468 -0.042 332 HD22 LEU 49 1HD2 LEU 49 0.716 -3.729 -0.826 333 HD23 LEU 49 2HD2 LEU 49 0.457 -3.361 0.879 334 H VAL 50 H VAL 50 -4.078 -2.326 -2.655 335 HA VAL 50 HA VAL 50 -2.743 -1.475 -5.119 336 HB VAL 50 HB VAL 50 -4.468 -3.184 -5.527 337 HG11 VAL 50 1HG1 VAL 50 -6.844 -2.743 -5.140 338 HG12 VAL 50 2HG1 VAL 50 -6.421 -1.262 -4.284 339 HG13 VAL 50 3HG1 VAL 50 -5.927 -2.824 -3.635 340 HG21 VAL 50 3HG2 VAL 50 -5.809 -1.994 -7.199 341 HG22 VAL 50 1HG2 VAL 50 -4.112 -1.522 -7.257 342 HG23 VAL 50 2HG2 VAL 50 -5.298 -0.454 -6.506 343 H VAL 51 H VAL 51 -2.966 0.628 -5.748 344 HA VAL 51 HA VAL 51 -3.852 2.477 -3.685 345 HB VAL 51 HB VAL 51 -2.863 3.135 -6.466 346 HG11 VAL 51 1HG1 VAL 51 -2.809 4.720 -3.900 347 HG12 VAL 51 2HG1 VAL 51 -3.926 4.961 -5.236 348 HG13 VAL 51 3HG1 VAL 51 -2.205 5.268 -5.464 349 HG21 VAL 51 3HG2 VAL 51 -1.168 2.755 -3.988 350 HG22 VAL 51 1HG2 VAL 51 -0.603 3.335 -5.552 351 HG23 VAL 51 2HG2 VAL 51 -1.206 1.689 -5.391 352 H LYS 52 H LYS 52 -5.760 3.171 -3.518 353 HA LYS 52 HA LYS 52 -7.785 2.460 -5.453 354 HB2 LYS 52 2HB LYS 52 -8.005 2.112 -3.012 355 HB3 LYS 52 1HB LYS 52 -7.972 3.848 -2.781 356 HG2 LYS 52 2HG LYS 52 -10.233 3.083 -2.633 357 HG3 LYS 52 1HG LYS 52 -10.059 4.002 -4.125 358 HD2 LYS 52 2HD LYS 52 -9.951 2.001 -5.424 359 HD3 LYS 52 1HD LYS 52 -9.846 1.013 -3.967 360 HE2 LYS 52 2HE LYS 52 -12.211 2.708 -4.755 361 HE3 LYS 52 1HE LYS 52 -12.094 0.967 -4.985 362 HZ1 LYS 52 3HZ LYS 52 -12.158 2.417 -2.377 363 HZ2 LYS 52 1HZ LYS 52 -11.867 0.757 -2.523 364 HZ3 LYS 52 2HZ LYS 52 -13.317 1.380 -3.011 365 H ARG 53 H ARG 53 -6.175 5.249 -4.149 366 HA ARG 53 HA ARG 53 -7.262 6.985 -6.210 367 HB2 ARG 53 2HB ARG 53 -8.876 7.055 -4.258 368 HB3 ARG 53 1HB ARG 53 -7.558 7.619 -3.251 369 HG2 ARG 53 2HG ARG 53 -8.927 9.493 -3.875 370 HG3 ARG 53 1HG ARG 53 -7.377 9.624 -4.704 371 HD2 ARG 53 2HD ARG 53 -8.362 8.730 -6.737 372 HD3 ARG 53 1HD ARG 53 -9.906 8.514 -5.918 373 HE ARG 53 HE ARG 53 -9.509 11.099 -5.571 374 HH11 ARG 53 1HH1 ARG 53 -9.237 9.091 -8.507 375 HH12 ARG 53 2HH1 ARG 53 -9.606 10.333 -9.582 376 HH21 ARG 53 1HH2 ARG 53 -10.032 12.852 -7.084 377 HH22 ARG 53 2HH2 ARG 53 -10.037 12.550 -8.751 378 H GLY 54 H GLY 54 -5.736 8.679 -6.579 379 HA2 GLY 54 2HA GLY 54 -3.970 9.988 -5.271 380 HA3 GLY 54 1HA GLY 54 -3.279 8.395 -5.012 381 HA PRO 55 HA PRO 55 -1.588 10.134 -9.008 382 HB2 PRO 55 2HB PRO 55 1.026 9.494 -7.903 383 HB3 PRO 55 1HB PRO 55 0.424 11.055 -8.458 384 HG2 PRO 55 2HG PRO 55 0.942 10.478 -5.840 385 HG3 PRO 55 1HG PRO 55 -0.246 11.677 -6.373 386 HD2 PRO 55 2HD PRO 55 -0.662 8.905 -5.366 387 HD3 PRO 55 1HD PRO 55 -1.654 10.357 -5.121 388 H ASN 56 H ASN 56 -0.683 7.541 -6.915 389 HA ASN 56 HA ASN 56 0.343 5.812 -8.999 390 HB2 ASN 56 2HB ASN 56 -0.154 5.268 -6.072 391 HB3 ASN 56 1HB ASN 56 0.893 4.357 -7.150 392 HD21 ASN 56 1HD2 ASN 56 2.979 5.119 -7.504 393 HD22 ASN 56 2HD2 ASN 56 3.638 6.416 -6.596 394 H ALA 57 H ALA 57 -2.705 6.672 -8.455 395 HA ALA 57 HA ALA 57 -4.104 4.437 -7.508 396 HB1 ALA 57 1HB ALA 57 -5.101 6.673 -7.707 397 HB2 ALA 57 2HB ALA 57 -6.094 5.426 -8.468 398 HB3 ALA 57 3HB ALA 57 -5.107 6.495 -9.461 399 H GLY 58 H GLY 58 -4.704 2.604 -8.305 400 HA2 GLY 58 2HA GLY 58 -5.457 1.206 -10.061 401 HA3 GLY 58 1HA GLY 58 -4.541 2.190 -11.196 402 H ALA 59 H ALA 59 -2.290 2.139 -9.090 403 HA ALA 59 HA ALA 59 -1.084 -0.267 -10.156 404 HB1 ALA 59 1HB ALA 59 0.112 1.875 -8.390 405 HB2 ALA 59 2HB ALA 59 0.212 1.835 -10.148 406 HB3 ALA 59 3HB ALA 59 0.996 0.578 -9.193 407 H ARG 60 H ARG 60 0.020 -1.766 -8.762 408 HA ARG 60 HA ARG 60 -0.925 -1.895 -6.011 409 HB2 ARG 60 2HB ARG 60 -1.524 -4.260 -6.278 410 HB3 ARG 60 1HB ARG 60 -2.494 -3.279 -7.368 411 HG2 ARG 60 2HG ARG 60 -0.997 -3.862 -9.213 412 HG3 ARG 60 1HG ARG 60 -0.046 -4.857 -8.121 413 HD2 ARG 60 2HD ARG 60 -2.001 -6.302 -7.748 414 HD3 ARG 60 1HD ARG 60 -2.942 -5.302 -8.860 415 HE ARG 60 HE ARG 60 -0.479 -6.307 -9.920 416 HH11 ARG 60 1HH1 ARG 60 -3.897 -7.212 -9.447 417 HH12 ARG 60 2HH1 ARG 60 -3.985 -8.114 -10.887 418 HH21 ARG 60 1HH2 ARG 60 -0.651 -7.568 -11.909 419 HH22 ARG 60 2HH2 ARG 60 -2.119 -8.331 -12.291 420 H PHE 61 H PHE 61 0.490 -3.196 -4.728 421 HA PHE 61 HA PHE 61 2.748 -4.388 -6.027 422 HB2 PHE 61 2HB PHE 61 4.438 -3.263 -4.589 423 HB3 PHE 61 1HB PHE 61 3.638 -2.148 -5.678 424 HD1 PHE 61 1HD PHE 61 1.925 -0.557 -4.741 425 HD2 PHE 61 2HD PHE 61 4.407 -2.965 -2.254 426 HE1 PHE 61 1HE PHE 61 1.488 0.952 -2.847 427 HE2 PHE 61 2HE PHE 61 3.967 -1.460 -0.357 428 HZ PHE 61 HZ PHE 61 2.507 0.499 -0.653 429 H LEU 62 H LEU 62 3.731 -5.973 -4.835 430 HA LEU 62 HA LEU 62 2.142 -6.803 -2.529 431 HB2 LEU 62 2HB LEU 62 2.598 -9.125 -3.010 432 HB3 LEU 62 1HB LEU 62 1.884 -8.373 -4.411 433 HG LEU 62 HG LEU 62 4.860 -8.866 -4.210 434 HD11 LEU 62 1HD1 LEU 62 4.439 -10.904 -5.512 435 HD12 LEU 62 2HD1 LEU 62 2.702 -10.658 -5.310 436 HD13 LEU 62 3HD1 LEU 62 3.716 -10.988 -3.905 437 HD21 LEU 62 3HD2 LEU 62 4.145 -7.305 -5.979 438 HD22 LEU 62 1HD2 LEU 62 2.983 -8.501 -6.551 439 HD23 LEU 62 2HD2 LEU 62 4.710 -8.826 -6.658 440 H LEU 63 H LEU 63 3.117 -7.653 -0.761 441 HA LEU 63 HA LEU 63 5.735 -6.562 -0.311 442 HB2 LEU 63 2HB LEU 63 3.913 -8.108 1.532 443 HB3 LEU 63 1HB LEU 63 5.430 -7.389 2.015 444 HG LEU 63 HG LEU 63 3.787 -5.957 2.839 445 HD11 LEU 63 1HD1 LEU 63 4.697 -4.711 0.273 446 HD12 LEU 63 2HD1 LEU 63 5.558 -4.719 1.812 447 HD13 LEU 63 3HD1 LEU 63 4.033 -3.851 1.663 448 HD21 LEU 63 3HD2 LEU 63 2.395 -6.019 0.162 449 HD22 LEU 63 1HD2 LEU 63 1.911 -5.039 1.544 450 HD23 LEU 63 2HD2 LEU 63 1.843 -6.798 1.643 451 H ASP 64 H ASP 64 7.319 -7.620 -1.140 452 HA ASP 64 HA ASP 64 7.582 -10.554 -0.784 453 HB2 ASP 64 2HB ASP 64 7.445 -9.888 -3.145 454 HB3 ASP 64 1HB ASP 64 8.718 -8.700 -2.904 455 H GLN 65 H GLN 65 8.678 -7.535 0.037 456 HA GLN 65 HA GLN 65 11.345 -8.427 0.724 457 HB2 GLN 65 2HB GLN 65 11.986 -6.038 0.766 458 HB3 GLN 65 1HB GLN 65 11.472 -6.541 -0.806 459 HG2 GLN 65 2HG GLN 65 9.835 -4.871 1.132 460 HG3 GLN 65 1HG GLN 65 10.808 -4.223 -0.166 461 HE21 GLN 65 1HE2 GLN 65 9.156 -3.196 -1.322 462 HE22 GLN 65 2HE2 GLN 65 7.844 -4.061 -2.009 463 HA PRO 66 HA PRO 66 10.481 -8.173 5.030 464 HB2 PRO 66 2HB PRO 66 13.023 -6.708 5.413 465 HB3 PRO 66 1HB PRO 66 12.496 -8.246 6.106 466 HG2 PRO 66 2HG PRO 66 14.345 -8.174 4.188 467 HG3 PRO 66 1HG PRO 66 13.110 -9.448 4.224 468 HD2 PRO 66 2HD PRO 66 13.262 -7.002 2.507 469 HD3 PRO 66 1HD PRO 66 12.784 -8.655 2.084 470 H THR 67 H THR 67 11.475 -5.171 3.459 471 HA THR 67 HA THR 67 9.641 -3.736 5.187 472 HB THR 67 HB THR 67 12.570 -2.915 5.085 473 HG1 THR 67 1HG THR 67 11.203 -4.552 6.717 474 HG21 THR 67 3HG2 THR 67 10.227 -1.686 6.564 475 HG22 THR 67 1HG2 THR 67 11.034 -0.986 5.160 476 HG23 THR 67 2HG2 THR 67 11.907 -1.157 6.682 477 H THR 68 H THR 68 8.522 -2.445 3.948 478 HA THR 68 HA THR 68 9.677 -1.403 1.450 479 HB THR 68 HB THR 68 6.767 -1.615 2.215 480 HG1 THR 68 1HG THR 68 7.867 -3.428 0.418 481 HG21 THR 68 3HG2 THR 68 8.175 -1.387 -0.440 482 HG22 THR 68 1HG2 THR 68 7.306 -0.094 0.388 483 HG23 THR 68 2HG2 THR 68 6.430 -1.509 -0.203 484 H THR 69 H THR 69 10.302 0.730 1.817 485 HA THR 69 HA THR 69 8.774 2.344 3.691 486 HB THR 69 HB THR 69 11.128 3.145 1.959 487 HG1 THR 69 1HG THR 69 12.114 1.807 3.269 488 HG21 THR 69 3HG2 THR 69 9.966 4.367 4.468 489 HG22 THR 69 1HG2 THR 69 9.823 5.027 2.841 490 HG23 THR 69 2HG2 THR 69 11.403 4.943 3.625 491 H ALA 70 H ALA 70 7.269 3.868 3.045 492 HA ALA 70 HA ALA 70 7.096 4.383 0.176 493 HB1 ALA 70 1HB ALA 70 5.388 2.764 0.841 494 HB2 ALA 70 2HB ALA 70 4.686 4.290 0.307 495 HB3 ALA 70 3HB ALA 70 4.768 3.914 2.029 496 H GLY 71 H GLY 71 6.845 6.395 -0.408 497 HA2 GLY 71 2HA GLY 71 5.458 8.448 0.528 498 HA3 GLY 71 1HA GLY 71 6.862 8.476 1.589 499 H ARG 72 H ARG 72 7.438 10.449 0.767 500 HA ARG 72 HA ARG 72 8.193 10.831 -1.986 501 HB2 ARG 72 2HB ARG 72 7.270 12.729 -0.768 502 HB3 ARG 72 1HB ARG 72 8.440 12.546 0.516 503 HG2 ARG 72 2HG ARG 72 8.954 14.496 -0.795 504 HG3 ARG 72 1HG ARG 72 10.206 13.290 -1.022 505 HD2 ARG 72 2HD ARG 72 9.695 14.378 -3.127 506 HD3 ARG 72 1HD ARG 72 9.221 12.689 -3.194 507 HE ARG 72 HE ARG 72 7.089 13.346 -3.581 508 HH11 ARG 72 1HH1 ARG 72 8.692 16.190 -2.119 509 HH12 ARG 72 2HH1 ARG 72 7.442 17.248 -2.547 510 HH21 ARG 72 1HH2 ARG 72 5.480 14.835 -4.211 511 HH22 ARG 72 2HH2 ARG 72 5.555 16.466 -3.731 512 H HIS 73 H HIS 73 10.399 11.237 -2.674 513 HA HIS 73 HA HIS 73 12.634 11.053 -2.727 514 HB2 HIS 73 2HB HIS 73 12.504 9.738 0.018 515 HB3 HIS 73 1HB HIS 73 13.928 9.709 -1.004 516 HD1 HIS 73 1HD HIS 73 15.304 10.928 0.800 517 HD2 HIS 73 2HD HIS 73 12.056 13.094 -0.635 518 HE1 HIS 73 1HE HIS 73 15.620 13.277 1.620 519 HA PRO 74 HA PRO 74 12.299 7.212 -4.787 520 HB2 PRO 74 2HB PRO 74 14.678 7.318 -6.111 521 HB3 PRO 74 1HB PRO 74 13.251 8.225 -6.619 522 HG2 PRO 74 2HG PRO 74 15.663 9.150 -5.141 523 HG3 PRO 74 1HG PRO 74 14.700 9.994 -6.358 524 HD2 PRO 74 2HD PRO 74 14.511 10.455 -3.661 525 HD3 PRO 74 1HD PRO 74 13.204 10.760 -4.823 526 H GLU 75 H GLU 75 14.264 7.877 -2.236 527 HA GLU 75 HA GLU 75 15.871 5.479 -2.287 528 HB2 GLU 75 2HB GLU 75 16.586 6.083 -0.046 529 HB3 GLU 75 1HB GLU 75 16.627 7.522 -1.051 530 HG2 GLU 75 2HG GLU 75 14.407 8.154 -0.084 531 HG3 GLU 75 1HG GLU 75 14.556 6.778 0.984 532 H SER 76 H SER 76 12.737 6.499 -1.250 533 HA SER 76 HA SER 76 12.189 4.336 0.468 534 HB2 SER 76 2HB SER 76 10.350 6.211 -1.052 535 HB3 SER 76 1HB SER 76 9.905 5.221 0.346 536 HG SER 76 HG SER 76 10.597 7.591 0.622 537 H ASP 77 H ASP 77 11.436 2.387 -0.082 538 HA ASP 77 HA ASP 77 11.982 1.323 -2.571 539 HB2 ASP 77 2HB ASP 77 11.848 0.013 -0.475 540 HB3 ASP 77 1HB ASP 77 10.090 0.142 -0.534 541 H ILE 78 H ILE 78 8.857 2.439 -1.349 542 HA ILE 78 HA ILE 78 7.889 2.258 -4.103 543 HB ILE 78 HB ILE 78 6.252 1.999 -1.552 544 HG12 ILE 78 2HG1 ILE 78 7.413 -0.072 -2.163 545 HG13 ILE 78 1HG1 ILE 78 5.680 -0.241 -2.374 546 HG21 ILE 78 1HG2 ILE 78 5.274 2.057 -4.407 547 HG22 ILE 78 2HG2 ILE 78 5.011 3.305 -3.194 548 HG23 ILE 78 3HG2 ILE 78 4.284 1.711 -2.990 549 HD11 ILE 78 3HD1 ILE 78 7.712 0.184 -4.563 550 HD12 ILE 78 1HD1 ILE 78 5.966 0.065 -4.792 551 HD13 ILE 78 2HD1 ILE 78 6.869 -1.315 -4.175 552 H PHE 79 H PHE 79 7.407 4.124 -4.989 553 HA PHE 79 HA PHE 79 7.647 6.481 -3.311 554 HB2 PHE 79 2HB PHE 79 9.127 6.300 -5.283 555 HB3 PHE 79 1HB PHE 79 7.714 6.252 -6.327 556 HD1 PHE 79 1HD PHE 79 9.723 8.353 -4.097 557 HD2 PHE 79 2HD PHE 79 6.502 8.251 -6.867 558 HE1 PHE 79 1HE PHE 79 9.747 10.801 -4.214 559 HE2 PHE 79 2HE PHE 79 6.519 10.707 -6.986 560 HZ PHE 79 HZ PHE 79 8.147 11.986 -5.654 561 H LEU 80 H LEU 80 5.830 7.138 -2.542 562 HA LEU 80 HA LEU 80 3.396 7.269 -4.238 563 HB2 LEU 80 2HB LEU 80 3.632 7.298 -1.207 564 HB3 LEU 80 1HB LEU 80 2.151 7.338 -2.139 565 HG LEU 80 HG LEU 80 4.028 4.985 -1.929 566 HD11 LEU 80 1HD1 LEU 80 1.286 5.455 -0.770 567 HD12 LEU 80 2HD1 LEU 80 2.797 5.436 0.131 568 HD13 LEU 80 3HD1 LEU 80 2.220 3.964 -0.648 569 HD21 LEU 80 3HD2 LEU 80 2.901 5.053 -4.099 570 HD22 LEU 80 1HD2 LEU 80 1.344 5.254 -3.294 571 HD23 LEU 80 2HD2 LEU 80 2.252 3.754 -3.101 572 H ASP 81 H ASP 81 3.072 9.307 -4.870 573 HA ASP 81 HA ASP 81 4.841 11.303 -3.790 574 HB2 ASP 81 2HB ASP 81 4.364 11.233 -6.201 575 HB3 ASP 81 1HB ASP 81 2.689 11.662 -5.873 576 H ASP 82 H ASP 82 4.465 12.438 -2.088 577 HA ASP 82 HA ASP 82 1.747 12.795 -1.118 578 HB2 ASP 82 2HB ASP 82 3.436 12.050 0.531 579 HB3 ASP 82 1HB ASP 82 4.408 13.478 0.199 580 H VAL 83 H VAL 83 1.124 14.939 -0.330 581 HA VAL 83 HA VAL 83 1.458 16.935 -2.342 582 HB VAL 83 HB VAL 83 0.211 17.104 0.422 583 HG11 VAL 83 1HG1 VAL 83 -0.924 19.120 -0.369 584 HG12 VAL 83 2HG1 VAL 83 -0.044 19.024 -1.893 585 HG13 VAL 83 3HG1 VAL 83 0.827 19.331 -0.390 586 HG21 VAL 83 3HG2 VAL 83 -0.879 15.509 -1.032 587 HG22 VAL 83 1HG2 VAL 83 -1.024 16.730 -2.294 588 HG23 VAL 83 2HG2 VAL 83 -1.904 16.921 -0.778 589 H THR 84 H THR 84 2.882 16.333 0.795 590 HA THR 84 HA THR 84 4.480 18.745 0.465 591 HB THR 84 HB THR 84 4.677 18.633 2.971 592 HG1 THR 84 1HG THR 84 3.289 16.322 2.661 593 HG21 THR 84 3HG2 THR 84 1.914 19.054 1.828 594 HG22 THR 84 1HG2 THR 84 3.202 20.257 1.900 595 HG23 THR 84 2HG2 THR 84 2.474 19.653 3.389 596 H VAL 85 H VAL 85 6.468 18.270 2.258 597 HA VAL 85 HA VAL 85 7.807 16.022 1.038 598 HB VAL 85 HB VAL 85 8.844 17.876 3.210 599 HG11 VAL 85 1HG1 VAL 85 11.072 17.108 2.511 600 HG12 VAL 85 2HG1 VAL 85 10.321 16.001 1.363 601 HG13 VAL 85 3HG1 VAL 85 10.069 15.779 3.095 602 HG21 VAL 85 3HG2 VAL 85 10.059 19.048 1.421 603 HG22 VAL 85 1HG2 VAL 85 8.311 19.167 1.208 604 HG23 VAL 85 2HG2 VAL 85 9.242 18.041 0.226 605 H SER 86 H SER 86 6.771 14.296 1.803 606 HA SER 86 HA SER 86 7.322 13.646 4.585 607 HB2 SER 86 2HB SER 86 4.909 12.769 2.959 608 HB3 SER 86 1HB SER 86 5.256 12.307 4.627 609 HG SER 86 HG SER 86 4.091 14.538 3.658 610 H ARG 87 H ARG 87 9.193 12.802 3.986 611 HA ARG 87 HA ARG 87 9.416 10.957 1.804 612 HB2 ARG 87 2HB ARG 87 11.803 10.818 2.525 613 HB3 ARG 87 1HB ARG 87 11.254 12.469 2.245 614 HG2 ARG 87 2HG ARG 87 10.877 12.698 4.659 615 HG3 ARG 87 1HG ARG 87 11.543 11.090 4.880 616 HD2 ARG 87 2HD ARG 87 13.616 12.001 3.720 617 HD3 ARG 87 1HD ARG 87 12.910 13.601 4.025 618 HE ARG 87 HE ARG 87 12.592 12.274 6.314 619 HH11 ARG 87 1HH1 ARG 87 15.319 13.803 4.712 620 HH12 ARG 87 2HH1 ARG 87 16.514 13.129 5.716 621 HH21 ARG 87 1HH2 ARG 87 14.227 11.213 7.635 622 HH22 ARG 87 2HH2 ARG 87 15.873 11.655 7.492 623 H ARG 88 H ARG 88 9.646 10.707 5.350 624 HA ARG 88 HA ARG 88 9.100 7.860 5.080 625 HB2 ARG 88 2HB ARG 88 10.259 9.525 7.315 626 HB3 ARG 88 1HB ARG 88 9.578 7.938 7.619 627 HG2 ARG 88 2HG ARG 88 11.756 8.347 5.600 628 HG3 ARG 88 1HG ARG 88 12.110 8.145 7.317 629 HD2 ARG 88 2HD ARG 88 10.955 5.994 7.315 630 HD3 ARG 88 1HD ARG 88 10.559 6.198 5.609 631 HE ARG 88 HE ARG 88 13.098 6.345 5.376 632 HH11 ARG 88 1HH1 ARG 88 11.470 4.121 7.736 633 HH12 ARG 88 2HH1 ARG 88 12.658 2.951 7.622 634 HH21 ARG 88 1HH2 ARG 88 14.732 4.655 5.278 635 HH22 ARG 88 2HH2 ARG 88 14.572 3.254 6.227 636 H HIS 89 H HIS 89 6.951 8.025 4.645 637 HA HIS 89 HA HIS 89 5.378 9.278 6.762 638 HB2 HIS 89 2HB HIS 89 4.647 9.887 4.500 639 HB3 HIS 89 1HB HIS 89 4.522 8.191 4.052 640 HD2 HIS 89 2HD HIS 89 2.615 10.661 6.573 641 HE1 HIS 89 1HE HIS 89 0.085 7.548 5.337 642 HE2 HIS 89 2HE HIS 89 0.528 9.301 7.033 643 H ALA 90 H ALA 90 5.624 6.188 4.943 644 HA ALA 90 HA ALA 90 4.978 4.855 7.441 645 HB1 ALA 90 1HB ALA 90 2.829 5.178 6.307 646 HB2 ALA 90 2HB ALA 90 3.269 3.471 6.411 647 HB3 ALA 90 3HB ALA 90 3.458 4.338 4.888 648 H GLU 91 H GLU 91 5.831 2.906 7.663 649 HA GLU 91 HA GLU 91 7.216 1.777 5.362 650 HB2 GLU 91 2HB GLU 91 8.940 0.837 6.958 651 HB3 GLU 91 1HB GLU 91 8.983 2.579 6.780 652 HG2 GLU 91 2HG GLU 91 7.810 2.813 8.930 653 HG3 GLU 91 1HG GLU 91 7.778 1.058 9.086 654 H PHE 92 H PHE 92 6.932 -0.289 4.956 655 HA PHE 92 HA PHE 92 4.917 -1.712 6.559 656 HB2 PHE 92 2HB PHE 92 5.887 -2.307 3.742 657 HB3 PHE 92 1HB PHE 92 4.573 -3.089 4.582 658 HD1 PHE 92 2HD PHE 92 5.604 0.235 3.234 659 HD2 PHE 92 1HD PHE 92 2.398 -2.334 4.326 660 HE1 PHE 92 2HE PHE 92 3.999 1.831 2.267 661 HE2 PHE 92 1HE PHE 92 0.796 -0.749 3.362 662 HZ PHE 92 HZ PHE 92 1.594 1.339 2.331 663 H ARG 93 H ARG 93 5.788 -3.109 7.850 664 HA ARG 93 HA ARG 93 8.404 -4.244 7.203 665 HB2 ARG 93 2HB ARG 93 7.088 -3.906 9.892 666 HB3 ARG 93 1HB ARG 93 8.733 -4.439 9.578 667 HG2 ARG 93 2HG ARG 93 9.263 -2.242 8.647 668 HG3 ARG 93 1HG ARG 93 7.619 -1.703 8.990 669 HD2 ARG 93 2HD ARG 93 9.157 -0.962 10.722 670 HD3 ARG 93 1HD ARG 93 7.993 -2.119 11.366 671 HE ARG 93 HE ARG 93 9.647 -3.758 11.421 672 HH11 ARG 93 1HH1 ARG 93 10.932 -0.538 10.536 673 HH12 ARG 93 2HH1 ARG 93 12.539 -0.955 10.894 674 HH21 ARG 93 1HH2 ARG 93 11.898 -4.301 11.875 675 HH22 ARG 93 2HH2 ARG 93 13.098 -3.107 11.632 676 H ILE 94 H ILE 94 8.356 -6.315 6.802 677 HA ILE 94 HA ILE 94 5.999 -7.864 7.598 678 HB ILE 94 HB ILE 94 8.097 -8.440 5.454 679 HG12 ILE 94 2HG1 ILE 94 6.087 -8.348 3.889 680 HG13 ILE 94 1HG1 ILE 94 5.180 -7.683 5.237 681 HG21 ILE 94 1HG2 ILE 94 6.746 -10.372 4.823 682 HG22 ILE 94 2HG2 ILE 94 5.684 -10.088 6.205 683 HG23 ILE 94 3HG2 ILE 94 7.376 -10.527 6.464 684 HD11 ILE 94 3HD1 ILE 94 6.667 -5.735 5.259 685 HD12 ILE 94 1HD1 ILE 94 5.891 -5.943 3.690 686 HD13 ILE 94 2HD1 ILE 94 7.575 -6.417 3.911 687 H ASN 95 H ASN 95 6.312 -9.024 9.352 688 HA ASN 95 HA ASN 95 8.992 -10.108 9.841 689 HB2 ASN 95 2HB ASN 95 8.638 -8.056 11.205 690 HB3 ASN 95 1HB ASN 95 7.249 -8.823 11.965 691 HD21 ASN 95 1HD2 ASN 95 7.602 -10.445 13.481 692 HD22 ASN 95 2HD2 ASN 95 9.146 -10.795 14.131 693 H GLU 96 H GLU 96 8.938 -12.192 10.102 694 HA GLU 96 HA GLU 96 8.154 -14.267 10.018 695 HB2 GLU 96 2HB GLU 96 7.101 -13.276 12.649 696 HB3 GLU 96 1HB GLU 96 6.823 -14.931 12.137 697 HG2 GLU 96 2HG GLU 96 8.710 -14.937 13.569 698 HG3 GLU 96 1HG GLU 96 9.294 -15.209 11.937 699 H GLY 97 H GLY 97 6.728 -13.022 8.219 700 HA2 GLY 97 2HA GLY 97 4.972 -13.644 6.846 701 HA3 GLY 97 1HA GLY 97 4.372 -14.674 8.128 702 H GLU 98 H GLU 98 4.684 -11.825 9.640 703 HA GLU 98 HA GLU 98 1.910 -11.124 9.072 704 HB2 GLU 98 2HB GLU 98 3.658 -10.414 11.427 705 HB3 GLU 98 1HB GLU 98 1.933 -10.089 11.272 706 HG2 GLU 98 2HG GLU 98 1.508 -12.500 11.162 707 HG3 GLU 98 1HG GLU 98 3.222 -12.795 11.350 708 H PHE 99 H PHE 99 1.365 -9.001 8.622 709 HA PHE 99 HA PHE 99 3.598 -7.403 7.585 710 HB2 PHE 99 2HB PHE 99 0.640 -7.164 6.940 711 HB3 PHE 99 1HB PHE 99 1.967 -6.394 6.093 712 HD1 PHE 99 2HD PHE 99 0.097 -9.496 6.585 713 HD2 PHE 99 1HD PHE 99 3.320 -7.662 4.502 714 HE1 PHE 99 2HE PHE 99 0.158 -11.395 5.023 715 HE2 PHE 99 1HE PHE 99 3.388 -9.563 2.938 716 HZ PHE 99 HZ PHE 99 1.803 -11.427 3.197 717 H GLU 100 H GLU 100 4.118 -5.732 8.863 718 HA GLU 100 HA GLU 100 2.091 -4.521 10.622 719 HB2 GLU 100 2HB GLU 100 5.101 -4.506 10.805 720 HB3 GLU 100 1HB GLU 100 4.003 -3.747 11.935 721 HG2 GLU 100 2HG GLU 100 3.200 -5.905 12.644 722 HG3 GLU 100 1HG GLU 100 4.221 -6.703 11.435 723 H VAL 101 H VAL 101 1.566 -2.451 9.979 724 HA VAL 101 HA VAL 101 3.616 -1.113 8.383 725 HB VAL 101 HB VAL 101 0.675 -0.428 8.607 726 HG11 VAL 101 1HG1 VAL 101 2.822 0.737 6.825 727 HG12 VAL 101 2HG1 VAL 101 2.057 1.550 8.188 728 HG13 VAL 101 3HG1 VAL 101 1.105 1.140 6.756 729 HG21 VAL 101 3HG2 VAL 101 2.216 -1.669 6.344 730 HG22 VAL 101 1HG2 VAL 101 0.514 -1.211 6.298 731 HG23 VAL 101 2HG2 VAL 101 1.057 -2.498 7.381 732 H VAL 102 H VAL 102 4.675 0.413 9.305 733 HA VAL 102 HA VAL 102 3.607 1.532 11.789 734 HB VAL 102 HB VAL 102 6.519 1.303 10.925 735 HG11 VAL 102 1HG1 VAL 102 7.052 2.059 13.192 736 HG12 VAL 102 2HG1 VAL 102 5.333 2.247 13.535 737 HG13 VAL 102 3HG1 VAL 102 6.105 3.262 12.315 738 HG21 VAL 102 3HG2 VAL 102 5.018 -0.248 13.041 739 HG22 VAL 102 1HG2 VAL 102 6.754 -0.346 12.739 740 HG23 VAL 102 2HG2 VAL 102 5.613 -0.889 11.509 741 H ASP 103 H ASP 103 3.135 3.559 11.665 742 HA ASP 103 HA ASP 103 3.992 5.085 9.354 743 HB2 ASP 103 2HB ASP 103 1.693 4.974 9.221 744 HB3 ASP 103 1HB ASP 103 1.489 4.955 10.969 745 H VAL 104 H VAL 104 4.968 6.923 9.670 746 HA VAL 104 HA VAL 104 5.298 7.781 12.450 747 HB VAL 104 HB VAL 104 7.522 8.778 11.827 748 HG11 VAL 104 1HG1 VAL 104 7.422 6.638 12.981 749 HG12 VAL 104 2HG1 VAL 104 8.755 6.651 11.827 750 HG13 VAL 104 3HG1 VAL 104 7.261 5.798 11.439 751 HG21 VAL 104 3HG2 VAL 104 7.139 7.177 9.299 752 HG22 VAL 104 1HG2 VAL 104 8.632 7.978 9.788 753 HG23 VAL 104 2HG2 VAL 104 7.196 8.934 9.412 754 H GLY 105 H GLY 105 3.694 8.533 9.770 755 HA2 GLY 105 2HA GLY 105 4.088 11.414 10.120 756 HA3 GLY 105 1HA GLY 105 3.622 10.650 8.600 757 H SER 106 H SER 106 2.394 9.729 11.737 758 HA SER 106 HA SER 106 -0.259 9.590 11.206 759 HB2 SER 106 2HB SER 106 0.862 10.518 13.846 760 HB3 SER 106 1HB SER 106 -0.520 9.453 13.555 761 HG SER 106 HG SER 106 1.127 8.074 12.466 762 H LEU 107 H LEU 107 1.611 12.379 12.099 763 HA LEU 107 HA LEU 107 -0.482 14.140 12.751 764 HB2 LEU 107 2HB LEU 107 2.321 14.774 11.835 765 HB3 LEU 107 1HB LEU 107 1.198 15.944 12.481 766 HG LEU 107 HG LEU 107 1.252 14.601 14.648 767 HD11 LEU 107 1HD1 LEU 107 3.624 13.319 13.303 768 HD12 LEU 107 2HD1 LEU 107 2.155 12.507 13.859 769 HD13 LEU 107 3HD1 LEU 107 3.257 13.229 15.022 770 HD21 LEU 107 3HD2 LEU 107 3.796 15.893 13.681 771 HD22 LEU 107 1HD2 LEU 107 3.354 15.619 15.367 772 HD23 LEU 107 2HD2 LEU 107 2.401 16.723 14.373 773 H ASN 108 H ASN 108 0.796 13.069 9.724 774 HA ASN 108 HA ASN 108 -0.097 15.440 8.301 775 HB2 ASN 108 2HB ASN 108 2.029 14.205 7.683 776 HB3 ASN 108 1HB ASN 108 1.017 12.879 7.122 777 HD21 ASN 108 1HD2 ASN 108 1.730 13.097 4.978 778 HD22 ASN 108 2HD2 ASN 108 1.253 14.417 3.989 779 H GLY 109 H GLY 109 -1.247 12.365 9.194 780 HA2 GLY 109 2HA GLY 109 -3.718 12.304 9.105 781 HA3 GLY 109 1HA GLY 109 -3.566 12.871 7.454 782 H THR 110 H THR 110 -1.713 10.261 9.071 783 HA THR 110 HA THR 110 -2.412 8.418 7.053 784 HB THR 110 HB THR 110 -1.416 7.792 9.814 785 HG1 THR 110 1HG THR 110 0.683 8.301 8.915 786 HG21 THR 110 3HG2 THR 110 -0.145 6.076 8.576 787 HG22 THR 110 1HG2 THR 110 -0.826 6.665 7.060 788 HG23 THR 110 2HG2 THR 110 -1.875 5.923 8.268 789 H TYR 111 H TYR 111 -4.199 7.167 7.034 790 HA TYR 111 HA TYR 111 -5.605 6.672 9.556 791 HB2 TYR 111 2HB TYR 111 -6.964 7.623 7.014 792 HB3 TYR 111 1HB TYR 111 -7.825 6.930 8.380 793 HD1 TYR 111 2HD TYR 111 -8.047 8.170 10.464 794 HD2 TYR 111 1HD TYR 111 -6.012 9.852 7.147 795 HE1 TYR 111 2HE TYR 111 -8.133 10.376 11.535 796 HE2 TYR 111 1HE TYR 111 -6.089 12.064 8.210 797 HH TYR 111 HH TYR 111 -7.396 13.240 9.869 798 H VAL 112 H VAL 112 -6.593 4.733 9.727 799 HA VAL 112 HA VAL 112 -6.387 2.888 7.450 800 HB VAL 112 HB VAL 112 -5.925 2.160 10.365 801 HG11 VAL 112 1HG1 VAL 112 -5.569 0.539 7.849 802 HG12 VAL 112 2HG1 VAL 112 -6.844 0.346 9.050 803 HG13 VAL 112 3HG1 VAL 112 -5.170 0.001 9.478 804 HG21 VAL 112 3HG2 VAL 112 -3.846 2.435 8.188 805 HG22 VAL 112 1HG2 VAL 112 -3.558 1.847 9.827 806 HG23 VAL 112 2HG2 VAL 112 -4.051 3.518 9.563 807 H ASN 113 H ASN 113 -8.407 2.314 6.986 808 HA ASN 113 HA ASN 113 -10.675 1.927 7.134 809 HB2 ASN 113 2HB ASN 113 -9.877 0.965 9.904 810 HB3 ASN 113 1HB ASN 113 -11.495 0.767 9.244 811 HD21 ASN 113 1HD2 ASN 113 -9.522 -1.246 10.112 812 HD22 ASN 113 2HD2 ASN 113 -9.248 -2.245 8.747 813 H ARG 114 H ARG 114 -10.114 4.538 7.343 814 HA ARG 114 HA ARG 114 -10.644 6.511 7.973 815 HB2 ARG 114 2HB ARG 114 -12.812 5.391 7.422 816 HB3 ARG 114 1HB ARG 114 -13.076 5.191 9.141 817 HG2 ARG 114 2HG ARG 114 -12.436 7.900 8.329 818 HG3 ARG 114 1HG ARG 114 -13.883 7.177 7.603 819 HD2 ARG 114 2HD ARG 114 -14.771 6.705 9.832 820 HD3 ARG 114 1HD ARG 114 -13.263 7.242 10.574 821 HE ARG 114 HE ARG 114 -14.995 9.059 9.067 822 HH11 ARG 114 1HH1 ARG 114 -13.331 8.222 12.081 823 HH12 ARG 114 2HH1 ARG 114 -13.589 9.732 12.824 824 HH21 ARG 114 1HH2 ARG 114 -15.347 11.165 10.125 825 HH22 ARG 114 2HH2 ARG 114 -14.738 11.440 11.684 826 H GLU 115 H GLU 115 -9.435 4.579 10.213 827 HA GLU 115 HA GLU 115 -9.881 6.493 12.400 828 HB2 GLU 115 2HB GLU 115 -8.954 3.634 12.520 829 HB3 GLU 115 1HB GLU 115 -9.101 4.712 13.895 830 HG2 GLU 115 2HG GLU 115 -11.499 4.846 13.554 831 HG3 GLU 115 1HG GLU 115 -11.363 3.783 12.150 832 HA PRO 116 HA PRO 116 -5.594 7.569 11.848 833 HB2 PRO 116 2HB PRO 116 -5.207 8.765 14.295 834 HB3 PRO 116 1HB PRO 116 -5.967 9.567 12.917 835 HG2 PRO 116 2HG PRO 116 -7.226 8.333 15.320 836 HG3 PRO 116 1HG PRO 116 -7.707 9.773 14.412 837 HD2 PRO 116 2HD PRO 116 -8.935 7.349 14.191 838 HD3 PRO 116 1HD PRO 116 -8.901 8.553 12.888 839 H ARG 117 H ARG 117 -3.684 6.578 12.303 840 HA ARG 117 HA ARG 117 -3.437 4.882 14.646 841 HB2 ARG 117 2HB ARG 117 -3.549 3.937 11.824 842 HB3 ARG 117 1HB ARG 117 -2.402 3.173 12.908 843 HG2 ARG 117 2HG ARG 117 -5.348 3.383 13.490 844 HG3 ARG 117 1HG ARG 117 -4.592 2.009 12.673 845 HD2 ARG 117 2HD ARG 117 -3.100 1.718 14.624 846 HD3 ARG 117 1HD ARG 117 -3.966 3.014 15.444 847 HE ARG 117 HE ARG 117 -5.969 1.546 15.154 848 HH11 ARG 117 1HH1 ARG 117 -2.686 0.114 15.437 849 HH12 ARG 117 2HH1 ARG 117 -3.255 -1.294 16.190 850 HH21 ARG 117 1HH2 ARG 117 -6.692 -0.466 16.178 851 HH22 ARG 117 2HH2 ARG 117 -5.531 -1.634 16.589 852 H ASN 118 H ASN 118 -1.291 4.073 14.879 853 HA ASN 118 HA ASN 118 0.781 5.790 13.665 854 HB2 ASN 118 2HB ASN 118 0.766 4.439 16.384 855 HB3 ASN 118 1HB ASN 118 2.094 5.387 15.734 856 HD21 ASN 118 1HD2 ASN 118 1.895 7.626 15.678 857 HD22 ASN 118 2HD2 ASN 118 0.674 8.476 16.529 858 H ALA 119 H ALA 119 -0.110 2.581 14.822 859 HA ALA 119 HA ALA 119 1.519 1.417 12.755 860 HB1 ALA 119 1HB ALA 119 2.414 -0.281 14.305 861 HB2 ALA 119 2HB ALA 119 1.654 0.553 15.656 862 HB3 ALA 119 3HB ALA 119 2.960 1.332 14.767 863 H GLN 120 H GLN 120 0.551 -0.404 11.956 864 HA GLN 120 HA GLN 120 -1.749 -1.491 13.345 865 HB2 GLN 120 2HB GLN 120 -2.203 0.653 11.707 866 HB3 GLN 120 1HB GLN 120 -2.391 -0.674 10.573 867 HG2 GLN 120 2HG GLN 120 -3.899 -0.453 13.175 868 HG3 GLN 120 1HG GLN 120 -4.498 0.145 11.638 869 HE21 GLN 120 1HE2 GLN 120 -3.665 -2.021 9.981 870 HE22 GLN 120 2HE2 GLN 120 -4.513 -3.411 10.497 871 H VAL 121 H VAL 121 -1.807 -3.626 12.946 872 HA VAL 121 HA VAL 121 -0.164 -4.783 10.853 873 HB VAL 121 HB VAL 121 -2.018 -6.120 12.874 874 HG11 VAL 121 1HG1 VAL 121 -0.814 -8.189 12.318 875 HG12 VAL 121 2HG1 VAL 121 0.079 -7.332 11.062 876 HG13 VAL 121 3HG1 VAL 121 -1.667 -7.537 10.918 877 HG21 VAL 121 3HG2 VAL 121 0.045 -6.711 14.076 878 HG22 VAL 121 1HG2 VAL 121 -0.164 -4.965 13.951 879 HG23 VAL 121 2HG2 VAL 121 0.980 -5.790 12.896 880 H MET 122 H MET 122 -0.944 -5.214 8.872 881 HA MET 122 HA MET 122 -3.692 -4.337 8.498 882 HB2 MET 122 2HB MET 122 -1.574 -4.798 6.413 883 HB3 MET 122 1HB MET 122 -3.171 -4.132 6.123 884 HG2 MET 122 2HG MET 122 -0.984 -2.917 7.772 885 HG3 MET 122 1HG MET 122 -1.539 -2.377 6.190 886 HE1 MET 122 3HE MET 122 -1.245 -0.414 8.729 887 HE2 MET 122 1HE MET 122 -2.687 0.546 8.454 888 HE3 MET 122 2HE MET 122 -1.688 0.045 7.081 889 H GLN 123 H GLN 123 -5.183 -5.301 7.335 890 HA GLN 123 HA GLN 123 -4.916 -8.178 6.880 891 HB2 GLN 123 2HB GLN 123 -7.221 -6.764 8.259 892 HB3 GLN 123 1HB GLN 123 -7.151 -8.473 7.856 893 HG2 GLN 123 2HG GLN 123 -5.373 -8.824 9.426 894 HG3 GLN 123 1HG GLN 123 -5.282 -7.095 9.761 895 HE21 GLN 123 1HE2 GLN 123 -7.112 -9.993 10.204 896 HE22 GLN 123 2HE2 GLN 123 -8.128 -9.406 11.464 897 H THR 124 H THR 124 -6.576 -8.875 5.301 898 HA THR 124 HA THR 124 -6.620 -7.033 3.177 899 HB THR 124 HB THR 124 -6.522 -9.436 2.738 900 HG1 THR 124 1HG THR 124 -8.741 -8.052 1.639 901 HG21 THR 124 3HG2 THR 124 -8.540 -10.832 2.915 902 HG22 THR 124 1HG2 THR 124 -9.369 -9.507 3.731 903 HG23 THR 124 2HG2 THR 124 -7.967 -10.278 4.484 904 H GLY 125 H GLY 125 -8.043 -5.657 2.462 905 HA2 GLY 125 2HA GLY 125 -10.251 -4.883 2.073 906 HA3 GLY 125 1HA GLY 125 -10.743 -5.633 3.579 907 H ASP 126 H ASP 126 -7.903 -4.235 4.523 908 HA ASP 126 HA ASP 126 -9.363 -1.918 5.314 909 HB2 ASP 126 2HB ASP 126 -7.392 -1.251 6.627 910 HB3 ASP 126 1HB ASP 126 -8.101 -2.752 7.162 911 H GLU 127 H GLU 127 -8.636 0.121 5.173 912 HA GLU 127 HA GLU 127 -7.016 0.566 2.806 913 HB2 GLU 127 2HB GLU 127 -8.482 2.567 2.372 914 HB3 GLU 127 1HB GLU 127 -9.218 0.996 2.092 915 HG2 GLU 127 2HG GLU 127 -10.249 1.161 4.342 916 HG3 GLU 127 1HG GLU 127 -9.639 2.813 4.434 917 H ILE 128 H ILE 128 -5.500 1.873 2.964 918 HA ILE 128 HA ILE 128 -5.013 3.268 5.499 919 HB ILE 128 HB ILE 128 -2.967 2.600 3.368 920 HG12 ILE 128 2HG1 ILE 128 -3.590 0.867 5.778 921 HG13 ILE 128 1HG1 ILE 128 -4.149 0.505 4.152 922 HG21 ILE 128 1HG2 ILE 128 -2.327 4.254 5.053 923 HG22 ILE 128 2HG2 ILE 128 -1.394 2.773 5.263 924 HG23 ILE 128 3HG2 ILE 128 -2.743 3.124 6.341 925 HD11 ILE 128 3HD1 ILE 128 -1.845 0.307 3.393 926 HD12 ILE 128 1HD1 ILE 128 -2.169 -0.786 4.734 927 HD13 ILE 128 2HD1 ILE 128 -1.267 0.708 5.009 928 H GLN 129 H GLN 129 -4.882 5.443 5.326 929 HA GLN 129 HA GLN 129 -4.911 6.628 2.645 930 HB2 GLN 129 2HB GLN 129 -6.787 7.254 4.187 931 HB3 GLN 129 1HB GLN 129 -5.601 7.945 5.286 932 HG2 GLN 129 2HG GLN 129 -4.898 9.489 3.464 933 HG3 GLN 129 1HG GLN 129 -6.214 8.861 2.480 934 HE21 GLN 129 1HE2 GLN 129 -5.333 10.842 5.147 935 HE22 GLN 129 2HE2 GLN 129 -6.873 11.589 5.363 936 H ILE 130 H ILE 130 -3.158 7.503 1.973 937 HA ILE 130 HA ILE 130 -1.075 8.289 3.871 938 HB ILE 130 HB ILE 130 -0.817 7.355 0.973 939 HG12 ILE 130 2HG1 ILE 130 0.885 5.737 1.945 940 HG13 ILE 130 1HG1 ILE 130 0.362 6.246 3.538 941 HG21 ILE 130 1HG2 ILE 130 1.363 8.561 2.665 942 HG22 ILE 130 2HG2 ILE 130 0.630 9.268 1.228 943 HG23 ILE 130 3HG2 ILE 130 1.594 7.799 1.090 944 HD11 ILE 130 3HD1 ILE 130 -1.271 4.813 1.462 945 HD12 ILE 130 1HD1 ILE 130 -1.900 5.399 3.005 946 HD13 ILE 130 2HD1 ILE 130 -0.648 4.160 2.971 947 H GLY 131 H GLY 131 -1.389 10.329 4.225 948 HA2 GLY 131 2HA GLY 131 -1.528 12.572 3.864 949 HA3 GLY 131 1HA GLY 131 -1.101 12.269 2.182 950 H LYS 132 H LYS 132 -2.642 12.484 0.692 951 HA LYS 132 HA LYS 132 -5.407 12.785 1.672 952 HB2 LYS 132 2HB LYS 132 -5.863 14.199 -0.230 953 HB3 LYS 132 1HB LYS 132 -4.463 14.816 0.632 954 HG2 LYS 132 2HG LYS 132 -2.982 13.933 -1.053 955 HG3 LYS 132 1HG LYS 132 -4.329 13.144 -1.873 956 HD2 LYS 132 2HD LYS 132 -5.338 15.377 -2.258 957 HD3 LYS 132 1HD LYS 132 -3.911 16.116 -1.528 958 HE2 LYS 132 2HE LYS 132 -2.509 15.076 -3.265 959 HE3 LYS 132 1HE LYS 132 -3.951 14.372 -3.988 960 HZ1 LYS 132 3HZ LYS 132 -4.774 16.572 -4.464 961 HZ2 LYS 132 1HZ LYS 132 -3.241 16.372 -5.120 962 HZ3 LYS 132 2HZ LYS 132 -3.442 17.290 -3.720 963 H PHE 133 H PHE 133 -3.671 10.367 0.369 964 HA PHE 133 HA PHE 133 -5.895 9.645 -1.337 965 HB2 PHE 133 2HB PHE 133 -4.326 8.451 -2.847 966 HB3 PHE 133 1HB PHE 133 -4.242 10.200 -2.901 967 HD1 PHE 133 1HD PHE 133 -2.515 7.106 -2.087 968 HD2 PHE 133 2HD PHE 133 -2.259 11.345 -2.105 969 HE1 PHE 133 1HE PHE 133 -0.070 6.960 -1.860 970 HE2 PHE 133 2HE PHE 133 0.174 11.203 -1.870 971 HZ PHE 133 HZ PHE 133 1.275 9.026 -1.755 972 H ARG 134 H ARG 134 -6.073 7.284 -1.838 973 HA ARG 134 HA ARG 134 -5.858 5.929 0.788 974 HB2 ARG 134 2HB ARG 134 -8.052 5.493 -1.227 975 HB3 ARG 134 1HB ARG 134 -8.037 5.055 0.473 976 HG2 ARG 134 2HG ARG 134 -8.197 7.398 1.101 977 HG3 ARG 134 1HG ARG 134 -8.100 7.874 -0.593 978 HD2 ARG 134 2HD ARG 134 -10.193 6.388 -0.897 979 HD3 ARG 134 1HD ARG 134 -10.333 6.490 0.860 980 HE ARG 134 HE ARG 134 -9.970 9.013 -0.404 981 HH11 ARG 134 1HH1 ARG 134 -12.415 6.688 0.672 982 HH12 ARG 134 2HH1 ARG 134 -13.717 7.771 0.445 983 HH21 ARG 134 1HH2 ARG 134 -11.802 10.463 -0.752 984 HH22 ARG 134 2HH2 ARG 134 -13.376 9.920 -0.362 985 H LEU 135 H LEU 135 -5.075 3.890 0.787 986 HA LEU 135 HA LEU 135 -4.842 2.385 -1.730 987 HB2 LEU 135 2HB LEU 135 -2.901 2.592 0.583 988 HB3 LEU 135 1HB LEU 135 -2.891 1.218 -0.493 989 HG LEU 135 HG LEU 135 -2.345 2.745 -2.375 990 HD11 LEU 135 1HD1 LEU 135 -1.504 4.993 -1.902 991 HD12 LEU 135 2HD1 LEU 135 -2.105 4.857 -0.246 992 HD13 LEU 135 3HD1 LEU 135 -3.228 4.827 -1.597 993 HD21 LEU 135 3HD2 LEU 135 -0.446 2.808 -0.046 994 HD22 LEU 135 1HD2 LEU 135 -0.018 3.129 -1.726 995 HD23 LEU 135 2HD2 LEU 135 -0.593 1.531 -1.254 996 H VAL 136 H VAL 136 -5.480 0.234 -1.599 997 HA VAL 136 HA VAL 136 -6.746 -0.547 0.947 998 HB VAL 136 HB VAL 136 -7.516 -1.402 -1.869 999 HG11 VAL 136 1HG1 VAL 136 -9.464 -2.465 -0.813 1000 HG12 VAL 136 2HG1 VAL 136 -8.830 -2.032 0.776 1001 HG13 VAL 136 3HG1 VAL 136 -7.947 -3.165 -0.245 1002 HG21 VAL 136 3HG2 VAL 136 -9.553 -0.105 -1.541 1003 HG22 VAL 136 1HG2 VAL 136 -8.131 0.925 -1.385 1004 HG23 VAL 136 2HG2 VAL 136 -9.000 0.392 0.056 1005 H PHE 137 H PHE 137 -5.983 -2.300 1.900 1006 HA PHE 137 HA PHE 137 -3.845 -3.811 0.636 1007 HB2 PHE 137 2HB PHE 137 -3.705 -2.885 2.966 1008 HB3 PHE 137 1HB PHE 137 -5.007 -3.963 3.429 1009 HD1 PHE 137 1HD PHE 137 -1.490 -3.724 2.445 1010 HD2 PHE 137 2HD PHE 137 -4.581 -6.299 3.829 1011 HE1 PHE 137 1HE PHE 137 0.189 -5.417 3.035 1012 HE2 PHE 137 2HE PHE 137 -2.906 -7.998 4.417 1013 HZ PHE 137 HZ PHE 137 -0.516 -7.556 4.024 1014 H LEU 138 H LEU 138 -4.161 -5.827 -0.196 1015 HA LEU 138 HA LEU 138 -6.649 -7.229 0.446 1016 HB2 LEU 138 2HB LEU 138 -5.489 -6.799 -2.304 1017 HB3 LEU 138 1HB LEU 138 -6.789 -7.909 -1.939 1018 HG LEU 138 HG LEU 138 -6.928 -4.904 -1.613 1019 HD11 LEU 138 1HD1 LEU 138 -8.434 -4.989 -3.538 1020 HD12 LEU 138 2HD1 LEU 138 -8.132 -6.719 -3.695 1021 HD13 LEU 138 3HD1 LEU 138 -6.822 -5.567 -3.955 1022 HD21 LEU 138 3HD2 LEU 138 -8.379 -6.062 -0.021 1023 HD22 LEU 138 1HD2 LEU 138 -9.046 -7.043 -1.329 1024 HD23 LEU 138 2HD2 LEU 138 -9.336 -5.305 -1.288 1025 H ALA 139 H ALA 139 -6.513 -9.400 0.491 1026 HA ALA 139 HA ALA 139 -3.828 -10.526 0.204 1027 HB1 ALA 139 1HB ALA 139 -6.177 -11.532 1.813 1028 HB2 ALA 139 2HB ALA 139 -4.721 -10.766 2.461 1029 HB3 ALA 139 3HB ALA 139 -4.619 -12.337 1.671 1030 H GLY 140 H GLY 140 -3.524 -11.744 -1.466 1031 HA2 GLY 140 2HA GLY 140 -4.496 -13.811 -2.599 1032 HA3 GLY 140 1HA GLY 140 -5.865 -12.752 -2.928 1033 HA PRO 141 HA PRO 141 -1.947 -11.038 -5.298 1034 HB2 PRO 141 2HB PRO 141 -0.495 -13.581 -5.705 1035 HB3 PRO 141 1HB PRO 141 0.120 -11.990 -5.233 1036 HG2 PRO 141 2HG PRO 141 0.012 -13.973 -3.470 1037 HG3 PRO 141 1HG PRO 141 -0.380 -12.306 -3.001 1038 HD2 PRO 141 2HD PRO 141 -2.233 -14.565 -3.665 1039 HD3 PRO 141 1HD PRO 141 -2.305 -13.415 -2.310 1040 H ALA 142 H ALA 142 -1.467 -11.173 -7.599 1041 HA ALA 142 HA ALA 142 -3.606 -12.523 -9.001 1042 HB1 ALA 142 1HB ALA 142 -3.143 -10.157 -9.505 1043 HB2 ALA 142 2HB ALA 142 -2.951 -11.175 -10.935 1044 HB3 ALA 142 3HB ALA 142 -1.531 -10.607 -10.064 1045 H GLU 143 H GLU 143 -0.770 -13.312 -8.076 1046 HA GLU 143 HA GLU 143 -0.472 -15.425 -10.058 1047 HB2 GLU 143 2HB GLU 143 1.283 -13.488 -10.330 1048 HB3 GLU 143 1HB GLU 143 1.929 -14.040 -8.802 1049 HG2 GLU 143 2HG GLU 143 1.798 -15.644 -11.354 1050 HG3 GLU 143 1HG GLU 143 3.222 -14.876 -10.676 Start of MODEL 22 1 H1 MET 1 1HT MET 1 27.465 -18.940 1.656 2 H2 MET 1 2HT MET 1 28.989 -19.586 1.379 3 H3 MET 1 3HT MET 1 28.309 -18.488 0.289 4 HA MET 1 HA MET 1 29.040 -17.845 3.065 5 HB2 MET 1 2HB MET 1 30.342 -16.993 0.457 6 HB3 MET 1 1HB MET 1 30.743 -16.362 2.042 7 HG2 MET 1 2HG MET 1 32.432 -17.912 1.414 8 HG3 MET 1 1HG MET 1 31.478 -18.651 2.693 9 HE1 MET 1 2HE MET 1 32.477 -21.032 2.142 10 HE2 MET 1 3HE MET 1 33.479 -20.290 0.895 11 HE3 MET 1 1HE MET 1 32.523 -21.724 0.521 12 H SER 2 H SER 2 27.813 -16.274 3.807 13 HA SER 2 HA SER 2 26.761 -14.322 1.901 14 HB2 SER 2 2HB SER 2 25.291 -15.561 4.225 15 HB3 SER 2 1HB SER 2 24.665 -14.302 3.159 16 HG SER 2 HG SER 2 25.025 -15.813 1.421 17 H ASP 3 H ASP 3 27.010 -12.272 2.516 18 HA ASP 3 HA ASP 3 27.855 -11.761 5.263 19 HB2 ASP 3 2HB ASP 3 29.044 -9.751 4.422 20 HB3 ASP 3 1HB ASP 3 29.675 -11.229 3.721 21 H ASN 4 H ASN 4 27.202 -9.670 6.092 22 HA ASN 4 HA ASN 4 24.386 -9.427 5.947 23 HB2 ASN 4 2HB ASN 4 25.718 -8.986 7.966 24 HB3 ASN 4 1HB ASN 4 26.424 -7.578 7.190 25 HD21 ASN 4 1HD2 ASN 4 25.712 -6.138 8.629 26 HD22 ASN 4 2HD2 ASN 4 24.060 -5.726 8.868 27 H ASN 5 H ASN 5 23.057 -7.895 5.005 28 HA ASN 5 HA ASN 5 24.048 -6.411 2.745 29 HB2 ASN 5 2HB ASN 5 21.299 -6.617 4.002 30 HB3 ASN 5 1HB ASN 5 21.644 -5.528 2.675 31 HD21 ASN 5 1HD2 ASN 5 20.138 -6.540 1.387 32 HD22 ASN 5 2HD2 ASN 5 20.401 -8.066 0.657 33 H GLY 6 H GLY 6 24.510 -4.303 2.618 34 HA2 GLY 6 2HA GLY 6 24.857 -2.759 4.955 35 HA3 GLY 6 1HA GLY 6 24.974 -2.171 3.297 36 H THR 7 H THR 7 23.751 -0.928 5.649 37 HA THR 7 HA THR 7 20.916 -1.090 5.112 38 HB THR 7 HB THR 7 22.418 0.557 7.154 39 HG1 THR 7 1HG THR 7 21.484 -2.102 7.090 40 HG21 THR 7 3HG2 THR 7 19.528 -0.347 7.033 41 HG22 THR 7 1HG2 THR 7 20.101 1.289 6.695 42 HG23 THR 7 2HG2 THR 7 20.275 0.615 8.313 43 HA PRO 8 HA PRO 8 21.283 2.333 2.180 44 HB2 PRO 8 2HB PRO 8 18.365 2.436 2.787 45 HB3 PRO 8 1HB PRO 8 19.185 2.428 1.221 46 HG2 PRO 8 2HG PRO 8 17.986 0.232 2.079 47 HG3 PRO 8 1HG PRO 8 19.572 0.133 1.290 48 HD2 PRO 8 2HD PRO 8 18.890 -0.039 4.199 49 HD3 PRO 8 1HD PRO 8 20.070 -0.972 3.249 50 H GLU 9 H GLU 9 21.502 4.498 2.445 51 HA GLU 9 HA GLU 9 20.892 5.582 5.045 52 HB2 GLU 9 2HB GLU 9 22.198 7.561 4.266 53 HB3 GLU 9 1HB GLU 9 23.115 6.063 4.235 54 HG2 GLU 9 2HG GLU 9 22.914 5.911 1.860 55 HG3 GLU 9 1HG GLU 9 21.759 7.239 1.832 56 HA PRO 10 HA PRO 10 17.512 7.916 3.223 57 HB2 PRO 10 2HB PRO 10 16.364 8.653 5.535 58 HB3 PRO 10 1HB PRO 10 16.234 6.988 4.960 59 HG2 PRO 10 2HG PRO 10 17.907 8.113 7.132 60 HG3 PRO 10 1HG PRO 10 17.203 6.496 6.981 61 HD2 PRO 10 2HD PRO 10 19.884 7.250 6.384 62 HD3 PRO 10 1HD PRO 10 19.094 5.702 6.029 63 H GLN 11 H GLN 11 16.667 10.247 4.371 64 HA GLN 11 HA GLN 11 19.116 11.855 4.430 65 HB2 GLN 11 2HB GLN 11 16.320 12.590 3.527 66 HB3 GLN 11 1HB GLN 11 17.682 13.703 3.586 67 HG2 GLN 11 2HG GLN 11 18.873 12.351 1.930 68 HG3 GLN 11 1HG GLN 11 17.537 11.209 1.895 69 HE21 GLN 11 1HE2 GLN 11 18.714 12.783 -0.251 70 HE22 GLN 11 2HE2 GLN 11 17.427 13.715 -0.920 71 H VAL 12 H VAL 12 18.785 13.948 5.762 72 HA VAL 12 HA VAL 12 17.350 13.210 8.220 73 HB VAL 12 HB VAL 12 19.695 15.125 7.898 74 HG11 VAL 12 1HG1 VAL 12 18.336 14.105 10.396 75 HG12 VAL 12 2HG1 VAL 12 18.236 15.744 9.758 76 HG13 VAL 12 3HG1 VAL 12 19.775 15.121 10.356 77 HG21 VAL 12 3HG2 VAL 12 19.652 12.383 9.145 78 HG22 VAL 12 1HG2 VAL 12 21.040 13.455 9.002 79 HG23 VAL 12 2HG2 VAL 12 20.314 12.753 7.553 80 H GLU 13 H GLU 13 15.698 14.486 8.831 81 HA GLU 13 HA GLU 13 15.376 17.158 7.811 82 HB2 GLU 13 2HB GLU 13 14.718 15.900 5.879 83 HB3 GLU 13 1HB GLU 13 13.763 14.813 6.861 84 HG2 GLU 13 2HG GLU 13 12.235 16.681 7.371 85 HG3 GLU 13 1HG GLU 13 13.169 17.691 6.262 86 H THR 14 H THR 14 14.272 18.230 9.403 87 HA THR 14 HA THR 14 12.778 16.826 11.393 88 HB THR 14 HB THR 14 12.765 19.801 10.714 89 HG1 THR 14 1HG THR 14 14.737 19.578 11.427 90 HG21 THR 14 3HG2 THR 14 10.834 19.104 12.084 91 HG22 THR 14 1HG2 THR 14 11.945 20.102 13.022 92 HG23 THR 14 2HG2 THR 14 11.930 18.354 13.241 93 H TPO 15 H TPO 15 10.531 16.434 11.291 94 HA TPO 15 HA TPO 15 9.474 16.918 8.604 95 HB TPO 15 HB TPO 15 8.484 14.929 10.654 96 HG21 TPO 15 1HG2 TPO 15 8.209 15.058 7.641 97 HG22 TPO 15 2HG2 TPO 15 6.939 15.465 8.794 98 HG23 TPO 15 3HG2 TPO 15 7.542 13.810 8.692 99 H SER 16 H SER 16 7.808 18.190 8.299 100 HA SER 16 HA SER 16 6.539 19.458 10.547 101 HB2 SER 16 2HB SER 16 7.409 20.809 8.660 102 HB3 SER 16 1HB SER 16 6.339 19.947 7.559 103 HG SER 16 HG SER 16 5.114 21.573 7.998 104 H VAL 17 H VAL 17 4.635 18.722 11.265 105 HA VAL 17 HA VAL 17 3.146 16.777 9.715 106 HB VAL 17 HB VAL 17 2.402 18.035 12.376 107 HG11 VAL 17 1HG1 VAL 17 0.541 16.974 11.245 108 HG12 VAL 17 2HG1 VAL 17 0.999 16.045 12.674 109 HG13 VAL 17 3HG1 VAL 17 1.469 15.484 11.071 110 HG21 VAL 17 3HG2 VAL 17 3.910 15.467 11.895 111 HG22 VAL 17 1HG2 VAL 17 3.322 16.026 13.460 112 HG23 VAL 17 2HG2 VAL 17 4.565 16.943 12.607 113 H PHE 18 H PHE 18 1.812 17.553 8.213 114 HA PHE 18 HA PHE 18 0.414 19.999 8.874 115 HB2 PHE 18 2HB PHE 18 0.162 20.512 6.459 116 HB3 PHE 18 1HB PHE 18 1.824 20.533 7.006 117 HD1 PHE 18 2HD PHE 18 -0.678 18.618 5.059 118 HD2 PHE 18 1HD PHE 18 3.431 19.149 6.013 119 HE1 PHE 18 2HE PHE 18 -0.057 17.176 3.174 120 HE2 PHE 18 1HE PHE 18 4.053 17.723 4.139 121 HZ PHE 18 HZ PHE 18 2.313 16.726 2.703 122 H ARG 19 H ARG 19 -1.692 20.216 8.436 123 HA ARG 19 HA ARG 19 -3.081 17.706 8.669 124 HB2 ARG 19 2HB ARG 19 -4.189 20.520 8.573 125 HB3 ARG 19 1HB ARG 19 -5.058 19.083 9.079 126 HG2 ARG 19 2HG ARG 19 -3.466 18.867 10.982 127 HG3 ARG 19 1HG ARG 19 -2.765 20.413 10.499 128 HD2 ARG 19 2HD ARG 19 -4.375 20.797 12.253 129 HD3 ARG 19 1HD ARG 19 -5.002 21.447 10.736 130 HE ARG 19 HE ARG 19 -5.797 18.748 11.354 131 HH11 ARG 19 1HH1 ARG 19 -6.723 22.158 11.499 132 HH12 ARG 19 2HH1 ARG 19 -8.365 21.836 11.813 133 HH21 ARG 19 1HH2 ARG 19 -8.049 18.310 11.771 134 HH22 ARG 19 2HH2 ARG 19 -9.137 19.602 11.972 135 H ALA 20 H ALA 20 -3.039 16.720 6.759 136 HA ALA 20 HA ALA 20 -3.350 18.165 4.300 137 HB1 ALA 20 1HB ALA 20 -1.743 16.336 4.468 138 HB2 ALA 20 2HB ALA 20 -2.933 16.038 3.203 139 HB3 ALA 20 3HB ALA 20 -3.062 15.204 4.752 140 H ASP 21 H ASP 21 -4.694 16.690 2.626 141 HA ASP 21 HA ASP 21 -7.344 17.507 3.174 142 HB2 ASP 21 2HB ASP 21 -7.735 16.715 0.850 143 HB3 ASP 21 1HB ASP 21 -6.413 17.865 1.020 144 H LEU 22 H LEU 22 -5.974 14.795 4.266 145 HA LEU 22 HA LEU 22 -8.021 12.920 3.452 146 HB2 LEU 22 2HB LEU 22 -6.931 11.245 4.711 147 HB3 LEU 22 1HB LEU 22 -5.689 12.148 3.887 148 HG LEU 22 HG LEU 22 -6.375 12.439 6.825 149 HD11 LEU 22 1HD1 LEU 22 -4.147 10.934 5.480 150 HD12 LEU 22 2HD1 LEU 22 -5.506 10.238 6.367 151 HD13 LEU 22 3HD1 LEU 22 -4.300 11.202 7.215 152 HD21 LEU 22 3HD2 LEU 22 -4.024 13.452 5.232 153 HD22 LEU 22 1HD2 LEU 22 -4.197 13.570 6.982 154 HD23 LEU 22 2HD2 LEU 22 -5.309 14.446 5.936 155 H LEU 23 H LEU 23 -7.746 15.270 5.875 156 HA LEU 23 HA LEU 23 -9.006 13.902 7.980 157 HB2 LEU 23 2HB LEU 23 -9.144 16.144 9.040 158 HB3 LEU 23 1HB LEU 23 -7.545 15.595 8.616 159 HG LEU 23 HG LEU 23 -7.690 17.121 6.587 160 HD11 LEU 23 1HD1 LEU 23 -10.053 18.277 8.045 161 HD12 LEU 23 2HD1 LEU 23 -10.104 17.415 6.510 162 HD13 LEU 23 3HD1 LEU 23 -9.257 18.958 6.624 163 HD21 LEU 23 3HD2 LEU 23 -7.838 18.373 9.310 164 HD22 LEU 23 1HD2 LEU 23 -7.153 19.114 7.864 165 HD23 LEU 23 2HD2 LEU 23 -6.411 17.667 8.551 166 H LYS 24 H LYS 24 -10.464 14.852 5.215 167 HA LYS 24 HA LYS 24 -12.958 15.504 6.595 168 HB2 LYS 24 2HB LYS 24 -12.293 15.684 3.664 169 HB3 LYS 24 1HB LYS 24 -13.866 16.044 4.350 170 HG2 LYS 24 2HG LYS 24 -12.758 17.828 5.707 171 HG3 LYS 24 1HG LYS 24 -11.289 17.512 4.787 172 HD2 LYS 24 2HD LYS 24 -12.464 18.033 2.700 173 HD3 LYS 24 1HD LYS 24 -13.941 18.329 3.614 174 HE2 LYS 24 2HE LYS 24 -11.373 19.840 3.985 175 HE3 LYS 24 1HE LYS 24 -12.714 20.389 2.984 176 HZ1 LYS 24 3HZ LYS 24 -12.867 19.867 5.911 177 HZ2 LYS 24 1HZ LYS 24 -14.110 20.464 4.958 178 HZ3 LYS 24 2HZ LYS 24 -12.706 21.368 5.233 179 H GLU 25 H GLU 25 -11.365 12.952 4.971 180 HA GLU 25 HA GLU 25 -13.698 11.786 3.849 181 HB2 GLU 25 2HB GLU 25 -11.391 11.441 2.938 182 HB3 GLU 25 1HB GLU 25 -11.058 10.408 4.323 183 HG2 GLU 25 2HG GLU 25 -12.926 8.951 3.659 184 HG3 GLU 25 1HG GLU 25 -13.179 9.962 2.246 185 H MET 26 H MET 26 -12.238 11.669 6.935 186 HA MET 26 HA MET 26 -13.046 9.101 7.771 187 HB2 MET 26 2HB MET 26 -11.396 10.575 8.983 188 HB3 MET 26 1HB MET 26 -12.763 11.524 9.552 189 HG2 MET 26 2HG MET 26 -13.682 9.448 10.596 190 HG3 MET 26 1HG MET 26 -12.187 8.644 10.129 191 HE1 MET 26 3HE MET 26 -12.827 12.273 11.565 192 HE2 MET 26 1HE MET 26 -12.527 11.995 13.281 193 HE3 MET 26 2HE MET 26 -13.896 11.214 12.488 194 H GLU 27 H GLU 27 -14.604 12.279 8.131 195 HA GLU 27 HA GLU 27 -16.945 10.976 9.177 196 HB2 GLU 27 2HB GLU 27 -16.109 13.122 10.125 197 HB3 GLU 27 1HB GLU 27 -16.530 13.906 8.610 198 HG2 GLU 27 2HG GLU 27 -18.854 13.400 8.933 199 HG3 GLU 27 1HG GLU 27 -18.481 12.471 10.382 200 H SER 28 H SER 28 -15.820 12.205 6.116 201 HA SER 28 HA SER 28 -18.285 12.454 4.780 202 HB2 SER 28 2HB SER 28 -16.045 13.161 3.844 203 HB3 SER 28 1HB SER 28 -15.657 11.452 3.638 204 HG SER 28 HG SER 28 -16.506 11.691 1.779 205 H SER 29 H SER 29 -16.393 9.779 5.769 206 HA SER 29 HA SER 29 -17.554 7.657 4.384 207 HB2 SER 29 2HB SER 29 -15.432 7.505 5.539 208 HB3 SER 29 1HB SER 29 -16.197 7.875 7.075 209 HG SER 29 HG SER 29 -15.906 5.771 7.038 210 H THR 30 H THR 30 -18.435 9.344 7.406 211 HA THR 30 HA THR 30 -20.198 9.370 8.754 212 HB THR 30 HB THR 30 -21.728 7.733 6.684 213 HG1 THR 30 1HG THR 30 -20.941 9.468 5.587 214 HG21 THR 30 3HG2 THR 30 -22.641 9.812 8.691 215 HG22 THR 30 1HG2 THR 30 -22.859 8.072 8.864 216 HG23 THR 30 2HG2 THR 30 -23.682 8.940 7.571 217 H GLY 31 H GLY 31 -18.659 6.594 7.930 218 HA2 GLY 31 2HA GLY 31 -18.732 5.314 10.307 219 HA3 GLY 31 1HA GLY 31 -20.085 4.639 9.392 220 H THR 32 H THR 32 -16.678 4.827 9.690 221 HA THR 32 HA THR 32 -16.126 3.695 7.150 222 HB THR 32 HB THR 32 -14.420 4.011 9.624 223 HG1 THR 32 1HG THR 32 -14.118 5.904 8.892 224 HG21 THR 32 3HG2 THR 32 -12.492 3.553 8.223 225 HG22 THR 32 1HG2 THR 32 -13.521 3.378 6.799 226 HG23 THR 32 2HG2 THR 32 -13.604 2.191 8.096 227 H ALA 33 H ALA 33 -16.333 1.726 6.557 228 HA ALA 33 HA ALA 33 -16.287 -0.409 8.540 229 HB1 ALA 33 1HB ALA 33 -18.065 -1.524 7.276 230 HB2 ALA 33 2HB ALA 33 -18.172 -0.134 6.198 231 HB3 ALA 33 3HB ALA 33 -18.603 0.036 7.899 232 HA PRO 34 HA PRO 34 -13.159 -1.581 5.458 233 HB2 PRO 34 2HB PRO 34 -12.807 -3.711 7.515 234 HB3 PRO 34 1HB PRO 34 -11.578 -2.712 6.729 235 HG2 PRO 34 2HG PRO 34 -12.252 -2.234 9.244 236 HG3 PRO 34 1HG PRO 34 -11.978 -0.890 8.118 237 HD2 PRO 34 2HD PRO 34 -14.568 -2.052 9.081 238 HD3 PRO 34 1HD PRO 34 -14.104 -0.347 8.868 239 H ALA 35 H ALA 35 -13.338 -3.173 3.959 240 HA ALA 35 HA ALA 35 -15.845 -4.468 3.772 241 HB1 ALA 35 1HB ALA 35 -14.704 -3.605 1.820 242 HB2 ALA 35 2HB ALA 35 -14.952 -5.354 1.690 243 HB3 ALA 35 3HB ALA 35 -13.362 -4.717 2.101 244 H SER 36 H SER 36 -16.365 -6.389 4.527 245 HA SER 36 HA SER 36 -14.344 -8.104 5.627 246 HB2 SER 36 2HB SER 36 -17.348 -8.478 5.441 247 HB3 SER 36 1HB SER 36 -16.246 -9.409 6.456 248 HG SER 36 HG SER 36 -15.666 -7.127 7.218 249 H THR 37 H THR 37 -13.209 -8.881 3.951 250 HA THR 37 HA THR 37 -14.617 -10.231 1.771 251 HB THR 37 HB THR 37 -11.683 -9.451 1.988 252 HG1 THR 37 1HG THR 37 -13.861 -7.963 1.653 253 HG21 THR 37 3HG2 THR 37 -12.180 -11.192 0.290 254 HG22 THR 37 1HG2 THR 37 -11.686 -9.677 -0.465 255 HG23 THR 37 2HG2 THR 37 -13.389 -10.128 -0.430 256 H GLY 38 H GLY 38 -13.701 -12.460 1.175 257 HA2 GLY 38 2HA GLY 38 -13.251 -13.940 3.634 258 HA3 GLY 38 1HA GLY 38 -13.660 -14.605 2.056 259 H ALA 39 H ALA 39 -11.244 -12.271 2.404 260 HA ALA 39 HA ALA 39 -9.324 -14.110 1.359 261 HB1 ALA 39 1HB ALA 39 -7.941 -12.115 0.959 262 HB2 ALA 39 2HB ALA 39 -9.150 -11.138 1.790 263 HB3 ALA 39 3HB ALA 39 -9.562 -11.958 0.283 264 H GLU 40 H GLU 40 -10.360 -13.504 4.274 265 HA GLU 40 HA GLU 40 -8.171 -12.627 5.842 266 HB2 GLU 40 2HB GLU 40 -9.579 -13.469 7.754 267 HB3 GLU 40 1HB GLU 40 -10.317 -12.254 6.720 268 HG2 GLU 40 2HG GLU 40 -11.686 -13.884 5.652 269 HG3 GLU 40 1HG GLU 40 -10.799 -15.205 6.406 270 H ASN 41 H ASN 41 -8.486 -15.508 4.289 271 HA ASN 41 HA ASN 41 -7.150 -17.061 6.375 272 HB2 ASN 41 2HB ASN 41 -9.169 -18.060 5.255 273 HB3 ASN 41 1HB ASN 41 -8.313 -17.986 3.721 274 HD21 ASN 41 1HD2 ASN 41 -6.785 -19.610 3.241 275 HD22 ASN 41 2HD2 ASN 41 -6.549 -20.958 4.261 276 H LEU 42 H LEU 42 -6.497 -15.000 3.956 277 HA LEU 42 HA LEU 42 -4.763 -14.449 2.675 278 HB2 LEU 42 2HB LEU 42 -3.392 -16.260 4.602 279 HB3 LEU 42 1HB LEU 42 -2.466 -15.431 3.352 280 HG LEU 42 HG LEU 42 -2.131 -14.247 5.376 281 HD11 LEU 42 1HD1 LEU 42 -3.067 -12.048 5.013 282 HD12 LEU 42 2HD1 LEU 42 -4.200 -12.722 3.844 283 HD13 LEU 42 3HD1 LEU 42 -2.464 -12.780 3.525 284 HD21 LEU 42 3HD2 LEU 42 -3.939 -13.395 6.824 285 HD22 LEU 42 1HD2 LEU 42 -3.934 -15.158 6.729 286 HD23 LEU 42 2HD2 LEU 42 -5.119 -14.229 5.815 287 HA PRO 43 HA PRO 43 -5.644 -18.100 -0.017 288 HB2 PRO 43 2HB PRO 43 -5.461 -16.550 -2.327 289 HB3 PRO 43 1HB PRO 43 -6.945 -16.907 -1.438 290 HG2 PRO 43 2HG PRO 43 -5.180 -14.506 -1.298 291 HG3 PRO 43 1HG PRO 43 -6.954 -14.591 -1.282 292 HD2 PRO 43 2HD PRO 43 -5.592 -14.156 0.933 293 HD3 PRO 43 1HD PRO 43 -7.004 -15.234 0.957 294 H ALA 44 H ALA 44 -3.368 -15.638 -1.244 295 HA ALA 44 HA ALA 44 -1.696 -17.735 -2.350 296 HB1 ALA 44 1HB ALA 44 -2.126 -15.697 -3.636 297 HB2 ALA 44 2HB ALA 44 -0.403 -15.934 -3.344 298 HB3 ALA 44 3HB ALA 44 -1.302 -14.748 -2.399 299 H GLY 45 H GLY 45 -1.908 -16.436 0.656 300 HA2 GLY 45 2HA GLY 45 -0.488 -16.610 2.490 301 HA3 GLY 45 1HA GLY 45 0.719 -17.327 1.428 302 H SER 46 H SER 46 -0.463 -14.495 0.193 303 HA SER 46 HA SER 46 1.417 -12.707 1.449 304 HB2 SER 46 2HB SER 46 1.337 -13.250 -1.541 305 HB3 SER 46 1HB SER 46 2.309 -12.011 -0.749 306 HG SER 46 HG SER 46 3.743 -13.438 -0.416 307 H ALA 47 H ALA 47 0.927 -10.440 0.440 308 HA ALA 47 HA ALA 47 -1.763 -10.221 -0.539 309 HB1 ALA 47 1HB ALA 47 -2.031 -10.274 1.891 310 HB2 ALA 47 2HB ALA 47 -2.433 -8.687 1.235 311 HB3 ALA 47 3HB ALA 47 -0.886 -8.941 2.043 312 H LEU 48 H LEU 48 -2.243 -7.997 -1.206 313 HA LEU 48 HA LEU 48 0.168 -6.478 -1.756 314 HB2 LEU 48 2HB LEU 48 -0.397 -6.180 -4.080 315 HB3 LEU 48 1HB LEU 48 -0.229 -7.880 -3.732 316 HG LEU 48 HG LEU 48 -2.904 -6.483 -4.041 317 HD11 LEU 48 1HD1 LEU 48 -2.963 -7.484 -6.268 318 HD12 LEU 48 2HD1 LEU 48 -1.323 -8.091 -6.038 319 HD13 LEU 48 3HD1 LEU 48 -1.619 -6.352 -6.106 320 HD21 LEU 48 3HD2 LEU 48 -3.021 -8.592 -2.784 321 HD22 LEU 48 1HD2 LEU 48 -2.151 -9.412 -4.080 322 HD23 LEU 48 2HD2 LEU 48 -3.761 -8.763 -4.375 323 H LEU 49 H LEU 49 -0.201 -4.314 -2.252 324 HA LEU 49 HA LEU 49 -2.835 -3.420 -1.421 325 HB2 LEU 49 2HB LEU 49 -1.732 -1.261 -0.726 326 HB3 LEU 49 1HB LEU 49 -1.358 -2.641 0.269 327 HG LEU 49 HG LEU 49 0.845 -2.765 -1.081 328 HD11 LEU 49 1HD1 LEU 49 0.266 -1.248 -2.879 329 HD12 LEU 49 2HD1 LEU 49 1.667 -0.659 -1.980 330 HD13 LEU 49 3HD1 LEU 49 0.081 0.072 -1.725 331 HD21 LEU 49 3HD2 LEU 49 0.325 -0.472 0.803 332 HD22 LEU 49 1HD2 LEU 49 1.911 -1.125 0.394 333 HD23 LEU 49 2HD2 LEU 49 0.740 -2.125 1.256 334 H VAL 50 H VAL 50 -3.935 -2.112 -2.643 335 HA VAL 50 HA VAL 50 -2.685 -1.359 -5.181 336 HB VAL 50 HB VAL 50 -4.417 -3.072 -5.530 337 HG11 VAL 50 1HG1 VAL 50 -5.814 -2.709 -3.594 338 HG12 VAL 50 2HG1 VAL 50 -6.787 -2.643 -5.064 339 HG13 VAL 50 3HG1 VAL 50 -6.340 -1.153 -4.237 340 HG21 VAL 50 3HG2 VAL 50 -5.829 -1.909 -7.181 341 HG22 VAL 50 1HG2 VAL 50 -4.140 -1.408 -7.293 342 HG23 VAL 50 2HG2 VAL 50 -5.322 -0.360 -6.507 343 H VAL 51 H VAL 51 -2.771 0.715 -5.799 344 HA VAL 51 HA VAL 51 -3.758 2.613 -3.868 345 HB VAL 51 HB VAL 51 -2.749 3.178 -6.662 346 HG11 VAL 51 1HG1 VAL 51 -3.850 5.035 -5.545 347 HG12 VAL 51 2HG1 VAL 51 -2.126 5.361 -5.725 348 HG13 VAL 51 3HG1 VAL 51 -2.772 4.863 -4.159 349 HG21 VAL 51 3HG2 VAL 51 -1.071 2.919 -4.162 350 HG22 VAL 51 1HG2 VAL 51 -0.497 3.514 -5.720 351 HG23 VAL 51 2HG2 VAL 51 -1.037 1.843 -5.557 352 H LYS 52 H LYS 52 -5.748 3.185 -3.858 353 HA LYS 52 HA LYS 52 -7.502 2.437 -6.036 354 HB2 LYS 52 2HB LYS 52 -8.093 1.813 -3.754 355 HB3 LYS 52 1HB LYS 52 -8.045 3.485 -3.254 356 HG2 LYS 52 2HG LYS 52 -10.325 2.804 -3.373 357 HG3 LYS 52 1HG LYS 52 -10.031 3.910 -4.704 358 HD2 LYS 52 2HD LYS 52 -9.879 0.931 -5.132 359 HD3 LYS 52 1HD LYS 52 -11.439 1.745 -5.100 360 HE2 LYS 52 2HE LYS 52 -10.713 3.199 -6.925 361 HE3 LYS 52 1HE LYS 52 -9.152 2.403 -6.970 362 HZ1 LYS 52 3HZ LYS 52 -11.757 1.088 -7.508 363 HZ2 LYS 52 1HZ LYS 52 -10.249 0.347 -7.622 364 HZ3 LYS 52 2HZ LYS 52 -10.652 1.601 -8.663 365 H ARG 53 H ARG 53 -6.195 5.220 -4.455 366 HA ARG 53 HA ARG 53 -7.259 6.947 -6.526 367 HB2 ARG 53 2HB ARG 53 -8.922 7.016 -4.677 368 HB3 ARG 53 1HB ARG 53 -7.644 7.528 -3.586 369 HG2 ARG 53 2HG ARG 53 -7.323 9.499 -5.213 370 HG3 ARG 53 1HG ARG 53 -8.912 9.045 -5.836 371 HD2 ARG 53 2HD ARG 53 -9.132 10.743 -4.129 372 HD3 ARG 53 1HD ARG 53 -9.828 9.214 -3.570 373 HE ARG 53 HE ARG 53 -7.077 9.935 -2.883 374 HH11 ARG 53 1HH1 ARG 53 -10.367 9.250 -1.826 375 HH12 ARG 53 2HH1 ARG 53 -10.005 9.104 -0.179 376 HH21 ARG 53 1HH2 ARG 53 -6.491 9.632 -0.597 377 HH22 ARG 53 2HH2 ARG 53 -7.682 9.254 0.522 378 H GLY 54 H GLY 54 -5.831 8.566 -6.952 379 HA2 GLY 54 2HA GLY 54 -4.241 10.121 -5.680 380 HA3 GLY 54 1HA GLY 54 -3.382 8.615 -5.358 381 HA PRO 55 HA PRO 55 -2.017 10.631 -9.472 382 HB2 PRO 55 2HB PRO 55 0.542 10.222 -7.981 383 HB3 PRO 55 1HB PRO 55 0.091 11.525 -9.091 384 HG2 PRO 55 2HG PRO 55 0.095 11.959 -6.486 385 HG3 PRO 55 1HG PRO 55 -1.219 12.601 -7.490 386 HD2 PRO 55 2HD PRO 55 -1.209 10.249 -5.656 387 HD3 PRO 55 1HD PRO 55 -2.497 11.428 -5.974 388 H ASN 56 H ASN 56 -0.425 8.034 -7.485 389 HA ASN 56 HA ASN 56 -0.050 6.590 -9.957 390 HB2 ASN 56 2HB ASN 56 1.184 4.909 -8.543 391 HB3 ASN 56 1HB ASN 56 1.880 6.516 -8.634 392 HD21 ASN 56 1HD2 ASN 56 3.047 6.082 -6.763 393 HD22 ASN 56 2HD2 ASN 56 2.317 6.102 -5.218 394 H ALA 57 H ALA 57 -2.776 6.912 -8.720 395 HA ALA 57 HA ALA 57 -3.754 4.503 -7.702 396 HB1 ALA 57 1HB ALA 57 -5.213 6.375 -9.565 397 HB2 ALA 57 2HB ALA 57 -5.090 6.569 -7.817 398 HB3 ALA 57 3HB ALA 57 -5.945 5.184 -8.491 399 H GLY 58 H GLY 58 -4.420 2.623 -8.536 400 HA2 GLY 58 2HA GLY 58 -5.077 1.223 -10.367 401 HA3 GLY 58 1HA GLY 58 -4.124 2.246 -11.439 402 H ALA 59 H ALA 59 -2.030 2.266 -9.223 403 HA ALA 59 HA ALA 59 -0.623 -0.068 -10.173 404 HB1 ALA 59 1HB ALA 59 0.243 2.065 -8.221 405 HB2 ALA 59 2HB ALA 59 0.579 2.059 -9.953 406 HB3 ALA 59 3HB ALA 59 1.280 0.818 -8.915 407 H ARG 60 H ARG 60 -0.007 -1.777 -8.928 408 HA ARG 60 HA ARG 60 -0.980 -1.874 -6.187 409 HB2 ARG 60 2HB ARG 60 -1.873 -4.149 -6.537 410 HB3 ARG 60 1HB ARG 60 -2.712 -2.980 -7.537 411 HG2 ARG 60 2HG ARG 60 -1.331 -3.670 -9.455 412 HG3 ARG 60 1HG ARG 60 -0.575 -4.888 -8.432 413 HD2 ARG 60 2HD ARG 60 -2.772 -5.920 -8.073 414 HD3 ARG 60 1HD ARG 60 -3.494 -4.720 -9.149 415 HE ARG 60 HE ARG 60 -1.368 -5.938 -10.462 416 HH11 ARG 60 1HH1 ARG 60 -4.642 -6.756 -9.377 417 HH12 ARG 60 2HH1 ARG 60 -4.873 -7.944 -10.566 418 HH21 ARG 60 1HH2 ARG 60 -1.676 -7.567 -12.052 419 HH22 ARG 60 2HH2 ARG 60 -3.155 -8.431 -12.122 420 H PHE 61 H PHE 61 0.372 -2.910 -4.849 421 HA PHE 61 HA PHE 61 2.741 -4.135 -6.076 422 HB2 PHE 61 2HB PHE 61 2.735 -2.220 -3.734 423 HB3 PHE 61 1HB PHE 61 4.146 -3.060 -4.366 424 HD1 PHE 61 2HD PHE 61 4.938 -2.513 -6.688 425 HD2 PHE 61 1HD PHE 61 1.986 -0.197 -4.678 426 HE1 PHE 61 2HE PHE 61 5.331 -0.654 -8.252 427 HE2 PHE 61 1HE PHE 61 2.373 1.661 -6.238 428 HZ PHE 61 HZ PHE 61 4.047 1.434 -8.025 429 H LEU 62 H LEU 62 3.268 -6.012 -5.219 430 HA LEU 62 HA LEU 62 1.692 -6.901 -2.956 431 HB2 LEU 62 2HB LEU 62 2.392 -9.189 -3.454 432 HB3 LEU 62 1HB LEU 62 1.636 -8.448 -4.837 433 HG LEU 62 HG LEU 62 4.644 -8.599 -4.648 434 HD11 LEU 62 1HD1 LEU 62 3.762 -10.859 -4.263 435 HD12 LEU 62 2HD1 LEU 62 4.530 -10.717 -5.841 436 HD13 LEU 62 3HD1 LEU 62 2.772 -10.715 -5.718 437 HD21 LEU 62 3HD2 LEU 62 2.684 -8.538 -6.959 438 HD22 LEU 62 1HD2 LEU 62 4.429 -8.693 -7.105 439 HD23 LEU 62 2HD2 LEU 62 3.742 -7.214 -6.465 440 H LEU 63 H LEU 63 2.535 -7.562 -1.081 441 HA LEU 63 HA LEU 63 5.167 -6.496 -0.607 442 HB2 LEU 63 2HB LEU 63 3.082 -7.612 1.275 443 HB3 LEU 63 1HB LEU 63 4.660 -7.068 1.791 444 HG LEU 63 HG LEU 63 3.052 -5.377 2.327 445 HD11 LEU 63 1HD1 LEU 63 4.670 -4.484 -0.040 446 HD12 LEU 63 2HD1 LEU 63 5.211 -4.573 1.635 447 HD13 LEU 63 3HD1 LEU 63 3.941 -3.439 1.180 448 HD21 LEU 63 3HD2 LEU 63 2.319 -5.212 -0.591 449 HD22 LEU 63 1HD2 LEU 63 1.632 -4.256 0.714 450 HD23 LEU 63 2HD2 LEU 63 1.324 -6.001 0.621 451 H ASP 64 H ASP 64 6.685 -7.702 -1.210 452 HA ASP 64 HA ASP 64 6.759 -10.554 -0.453 453 HB2 ASP 64 2HB ASP 64 6.445 -10.244 -2.899 454 HB3 ASP 64 1HB ASP 64 7.884 -9.241 -2.947 455 H GLN 65 H GLN 65 7.947 -7.575 0.054 456 HA GLN 65 HA GLN 65 10.611 -8.515 0.630 457 HB2 GLN 65 2HB GLN 65 11.332 -6.154 0.650 458 HB3 GLN 65 1HB GLN 65 10.665 -6.613 -0.889 459 HG2 GLN 65 2HG GLN 65 9.205 -4.971 1.195 460 HG3 GLN 65 1HG GLN 65 10.145 -4.286 -0.110 461 HE21 GLN 65 1HE2 GLN 65 8.495 -3.176 -1.141 462 HE22 GLN 65 2HE2 GLN 65 7.142 -3.977 -1.842 463 HA PRO 66 HA PRO 66 9.650 -8.404 4.935 464 HB2 PRO 66 2HB PRO 66 12.436 -7.621 5.491 465 HB3 PRO 66 1HB PRO 66 11.575 -9.094 5.944 466 HG2 PRO 66 2HG PRO 66 13.481 -9.122 4.065 467 HG3 PRO 66 1HG PRO 66 12.035 -10.140 3.933 468 HD2 PRO 66 2HD PRO 66 12.653 -7.548 2.565 469 HD3 PRO 66 1HD PRO 66 11.935 -9.040 1.911 470 H THR 67 H THR 67 10.956 -5.609 3.401 471 HA THR 67 HA THR 67 9.723 -3.947 5.417 472 HB THR 67 HB THR 67 12.668 -3.609 4.709 473 HG1 THR 67 1HG THR 67 11.451 -5.056 6.575 474 HG21 THR 67 3HG2 THR 67 10.924 -2.021 6.614 475 HG22 THR 67 1HG2 THR 67 11.486 -1.457 5.037 476 HG23 THR 67 2HG2 THR 67 12.648 -1.774 6.321 477 H THR 68 H THR 68 8.684 -2.379 4.381 478 HA THR 68 HA THR 68 9.589 -1.554 1.707 479 HB THR 68 HB THR 68 6.763 -1.511 2.746 480 HG1 THR 68 1HG THR 68 7.566 -3.436 0.881 481 HG21 THR 68 3HG2 THR 68 6.195 -1.388 0.382 482 HG22 THR 68 1HG2 THR 68 7.909 -1.441 -0.037 483 HG23 THR 68 2HG2 THR 68 7.263 -0.063 0.856 484 H THR 69 H THR 69 10.293 0.591 1.825 485 HA THR 69 HA THR 69 9.403 2.212 4.017 486 HB THR 69 HB THR 69 11.012 3.884 2.883 487 HG1 THR 69 1HG THR 69 12.554 2.645 1.491 488 HG21 THR 69 3HG2 THR 69 13.002 2.723 3.755 489 HG22 THR 69 1HG2 THR 69 12.098 1.210 3.803 490 HG23 THR 69 2HG2 THR 69 11.641 2.544 4.861 491 H ALA 70 H ALA 70 8.004 3.978 3.843 492 HA ALA 70 HA ALA 70 7.026 4.595 1.170 493 HB1 ALA 70 1HB ALA 70 5.425 3.145 2.287 494 HB2 ALA 70 2HB ALA 70 4.764 4.769 2.076 495 HB3 ALA 70 3HB ALA 70 5.354 4.251 3.657 496 H GLY 71 H GLY 71 6.409 6.680 0.841 497 HA2 GLY 71 2HA GLY 71 5.809 8.747 2.293 498 HA3 GLY 71 1HA GLY 71 7.535 8.615 2.664 499 H ARG 72 H ARG 72 7.647 10.718 1.571 500 HA ARG 72 HA ARG 72 7.834 10.223 -1.332 501 HB2 ARG 72 2HB ARG 72 6.158 11.958 -0.390 502 HB3 ARG 72 1HB ARG 72 7.565 12.947 -0.053 503 HG2 ARG 72 2HG ARG 72 6.700 11.948 -2.768 504 HG3 ARG 72 1HG ARG 72 6.413 13.562 -2.140 505 HD2 ARG 72 2HD ARG 72 8.818 13.976 -2.115 506 HD3 ARG 72 1HD ARG 72 9.110 12.331 -2.680 507 HE ARG 72 HE ARG 72 7.340 13.717 -4.411 508 HH11 ARG 72 1HH1 ARG 72 10.787 13.524 -3.623 509 HH12 ARG 72 2HH1 ARG 72 11.281 13.877 -5.213 510 HH21 ARG 72 1HH2 ARG 72 7.993 14.209 -6.486 511 HH22 ARG 72 2HH2 ARG 72 9.662 14.305 -6.902 512 H HIS 73 H HIS 73 9.869 9.981 -1.833 513 HA HIS 73 HA HIS 73 11.921 11.718 -1.649 514 HB2 HIS 73 2HB HIS 73 13.478 10.675 0.065 515 HB3 HIS 73 1HB HIS 73 12.064 11.376 0.820 516 HD1 HIS 73 1HD HIS 73 10.599 9.785 2.201 517 HD2 HIS 73 2HD HIS 73 13.631 7.881 0.142 518 HE1 HIS 73 1HE HIS 73 10.636 7.415 3.062 519 HA PRO 74 HA PRO 74 13.353 8.893 -4.689 520 HB2 PRO 74 2HB PRO 74 16.109 8.841 -3.619 521 HB3 PRO 74 1HB PRO 74 15.534 9.369 -5.203 522 HG2 PRO 74 2HG PRO 74 16.342 11.142 -3.383 523 HG3 PRO 74 1HG PRO 74 14.960 11.479 -4.442 524 HD2 PRO 74 2HD PRO 74 14.982 10.624 -1.568 525 HD3 PRO 74 1HD PRO 74 13.945 11.818 -2.378 526 H GLU 75 H GLU 75 14.299 8.005 -1.463 527 HA GLU 75 HA GLU 75 15.039 5.310 -2.250 528 HB2 GLU 75 2HB GLU 75 14.989 6.465 0.542 529 HB3 GLU 75 1HB GLU 75 15.763 4.987 0.020 530 HG2 GLU 75 2HG GLU 75 16.528 7.769 -0.816 531 HG3 GLU 75 1HG GLU 75 17.391 6.741 0.327 532 H SER 76 H SER 76 12.097 6.641 -1.807 533 HA SER 76 HA SER 76 10.880 4.894 0.059 534 HB2 SER 76 2HB SER 76 9.636 6.374 -2.274 535 HB3 SER 76 1HB SER 76 8.785 5.741 -0.866 536 HG SER 76 HG SER 76 10.644 7.193 0.133 537 H ASP 77 H ASP 77 10.675 2.742 -0.206 538 HA ASP 77 HA ASP 77 11.108 1.379 -2.628 539 HB2 ASP 77 2HB ASP 77 11.163 0.380 -0.260 540 HB3 ASP 77 1HB ASP 77 9.408 0.304 -0.359 541 H ILE 78 H ILE 78 8.193 2.458 -1.017 542 HA ILE 78 HA ILE 78 6.786 2.225 -3.587 543 HB ILE 78 HB ILE 78 5.569 2.479 -0.803 544 HG12 ILE 78 2HG1 ILE 78 6.400 0.231 -1.156 545 HG13 ILE 78 1HG1 ILE 78 4.640 0.217 -1.205 546 HG21 ILE 78 1HG2 ILE 78 3.386 2.199 -1.909 547 HG22 ILE 78 2HG2 ILE 78 4.191 2.210 -3.477 548 HG23 ILE 78 3HG2 ILE 78 4.224 3.650 -2.458 549 HD11 ILE 78 3HD1 ILE 78 6.509 0.086 -3.565 550 HD12 ILE 78 1HD1 ILE 78 4.747 0.118 -3.659 551 HD13 ILE 78 2HD1 ILE 78 5.566 -1.241 -2.890 552 H PHE 79 H PHE 79 6.888 4.080 -4.584 553 HA PHE 79 HA PHE 79 7.374 6.493 -3.054 554 HB2 PHE 79 2HB PHE 79 8.900 5.988 -4.900 555 HB3 PHE 79 1HB PHE 79 7.552 5.932 -6.022 556 HD1 PHE 79 2HD PHE 79 9.447 8.180 -3.770 557 HD2 PHE 79 1HD PHE 79 6.793 7.882 -7.085 558 HE1 PHE 79 2HE PHE 79 9.738 10.577 -4.218 559 HE2 PHE 79 1HE PHE 79 7.082 10.278 -7.534 560 HZ PHE 79 HZ PHE 79 8.555 11.629 -6.100 561 H LEU 80 H LEU 80 5.903 7.976 -2.747 562 HA LEU 80 HA LEU 80 3.466 8.117 -4.448 563 HB2 LEU 80 2HB LEU 80 3.737 8.909 -1.523 564 HB3 LEU 80 1HB LEU 80 2.292 8.954 -2.487 565 HG LEU 80 HG LEU 80 1.970 7.233 -1.006 566 HD11 LEU 80 1HD1 LEU 80 1.862 5.167 -2.240 567 HD12 LEU 80 2HD1 LEU 80 2.930 5.847 -3.461 568 HD13 LEU 80 3HD1 LEU 80 1.326 6.552 -3.200 569 HD21 LEU 80 3HD2 LEU 80 4.742 6.185 -1.556 570 HD22 LEU 80 1HD2 LEU 80 3.553 5.405 -0.515 571 HD23 LEU 80 2HD2 LEU 80 4.193 6.994 -0.089 572 H ASP 81 H ASP 81 3.385 10.128 -5.405 573 HA ASP 81 HA ASP 81 5.236 12.145 -4.326 574 HB2 ASP 81 2HB ASP 81 5.522 11.684 -6.727 575 HB3 ASP 81 1HB ASP 81 3.834 12.081 -7.016 576 H ASP 82 H ASP 82 4.427 13.620 -3.032 577 HA ASP 82 HA ASP 82 1.656 14.480 -3.441 578 HB2 ASP 82 2HB ASP 82 2.076 12.902 -1.387 579 HB3 ASP 82 1HB ASP 82 2.941 14.263 -0.693 580 H VAL 83 H VAL 83 1.914 16.446 -1.313 581 HA VAL 83 HA VAL 83 3.072 18.513 -2.931 582 HB VAL 83 HB VAL 83 1.789 18.672 -0.186 583 HG11 VAL 83 1HG1 VAL 83 3.142 20.645 -0.628 584 HG12 VAL 83 2HG1 VAL 83 1.425 21.045 -0.686 585 HG13 VAL 83 3HG1 VAL 83 2.340 20.863 -2.182 586 HG21 VAL 83 3HG2 VAL 83 0.269 17.757 -1.851 587 HG22 VAL 83 1HG2 VAL 83 0.598 19.120 -2.919 588 HG23 VAL 83 2HG2 VAL 83 -0.225 19.383 -1.378 589 H THR 84 H THR 84 4.185 16.720 -0.115 590 HA THR 84 HA THR 84 6.546 18.423 -0.096 591 HB THR 84 HB THR 84 4.997 17.746 2.421 592 HG1 THR 84 1HG THR 84 4.869 19.757 0.606 593 HG21 THR 84 3HG2 THR 84 7.449 17.996 2.789 594 HG22 THR 84 1HG2 THR 84 6.539 19.313 3.532 595 HG23 THR 84 2HG2 THR 84 7.382 19.574 2.008 596 H VAL 85 H VAL 85 8.432 17.444 0.671 597 HA VAL 85 HA VAL 85 8.651 14.620 0.354 598 HB VAL 85 HB VAL 85 10.709 16.703 1.205 599 HG11 VAL 85 1HG1 VAL 85 12.432 15.076 0.600 600 HG12 VAL 85 2HG1 VAL 85 11.183 13.872 0.277 601 HG13 VAL 85 3HG1 VAL 85 11.421 14.475 1.917 602 HG21 VAL 85 3HG2 VAL 85 11.518 16.564 -1.078 603 HG22 VAL 85 1HG2 VAL 85 9.836 17.080 -1.027 604 HG23 VAL 85 2HG2 VAL 85 10.235 15.420 -1.474 605 H SER 86 H SER 86 9.316 13.121 1.914 606 HA SER 86 HA SER 86 9.380 13.881 4.707 607 HB2 SER 86 2HB SER 86 7.966 11.631 4.923 608 HB3 SER 86 1HB SER 86 7.158 13.190 4.788 609 HG SER 86 HG SER 86 7.107 12.827 2.526 610 H ARG 87 H ARG 87 11.344 13.150 5.257 611 HA ARG 87 HA ARG 87 12.857 11.341 3.812 612 HB2 ARG 87 2HB ARG 87 14.409 11.201 5.655 613 HB3 ARG 87 1HB ARG 87 13.858 12.852 5.472 614 HG2 ARG 87 2HG ARG 87 12.446 12.660 7.404 615 HG3 ARG 87 1HG ARG 87 12.793 10.931 7.537 616 HD2 ARG 87 2HD ARG 87 15.175 11.466 7.843 617 HD3 ARG 87 1HD ARG 87 14.787 13.176 7.783 618 HE ARG 87 HE ARG 87 13.283 12.479 9.789 619 HH11 ARG 87 1HH1 ARG 87 16.617 11.334 9.085 620 HH12 ARG 87 2HH1 ARG 87 17.026 11.155 10.704 621 HH21 ARG 87 1HH2 ARG 87 13.919 12.190 12.057 622 HH22 ARG 87 2HH2 ARG 87 15.483 11.632 12.420 623 H ARG 88 H ARG 88 10.429 10.586 6.162 624 HA ARG 88 HA ARG 88 10.363 7.871 5.423 625 HB2 ARG 88 2HB ARG 88 12.452 8.138 6.963 626 HB3 ARG 88 1HB ARG 88 11.296 8.363 8.254 627 HG2 ARG 88 2HG ARG 88 10.461 6.111 7.946 628 HG3 ARG 88 1HG ARG 88 11.495 5.900 6.530 629 HD2 ARG 88 2HD ARG 88 13.491 6.224 7.871 630 HD3 ARG 88 1HD ARG 88 12.514 6.522 9.296 631 HE ARG 88 HE ARG 88 11.745 4.060 8.784 632 HH11 ARG 88 1HH1 ARG 88 15.056 5.364 8.622 633 HH12 ARG 88 2HH1 ARG 88 15.789 3.876 8.991 634 HH21 ARG 88 1HH2 ARG 88 12.709 2.142 9.351 635 HH22 ARG 88 2HH2 ARG 88 14.410 1.950 9.451 636 H HIS 89 H HIS 89 8.146 8.130 5.251 637 HA HIS 89 HA HIS 89 6.634 9.546 7.291 638 HB2 HIS 89 2HB HIS 89 5.985 9.993 5.018 639 HB3 HIS 89 1HB HIS 89 5.958 8.295 4.616 640 HD2 HIS 89 2HD HIS 89 3.594 10.980 6.378 641 HE1 HIS 89 1HE HIS 89 1.377 7.565 5.213 642 HE2 HIS 89 2HE HIS 89 1.197 9.950 5.849 643 H ALA 90 H ALA 90 6.669 6.310 5.854 644 HA ALA 90 HA ALA 90 6.054 5.139 8.396 645 HB1 ALA 90 1HB ALA 90 3.819 5.695 7.558 646 HB2 ALA 90 2HB ALA 90 4.071 3.950 7.560 647 HB3 ALA 90 3HB ALA 90 4.165 4.852 6.048 648 H GLU 91 H GLU 91 6.258 2.839 8.251 649 HA GLU 91 HA GLU 91 7.401 1.881 5.777 650 HB2 GLU 91 2HB GLU 91 9.207 0.682 6.980 651 HB3 GLU 91 1HB GLU 91 9.364 2.421 7.093 652 HG2 GLU 91 2HG GLU 91 8.418 2.329 9.371 653 HG3 GLU 91 1HG GLU 91 8.347 0.573 9.242 654 H PHE 92 H PHE 92 7.058 -0.201 5.367 655 HA PHE 92 HA PHE 92 5.048 -1.502 7.072 656 HB2 PHE 92 2HB PHE 92 5.785 -2.123 4.193 657 HB3 PHE 92 1HB PHE 92 4.515 -2.871 5.120 658 HD1 PHE 92 2HD PHE 92 5.511 0.228 3.389 659 HD2 PHE 92 1HD PHE 92 2.407 -1.858 5.403 660 HE1 PHE 92 2HE PHE 92 3.868 1.865 2.554 661 HE2 PHE 92 1HE PHE 92 0.765 -0.227 4.572 662 HZ PHE 92 HZ PHE 92 1.500 1.637 3.148 663 H ARG 93 H ARG 93 5.706 -3.200 8.120 664 HA ARG 93 HA ARG 93 8.325 -4.342 7.396 665 HB2 ARG 93 2HB ARG 93 6.981 -4.449 10.107 666 HB3 ARG 93 1HB ARG 93 8.654 -4.816 9.718 667 HG2 ARG 93 2HG ARG 93 9.132 -2.496 9.307 668 HG3 ARG 93 1HG ARG 93 7.433 -2.077 9.484 669 HD2 ARG 93 2HD ARG 93 8.540 -1.494 11.512 670 HD3 ARG 93 1HD ARG 93 7.535 -2.901 11.825 671 HE ARG 93 HE ARG 93 10.396 -3.127 11.288 672 HH11 ARG 93 1HH1 ARG 93 7.562 -4.006 13.316 673 HH12 ARG 93 2HH1 ARG 93 8.509 -4.759 14.495 674 HH21 ARG 93 1HH2 ARG 93 11.648 -4.173 13.015 675 HH22 ARG 93 2HH2 ARG 93 10.804 -4.859 14.339 676 H ILE 94 H ILE 94 8.082 -6.335 6.580 677 HA ILE 94 HA ILE 94 5.719 -7.821 7.434 678 HB ILE 94 HB ILE 94 7.210 -8.189 4.803 679 HG12 ILE 94 2HG1 ILE 94 4.961 -7.458 3.781 680 HG13 ILE 94 1HG1 ILE 94 4.571 -6.812 5.364 681 HG21 ILE 94 1HG2 ILE 94 6.241 -10.251 5.629 682 HG22 ILE 94 2HG2 ILE 94 5.333 -9.691 4.222 683 HG23 ILE 94 3HG2 ILE 94 4.681 -9.461 5.840 684 HD11 ILE 94 3HD1 ILE 94 5.346 -5.063 3.883 685 HD12 ILE 94 1HD1 ILE 94 6.851 -5.937 3.599 686 HD13 ILE 94 2HD1 ILE 94 6.493 -5.296 5.203 687 H ASN 95 H ASN 95 6.339 -9.288 8.805 688 HA ASN 95 HA ASN 95 8.874 -10.667 8.341 689 HB2 ASN 95 2HB ASN 95 7.944 -9.669 11.056 690 HB3 ASN 95 1HB ASN 95 9.375 -10.626 10.758 691 HD21 ASN 95 1HD2 ASN 95 10.109 -8.936 8.368 692 HD22 ASN 95 2HD2 ASN 95 10.689 -7.459 9.051 693 H GLU 96 H GLU 96 8.578 -12.773 8.454 694 HA GLU 96 HA GLU 96 7.651 -14.816 8.719 695 HB2 GLU 96 2HB GLU 96 6.712 -13.614 11.331 696 HB3 GLU 96 1HB GLU 96 6.813 -15.335 10.990 697 HG2 GLU 96 2HG GLU 96 9.262 -15.069 10.651 698 HG3 GLU 96 1HG GLU 96 9.103 -13.384 11.140 699 H GLY 97 H GLY 97 6.096 -13.056 7.193 700 HA2 GLY 97 2HA GLY 97 4.088 -13.331 6.046 701 HA3 GLY 97 1HA GLY 97 3.584 -14.477 7.274 702 H GLU 98 H GLU 98 4.532 -11.769 8.947 703 HA GLU 98 HA GLU 98 1.794 -10.819 9.098 704 HB2 GLU 98 2HB GLU 98 4.208 -10.347 10.816 705 HB3 GLU 98 1HB GLU 98 2.567 -9.809 11.163 706 HG2 GLU 98 2HG GLU 98 3.381 -12.660 10.823 707 HG3 GLU 98 1HG GLU 98 3.271 -11.828 12.370 708 H PHE 99 H PHE 99 1.291 -8.859 8.449 709 HA PHE 99 HA PHE 99 3.380 -7.163 7.274 710 HB2 PHE 99 2HB PHE 99 0.383 -7.074 6.811 711 HB3 PHE 99 1HB PHE 99 1.625 -6.268 5.877 712 HD1 PHE 99 1HD PHE 99 -0.034 -9.471 6.559 713 HD2 PHE 99 2HD PHE 99 2.825 -7.445 4.145 714 HE1 PHE 99 1HE PHE 99 -0.045 -11.353 4.979 715 HE2 PHE 99 2HE PHE 99 2.826 -9.334 2.564 716 HZ PHE 99 HZ PHE 99 1.388 -11.285 2.980 717 H GLU 100 H GLU 100 3.815 -5.421 8.636 718 HA GLU 100 HA GLU 100 1.510 -4.308 10.063 719 HB2 GLU 100 2HB GLU 100 2.966 -3.785 11.986 720 HB3 GLU 100 1HB GLU 100 2.856 -5.514 11.694 721 HG2 GLU 100 2HG GLU 100 5.028 -5.412 10.529 722 HG3 GLU 100 1HG GLU 100 5.135 -3.707 10.957 723 H VAL 101 H VAL 101 1.407 -2.109 10.222 724 HA VAL 101 HA VAL 101 3.244 -0.650 8.433 725 HB VAL 101 HB VAL 101 0.546 0.253 9.468 726 HG11 VAL 101 1HG1 VAL 101 0.629 1.874 7.632 727 HG12 VAL 101 2HG1 VAL 101 2.232 1.280 7.197 728 HG13 VAL 101 3HG1 VAL 101 1.976 2.063 8.755 729 HG21 VAL 101 3HG2 VAL 101 1.131 -1.021 6.805 730 HG22 VAL 101 1HG2 VAL 101 -0.413 -0.326 7.297 731 HG23 VAL 101 2HG2 VAL 101 0.222 -1.750 8.129 732 H VAL 102 H VAL 102 4.660 0.628 9.513 733 HA VAL 102 HA VAL 102 3.777 1.644 12.118 734 HB VAL 102 HB VAL 102 6.631 1.084 11.241 735 HG11 VAL 102 1HG1 VAL 102 5.560 2.018 13.903 736 HG12 VAL 102 2HG1 VAL 102 6.488 2.986 12.760 737 HG13 VAL 102 3HG1 VAL 102 7.240 1.604 13.559 738 HG21 VAL 102 3HG2 VAL 102 4.913 -0.374 13.257 739 HG22 VAL 102 1HG2 VAL 102 6.619 -0.692 12.941 740 HG23 VAL 102 2HG2 VAL 102 5.420 -0.991 11.685 741 H ASP 103 H ASP 103 3.376 3.700 12.017 742 HA ASP 103 HA ASP 103 4.474 5.449 10.011 743 HB2 ASP 103 2HB ASP 103 2.257 5.993 10.636 744 HB3 ASP 103 1HB ASP 103 2.606 5.787 12.347 745 H VAL 104 H VAL 104 6.172 6.695 10.265 746 HA VAL 104 HA VAL 104 7.244 6.950 12.972 747 HB VAL 104 HB VAL 104 9.563 6.899 12.064 748 HG11 VAL 104 1HG1 VAL 104 7.943 4.440 11.409 749 HG12 VAL 104 2HG1 VAL 104 8.592 4.850 12.992 750 HG13 VAL 104 3HG1 VAL 104 9.687 4.483 11.658 751 HG21 VAL 104 3HG2 VAL 104 9.109 7.572 9.780 752 HG22 VAL 104 1HG2 VAL 104 8.217 6.071 9.500 753 HG23 VAL 104 2HG2 VAL 104 9.948 6.018 9.835 754 H GLY 105 H GLY 105 6.184 8.502 10.164 755 HA2 GLY 105 2HA GLY 105 6.914 11.038 11.276 756 HA3 GLY 105 1HA GLY 105 7.646 10.655 9.729 757 H SER 106 H SER 106 4.624 11.138 11.409 758 HA SER 106 HA SER 106 3.000 11.113 9.103 759 HB2 SER 106 2HB SER 106 2.519 12.455 11.780 760 HB3 SER 106 1HB SER 106 1.307 12.210 10.533 761 HG SER 106 HG SER 106 2.482 9.842 11.110 762 H LEU 107 H LEU 107 4.350 12.399 7.739 763 HA LEU 107 HA LEU 107 4.597 15.243 8.094 764 HB2 LEU 107 2HB LEU 107 6.034 14.037 6.560 765 HB3 LEU 107 1HB LEU 107 4.646 13.467 5.652 766 HG LEU 107 HG LEU 107 4.195 15.998 5.315 767 HD11 LEU 107 1HD1 LEU 107 7.136 16.038 5.845 768 HD12 LEU 107 2HD1 LEU 107 5.875 16.865 6.757 769 HD13 LEU 107 3HD1 LEU 107 6.214 17.338 5.091 770 HD21 LEU 107 3HD2 LEU 107 6.385 14.612 3.791 771 HD22 LEU 107 1HD2 LEU 107 5.409 15.956 3.230 772 HD23 LEU 107 2HD2 LEU 107 4.655 14.389 3.531 773 H ASN 108 H ASN 108 2.607 13.077 6.284 774 HA ASN 108 HA ASN 108 0.763 15.209 5.512 775 HB2 ASN 108 2HB ASN 108 1.872 13.803 3.791 776 HB3 ASN 108 1HB ASN 108 1.108 12.388 4.490 777 HD21 ASN 108 1HD2 ASN 108 0.721 15.121 2.419 778 HD22 ASN 108 2HD2 ASN 108 -0.868 14.722 1.915 779 H GLY 109 H GLY 109 1.079 12.453 7.546 780 HA2 GLY 109 2HA GLY 109 -0.486 12.074 9.330 781 HA3 GLY 109 1HA GLY 109 -1.763 12.663 8.273 782 H THR 110 H THR 110 -0.161 9.929 9.453 783 HA THR 110 HA THR 110 -1.033 8.175 7.357 784 HB THR 110 HB THR 110 0.120 7.505 10.074 785 HG1 THR 110 1HG THR 110 2.053 8.085 9.270 786 HG21 THR 110 3HG2 THR 110 0.165 6.045 7.411 787 HG22 THR 110 1HG2 THR 110 -0.830 5.602 8.797 788 HG23 THR 110 2HG2 THR 110 0.927 5.483 8.898 789 H TYR 111 H TYR 111 -2.960 7.111 7.309 790 HA TYR 111 HA TYR 111 -4.529 6.719 9.777 791 HB2 TYR 111 2HB TYR 111 -5.336 7.651 7.070 792 HB3 TYR 111 1HB TYR 111 -6.469 6.648 7.966 793 HD1 TYR 111 2HD TYR 111 -4.582 8.856 10.103 794 HD2 TYR 111 1HD TYR 111 -7.907 8.671 7.461 795 HE1 TYR 111 2HE TYR 111 -5.513 10.890 11.122 796 HE2 TYR 111 1HE TYR 111 -8.839 10.692 8.472 797 HH TYR 111 HH TYR 111 -7.061 12.664 10.627 798 H VAL 112 H VAL 112 -5.144 4.651 10.083 799 HA VAL 112 HA VAL 112 -4.760 2.729 7.879 800 HB VAL 112 HB VAL 112 -4.299 2.204 10.855 801 HG11 VAL 112 1HG1 VAL 112 -3.777 0.437 8.483 802 HG12 VAL 112 2HG1 VAL 112 -5.051 0.229 9.682 803 HG13 VAL 112 3HG1 VAL 112 -3.359 0.067 10.155 804 HG21 VAL 112 3HG2 VAL 112 -2.245 2.493 8.658 805 HG22 VAL 112 1HG2 VAL 112 -1.906 2.013 10.321 806 HG23 VAL 112 2HG2 VAL 112 -2.523 3.629 9.977 807 H ASN 113 H ASN 113 -6.549 1.475 7.469 808 HA ASN 113 HA ASN 113 -8.736 1.075 7.257 809 HB2 ASN 113 2HB ASN 113 -8.670 1.011 10.303 810 HB3 ASN 113 1HB ASN 113 -10.018 0.453 9.317 811 HD21 ASN 113 1HD2 ASN 113 -6.853 -0.201 10.455 812 HD22 ASN 113 2HD2 ASN 113 -6.669 -1.743 9.694 813 H ARG 114 H ARG 114 -7.931 3.701 7.117 814 HA ARG 114 HA ARG 114 -8.395 5.750 7.198 815 HB2 ARG 114 2HB ARG 114 -10.100 5.030 5.680 816 HB3 ARG 114 1HB ARG 114 -11.196 4.639 6.997 817 HG2 ARG 114 2HG ARG 114 -11.400 6.763 7.589 818 HG3 ARG 114 1HG ARG 114 -10.151 7.381 6.533 819 HD2 ARG 114 2HD ARG 114 -12.420 7.851 5.600 820 HD3 ARG 114 1HD ARG 114 -11.415 6.876 4.547 821 HE ARG 114 HE ARG 114 -13.187 5.366 6.228 822 HH11 ARG 114 1HH1 ARG 114 -12.758 7.043 3.125 823 HH12 ARG 114 2HH1 ARG 114 -14.025 6.231 2.347 824 HH21 ARG 114 1HH2 ARG 114 -14.898 4.132 5.043 825 HH22 ARG 114 2HH2 ARG 114 -15.220 4.548 3.446 826 H GLU 115 H GLU 115 -8.322 4.348 9.852 827 HA GLU 115 HA GLU 115 -9.504 6.481 11.464 828 HB2 GLU 115 2HB GLU 115 -8.545 3.706 12.220 829 HB3 GLU 115 1HB GLU 115 -9.182 4.886 13.357 830 HG2 GLU 115 2HG GLU 115 -11.353 4.785 12.196 831 HG3 GLU 115 1HG GLU 115 -10.693 3.577 11.096 832 HA PRO 116 HA PRO 116 -5.333 7.927 12.154 833 HB2 PRO 116 2HB PRO 116 -5.536 8.711 14.802 834 HB3 PRO 116 1HB PRO 116 -6.034 9.708 13.431 835 HG2 PRO 116 2HG PRO 116 -7.682 8.015 15.250 836 HG3 PRO 116 1HG PRO 116 -8.057 9.591 14.529 837 HD2 PRO 116 2HD PRO 116 -9.103 7.286 13.576 838 HD3 PRO 116 1HD PRO 116 -8.713 8.651 12.513 839 H ARG 117 H ARG 117 -3.634 6.664 12.479 840 HA ARG 117 HA ARG 117 -3.339 5.016 14.795 841 HB2 ARG 117 2HB ARG 117 -4.927 3.749 13.373 842 HB3 ARG 117 1HB ARG 117 -3.774 3.817 12.058 843 HG2 ARG 117 2HG ARG 117 -3.765 1.650 13.099 844 HG3 ARG 117 1HG ARG 117 -2.215 2.451 13.366 845 HD2 ARG 117 2HD ARG 117 -3.002 1.304 15.379 846 HD3 ARG 117 1HD ARG 117 -2.899 3.042 15.620 847 HE ARG 117 HE ARG 117 -5.481 2.608 14.868 848 HH11 ARG 117 1HH1 ARG 117 -3.456 1.136 17.371 849 HH12 ARG 117 2HH1 ARG 117 -4.660 1.178 18.568 850 HH21 ARG 117 1HH2 ARG 117 -7.171 2.611 16.546 851 HH22 ARG 117 2HH2 ARG 117 -6.807 1.990 18.087 852 H ASN 118 H ASN 118 -1.162 4.690 15.046 853 HA ASN 118 HA ASN 118 0.508 5.679 12.872 854 HB2 ASN 118 2HB ASN 118 1.168 5.353 15.814 855 HB3 ASN 118 1HB ASN 118 2.331 5.858 14.596 856 HD21 ASN 118 1HD2 ASN 118 2.191 7.976 13.737 857 HD22 ASN 118 2HD2 ASN 118 1.190 9.165 14.452 858 H ALA 119 H ALA 119 0.467 3.022 15.270 859 HA ALA 119 HA ALA 119 1.839 1.455 13.198 860 HB1 ALA 119 1HB ALA 119 2.872 0.158 15.010 861 HB2 ALA 119 2HB ALA 119 2.100 1.210 16.199 862 HB3 ALA 119 3HB ALA 119 3.320 1.863 15.105 863 H GLN 120 H GLN 120 0.875 -0.400 12.656 864 HA GLN 120 HA GLN 120 -1.153 -1.588 14.348 865 HB2 GLN 120 2HB GLN 120 -2.357 0.184 13.173 866 HB3 GLN 120 1HB GLN 120 -1.805 -0.446 11.631 867 HG2 GLN 120 2HG GLN 120 -4.116 -1.050 12.041 868 HG3 GLN 120 1HG GLN 120 -3.099 -2.488 12.010 869 HE21 GLN 120 1HE2 GLN 120 -4.630 -3.630 13.136 870 HE22 GLN 120 2HE2 GLN 120 -4.884 -3.418 14.840 871 H VAL 121 H VAL 121 -1.247 -3.782 13.986 872 HA VAL 121 HA VAL 121 0.272 -4.936 11.848 873 HB VAL 121 HB VAL 121 -1.772 -6.222 13.728 874 HG11 VAL 121 1HG1 VAL 121 -1.494 -7.511 11.658 875 HG12 VAL 121 2HG1 VAL 121 -0.788 -8.364 13.031 876 HG13 VAL 121 3HG1 VAL 121 0.254 -7.517 11.890 877 HG21 VAL 121 3HG2 VAL 121 1.240 -6.253 13.811 878 HG22 VAL 121 1HG2 VAL 121 0.169 -7.106 14.920 879 HG23 VAL 121 2HG2 VAL 121 0.196 -5.341 14.894 880 H MET 122 H MET 122 -0.488 -5.355 9.874 881 HA MET 122 HA MET 122 -3.041 -4.136 9.270 882 HB2 MET 122 2HB MET 122 -1.055 -3.318 8.170 883 HB3 MET 122 1HB MET 122 -0.686 -4.925 7.578 884 HG2 MET 122 2HG MET 122 -2.520 -4.857 6.062 885 HG3 MET 122 1HG MET 122 -3.127 -3.367 6.786 886 HE1 MET 122 3HE MET 122 0.023 -4.918 4.935 887 HE2 MET 122 1HE MET 122 0.729 -3.978 6.248 888 HE3 MET 122 2HE MET 122 0.940 -3.459 4.575 889 H GLN 123 H GLN 123 -4.621 -5.079 8.154 890 HA GLN 123 HA GLN 123 -4.676 -8.023 8.076 891 HB2 GLN 123 2HB GLN 123 -7.139 -7.706 8.423 892 HB3 GLN 123 1HB GLN 123 -6.145 -7.195 9.784 893 HG2 GLN 123 2HG GLN 123 -6.350 -4.862 9.073 894 HG3 GLN 123 1HG GLN 123 -7.295 -5.374 7.685 895 HE21 GLN 123 1HE2 GLN 123 -8.939 -3.988 8.391 896 HE22 GLN 123 2HE2 GLN 123 -9.978 -4.417 9.689 897 H THR 124 H THR 124 -5.948 -8.920 6.307 898 HA THR 124 HA THR 124 -5.853 -7.343 3.935 899 HB THR 124 HB THR 124 -5.648 -9.795 3.734 900 HG1 THR 124 1HG THR 124 -8.103 -9.008 2.552 901 HG21 THR 124 3HG2 THR 124 -7.596 -11.263 4.078 902 HG22 THR 124 1HG2 THR 124 -8.505 -9.893 4.713 903 HG23 THR 124 2HG2 THR 124 -7.086 -10.490 5.579 904 H GLY 125 H GLY 125 -7.402 -6.039 3.084 905 HA2 GLY 125 2HA GLY 125 -9.622 -5.270 2.867 906 HA3 GLY 125 1HA GLY 125 -10.017 -6.044 4.400 907 H ASP 126 H ASP 126 -7.055 -4.711 4.799 908 HA ASP 126 HA ASP 126 -8.034 -2.553 6.430 909 HB2 ASP 126 2HB ASP 126 -5.872 -4.041 6.697 910 HB3 ASP 126 1HB ASP 126 -5.178 -2.903 5.555 911 H GLU 127 H GLU 127 -8.001 -0.407 5.852 912 HA GLU 127 HA GLU 127 -7.089 0.154 3.128 913 HB2 GLU 127 2HB GLU 127 -9.000 1.864 3.042 914 HB3 GLU 127 1HB GLU 127 -9.419 0.159 2.989 915 HG2 GLU 127 2HG GLU 127 -9.963 0.271 5.425 916 HG3 GLU 127 1HG GLU 127 -9.721 2.017 5.345 917 H ILE 128 H ILE 128 -5.660 1.703 2.967 918 HA ILE 128 HA ILE 128 -4.992 3.147 5.448 919 HB ILE 128 HB ILE 128 -3.126 2.536 3.122 920 HG12 ILE 128 2HG1 ILE 128 -3.393 1.061 5.757 921 HG13 ILE 128 1HG1 ILE 128 -3.930 0.446 4.201 922 HG21 ILE 128 1HG2 ILE 128 -1.363 3.091 4.735 923 HG22 ILE 128 2HG2 ILE 128 -2.583 3.405 5.969 924 HG23 ILE 128 3HG2 ILE 128 -2.486 4.440 4.548 925 HD11 ILE 128 3HD1 ILE 128 -1.093 1.072 4.980 926 HD12 ILE 128 1HD1 ILE 128 -1.618 0.463 3.408 927 HD13 ILE 128 2HD1 ILE 128 -1.812 -0.535 4.852 928 H GLN 129 H GLN 129 -4.924 5.269 5.372 929 HA GLN 129 HA GLN 129 -5.579 6.589 2.827 930 HB2 GLN 129 2HB GLN 129 -7.464 6.614 4.297 931 HB3 GLN 129 1HB GLN 129 -6.505 7.128 5.661 932 HG2 GLN 129 2HG GLN 129 -7.687 9.019 5.005 933 HG3 GLN 129 1HG GLN 129 -6.083 9.252 4.328 934 HE21 GLN 129 1HE2 GLN 129 -8.555 10.428 3.587 935 HE22 GLN 129 2HE2 GLN 129 -8.858 10.078 1.946 936 H ILE 130 H ILE 130 -3.918 7.840 2.143 937 HA ILE 130 HA ILE 130 -2.366 9.307 4.165 938 HB ILE 130 HB ILE 130 -1.202 8.332 1.525 939 HG12 ILE 130 2HG1 ILE 130 0.375 6.944 3.084 940 HG13 ILE 130 1HG1 ILE 130 -0.932 7.082 4.253 941 HG21 ILE 130 1HG2 ILE 130 -0.210 10.369 2.298 942 HG22 ILE 130 2HG2 ILE 130 0.954 9.053 2.432 943 HG23 ILE 130 3HG2 ILE 130 0.131 9.648 3.872 944 HD11 ILE 130 3HD1 ILE 130 -1.145 5.866 1.507 945 HD12 ILE 130 1HD1 ILE 130 -2.442 5.969 2.697 946 HD13 ILE 130 2HD1 ILE 130 -1.016 4.979 3.023 947 H GLY 131 H GLY 131 -3.124 11.255 3.885 948 HA2 GLY 131 2HA GLY 131 -4.185 13.118 2.895 949 HA3 GLY 131 1HA GLY 131 -2.866 12.941 1.762 950 H LYS 132 H LYS 132 -3.273 12.399 -0.239 951 HA LYS 132 HA LYS 132 -6.052 11.932 -0.989 952 HB2 LYS 132 2HB LYS 132 -5.230 12.840 -3.274 953 HB3 LYS 132 1HB LYS 132 -5.545 13.954 -1.952 954 HG2 LYS 132 2HG LYS 132 -3.076 13.819 -1.434 955 HG3 LYS 132 1HG LYS 132 -2.896 13.015 -2.996 956 HD2 LYS 132 2HD LYS 132 -3.654 14.903 -4.170 957 HD3 LYS 132 1HD LYS 132 -4.309 15.650 -2.707 958 HE2 LYS 132 2HE LYS 132 -1.399 15.231 -3.378 959 HE3 LYS 132 1HE LYS 132 -2.266 16.766 -3.316 960 HZ1 LYS 132 3HZ LYS 132 -2.723 16.123 -0.866 961 HZ2 LYS 132 1HZ LYS 132 -1.133 16.588 -1.253 962 HZ3 LYS 132 2HZ LYS 132 -1.459 14.997 -1.118 963 H PHE 133 H PHE 133 -3.397 10.249 -0.552 964 HA PHE 133 HA PHE 133 -3.799 8.435 -2.805 965 HB2 PHE 133 2HB PHE 133 -1.806 8.438 -0.525 966 HB3 PHE 133 1HB PHE 133 -1.931 7.156 -1.716 967 HD1 PHE 133 1HD PHE 133 -1.021 10.672 -1.165 968 HD2 PHE 133 2HD PHE 133 -0.975 7.380 -3.853 969 HE1 PHE 133 1HE PHE 133 0.595 11.854 -2.585 970 HE2 PHE 133 2HE PHE 133 0.638 8.553 -5.277 971 HZ PHE 133 HZ PHE 133 1.426 10.794 -4.641 972 H ARG 134 H ARG 134 -4.858 6.568 -2.477 973 HA ARG 134 HA ARG 134 -5.509 5.896 0.301 974 HB2 ARG 134 2HB ARG 134 -7.386 7.043 -1.109 975 HB3 ARG 134 1HB ARG 134 -7.505 5.474 -1.896 976 HG2 ARG 134 2HG ARG 134 -7.932 4.416 0.239 977 HG3 ARG 134 1HG ARG 134 -7.778 5.974 1.050 978 HD2 ARG 134 2HD ARG 134 -9.654 6.769 -0.461 979 HD3 ARG 134 1HD ARG 134 -9.903 5.067 -0.864 980 HE ARG 134 HE ARG 134 -10.445 6.413 1.624 981 HH11 ARG 134 1HH1 ARG 134 -10.309 3.263 -0.056 982 HH12 ARG 134 2HH1 ARG 134 -11.045 2.417 1.207 983 HH21 ARG 134 1HH2 ARG 134 -11.404 5.246 3.296 984 HH22 ARG 134 2HH2 ARG 134 -11.664 3.569 3.240 985 H LEU 135 H LEU 135 -4.859 3.911 0.719 986 HA LEU 135 HA LEU 135 -4.296 2.128 -1.558 987 HB2 LEU 135 2HB LEU 135 -3.121 2.048 1.218 988 HB3 LEU 135 1HB LEU 135 -2.662 1.053 -0.139 989 HG LEU 135 HG LEU 135 -2.251 4.018 0.053 990 HD11 LEU 135 1HD1 LEU 135 0.135 3.441 0.290 991 HD12 LEU 135 2HD1 LEU 135 -0.291 1.730 0.317 992 HD13 LEU 135 3HD1 LEU 135 -0.830 2.794 1.617 993 HD21 LEU 135 3HD2 LEU 135 -1.329 2.018 -2.004 994 HD22 LEU 135 1HD2 LEU 135 -0.827 3.708 -1.929 995 HD23 LEU 135 2HD2 LEU 135 -2.514 3.308 -2.235 996 H VAL 136 H VAL 136 -5.242 0.217 -1.562 997 HA VAL 136 HA VAL 136 -6.756 -0.592 0.832 998 HB VAL 136 HB VAL 136 -7.334 -1.337 -2.070 999 HG11 VAL 136 1HG1 VAL 136 -8.908 -1.918 0.435 1000 HG12 VAL 136 2HG1 VAL 136 -7.958 -3.081 -0.485 1001 HG13 VAL 136 3HG1 VAL 136 -9.389 -2.344 -1.210 1002 HG21 VAL 136 3HG2 VAL 136 -7.891 1.006 -1.630 1003 HG22 VAL 136 1HG2 VAL 136 -8.858 0.522 -0.238 1004 HG23 VAL 136 2HG2 VAL 136 -9.352 0.043 -1.861 1005 H PHE 137 H PHE 137 -5.902 -2.329 1.800 1006 HA PHE 137 HA PHE 137 -3.874 -3.856 0.360 1007 HB2 PHE 137 2HB PHE 137 -3.198 -2.800 2.449 1008 HB3 PHE 137 1HB PHE 137 -4.522 -3.580 3.296 1009 HD1 PHE 137 2HD PHE 137 -1.300 -4.176 1.590 1010 HD2 PHE 137 1HD PHE 137 -4.291 -5.740 4.160 1011 HE1 PHE 137 2HE PHE 137 0.194 -6.026 2.213 1012 HE2 PHE 137 1HE PHE 137 -2.808 -7.588 4.782 1013 HZ PHE 137 HZ PHE 137 -0.559 -7.726 3.812 1014 H LEU 138 H LEU 138 -4.457 -5.762 -0.446 1015 HA LEU 138 HA LEU 138 -6.494 -7.330 0.955 1016 HB2 LEU 138 2HB LEU 138 -6.440 -6.697 -1.986 1017 HB3 LEU 138 1HB LEU 138 -7.363 -8.019 -1.312 1018 HG LEU 138 HG LEU 138 -7.783 -5.108 -0.617 1019 HD11 LEU 138 1HD1 LEU 138 -8.354 -5.559 -2.954 1020 HD12 LEU 138 2HD1 LEU 138 -9.805 -5.282 -1.993 1021 HD13 LEU 138 3HD1 LEU 138 -9.351 -6.923 -2.455 1022 HD21 LEU 138 3HD2 LEU 138 -9.373 -7.596 0.019 1023 HD22 LEU 138 1HD2 LEU 138 -9.896 -5.943 0.348 1024 HD23 LEU 138 2HD2 LEU 138 -8.480 -6.594 1.166 1025 H ALA 139 H ALA 139 -6.168 -9.465 0.932 1026 HA ALA 139 HA ALA 139 -3.755 -10.460 -0.364 1027 HB1 ALA 139 1HB ALA 139 -5.676 -11.780 1.569 1028 HB2 ALA 139 2HB ALA 139 -4.130 -11.054 1.998 1029 HB3 ALA 139 3HB ALA 139 -4.174 -12.488 0.969 1030 H GLY 140 H GLY 140 -3.999 -11.380 -2.345 1031 HA2 GLY 140 2HA GLY 140 -6.674 -12.385 -2.913 1032 HA3 GLY 140 1HA GLY 140 -5.832 -11.353 -4.054 1033 HA PRO 141 HA PRO 141 -4.613 -15.944 -4.631 1034 HB2 PRO 141 2HB PRO 141 -6.754 -16.222 -6.574 1035 HB3 PRO 141 1HB PRO 141 -6.343 -17.267 -5.214 1036 HG2 PRO 141 2HG PRO 141 -8.595 -15.746 -5.217 1037 HG3 PRO 141 1HG PRO 141 -7.692 -16.103 -3.734 1038 HD2 PRO 141 2HD PRO 141 -7.652 -13.633 -5.426 1039 HD3 PRO 141 1HD PRO 141 -7.713 -13.800 -3.655 1040 H ALA 142 H ALA 142 -3.779 -16.763 -6.594 1041 HA ALA 142 HA ALA 142 -2.935 -16.811 -8.636 1042 HB1 ALA 142 1HB ALA 142 -4.238 -14.172 -9.304 1043 HB2 ALA 142 2HB ALA 142 -4.987 -15.748 -9.550 1044 HB3 ALA 142 3HB ALA 142 -3.525 -15.319 -10.439 1045 H GLU 143 H GLU 143 -1.218 -16.672 -7.233 1046 HA GLU 143 HA GLU 143 0.609 -14.599 -8.134 1047 HB2 GLU 143 2HB GLU 143 -0.440 -14.203 -5.702 1048 HB3 GLU 143 1HB GLU 143 0.694 -15.455 -5.246 1049 HG2 GLU 143 2HG GLU 143 1.391 -12.776 -6.468 1050 HG3 GLU 143 1HG GLU 143 1.578 -13.230 -4.786 Start of MODEL 23 1 H1 MET 1 1HT MET 1 20.244 -9.461 11.287 2 H2 MET 1 2HT MET 1 21.000 -10.925 11.678 3 H3 MET 1 3HT MET 1 21.750 -9.457 12.006 4 HA MET 1 HA MET 1 19.251 -10.328 13.287 5 HB2 MET 1 2HB MET 1 22.083 -10.130 14.316 6 HB3 MET 1 1HB MET 1 20.694 -10.298 15.363 7 HG2 MET 1 2HG MET 1 20.214 -12.463 14.273 8 HG3 MET 1 1HG MET 1 21.711 -12.301 13.352 9 HE1 MET 1 2HE MET 1 23.524 -10.836 15.693 10 HE2 MET 1 3HE MET 1 24.129 -12.057 14.574 11 HE3 MET 1 1HE MET 1 24.364 -12.254 16.310 12 H SER 2 H SER 2 18.962 -8.906 15.278 13 HA SER 2 HA SER 2 19.255 -6.141 14.551 14 HB2 SER 2 2HB SER 2 18.125 -7.426 17.066 15 HB3 SER 2 1HB SER 2 17.815 -5.793 16.473 16 HG SER 2 HG SER 2 16.109 -6.875 15.811 17 H ASP 3 H ASP 3 21.129 -5.107 15.119 18 HA ASP 3 HA ASP 3 22.858 -6.454 17.039 19 HB2 ASP 3 2HB ASP 3 24.707 -5.284 16.006 20 HB3 ASP 3 1HB ASP 3 23.759 -6.084 14.763 21 H ASN 4 H ASN 4 24.245 -5.038 18.346 22 HA ASN 4 HA ASN 4 22.650 -3.460 20.018 23 HB2 ASN 4 2HB ASN 4 24.655 -4.686 20.779 24 HB3 ASN 4 1HB ASN 4 25.673 -3.578 19.867 25 HD21 ASN 4 1HD2 ASN 4 26.006 -1.479 20.677 26 HD22 ASN 4 2HD2 ASN 4 25.565 -1.057 22.286 27 H ASN 5 H ASN 5 22.066 -1.423 19.882 28 HA ASN 5 HA ASN 5 23.467 0.288 18.001 29 HB2 ASN 5 2HB ASN 5 21.434 1.744 18.008 30 HB3 ASN 5 1HB ASN 5 21.115 0.120 17.428 31 HD21 ASN 5 1HD2 ASN 5 19.415 2.264 18.612 32 HD22 ASN 5 2HD2 ASN 5 18.539 1.509 19.877 33 H GLY 6 H GLY 6 25.134 0.938 19.218 34 HA2 GLY 6 2HA GLY 6 24.608 2.252 21.750 35 HA3 GLY 6 1HA GLY 6 26.186 1.983 21.017 36 H THR 7 H THR 7 25.848 3.082 18.535 37 HA THR 7 HA THR 7 25.576 5.897 19.255 38 HB THR 7 HB THR 7 27.069 4.665 16.917 39 HG1 THR 7 1HG THR 7 27.836 4.306 19.141 40 HG21 THR 7 3HG2 THR 7 28.095 6.889 16.694 41 HG22 THR 7 1HG2 THR 7 27.099 7.491 18.018 42 HG23 THR 7 2HG2 THR 7 26.344 6.991 16.508 43 HA PRO 8 HA PRO 8 22.055 5.719 16.355 44 HB2 PRO 8 2HB PRO 8 21.024 8.137 17.120 45 HB3 PRO 8 1HB PRO 8 20.649 6.641 17.978 46 HG2 PRO 8 2HG PRO 8 22.545 8.816 18.702 47 HG3 PRO 8 1HG PRO 8 21.526 7.818 19.752 48 HD2 PRO 8 2HD PRO 8 24.214 7.422 19.386 49 HD3 PRO 8 1HD PRO 8 23.088 6.143 19.867 50 H GLU 9 H GLU 9 22.035 6.727 14.344 51 HA GLU 9 HA GLU 9 24.394 8.261 13.819 52 HB2 GLU 9 2HB GLU 9 22.200 7.374 11.942 53 HB3 GLU 9 1HB GLU 9 23.720 8.116 11.459 54 HG2 GLU 9 2HG GLU 9 24.926 6.222 12.489 55 HG3 GLU 9 1HG GLU 9 23.374 5.470 12.836 56 HA PRO 10 HA PRO 10 22.334 12.039 14.544 57 HB2 PRO 10 2HB PRO 10 24.290 13.727 13.759 58 HB3 PRO 10 1HB PRO 10 24.335 12.823 15.279 59 HG2 PRO 10 2HG PRO 10 25.670 12.201 12.672 60 HG3 PRO 10 1HG PRO 10 26.346 12.115 14.307 61 HD2 PRO 10 2HD PRO 10 25.445 9.937 12.980 62 HD3 PRO 10 1HD PRO 10 25.338 10.085 14.749 63 H GLN 11 H GLN 11 20.734 12.285 13.206 64 HA GLN 11 HA GLN 11 21.127 13.893 10.880 65 HB2 GLN 11 2HB GLN 11 21.301 11.573 9.944 66 HB3 GLN 11 1HB GLN 11 19.708 11.227 10.607 67 HG2 GLN 11 2HG GLN 11 18.751 13.007 9.213 68 HG3 GLN 11 1HG GLN 11 20.346 13.322 8.547 69 HE21 GLN 11 1HE2 GLN 11 17.574 11.255 8.503 70 HE22 GLN 11 2HE2 GLN 11 18.070 10.313 7.152 71 H VAL 12 H VAL 12 19.537 15.300 10.851 72 HA VAL 12 HA VAL 12 17.024 14.495 12.083 73 HB VAL 12 HB VAL 12 18.207 17.295 12.064 74 HG11 VAL 12 1HG1 VAL 12 15.778 17.304 11.935 75 HG12 VAL 12 2HG1 VAL 12 16.317 17.868 13.518 76 HG13 VAL 12 3HG1 VAL 12 15.683 16.236 13.336 77 HG21 VAL 12 3HG2 VAL 12 19.389 15.856 13.650 78 HG22 VAL 12 1HG2 VAL 12 17.852 15.401 14.386 79 HG23 VAL 12 2HG2 VAL 12 18.423 17.070 14.485 80 H GLU 13 H GLU 13 15.567 14.391 10.610 81 HA GLU 13 HA GLU 13 15.919 16.018 8.254 82 HB2 GLU 13 2HB GLU 13 14.344 14.382 7.145 83 HB3 GLU 13 1HB GLU 13 15.917 13.745 7.573 84 HG2 GLU 13 2HG GLU 13 13.409 13.297 9.193 85 HG3 GLU 13 1HG GLU 13 14.001 12.192 7.959 86 H THR 14 H THR 14 14.507 17.475 7.739 87 HA THR 14 HA THR 14 12.560 18.151 9.676 88 HB THR 14 HB THR 14 13.154 19.390 6.976 89 HG1 THR 14 1HG THR 14 14.086 19.881 9.618 90 HG21 THR 14 3HG2 THR 14 11.619 20.467 9.358 91 HG22 THR 14 1HG2 THR 14 10.923 20.002 7.809 92 HG23 THR 14 2HG2 THR 14 12.018 21.384 7.909 93 H TPO 15 H TPO 15 10.616 17.424 9.703 94 HA TPO 15 HA TPO 15 9.410 16.426 7.230 95 HB TPO 15 HB TPO 15 8.326 15.454 9.850 96 HG21 TPO 15 1HG2 TPO 15 7.589 14.836 7.560 97 HG22 TPO 15 2HG2 TPO 15 8.030 13.466 8.591 98 HG23 TPO 15 3HG2 TPO 15 9.138 14.026 7.334 99 H SER 16 H SER 16 7.762 17.762 6.603 100 HA SER 16 HA SER 16 6.740 19.694 8.505 101 HB2 SER 16 2HB SER 16 7.454 20.475 6.281 102 HB3 SER 16 1HB SER 16 6.294 19.394 5.518 103 HG SER 16 HG SER 16 5.872 21.828 6.833 104 H VAL 17 H VAL 17 4.953 19.308 9.623 105 HA VAL 17 HA VAL 17 3.254 17.059 8.964 106 HB VAL 17 HB VAL 17 2.987 19.039 11.249 107 HG11 VAL 17 1HG1 VAL 17 1.805 16.295 10.885 108 HG12 VAL 17 2HG1 VAL 17 0.936 17.828 10.827 109 HG13 VAL 17 3HG1 VAL 17 1.672 17.287 12.337 110 HG21 VAL 17 3HG2 VAL 17 4.109 17.397 12.657 111 HG22 VAL 17 1HG2 VAL 17 5.157 17.911 11.340 112 HG23 VAL 17 2HG2 VAL 17 4.355 16.339 11.271 113 H PHE 18 H PHE 18 1.539 17.263 7.696 114 HA PHE 18 HA PHE 18 0.146 19.823 7.617 115 HB2 PHE 18 2HB PHE 18 -0.311 19.453 5.179 116 HB3 PHE 18 1HB PHE 18 1.382 19.725 5.552 117 HD1 PHE 18 1HD PHE 18 -1.100 17.296 4.413 118 HD2 PHE 18 2HD PHE 18 3.011 17.963 5.274 119 HE1 PHE 18 1HE PHE 18 -0.513 15.239 3.211 120 HE2 PHE 18 2HE PHE 18 3.599 15.904 4.075 121 HZ PHE 18 HZ PHE 18 1.839 14.545 3.045 122 H ARG 19 H ARG 19 -2.033 19.787 7.529 123 HA ARG 19 HA ARG 19 -3.243 17.216 8.182 124 HB2 ARG 19 2HB ARG 19 -5.185 18.516 8.950 125 HB3 ARG 19 1HB ARG 19 -3.704 19.001 9.761 126 HG2 ARG 19 2HG ARG 19 -3.549 20.948 8.307 127 HG3 ARG 19 1HG ARG 19 -5.035 20.462 7.494 128 HD2 ARG 19 2HD ARG 19 -6.253 20.668 9.588 129 HD3 ARG 19 1HD ARG 19 -4.761 21.117 10.417 130 HE ARG 19 HE ARG 19 -5.301 22.773 8.189 131 HH11 ARG 19 1HH1 ARG 19 -6.208 22.233 11.560 132 HH12 ARG 19 2HH1 ARG 19 -6.625 23.860 11.873 133 HH21 ARG 19 1HH2 ARG 19 -5.906 25.031 8.597 134 HH22 ARG 19 2HH2 ARG 19 -6.461 25.478 10.139 135 H ALA 20 H ALA 20 -4.856 16.286 7.045 136 HA ALA 20 HA ALA 20 -5.753 17.587 4.561 137 HB1 ALA 20 1HB ALA 20 -4.959 14.681 4.901 138 HB2 ALA 20 2HB ALA 20 -4.047 15.896 4.007 139 HB3 ALA 20 3HB ALA 20 -5.636 15.387 3.435 140 H ASP 21 H ASP 21 -7.560 15.488 3.778 141 HA ASP 21 HA ASP 21 -9.815 16.063 5.430 142 HB2 ASP 21 2HB ASP 21 -11.065 14.582 3.963 143 HB3 ASP 21 1HB ASP 21 -10.006 15.605 2.999 144 H LEU 22 H LEU 22 -7.385 14.087 5.888 145 HA LEU 22 HA LEU 22 -8.218 11.638 6.850 146 HB2 LEU 22 2HB LEU 22 -6.000 13.469 7.688 147 HB3 LEU 22 1HB LEU 22 -6.127 11.795 8.180 148 HG LEU 22 HG LEU 22 -5.925 12.625 5.284 149 HD11 LEU 22 1HD1 LEU 22 -3.939 13.395 6.497 150 HD12 LEU 22 2HD1 LEU 22 -3.561 12.036 5.438 151 HD13 LEU 22 3HD1 LEU 22 -3.733 11.780 7.176 152 HD21 LEU 22 3HD2 LEU 22 -6.831 10.413 5.695 153 HD22 LEU 22 1HD2 LEU 22 -5.461 10.038 6.740 154 HD23 LEU 22 2HD2 LEU 22 -5.205 10.316 5.021 155 H LEU 23 H LEU 23 -8.298 14.824 8.336 156 HA LEU 23 HA LEU 23 -8.502 13.994 11.020 157 HB2 LEU 23 2HB LEU 23 -9.146 16.399 11.400 158 HB3 LEU 23 1HB LEU 23 -7.567 16.085 10.720 159 HG LEU 23 HG LEU 23 -8.500 16.704 8.476 160 HD11 LEU 23 1HD1 LEU 23 -10.556 18.009 8.372 161 HD12 LEU 23 2HD1 LEU 23 -10.879 17.624 10.059 162 HD13 LEU 23 3HD1 LEU 23 -10.855 16.341 8.853 163 HD21 LEU 23 3HD2 LEU 23 -8.585 18.772 10.656 164 HD22 LEU 23 1HD2 LEU 23 -8.477 19.119 8.928 165 HD23 LEU 23 2HD2 LEU 23 -7.175 18.255 9.736 166 H LYS 24 H LYS 24 -10.833 13.600 8.754 167 HA LYS 24 HA LYS 24 -13.060 14.346 10.411 168 HB2 LYS 24 2HB LYS 24 -14.502 13.411 8.671 169 HB3 LYS 24 1HB LYS 24 -13.317 14.511 7.996 170 HG2 LYS 24 2HG LYS 24 -11.990 12.611 7.230 171 HG3 LYS 24 1HG LYS 24 -13.183 11.506 7.922 172 HD2 LYS 24 2HD LYS 24 -14.902 12.438 6.453 173 HD3 LYS 24 1HD LYS 24 -13.716 13.552 5.777 174 HE2 LYS 24 2HE LYS 24 -12.439 11.738 4.873 175 HE3 LYS 24 1HE LYS 24 -13.475 10.555 5.667 176 HZ1 LYS 24 3HZ LYS 24 -14.132 10.734 3.372 177 HZ2 LYS 24 1HZ LYS 24 -14.252 12.413 3.476 178 HZ3 LYS 24 2HZ LYS 24 -15.330 11.421 4.304 179 H GLU 25 H GLU 25 -10.966 11.916 10.591 180 HA GLU 25 HA GLU 25 -12.322 9.559 10.740 181 HB2 GLU 25 2HB GLU 25 -10.474 8.887 12.438 182 HB3 GLU 25 1HB GLU 25 -10.079 9.192 10.767 183 HG2 GLU 25 2HG GLU 25 -8.407 10.142 12.211 184 HG3 GLU 25 1HG GLU 25 -9.264 11.442 11.393 185 H MET 26 H MET 26 -11.907 11.726 13.511 186 HA MET 26 HA MET 26 -13.033 9.984 15.386 187 HB2 MET 26 2HB MET 26 -11.726 11.993 15.967 188 HB3 MET 26 1HB MET 26 -13.066 13.004 15.442 189 HG2 MET 26 2HG MET 26 -14.487 11.947 17.163 190 HG3 MET 26 1HG MET 26 -13.085 11.044 17.727 191 HE1 MET 26 3HE MET 26 -10.881 12.236 18.722 192 HE2 MET 26 1HE MET 26 -10.747 13.974 18.988 193 HE3 MET 26 2HE MET 26 -10.780 13.336 17.348 194 H GLU 27 H GLU 27 -14.575 12.539 13.472 195 HA GLU 27 HA GLU 27 -17.123 12.052 14.659 196 HB2 GLU 27 2HB GLU 27 -16.406 14.256 13.721 197 HB3 GLU 27 1HB GLU 27 -16.493 13.552 12.115 198 HG2 GLU 27 2HG GLU 27 -18.860 13.249 12.307 199 HG3 GLU 27 1HG GLU 27 -18.825 13.734 14.002 200 H SER 28 H SER 28 -15.400 10.825 11.941 201 HA SER 28 HA SER 28 -17.702 9.604 10.723 202 HB2 SER 28 2HB SER 28 -14.765 9.138 10.164 203 HB3 SER 28 1HB SER 28 -16.128 8.656 9.146 204 HG SER 28 HG SER 28 -15.204 11.240 9.769 205 H SER 29 H SER 29 -15.693 8.858 13.333 206 HA SER 29 HA SER 29 -15.789 6.036 13.192 207 HB2 SER 29 2HB SER 29 -14.125 7.293 14.567 208 HB3 SER 29 1HB SER 29 -15.432 7.834 15.615 209 HG SER 29 HG SER 29 -14.577 5.172 15.170 210 H THR 30 H THR 30 -17.977 8.541 14.224 211 HA THR 30 HA THR 30 -19.822 6.753 15.454 212 HB THR 30 HB THR 30 -20.137 9.579 14.380 213 HG1 THR 30 1HG THR 30 -19.562 10.223 16.327 214 HG21 THR 30 3HG2 THR 30 -22.190 9.695 15.753 215 HG22 THR 30 1HG2 THR 30 -21.989 7.997 16.181 216 HG23 THR 30 2HG2 THR 30 -22.324 8.448 14.511 217 H GLY 31 H GLY 31 -20.286 5.153 14.159 218 HA2 GLY 31 2HA GLY 31 -21.688 4.253 12.412 219 HA3 GLY 31 1HA GLY 31 -21.303 5.687 11.442 220 H THR 32 H THR 32 -19.432 3.478 13.381 221 HA THR 32 HA THR 32 -17.096 3.701 11.861 222 HB THR 32 HB THR 32 -17.114 3.279 14.275 223 HG1 THR 32 1HG THR 32 -15.968 0.906 13.533 224 HG21 THR 32 3HG2 THR 32 -18.199 0.545 13.586 225 HG22 THR 32 1HG2 THR 32 -19.094 1.831 14.389 226 HG23 THR 32 2HG2 THR 32 -17.718 1.088 15.194 227 H ALA 33 H ALA 33 -16.050 2.177 10.593 228 HA ALA 33 HA ALA 33 -17.783 0.284 9.208 229 HB1 ALA 33 1HB ALA 33 -15.954 0.196 7.538 230 HB2 ALA 33 2HB ALA 33 -14.992 1.277 8.545 231 HB3 ALA 33 3HB ALA 33 -16.495 1.850 7.821 232 HA PRO 34 HA PRO 34 -16.109 -3.190 11.385 233 HB2 PRO 34 2HB PRO 34 -15.848 -4.680 8.844 234 HB3 PRO 34 1HB PRO 34 -16.808 -5.063 10.275 235 HG2 PRO 34 2HG PRO 34 -17.973 -4.205 8.033 236 HG3 PRO 34 1HG PRO 34 -18.564 -3.707 9.627 237 HD2 PRO 34 2HD PRO 34 -16.869 -2.190 7.675 238 HD3 PRO 34 1HD PRO 34 -18.229 -1.620 8.666 239 H ALA 35 H ALA 35 -14.199 -4.075 11.972 240 HA ALA 35 HA ALA 35 -11.808 -3.283 10.536 241 HB1 ALA 35 1HB ALA 35 -12.173 -4.742 13.158 242 HB2 ALA 35 2HB ALA 35 -11.907 -3.010 12.981 243 HB3 ALA 35 3HB ALA 35 -10.640 -4.149 12.521 244 H SER 36 H SER 36 -10.159 -4.954 10.117 245 HA SER 36 HA SER 36 -11.449 -7.383 9.164 246 HB2 SER 36 2HB SER 36 -10.233 -6.011 7.494 247 HB3 SER 36 1HB SER 36 -8.762 -6.156 8.449 248 HG SER 36 HG SER 36 -9.109 -7.636 6.579 249 H THR 37 H THR 37 -9.741 -9.207 9.130 250 HA THR 37 HA THR 37 -7.912 -9.376 11.324 251 HB THR 37 HB THR 37 -10.105 -9.951 12.417 252 HG1 THR 37 1HG THR 37 -8.180 -12.056 12.157 253 HG21 THR 37 3HG2 THR 37 -11.317 -11.989 11.782 254 HG22 THR 37 1HG2 THR 37 -10.179 -12.255 10.457 255 HG23 THR 37 2HG2 THR 37 -11.247 -10.856 10.433 256 H GLY 38 H GLY 38 -7.765 -9.302 8.528 257 HA2 GLY 38 2HA GLY 38 -7.512 -12.088 7.708 258 HA3 GLY 38 1HA GLY 38 -7.751 -10.722 6.633 259 H ALA 39 H ALA 39 -5.446 -10.774 9.299 260 HA ALA 39 HA ALA 39 -3.406 -10.477 7.300 261 HB1 ALA 39 1HB ALA 39 -3.200 -10.324 10.322 262 HB2 ALA 39 2HB ALA 39 -3.224 -8.968 9.187 263 HB3 ALA 39 3HB ALA 39 -1.855 -10.070 9.216 264 H GLU 40 H GLU 40 -4.614 -12.610 9.661 265 HA GLU 40 HA GLU 40 -2.528 -14.561 9.801 266 HB2 GLU 40 2HB GLU 40 -4.179 -15.784 11.132 267 HB3 GLU 40 1HB GLU 40 -4.044 -14.104 11.639 268 HG2 GLU 40 2HG GLU 40 -6.061 -13.663 10.128 269 HG3 GLU 40 1HG GLU 40 -6.254 -15.407 10.080 270 H ASN 41 H ASN 41 -4.152 -13.920 7.203 271 HA ASN 41 HA ASN 41 -5.352 -16.473 6.595 272 HB2 ASN 41 2HB ASN 41 -4.915 -14.031 4.857 273 HB3 ASN 41 1HB ASN 41 -5.661 -15.508 4.271 274 HD21 ASN 41 1HD2 ASN 41 -7.559 -14.375 3.807 275 HD22 ASN 41 2HD2 ASN 41 -8.659 -13.887 5.030 276 H LEU 42 H LEU 42 -2.502 -14.696 5.712 277 HA LEU 42 HA LEU 42 -0.722 -15.172 4.348 278 HB2 LEU 42 2HB LEU 42 -0.693 -17.461 6.296 279 HB3 LEU 42 1HB LEU 42 0.663 -17.003 5.292 280 HG LEU 42 HG LEU 42 -0.583 -15.301 7.451 281 HD11 LEU 42 1HD1 LEU 42 2.049 -16.765 7.340 282 HD12 LEU 42 2HD1 LEU 42 0.653 -17.216 8.316 283 HD13 LEU 42 3HD1 LEU 42 1.506 -15.706 8.640 284 HD21 LEU 42 3HD2 LEU 42 1.352 -13.826 7.074 285 HD22 LEU 42 1HD2 LEU 42 0.319 -13.922 5.647 286 HD23 LEU 42 2HD2 LEU 42 1.835 -14.823 5.706 287 HA PRO 43 HA PRO 43 -2.447 -18.358 1.554 288 HB2 PRO 43 2HB PRO 43 -2.181 -16.450 -0.612 289 HB3 PRO 43 1HB PRO 43 -3.655 -17.180 0.029 290 HG2 PRO 43 2HG PRO 43 -2.974 -14.526 0.300 291 HG3 PRO 43 1HG PRO 43 -4.086 -15.382 1.389 292 HD2 PRO 43 2HD PRO 43 -1.215 -14.656 1.749 293 HD3 PRO 43 1HD PRO 43 -2.525 -14.699 2.946 294 H ALA 44 H ALA 44 -0.362 -16.036 -0.131 295 HA ALA 44 HA ALA 44 1.521 -18.220 -0.651 296 HB1 ALA 44 1HB ALA 44 0.612 -17.010 -2.568 297 HB2 ALA 44 2HB ALA 44 2.362 -16.835 -2.438 298 HB3 ALA 44 3HB ALA 44 1.300 -15.515 -1.938 299 H GLY 45 H GLY 45 1.130 -15.633 1.397 300 HA2 GLY 45 2HA GLY 45 2.672 -15.012 3.086 301 HA3 GLY 45 1HA GLY 45 3.964 -15.706 2.114 302 H SER 46 H SER 46 2.380 -14.033 -0.064 303 HA SER 46 HA SER 46 3.867 -11.553 0.428 304 HB2 SER 46 2HB SER 46 2.904 -12.622 -2.239 305 HB3 SER 46 1HB SER 46 4.124 -11.386 -1.939 306 HG SER 46 HG SER 46 5.613 -12.893 -1.573 307 H ALA 47 H ALA 47 2.622 -9.622 -0.513 308 HA ALA 47 HA ALA 47 -0.217 -10.029 -0.858 309 HB1 ALA 47 1HB ALA 47 -0.833 -8.558 0.974 310 HB2 ALA 47 2HB ALA 47 0.859 -8.435 1.448 311 HB3 ALA 47 3HB ALA 47 0.024 -9.983 1.561 312 H LEU 48 H LEU 48 -1.317 -7.977 -1.564 313 HA LEU 48 HA LEU 48 0.577 -5.949 -2.347 314 HB2 LEU 48 2HB LEU 48 -0.227 -5.848 -4.645 315 HB3 LEU 48 1HB LEU 48 0.494 -7.387 -4.290 316 HG LEU 48 HG LEU 48 -1.274 -7.813 -5.735 317 HD11 LEU 48 1HD1 LEU 48 -1.214 -9.463 -4.098 318 HD12 LEU 48 2HD1 LEU 48 -2.883 -9.193 -4.601 319 HD13 LEU 48 3HD1 LEU 48 -2.315 -8.559 -3.057 320 HD21 LEU 48 3HD2 LEU 48 -3.116 -6.130 -4.050 321 HD22 LEU 48 1HD2 LEU 48 -3.616 -7.099 -5.439 322 HD23 LEU 48 2HD2 LEU 48 -2.504 -5.747 -5.659 323 H LEU 49 H LEU 49 -0.209 -3.913 -2.549 324 HA LEU 49 HA LEU 49 -3.035 -3.612 -1.842 325 HB2 LEU 49 2HB LEU 49 -2.638 -1.584 -0.619 326 HB3 LEU 49 1HB LEU 49 -1.603 -2.814 0.035 327 HG LEU 49 HG LEU 49 -0.731 -0.524 -1.744 328 HD11 LEU 49 1HD1 LEU 49 0.330 0.328 0.288 329 HD12 LEU 49 2HD1 LEU 49 -0.366 -1.008 1.208 330 HD13 LEU 49 3HD1 LEU 49 -1.419 0.200 0.471 331 HD21 LEU 49 3HD2 LEU 49 1.557 -1.194 -1.089 332 HD22 LEU 49 1HD2 LEU 49 0.743 -2.438 -2.044 333 HD23 LEU 49 2HD2 LEU 49 0.873 -2.617 -0.299 334 H VAL 50 H VAL 50 -4.248 -2.182 -2.912 335 HA VAL 50 HA VAL 50 -3.072 -1.235 -5.441 336 HB VAL 50 HB VAL 50 -5.970 -1.883 -4.837 337 HG11 VAL 50 1HG1 VAL 50 -4.616 -1.291 -7.466 338 HG12 VAL 50 2HG1 VAL 50 -5.737 -0.239 -6.604 339 HG13 VAL 50 3HG1 VAL 50 -6.298 -1.778 -7.257 340 HG21 VAL 50 3HG2 VAL 50 -3.947 -3.537 -6.350 341 HG22 VAL 50 1HG2 VAL 50 -5.666 -3.898 -6.210 342 HG23 VAL 50 2HG2 VAL 50 -4.637 -3.924 -4.778 343 H VAL 51 H VAL 51 -3.175 0.903 -5.848 344 HA VAL 51 HA VAL 51 -4.420 2.710 -3.897 345 HB VAL 51 HB VAL 51 -3.217 3.468 -6.556 346 HG11 VAL 51 1HG1 VAL 51 -3.441 4.971 -3.951 347 HG12 VAL 51 2HG1 VAL 51 -4.440 5.207 -5.384 348 HG13 VAL 51 3HG1 VAL 51 -2.721 5.592 -5.437 349 HG21 VAL 51 3HG2 VAL 51 -1.657 3.068 -3.997 350 HG22 VAL 51 1HG2 VAL 51 -1.032 3.784 -5.483 351 HG23 VAL 51 2HG2 VAL 51 -1.532 2.094 -5.458 352 H LYS 52 H LYS 52 -6.401 3.197 -3.997 353 HA LYS 52 HA LYS 52 -7.985 2.411 -6.296 354 HB2 LYS 52 2HB LYS 52 -8.790 3.668 -3.676 355 HB3 LYS 52 1HB LYS 52 -9.894 3.039 -4.884 356 HG2 LYS 52 2HG LYS 52 -7.864 1.415 -3.355 357 HG3 LYS 52 1HG LYS 52 -9.585 1.518 -2.986 358 HD2 LYS 52 2HD LYS 52 -8.410 0.456 -5.561 359 HD3 LYS 52 1HD LYS 52 -9.005 -0.526 -4.224 360 HE2 LYS 52 2HE LYS 52 -11.247 0.462 -4.520 361 HE3 LYS 52 1HE LYS 52 -10.641 1.402 -5.881 362 HZ1 LYS 52 3HZ LYS 52 -10.651 -1.542 -5.720 363 HZ2 LYS 52 1HZ LYS 52 -10.149 -0.626 -7.041 364 HZ3 LYS 52 2HZ LYS 52 -11.780 -0.628 -6.565 365 H ARG 53 H ARG 53 -6.952 5.283 -4.649 366 HA ARG 53 HA ARG 53 -7.883 6.929 -6.871 367 HB2 ARG 53 2HB ARG 53 -9.731 6.726 -5.126 368 HB3 ARG 53 1HB ARG 53 -8.649 7.533 -4.012 369 HG2 ARG 53 2HG ARG 53 -10.165 9.168 -4.820 370 HG3 ARG 53 1HG ARG 53 -8.616 9.478 -5.596 371 HD2 ARG 53 2HD ARG 53 -10.760 7.839 -6.935 372 HD3 ARG 53 1HD ARG 53 -10.728 9.592 -7.060 373 HE ARG 53 HE ARG 53 -8.421 9.249 -7.968 374 HH11 ARG 53 1HH1 ARG 53 -10.986 6.842 -8.484 375 HH12 ARG 53 2HH1 ARG 53 -10.329 6.290 -9.954 376 HH21 ARG 53 1HH2 ARG 53 -7.577 8.506 -9.981 377 HH22 ARG 53 2HH2 ARG 53 -8.344 7.256 -10.825 378 H GLY 54 H GLY 54 -6.517 8.706 -7.096 379 HA2 GLY 54 2HA GLY 54 -5.148 10.291 -5.685 380 HA3 GLY 54 1HA GLY 54 -4.337 8.810 -5.175 381 HA PRO 55 HA PRO 55 -2.236 10.674 -8.998 382 HB2 PRO 55 2HB PRO 55 0.096 10.131 -7.245 383 HB3 PRO 55 1HB PRO 55 -0.228 11.538 -8.261 384 HG2 PRO 55 2HG PRO 55 -0.470 11.706 -5.626 385 HG3 PRO 55 1HG PRO 55 -1.644 12.509 -6.687 386 HD2 PRO 55 2HD PRO 55 -1.909 9.963 -5.139 387 HD3 PRO 55 1HD PRO 55 -3.100 11.254 -5.405 388 H ASN 56 H ASN 56 -1.350 8.045 -6.808 389 HA ASN 56 HA ASN 56 -0.110 6.505 -8.931 390 HB2 ASN 56 2HB ASN 56 -0.519 5.835 -6.013 391 HB3 ASN 56 1HB ASN 56 0.594 5.050 -7.131 392 HD21 ASN 56 1HD2 ASN 56 2.500 6.120 -7.674 393 HD22 ASN 56 2HD2 ASN 56 3.078 7.463 -6.756 394 H ALA 57 H ALA 57 -3.204 7.004 -8.524 395 HA ALA 57 HA ALA 57 -4.442 4.626 -7.684 396 HB1 ALA 57 1HB ALA 57 -5.522 6.600 -9.678 397 HB2 ALA 57 2HB ALA 57 -5.626 6.764 -7.927 398 HB3 ALA 57 3HB ALA 57 -6.454 5.434 -8.740 399 H GLY 58 H GLY 58 -4.949 2.776 -8.584 400 HA2 GLY 58 2HA GLY 58 -5.532 1.397 -10.420 401 HA3 GLY 58 1HA GLY 58 -4.604 2.450 -11.478 402 H ALA 59 H ALA 59 -2.475 2.436 -9.292 403 HA ALA 59 HA ALA 59 -1.124 0.108 -10.359 404 HB1 ALA 59 1HB ALA 59 0.901 1.077 -9.396 405 HB2 ALA 59 2HB ALA 59 -0.062 2.345 -8.630 406 HB3 ALA 59 3HB ALA 59 0.047 2.265 -10.387 407 H ARG 60 H ARG 60 0.004 -1.351 -8.975 408 HA ARG 60 HA ARG 60 -0.978 -1.412 -6.234 409 HB2 ARG 60 2HB ARG 60 -1.460 -3.762 -6.243 410 HB3 ARG 60 1HB ARG 60 -2.284 -3.080 -7.627 411 HG2 ARG 60 2HG ARG 60 0.343 -4.567 -7.784 412 HG3 ARG 60 1HG ARG 60 -1.233 -5.310 -8.018 413 HD2 ARG 60 2HD ARG 60 -0.055 -3.082 -9.674 414 HD3 ARG 60 1HD ARG 60 -0.127 -4.779 -10.147 415 HE ARG 60 HE ARG 60 -2.697 -3.831 -9.493 416 HH11 ARG 60 1HH1 ARG 60 -0.299 -3.642 -12.062 417 HH12 ARG 60 2HH1 ARG 60 -1.417 -3.364 -13.304 418 HH21 ARG 60 1HH2 ARG 60 -4.249 -3.413 -11.172 419 HH22 ARG 60 2HH2 ARG 60 -3.734 -3.175 -12.778 420 H PHE 61 H PHE 61 0.431 -2.230 -4.753 421 HA PHE 61 HA PHE 61 3.167 -2.679 -5.761 422 HB2 PHE 61 2HB PHE 61 2.332 -1.415 -3.139 423 HB3 PHE 61 1HB PHE 61 3.983 -1.689 -3.676 424 HD1 PHE 61 2HD PHE 61 4.907 -0.362 -5.545 425 HD2 PHE 61 1HD PHE 61 1.071 0.448 -3.893 426 HE1 PHE 61 2HE PHE 61 4.924 1.857 -6.599 427 HE2 PHE 61 1HE PHE 61 1.084 2.669 -4.946 428 HZ PHE 61 HZ PHE 61 3.007 3.375 -6.292 429 H LEU 62 H LEU 62 4.256 -4.436 -4.893 430 HA LEU 62 HA LEU 62 2.564 -6.140 -3.237 431 HB2 LEU 62 2HB LEU 62 2.865 -6.872 -5.606 432 HB3 LEU 62 1HB LEU 62 4.583 -6.984 -5.326 433 HG LEU 62 HG LEU 62 2.639 -8.685 -3.759 434 HD11 LEU 62 1HD1 LEU 62 2.182 -9.037 -6.140 435 HD12 LEU 62 2HD1 LEU 62 2.984 -10.440 -5.435 436 HD13 LEU 62 3HD1 LEU 62 3.902 -9.306 -6.428 437 HD21 LEU 62 3HD2 LEU 62 5.529 -9.055 -4.566 438 HD22 LEU 62 1HD2 LEU 62 4.570 -10.197 -3.627 439 HD23 LEU 62 2HD2 LEU 62 4.956 -8.609 -2.960 440 H LEU 63 H LEU 63 3.278 -6.762 -1.400 441 HA LEU 63 HA LEU 63 5.977 -6.073 -0.532 442 HB2 LEU 63 2HB LEU 63 3.607 -7.042 1.084 443 HB3 LEU 63 1HB LEU 63 5.146 -6.542 1.729 444 HG LEU 63 HG LEU 63 3.674 -4.813 2.211 445 HD11 LEU 63 1HD1 LEU 63 5.163 -3.956 -0.229 446 HD12 LEU 63 2HD1 LEU 63 5.749 -3.971 1.436 447 HD13 LEU 63 3HD1 LEU 63 4.442 -2.881 0.967 448 HD21 LEU 63 3HD2 LEU 63 1.825 -5.436 0.763 449 HD22 LEU 63 1HD2 LEU 63 2.703 -4.822 -0.642 450 HD23 LEU 63 2HD2 LEU 63 2.193 -3.717 0.641 451 H ASP 64 H ASP 64 7.392 -7.646 -0.795 452 HA ASP 64 HA ASP 64 6.636 -10.372 0.007 453 HB2 ASP 64 2HB ASP 64 6.659 -10.283 -2.445 454 HB3 ASP 64 1HB ASP 64 8.260 -9.565 -2.428 455 H GLN 65 H GLN 65 8.280 -7.828 0.821 456 HA GLN 65 HA GLN 65 10.668 -9.270 1.593 457 HB2 GLN 65 2HB GLN 65 11.916 -7.083 1.470 458 HB3 GLN 65 1HB GLN 65 11.496 -7.777 -0.062 459 HG2 GLN 65 2HG GLN 65 9.964 -5.543 1.271 460 HG3 GLN 65 1HG GLN 65 11.247 -5.292 0.092 461 HE21 GLN 65 1HE2 GLN 65 8.414 -4.597 0.087 462 HE22 GLN 65 2HE2 GLN 65 7.769 -5.213 -1.396 463 HA PRO 66 HA PRO 66 9.706 -8.464 5.790 464 HB2 PRO 66 2HB PRO 66 12.601 -7.845 6.103 465 HB3 PRO 66 1HB PRO 66 11.584 -8.973 7.011 466 HG2 PRO 66 2HG PRO 66 13.283 -9.892 5.208 467 HG3 PRO 66 1HG PRO 66 11.656 -10.581 5.333 468 HD2 PRO 66 2HD PRO 66 12.740 -8.663 3.309 469 HD3 PRO 66 1HD PRO 66 11.635 -10.038 3.106 470 H THR 67 H THR 67 11.506 -5.977 4.024 471 HA THR 67 HA THR 67 10.153 -4.032 5.704 472 HB THR 67 HB THR 67 13.158 -3.986 5.264 473 HG1 THR 67 1HG THR 67 11.592 -5.114 7.108 474 HG21 THR 67 3HG2 THR 67 13.127 -2.009 6.753 475 HG22 THR 67 1HG2 THR 67 11.368 -2.092 6.827 476 HG23 THR 67 2HG2 THR 67 12.170 -1.716 5.303 477 H THR 68 H THR 68 9.186 -2.617 4.444 478 HA THR 68 HA THR 68 10.315 -1.978 1.800 479 HB THR 68 HB THR 68 7.384 -2.248 2.510 480 HG1 THR 68 1HG THR 68 8.634 -4.243 2.661 481 HG21 THR 68 3HG2 THR 68 7.929 -0.878 0.564 482 HG22 THR 68 1HG2 THR 68 7.096 -2.361 0.091 483 HG23 THR 68 2HG2 THR 68 8.843 -2.223 -0.125 484 H THR 69 H THR 69 10.698 0.265 1.757 485 HA THR 69 HA THR 69 9.453 1.876 3.831 486 HB THR 69 HB THR 69 10.949 3.692 3.021 487 HG1 THR 69 1HG THR 69 11.859 1.678 1.191 488 HG21 THR 69 3HG2 THR 69 11.719 2.169 4.771 489 HG22 THR 69 1HG2 THR 69 13.061 2.663 3.740 490 HG23 THR 69 2HG2 THR 69 12.343 1.064 3.546 491 H ALA 70 H ALA 70 7.985 3.544 3.501 492 HA ALA 70 HA ALA 70 7.075 3.898 0.742 493 HB1 ALA 70 1HB ALA 70 4.833 4.287 1.649 494 HB2 ALA 70 2HB ALA 70 5.438 3.953 3.273 495 HB3 ALA 70 3HB ALA 70 5.431 2.677 2.052 496 H GLY 71 H GLY 71 6.894 5.947 0.038 497 HA2 GLY 71 2HA GLY 71 6.588 8.171 1.681 498 HA3 GLY 71 1HA GLY 71 8.294 7.951 1.315 499 H ARG 72 H ARG 72 8.134 9.934 0.236 500 HA ARG 72 HA ARG 72 6.665 9.901 -2.312 501 HB2 ARG 72 2HB ARG 72 6.529 11.751 -0.411 502 HB3 ARG 72 1HB ARG 72 8.014 12.311 -1.142 503 HG2 ARG 72 2HG ARG 72 5.447 11.963 -2.662 504 HG3 ARG 72 1HG ARG 72 5.876 13.460 -1.847 505 HD2 ARG 72 2HD ARG 72 7.926 13.530 -3.284 506 HD3 ARG 72 1HD ARG 72 7.293 12.133 -4.155 507 HE ARG 72 HE ARG 72 5.432 13.508 -4.897 508 HH11 ARG 72 1HH1 ARG 72 8.249 15.295 -3.629 509 HH12 ARG 72 2HH1 ARG 72 7.694 16.793 -4.164 510 HH21 ARG 72 1HH2 ARG 72 4.727 15.504 -5.669 511 HH22 ARG 72 2HH2 ARG 72 5.621 16.930 -5.385 512 H HIS 73 H HIS 73 7.805 10.166 -4.180 513 HA HIS 73 HA HIS 73 9.442 10.231 -5.675 514 HB2 HIS 73 2HB HIS 73 11.407 10.760 -3.401 515 HB3 HIS 73 1HB HIS 73 11.869 10.673 -5.094 516 HD1 HIS 73 1HD HIS 73 11.281 12.773 -6.587 517 HD2 HIS 73 2HD HIS 73 10.124 13.047 -2.605 518 HE1 HIS 73 1HE HIS 73 10.616 15.165 -6.213 519 HA PRO 74 HA PRO 74 10.367 5.937 -5.842 520 HB2 PRO 74 2HB PRO 74 12.544 6.594 -7.737 521 HB3 PRO 74 1HB PRO 74 11.115 5.584 -7.982 522 HG2 PRO 74 2HG PRO 74 11.217 7.964 -9.119 523 HG3 PRO 74 1HG PRO 74 9.725 7.426 -8.323 524 HD2 PRO 74 2HD PRO 74 11.855 9.249 -7.256 525 HD3 PRO 74 1HD PRO 74 10.092 9.482 -7.307 526 H GLU 75 H GLU 75 12.211 7.798 -4.128 527 HA GLU 75 HA GLU 75 14.690 6.348 -3.987 528 HB2 GLU 75 2HB GLU 75 13.493 8.210 -1.923 529 HB3 GLU 75 1HB GLU 75 15.183 7.767 -2.088 530 HG2 GLU 75 2HG GLU 75 13.570 9.475 -3.971 531 HG3 GLU 75 1HG GLU 75 14.848 10.012 -2.881 532 H SER 76 H SER 76 11.538 6.329 -2.580 533 HA SER 76 HA SER 76 12.227 4.268 -0.659 534 HB2 SER 76 2HB SER 76 9.653 5.799 -1.125 535 HB3 SER 76 1HB SER 76 9.970 4.687 0.213 536 HG SER 76 HG SER 76 11.917 6.165 0.446 537 H ASP 77 H ASP 77 11.047 2.308 -0.610 538 HA ASP 77 HA ASP 77 10.953 0.886 -3.015 539 HB2 ASP 77 2HB ASP 77 9.457 0.264 -0.464 540 HB3 ASP 77 1HB ASP 77 9.753 -0.864 -1.775 541 H ILE 78 H ILE 78 8.325 2.212 -1.074 542 HA ILE 78 HA ILE 78 6.440 1.722 -3.266 543 HB ILE 78 HB ILE 78 5.851 2.797 -0.481 544 HG12 ILE 78 2HG1 ILE 78 6.762 0.524 -0.300 545 HG13 ILE 78 1HG1 ILE 78 5.055 0.559 0.122 546 HG21 ILE 78 1HG2 ILE 78 3.537 2.210 -0.960 547 HG22 ILE 78 2HG2 ILE 78 4.008 1.617 -2.550 548 HG23 ILE 78 3HG2 ILE 78 4.167 3.331 -2.172 549 HD11 ILE 78 3HD1 ILE 78 4.509 -0.339 -2.089 550 HD12 ILE 78 1HD1 ILE 78 5.588 -1.408 -1.190 551 HD13 ILE 78 2HD1 ILE 78 6.229 -0.390 -2.481 552 H PHE 79 H PHE 79 6.510 3.341 -4.714 553 HA PHE 79 HA PHE 79 7.024 6.034 -3.833 554 HB2 PHE 79 2HB PHE 79 8.140 5.520 -5.872 555 HB3 PHE 79 1HB PHE 79 6.685 4.821 -6.578 556 HD1 PHE 79 2HD PHE 79 7.843 8.074 -5.154 557 HD2 PHE 79 1HD PHE 79 5.529 6.098 -8.116 558 HE1 PHE 79 2HE PHE 79 7.245 10.245 -6.133 559 HE2 PHE 79 1HE PHE 79 4.922 8.277 -9.091 560 HZ PHE 79 HZ PHE 79 5.781 10.345 -8.104 561 H LEU 80 H LEU 80 5.496 7.194 -3.104 562 HA LEU 80 HA LEU 80 2.819 7.176 -4.361 563 HB2 LEU 80 2HB LEU 80 3.524 7.712 -1.460 564 HB3 LEU 80 1HB LEU 80 1.937 7.658 -2.204 565 HG LEU 80 HG LEU 80 3.726 5.266 -1.931 566 HD11 LEU 80 1HD1 LEU 80 3.076 6.039 0.263 567 HD12 LEU 80 2HD1 LEU 80 2.199 4.563 -0.137 568 HD13 LEU 80 3HD1 LEU 80 1.385 6.123 -0.227 569 HD21 LEU 80 3HD2 LEU 80 1.682 4.008 -2.461 570 HD22 LEU 80 1HD2 LEU 80 2.135 5.091 -3.775 571 HD23 LEU 80 2HD2 LEU 80 0.807 5.520 -2.701 572 H ASP 81 H ASP 81 2.080 9.210 -4.801 573 HA ASP 81 HA ASP 81 4.134 11.281 -4.469 574 HB2 ASP 81 2HB ASP 81 3.342 10.984 -6.777 575 HB3 ASP 81 1HB ASP 81 1.693 11.331 -6.258 576 H ASP 82 H ASP 82 3.939 12.725 -2.974 577 HA ASP 82 HA ASP 82 1.344 12.985 -1.643 578 HB2 ASP 82 2HB ASP 82 3.117 11.616 -0.436 579 HB3 ASP 82 1HB ASP 82 4.081 13.079 -0.336 580 H VAL 83 H VAL 83 1.669 15.015 -0.071 581 HA VAL 83 HA VAL 83 1.566 17.275 -1.760 582 HB VAL 83 HB VAL 83 1.795 17.221 1.262 583 HG11 VAL 83 1HG1 VAL 83 0.720 19.431 1.194 584 HG12 VAL 83 2HG1 VAL 83 0.789 19.402 -0.568 585 HG13 VAL 83 3HG1 VAL 83 2.281 19.437 0.371 586 HG21 VAL 83 3HG2 VAL 83 -0.642 17.278 -0.509 587 HG22 VAL 83 1HG2 VAL 83 -0.651 17.393 1.250 588 HG23 VAL 83 2HG2 VAL 83 -0.100 15.913 0.468 589 H THR 84 H THR 84 4.051 16.240 0.542 590 HA THR 84 HA THR 84 5.867 18.107 -0.766 591 HB THR 84 HB THR 84 5.162 19.047 1.446 592 HG1 THR 84 1HG THR 84 7.092 19.695 1.986 593 HG21 THR 84 3HG2 THR 84 4.755 16.972 2.659 594 HG22 THR 84 1HG2 THR 84 5.920 17.961 3.537 595 HG23 THR 84 2HG2 THR 84 6.472 16.572 2.601 596 H VAL 85 H VAL 85 8.209 17.352 0.421 597 HA VAL 85 HA VAL 85 8.527 14.709 -0.692 598 HB VAL 85 HB VAL 85 10.586 16.497 0.660 599 HG11 VAL 85 1HG1 VAL 85 12.274 15.045 -0.382 600 HG12 VAL 85 2HG1 VAL 85 10.994 13.992 -0.981 601 HG13 VAL 85 3HG1 VAL 85 11.260 14.155 0.754 602 HG21 VAL 85 3HG2 VAL 85 9.697 17.481 -1.399 603 HG22 VAL 85 1HG2 VAL 85 10.073 16.000 -2.273 604 HG23 VAL 85 2HG2 VAL 85 11.376 16.985 -1.609 605 H SER 86 H SER 86 7.479 13.330 0.609 606 HA SER 86 HA SER 86 8.093 13.249 3.402 607 HB2 SER 86 2HB SER 86 6.323 11.419 1.738 608 HB3 SER 86 1HB SER 86 6.350 11.552 3.503 609 HG SER 86 HG SER 86 4.627 12.862 2.420 610 H ARG 87 H ARG 87 10.197 12.867 3.274 611 HA ARG 87 HA ARG 87 11.437 10.681 1.933 612 HB2 ARG 87 2HB ARG 87 13.414 11.327 3.512 613 HB3 ARG 87 1HB ARG 87 12.916 12.435 2.243 614 HG2 ARG 87 2HG ARG 87 11.637 13.731 3.872 615 HG3 ARG 87 1HG ARG 87 12.137 12.630 5.161 616 HD2 ARG 87 2HD ARG 87 14.350 13.386 5.050 617 HD3 ARG 87 1HD ARG 87 14.121 14.090 3.451 618 HE ARG 87 HE ARG 87 12.443 15.337 5.422 619 HH11 ARG 87 1HH1 ARG 87 15.848 15.234 4.482 620 HH12 ARG 87 2HH1 ARG 87 16.083 16.911 4.549 621 HH21 ARG 87 1HH2 ARG 87 12.756 17.659 5.526 622 HH22 ARG 87 2HH2 ARG 87 14.283 18.340 5.171 623 H ARG 88 H ARG 88 10.273 11.139 5.184 624 HA ARG 88 HA ARG 88 10.614 8.287 5.632 625 HB2 ARG 88 2HB ARG 88 11.285 10.483 7.620 626 HB3 ARG 88 1HB ARG 88 11.128 8.792 8.051 627 HG2 ARG 88 2HG ARG 88 13.157 9.891 6.112 628 HG3 ARG 88 1HG ARG 88 13.472 9.520 7.807 629 HD2 ARG 88 2HD ARG 88 12.562 7.536 5.715 630 HD3 ARG 88 1HD ARG 88 14.214 7.715 6.298 631 HE ARG 88 HE ARG 88 12.909 7.285 8.572 632 HH11 ARG 88 1HH1 ARG 88 12.642 5.508 5.499 633 HH12 ARG 88 2HH1 ARG 88 12.384 4.007 6.277 634 HH21 ARG 88 1HH2 ARG 88 12.487 5.261 9.566 635 HH22 ARG 88 2HH2 ARG 88 12.197 3.857 8.627 636 H HIS 89 H HIS 89 8.413 8.123 5.086 637 HA HIS 89 HA HIS 89 6.586 9.496 6.931 638 HB2 HIS 89 2HB HIS 89 5.966 9.840 4.630 639 HB3 HIS 89 1HB HIS 89 6.089 8.122 4.282 640 HD2 HIS 89 2HD HIS 89 3.731 10.445 6.473 641 HE1 HIS 89 1HE HIS 89 1.593 7.087 5.047 642 HE2 HIS 89 2HE HIS 89 1.504 9.068 6.558 643 H ALA 90 H ALA 90 7.046 6.230 5.470 644 HA ALA 90 HA ALA 90 6.518 5.001 8.004 645 HB1 ALA 90 1HB ALA 90 4.233 5.526 7.275 646 HB2 ALA 90 2HB ALA 90 4.524 3.789 7.305 647 HB3 ALA 90 3HB ALA 90 4.517 4.652 5.769 648 H GLU 91 H GLU 91 6.637 2.688 7.844 649 HA GLU 91 HA GLU 91 7.542 1.676 5.314 650 HB2 GLU 91 2HB GLU 91 9.432 0.398 6.355 651 HB3 GLU 91 1HB GLU 91 9.665 2.134 6.334 652 HG2 GLU 91 2HG GLU 91 9.014 2.212 8.711 653 HG3 GLU 91 1HG GLU 91 8.874 0.456 8.697 654 H PHE 92 H PHE 92 7.107 -0.399 4.919 655 HA PHE 92 HA PHE 92 5.120 -1.622 6.692 656 HB2 PHE 92 2HB PHE 92 5.662 -2.053 3.729 657 HB3 PHE 92 1HB PHE 92 4.460 -2.896 4.692 658 HD1 PHE 92 1HD PHE 92 5.397 0.609 3.726 659 HD2 PHE 92 2HD PHE 92 2.296 -2.158 4.603 660 HE1 PHE 92 1HE PHE 92 3.705 2.303 3.133 661 HE2 PHE 92 2HE PHE 92 0.614 -0.468 4.020 662 HZ PHE 92 HZ PHE 92 1.320 1.765 3.283 663 H ARG 93 H ARG 93 5.847 -3.255 7.773 664 HA ARG 93 HA ARG 93 8.213 -4.653 6.798 665 HB2 ARG 93 2HB ARG 93 7.371 -4.024 9.631 666 HB3 ARG 93 1HB ARG 93 8.812 -4.925 9.164 667 HG2 ARG 93 2HG ARG 93 9.758 -3.008 8.102 668 HG3 ARG 93 1HG ARG 93 8.268 -2.092 8.314 669 HD2 ARG 93 2HD ARG 93 9.929 -1.395 9.923 670 HD3 ARG 93 1HD ARG 93 8.578 -2.181 10.732 671 HE ARG 93 HE ARG 93 9.931 -4.100 11.051 672 HH11 ARG 93 1HH1 ARG 93 11.734 -1.292 9.793 673 HH12 ARG 93 2HH1 ARG 93 13.174 -1.743 10.582 674 HH21 ARG 93 1HH2 ARG 93 11.965 -4.700 12.071 675 HH22 ARG 93 2HH2 ARG 93 13.315 -3.678 11.896 676 H ILE 94 H ILE 94 7.972 -6.751 6.570 677 HA ILE 94 HA ILE 94 5.562 -8.017 7.695 678 HB ILE 94 HB ILE 94 7.041 -8.772 5.128 679 HG12 ILE 94 2HG1 ILE 94 4.761 -8.233 4.025 680 HG13 ILE 94 1HG1 ILE 94 4.380 -7.392 5.519 681 HG21 ILE 94 1HG2 ILE 94 4.554 -9.952 6.355 682 HG22 ILE 94 2HG2 ILE 94 6.143 -10.709 6.251 683 HG23 ILE 94 3HG2 ILE 94 5.220 -10.387 4.779 684 HD11 ILE 94 3HD1 ILE 94 6.625 -6.710 3.628 685 HD12 ILE 94 1HD1 ILE 94 6.249 -5.866 5.131 686 HD13 ILE 94 2HD1 ILE 94 5.097 -5.846 3.799 687 H ASN 95 H ASN 95 6.144 -9.248 9.291 688 HA ASN 95 HA ASN 95 8.649 -10.712 9.068 689 HB2 ASN 95 2HB ASN 95 8.011 -8.881 11.384 690 HB3 ASN 95 1HB ASN 95 9.219 -10.154 11.471 691 HD21 ASN 95 1HD2 ASN 95 8.437 -7.042 10.222 692 HD22 ASN 95 2HD2 ASN 95 10.017 -6.656 9.631 693 H GLU 96 H GLU 96 8.404 -12.662 9.523 694 HA GLU 96 HA GLU 96 7.611 -14.609 10.196 695 HB2 GLU 96 2HB GLU 96 7.434 -13.130 12.821 696 HB3 GLU 96 1HB GLU 96 7.437 -14.886 12.649 697 HG2 GLU 96 2HG GLU 96 9.641 -14.784 11.591 698 HG3 GLU 96 1HG GLU 96 9.640 -13.037 11.753 699 H GLY 97 H GLY 97 5.726 -13.553 8.785 700 HA2 GLY 97 2HA GLY 97 3.668 -14.440 8.207 701 HA3 GLY 97 1HA GLY 97 3.474 -14.999 9.855 702 H GLU 98 H GLU 98 4.237 -11.771 10.133 703 HA GLU 98 HA GLU 98 1.462 -11.030 9.700 704 HB2 GLU 98 2HB GLU 98 3.071 -10.153 12.109 705 HB3 GLU 98 1HB GLU 98 1.396 -9.735 11.760 706 HG2 GLU 98 2HG GLU 98 1.053 -12.304 11.706 707 HG3 GLU 98 1HG GLU 98 2.558 -12.351 12.577 708 H PHE 99 H PHE 99 1.028 -8.920 9.212 709 HA PHE 99 HA PHE 99 3.239 -7.566 7.831 710 HB2 PHE 99 2HB PHE 99 0.244 -7.217 7.474 711 HB3 PHE 99 1HB PHE 99 1.513 -6.578 6.443 712 HD1 PHE 99 1HD PHE 99 -0.414 -9.552 7.370 713 HD2 PHE 99 2HD PHE 99 2.573 -7.984 4.780 714 HE1 PHE 99 1HE PHE 99 -0.638 -11.530 5.924 715 HE2 PHE 99 2HE PHE 99 2.361 -9.959 3.333 716 HZ PHE 99 HZ PHE 99 0.753 -11.735 3.902 717 H GLU 100 H GLU 100 3.925 -5.719 8.859 718 HA GLU 100 HA GLU 100 1.959 -4.326 10.468 719 HB2 GLU 100 2HB GLU 100 3.779 -3.896 12.157 720 HB3 GLU 100 1HB GLU 100 3.177 -5.543 12.096 721 HG2 GLU 100 2HG GLU 100 5.142 -6.189 10.770 722 HG3 GLU 100 1HG GLU 100 5.734 -4.534 10.880 723 H VAL 101 H VAL 101 1.872 -2.273 10.168 724 HA VAL 101 HA VAL 101 3.852 -1.000 8.412 725 HB VAL 101 HB VAL 101 1.109 0.005 9.195 726 HG11 VAL 101 1HG1 VAL 101 2.950 0.829 6.957 727 HG12 VAL 101 2HG1 VAL 101 2.600 1.745 8.423 728 HG13 VAL 101 3HG1 VAL 101 1.326 1.460 7.236 729 HG21 VAL 101 3HG2 VAL 101 0.915 -2.120 8.027 730 HG22 VAL 101 1HG2 VAL 101 1.857 -1.483 6.685 731 HG23 VAL 101 2HG2 VAL 101 0.272 -0.790 7.052 732 H VAL 102 H VAL 102 5.202 0.379 9.401 733 HA VAL 102 HA VAL 102 4.211 1.564 11.837 734 HB VAL 102 HB VAL 102 6.588 1.776 12.635 735 HG11 VAL 102 1HG1 VAL 102 5.559 -1.029 12.219 736 HG12 VAL 102 2HG1 VAL 102 5.125 0.060 13.537 737 HG13 VAL 102 3HG1 VAL 102 6.772 -0.552 13.407 738 HG21 VAL 102 3HG2 VAL 102 8.278 0.258 11.686 739 HG22 VAL 102 1HG2 VAL 102 7.751 1.473 10.521 740 HG23 VAL 102 2HG2 VAL 102 7.146 -0.179 10.408 741 H ASP 103 H ASP 103 4.024 3.563 11.842 742 HA ASP 103 HA ASP 103 4.814 5.262 9.648 743 HB2 ASP 103 2HB ASP 103 2.630 5.491 10.864 744 HB3 ASP 103 1HB ASP 103 3.524 5.870 12.326 745 H VAL 104 H VAL 104 6.715 6.297 9.644 746 HA VAL 104 HA VAL 104 8.260 6.339 12.155 747 HB VAL 104 HB VAL 104 10.326 6.305 10.767 748 HG11 VAL 104 1HG1 VAL 104 9.469 4.236 11.713 749 HG12 VAL 104 2HG1 VAL 104 10.174 3.931 10.123 750 HG13 VAL 104 3HG1 VAL 104 8.422 4.013 10.311 751 HG21 VAL 104 3HG2 VAL 104 9.399 7.238 8.704 752 HG22 VAL 104 1HG2 VAL 104 8.419 5.791 8.478 753 HG23 VAL 104 2HG2 VAL 104 10.176 5.685 8.396 754 H GLY 105 H GLY 105 6.715 8.231 9.973 755 HA2 GLY 105 2HA GLY 105 8.033 10.592 10.981 756 HA3 GLY 105 1HA GLY 105 7.987 10.362 9.231 757 H SER 106 H SER 106 6.179 10.972 12.059 758 HA SER 106 HA SER 106 3.679 10.810 10.711 759 HB2 SER 106 2HB SER 106 4.299 11.899 13.463 760 HB3 SER 106 1HB SER 106 2.715 11.398 12.854 761 HG SER 106 HG SER 106 4.169 9.340 12.407 762 H LEU 107 H LEU 107 4.431 12.290 9.051 763 HA LEU 107 HA LEU 107 3.963 15.105 9.781 764 HB2 LEU 107 2HB LEU 107 4.963 15.818 7.758 765 HB3 LEU 107 1HB LEU 107 5.958 14.526 8.389 766 HG LEU 107 HG LEU 107 3.956 14.031 6.165 767 HD11 LEU 107 1HD1 LEU 107 5.680 14.363 4.526 768 HD12 LEU 107 2HD1 LEU 107 6.853 14.792 5.752 769 HD13 LEU 107 3HD1 LEU 107 5.468 15.845 5.452 770 HD21 LEU 107 3HD2 LEU 107 4.886 12.054 7.283 771 HD22 LEU 107 1HD2 LEU 107 6.518 12.616 6.921 772 HD23 LEU 107 2HD2 LEU 107 5.428 12.166 5.609 773 H ASN 108 H ASN 108 2.980 12.611 7.591 774 HA ASN 108 HA ASN 108 0.605 14.107 6.803 775 HB2 ASN 108 2HB ASN 108 2.137 13.088 5.128 776 HB3 ASN 108 1HB ASN 108 1.853 11.518 5.843 777 HD21 ASN 108 1HD2 ASN 108 1.475 12.466 3.121 778 HD22 ASN 108 2HD2 ASN 108 -0.164 12.182 2.758 779 H GLY 109 H GLY 109 1.798 11.540 8.774 780 HA2 GLY 109 2HA GLY 109 0.789 10.146 10.282 781 HA3 GLY 109 1HA GLY 109 -0.711 11.021 10.006 782 H THR 110 H THR 110 0.786 8.072 9.628 783 HA THR 110 HA THR 110 -0.552 7.255 7.248 784 HB THR 110 HB THR 110 0.503 5.554 9.530 785 HG1 THR 110 1HG THR 110 2.180 6.853 8.838 786 HG21 THR 110 3HG2 THR 110 0.809 3.853 7.779 787 HG22 THR 110 1HG2 THR 110 0.148 4.966 6.579 788 HG23 THR 110 2HG2 THR 110 -0.882 4.350 7.870 789 H TYR 111 H TYR 111 -2.698 6.668 7.076 790 HA TYR 111 HA TYR 111 -4.165 6.122 9.568 791 HB2 TYR 111 2HB TYR 111 -5.062 7.413 6.986 792 HB3 TYR 111 1HB TYR 111 -6.202 6.753 8.143 793 HD1 TYR 111 2HD TYR 111 -3.190 8.997 8.329 794 HD2 TYR 111 1HD TYR 111 -7.250 8.363 9.401 795 HE1 TYR 111 2HE TYR 111 -3.201 11.144 9.524 796 HE2 TYR 111 1HE TYR 111 -7.272 10.506 10.594 797 HH TYR 111 HH TYR 111 -5.683 12.026 11.658 798 H VAL 112 H VAL 112 -4.957 4.186 9.782 799 HA VAL 112 HA VAL 112 -5.419 2.504 7.410 800 HB VAL 112 HB VAL 112 -4.284 1.522 10.054 801 HG11 VAL 112 1HG1 VAL 112 -5.619 -0.152 8.939 802 HG12 VAL 112 2HG1 VAL 112 -3.916 -0.607 8.869 803 HG13 VAL 112 3HG1 VAL 112 -4.705 0.075 7.447 804 HG21 VAL 112 3HG2 VAL 112 -2.562 2.811 8.906 805 HG22 VAL 112 1HG2 VAL 112 -2.821 1.882 7.429 806 HG23 VAL 112 2HG2 VAL 112 -2.163 1.094 8.862 807 H ASN 113 H ASN 113 -7.439 1.717 7.421 808 HA ASN 113 HA ASN 113 -9.605 1.294 8.022 809 HB2 ASN 113 2HB ASN 113 -8.371 -0.468 9.445 810 HB3 ASN 113 1HB ASN 113 -8.499 0.650 10.793 811 HD21 ASN 113 1HD2 ASN 113 -10.178 -1.574 8.743 812 HD22 ASN 113 2HD2 ASN 113 -11.666 -1.614 9.634 813 H ARG 114 H ARG 114 -9.014 3.778 7.904 814 HA ARG 114 HA ARG 114 -9.522 5.903 8.380 815 HB2 ARG 114 2HB ARG 114 -11.611 4.622 10.119 816 HB3 ARG 114 1HB ARG 114 -11.535 6.339 9.792 817 HG2 ARG 114 2HG ARG 114 -11.887 4.202 7.701 818 HG3 ARG 114 1HG ARG 114 -13.195 5.135 8.420 819 HD2 ARG 114 2HD ARG 114 -12.768 6.238 6.407 820 HD3 ARG 114 1HD ARG 114 -11.902 7.198 7.598 821 HE ARG 114 HE ARG 114 -10.352 5.148 6.238 822 HH11 ARG 114 1HH1 ARG 114 -11.045 8.623 6.515 823 HH12 ARG 114 2HH1 ARG 114 -9.950 9.051 5.277 824 HH21 ARG 114 1HH2 ARG 114 -8.948 5.763 4.556 825 HH22 ARG 114 2HH2 ARG 114 -8.727 7.433 4.161 826 H GLU 115 H GLU 115 -7.795 4.256 10.546 827 HA GLU 115 HA GLU 115 -7.898 6.470 12.456 828 HB2 GLU 115 2HB GLU 115 -7.323 3.580 12.921 829 HB3 GLU 115 1HB GLU 115 -6.769 4.806 14.044 830 HG2 GLU 115 2HG GLU 115 -9.075 5.540 14.362 831 HG3 GLU 115 1HG GLU 115 -9.616 4.290 13.242 832 HA PRO 116 HA PRO 116 -3.625 7.167 11.428 833 HB2 PRO 116 2HB PRO 116 -3.201 9.145 13.236 834 HB3 PRO 116 1HB PRO 116 -4.065 9.435 11.724 835 HG2 PRO 116 2HG PRO 116 -5.131 9.127 14.484 836 HG3 PRO 116 1HG PRO 116 -5.718 10.137 13.155 837 HD2 PRO 116 2HD PRO 116 -6.818 7.708 13.923 838 HD3 PRO 116 1HD PRO 116 -7.048 8.483 12.344 839 H ARG 117 H ARG 117 -2.092 5.857 12.243 840 HA ARG 117 HA ARG 117 -1.781 5.673 15.102 841 HB2 ARG 117 2HB ARG 117 -3.538 3.980 14.428 842 HB3 ARG 117 1HB ARG 117 -2.308 3.187 13.462 843 HG2 ARG 117 2HG ARG 117 -1.023 2.697 15.410 844 HG3 ARG 117 1HG ARG 117 -2.136 3.615 16.430 845 HD2 ARG 117 2HD ARG 117 -2.782 1.154 14.839 846 HD3 ARG 117 1HD ARG 117 -2.514 1.197 16.579 847 HE ARG 117 HE ARG 117 -4.553 3.008 15.919 848 HH11 ARG 117 1HH1 ARG 117 -4.003 -0.477 16.130 849 HH12 ARG 117 2HH1 ARG 117 -5.640 -0.846 16.426 850 HH21 ARG 117 1HH2 ARG 117 -6.868 2.441 16.309 851 HH22 ARG 117 2HH2 ARG 117 -7.231 0.800 16.518 852 H ASN 118 H ASN 118 0.267 4.503 15.614 853 HA ASN 118 HA ASN 118 2.061 5.092 13.428 854 HB2 ASN 118 2HB ASN 118 2.605 4.923 16.378 855 HB3 ASN 118 1HB ASN 118 3.913 4.904 15.199 856 HD21 ASN 118 1HD2 ASN 118 4.308 6.747 13.963 857 HD22 ASN 118 2HD2 ASN 118 3.654 8.286 14.340 858 H ALA 119 H ALA 119 1.343 2.401 15.560 859 HA ALA 119 HA ALA 119 2.735 0.788 13.540 860 HB1 ALA 119 1HB ALA 119 2.345 0.203 16.487 861 HB2 ALA 119 2HB ALA 119 3.872 0.634 15.713 862 HB3 ALA 119 3HB ALA 119 3.083 -0.894 15.321 863 H GLN 120 H GLN 120 1.474 -0.703 12.587 864 HA GLN 120 HA GLN 120 -1.037 -1.469 13.832 865 HB2 GLN 120 2HB GLN 120 -1.664 0.587 12.684 866 HB3 GLN 120 1HB GLN 120 -0.954 0.008 11.188 867 HG2 GLN 120 2HG GLN 120 -3.401 -0.164 11.182 868 HG3 GLN 120 1HG GLN 120 -2.628 -1.741 11.031 869 HE21 GLN 120 1HE2 GLN 120 -4.299 -2.912 11.842 870 HE22 GLN 120 2HE2 GLN 120 -4.817 -2.819 13.493 871 H VAL 121 H VAL 121 -1.790 -3.398 13.157 872 HA VAL 121 HA VAL 121 -0.135 -4.985 11.410 873 HB VAL 121 HB VAL 121 -2.787 -5.679 12.737 874 HG11 VAL 121 1HG1 VAL 121 -2.267 -7.131 10.847 875 HG12 VAL 121 2HG1 VAL 121 -2.129 -8.019 12.365 876 HG13 VAL 121 3HG1 VAL 121 -0.677 -7.474 11.529 877 HG21 VAL 121 3HG2 VAL 121 -1.467 -6.840 14.442 878 HG22 VAL 121 1HG2 VAL 121 -1.101 -5.118 14.405 879 HG23 VAL 121 2HG2 VAL 121 0.020 -6.268 13.682 880 H MET 122 H MET 122 -0.506 -5.166 9.325 881 HA MET 122 HA MET 122 -2.816 -3.799 8.164 882 HB2 MET 122 2HB MET 122 -0.585 -3.216 7.375 883 HB3 MET 122 1HB MET 122 -0.266 -4.893 6.973 884 HG2 MET 122 2HG MET 122 -1.902 -4.805 5.215 885 HG3 MET 122 1HG MET 122 -2.356 -3.165 5.684 886 HE1 MET 122 3HE MET 122 1.831 -4.210 3.998 887 HE2 MET 122 1HE MET 122 0.611 -5.419 4.378 888 HE3 MET 122 2HE MET 122 1.393 -4.507 5.678 889 H GLN 123 H GLN 123 -4.466 -4.928 7.198 890 HA GLN 123 HA GLN 123 -4.166 -7.850 7.032 891 HB2 GLN 123 2HB GLN 123 -6.648 -6.444 7.983 892 HB3 GLN 123 1HB GLN 123 -6.219 -8.142 8.155 893 HG2 GLN 123 2HG GLN 123 -4.476 -7.553 9.762 894 HG3 GLN 123 1HG GLN 123 -4.855 -5.849 9.553 895 HE21 GLN 123 1HE2 GLN 123 -6.857 -5.111 10.275 896 HE22 GLN 123 2HE2 GLN 123 -7.691 -5.942 11.543 897 H THR 124 H THR 124 -5.525 -8.807 5.402 898 HA THR 124 HA THR 124 -5.916 -7.214 3.128 899 HB THR 124 HB THR 124 -5.500 -9.668 3.006 900 HG1 THR 124 1HG THR 124 -7.868 -9.758 1.729 901 HG21 THR 124 3HG2 THR 124 -8.332 -9.924 4.025 902 HG22 THR 124 1HG2 THR 124 -6.861 -10.428 4.854 903 HG23 THR 124 2HG2 THR 124 -7.366 -11.253 3.377 904 H GLY 125 H GLY 125 -7.584 -6.095 2.384 905 HA2 GLY 125 2HA GLY 125 -9.879 -5.609 2.114 906 HA3 GLY 125 1HA GLY 125 -10.202 -6.378 3.660 907 H ASP 126 H ASP 126 -7.626 -4.726 4.494 908 HA ASP 126 HA ASP 126 -9.198 -2.525 5.485 909 HB2 ASP 126 2HB ASP 126 -6.504 -3.583 6.183 910 HB3 ASP 126 1HB ASP 126 -6.810 -1.875 6.479 911 H GLU 127 H GLU 127 -8.631 -0.358 5.346 912 HA GLU 127 HA GLU 127 -7.306 0.228 2.828 913 HB2 GLU 127 2HB GLU 127 -8.802 2.158 2.567 914 HB3 GLU 127 1HB GLU 127 -9.701 0.663 2.684 915 HG2 GLU 127 2HG GLU 127 -10.979 2.111 3.952 916 HG3 GLU 127 1HG GLU 127 -10.000 1.327 5.184 917 H ILE 128 H ILE 128 -5.966 1.952 2.716 918 HA ILE 128 HA ILE 128 -5.087 3.135 5.254 919 HB ILE 128 HB ILE 128 -3.296 2.165 2.990 920 HG12 ILE 128 2HG1 ILE 128 -3.671 0.956 5.748 921 HG13 ILE 128 1HG1 ILE 128 -4.277 0.270 4.250 922 HG21 ILE 128 1HG2 ILE 128 -1.439 2.656 4.535 923 HG22 ILE 128 2HG2 ILE 128 -2.597 3.280 5.711 924 HG23 ILE 128 3HG2 ILE 128 -2.389 4.094 4.165 925 HD11 ILE 128 3HD1 ILE 128 -2.266 -0.867 4.982 926 HD12 ILE 128 1HD1 ILE 128 -1.381 0.658 4.974 927 HD13 ILE 128 2HD1 ILE 128 -1.978 -0.018 3.459 928 H GLN 129 H GLN 129 -4.871 5.314 5.071 929 HA GLN 129 HA GLN 129 -4.848 6.393 2.346 930 HB2 GLN 129 2HB GLN 129 -6.994 6.906 3.509 931 HB3 GLN 129 1HB GLN 129 -6.087 7.766 4.746 932 HG2 GLN 129 2HG GLN 129 -5.314 9.395 3.100 933 HG3 GLN 129 1HG GLN 129 -6.116 8.505 1.817 934 HE21 GLN 129 1HE2 GLN 129 -6.485 11.289 2.632 935 HE22 GLN 129 2HE2 GLN 129 -8.138 11.477 2.994 936 H ILE 130 H ILE 130 -3.287 7.634 1.799 937 HA ILE 130 HA ILE 130 -1.579 8.796 3.869 938 HB ILE 130 HB ILE 130 -0.729 7.875 1.078 939 HG12 ILE 130 2HG1 ILE 130 0.980 6.480 2.444 940 HG13 ILE 130 1HG1 ILE 130 -0.090 6.758 3.809 941 HG21 ILE 130 1HG2 ILE 130 0.402 9.925 1.651 942 HG22 ILE 130 2HG2 ILE 130 1.541 8.580 1.674 943 HG23 ILE 130 3HG2 ILE 130 0.929 9.241 3.190 944 HD11 ILE 130 3HD1 ILE 130 -0.774 5.344 1.248 945 HD12 ILE 130 1HD1 ILE 130 -1.895 5.645 2.579 946 HD13 ILE 130 2HD1 ILE 130 -0.495 4.602 2.824 947 H GLY 131 H GLY 131 -2.142 10.839 3.941 948 HA2 GLY 131 2HA GLY 131 -2.596 12.960 3.327 949 HA3 GLY 131 1HA GLY 131 -1.826 12.582 1.797 950 H LYS 132 H LYS 132 -3.013 12.488 0.066 951 HA LYS 132 HA LYS 132 -5.879 13.023 0.394 952 HB2 LYS 132 2HB LYS 132 -4.204 13.374 -2.080 953 HB3 LYS 132 1HB LYS 132 -5.813 14.001 -1.773 954 HG2 LYS 132 2HG LYS 132 -3.256 14.877 -0.452 955 HG3 LYS 132 1HG LYS 132 -4.196 15.772 -1.643 956 HD2 LYS 132 2HD LYS 132 -6.079 15.794 -0.022 957 HD3 LYS 132 1HD LYS 132 -4.997 15.064 1.170 958 HE2 LYS 132 2HE LYS 132 -4.979 17.417 1.552 959 HE3 LYS 132 1HE LYS 132 -3.447 16.975 0.817 960 HZ1 LYS 132 3HZ LYS 132 -4.256 17.748 -1.330 961 HZ2 LYS 132 1HZ LYS 132 -4.358 18.978 -0.190 962 HZ3 LYS 132 2HZ LYS 132 -5.747 18.154 -0.653 963 H PHE 133 H PHE 133 -3.991 10.341 -0.185 964 HA PHE 133 HA PHE 133 -5.970 9.333 -2.050 965 HB2 PHE 133 2HB PHE 133 -4.172 8.017 -3.172 966 HB3 PHE 133 1HB PHE 133 -4.143 9.759 -3.416 967 HD1 PHE 133 2HD PHE 133 -2.398 11.107 -2.418 968 HD2 PHE 133 1HD PHE 133 -2.427 6.891 -2.074 969 HE1 PHE 133 2HE PHE 133 -0.036 11.153 -1.780 970 HE2 PHE 133 1HE PHE 133 -0.060 6.923 -1.436 971 HZ PHE 133 HZ PHE 133 1.140 9.092 -1.300 972 H ARG 134 H ARG 134 -6.421 7.151 -2.111 973 HA ARG 134 HA ARG 134 -6.014 5.864 0.502 974 HB2 ARG 134 2HB ARG 134 -8.526 5.916 -1.184 975 HB3 ARG 134 1HB ARG 134 -8.343 5.080 0.357 976 HG2 ARG 134 2HG ARG 134 -8.010 7.158 1.510 977 HG3 ARG 134 1HG ARG 134 -7.993 8.045 -0.004 978 HD2 ARG 134 2HD ARG 134 -10.352 7.407 -0.361 979 HD3 ARG 134 1HD ARG 134 -10.335 6.585 1.204 980 HE ARG 134 HE ARG 134 -9.502 8.994 1.908 981 HH11 ARG 134 1HH1 ARG 134 -12.311 8.053 -0.034 982 HH12 ARG 134 2HH1 ARG 134 -13.154 9.485 0.251 983 HH21 ARG 134 1HH2 ARG 134 -10.690 11.043 2.276 984 HH22 ARG 134 2HH2 ARG 134 -12.206 11.201 1.566 985 H LEU 135 H LEU 135 -5.431 3.820 0.514 986 HA LEU 135 HA LEU 135 -5.321 2.293 -1.994 987 HB2 LEU 135 2HB LEU 135 -3.335 2.232 0.294 988 HB3 LEU 135 1HB LEU 135 -3.281 1.223 -1.126 989 HG LEU 135 HG LEU 135 -2.915 3.381 -2.451 990 HD11 LEU 135 1HD1 LEU 135 -3.599 5.028 -0.873 991 HD12 LEU 135 2HD1 LEU 135 -1.858 5.216 -1.161 992 HD13 LEU 135 3HD1 LEU 135 -2.438 4.440 0.309 993 HD21 LEU 135 3HD2 LEU 135 -1.147 1.777 -2.045 994 HD22 LEU 135 1HD2 LEU 135 -0.839 2.493 -0.464 995 HD23 LEU 135 2HD2 LEU 135 -0.521 3.422 -1.930 996 H VAL 136 H VAL 136 -5.942 0.176 -1.819 997 HA VAL 136 HA VAL 136 -6.841 -0.699 0.840 998 HB VAL 136 HB VAL 136 -7.972 -1.508 -1.871 999 HG11 VAL 136 1HG1 VAL 136 -8.812 -2.374 0.905 1000 HG12 VAL 136 2HG1 VAL 136 -8.009 -3.390 -0.290 1001 HG13 VAL 136 3HG1 VAL 136 -9.639 -2.787 -0.599 1002 HG21 VAL 136 3HG2 VAL 136 -8.652 0.718 -1.141 1003 HG22 VAL 136 1HG2 VAL 136 -9.212 0.047 0.390 1004 HG23 VAL 136 2HG2 VAL 136 -10.003 -0.415 -1.121 1005 H PHE 137 H PHE 137 -6.008 -2.490 1.618 1006 HA PHE 137 HA PHE 137 -3.862 -3.730 0.093 1007 HB2 PHE 137 2HB PHE 137 -3.260 -2.883 2.252 1008 HB3 PHE 137 1HB PHE 137 -4.595 -3.726 3.015 1009 HD1 PHE 137 1HD PHE 137 -1.381 -4.283 1.224 1010 HD2 PHE 137 2HD PHE 137 -4.297 -5.848 3.883 1011 HE1 PHE 137 1HE PHE 137 0.101 -6.148 1.764 1012 HE2 PHE 137 2HE PHE 137 -2.814 -7.717 4.424 1013 HZ PHE 137 HZ PHE 137 -0.613 -7.869 3.370 1014 H LEU 138 H LEU 138 -3.931 -5.792 -0.619 1015 HA LEU 138 HA LEU 138 -6.053 -7.529 0.383 1016 HB2 LEU 138 2HB LEU 138 -5.033 -7.340 -2.467 1017 HB3 LEU 138 1HB LEU 138 -6.053 -8.623 -1.875 1018 HG LEU 138 HG LEU 138 -7.799 -6.794 -1.411 1019 HD11 LEU 138 1HD1 LEU 138 -6.356 -4.852 -1.567 1020 HD12 LEU 138 2HD1 LEU 138 -7.651 -4.779 -2.764 1021 HD13 LEU 138 3HD1 LEU 138 -6.019 -5.221 -3.257 1022 HD21 LEU 138 3HD2 LEU 138 -8.011 -8.409 -3.207 1023 HD22 LEU 138 1HD2 LEU 138 -6.991 -7.413 -4.245 1024 HD23 LEU 138 2HD2 LEU 138 -8.573 -6.822 -3.734 1025 H ALA 139 H ALA 139 -5.482 -9.749 0.374 1026 HA ALA 139 HA ALA 139 -2.725 -10.232 0.980 1027 HB1 ALA 139 1HB ALA 139 -5.015 -12.173 0.648 1028 HB2 ALA 139 2HB ALA 139 -4.511 -11.432 2.166 1029 HB3 ALA 139 3HB ALA 139 -3.439 -12.559 1.337 1030 H GLY 140 H GLY 140 -1.280 -11.591 -0.207 1031 HA2 GLY 140 2HA GLY 140 -1.539 -11.238 -3.014 1032 HA3 GLY 140 1HA GLY 140 -0.205 -12.008 -2.163 1033 HA PRO 141 HA PRO 141 -3.611 -14.983 -3.993 1034 HB2 PRO 141 2HB PRO 141 -2.735 -15.266 -6.554 1035 HB3 PRO 141 1HB PRO 141 -4.014 -14.153 -6.071 1036 HG2 PRO 141 2HG PRO 141 -1.108 -13.613 -6.560 1037 HG3 PRO 141 1HG PRO 141 -2.515 -12.659 -7.065 1038 HD2 PRO 141 2HD PRO 141 -1.032 -11.962 -4.950 1039 HD3 PRO 141 1HD PRO 141 -2.796 -11.734 -4.965 1040 H ALA 142 H ALA 142 -3.214 -17.140 -4.453 1041 HA ALA 142 HA ALA 142 -0.404 -17.885 -4.116 1042 HB1 ALA 142 1HB ALA 142 -1.621 -18.184 -2.001 1043 HB2 ALA 142 2HB ALA 142 -1.035 -19.716 -2.650 1044 HB3 ALA 142 3HB ALA 142 -2.734 -19.285 -2.813 1045 H GLU 143 H GLU 143 -0.817 -17.842 -6.575 1046 HA GLU 143 HA GLU 143 -1.845 -20.335 -7.504 1047 HB2 GLU 143 2HB GLU 143 -0.622 -17.905 -8.762 1048 HB3 GLU 143 1HB GLU 143 -0.743 -19.397 -9.654 1049 HG2 GLU 143 2HG GLU 143 -2.598 -18.053 -10.294 1050 HG3 GLU 143 1HG GLU 143 -3.236 -19.300 -9.236 Start of MODEL 24 1 H1 MET 1 1HT MET 1 27.476 16.988 -17.963 2 H2 MET 1 2HT MET 1 26.992 18.476 -18.605 3 H3 MET 1 3HT MET 1 25.867 17.425 -17.908 4 HA MET 1 HA MET 1 28.055 18.643 -16.428 5 HB2 MET 1 2HB MET 1 25.114 19.385 -16.532 6 HB3 MET 1 1HB MET 1 26.219 19.960 -15.298 7 HG2 MET 1 2HG MET 1 25.906 21.678 -16.949 8 HG3 MET 1 1HG MET 1 27.552 21.068 -17.058 9 HE1 MET 1 2HE MET 1 27.841 22.244 -19.420 10 HE2 MET 1 3HE MET 1 26.191 22.856 -19.321 11 HE3 MET 1 1HE MET 1 26.734 22.014 -20.770 12 H SER 2 H SER 2 28.614 16.913 -15.280 13 HA SER 2 HA SER 2 26.624 15.049 -14.355 14 HB2 SER 2 2HB SER 2 29.608 15.067 -13.929 15 HB3 SER 2 1HB SER 2 28.509 13.711 -13.668 16 HG SER 2 HG SER 2 28.060 14.591 -16.083 17 H ASP 3 H ASP 3 25.927 14.793 -12.340 18 HA ASP 3 HA ASP 3 26.449 16.850 -10.410 19 HB2 ASP 3 2HB ASP 3 24.689 14.399 -10.368 20 HB3 ASP 3 1HB ASP 3 24.913 15.421 -8.961 21 H ASN 4 H ASN 4 28.378 16.711 -9.514 22 HA ASN 4 HA ASN 4 29.079 14.196 -8.172 23 HB2 ASN 4 2HB ASN 4 30.473 14.673 -10.277 24 HB3 ASN 4 1HB ASN 4 31.049 16.118 -9.463 25 HD21 ASN 4 1HD2 ASN 4 32.539 13.818 -10.432 26 HD22 ASN 4 2HD2 ASN 4 33.368 13.169 -9.077 27 H ASN 5 H ASN 5 29.986 14.584 -6.089 28 HA ASN 5 HA ASN 5 30.273 17.300 -5.265 29 HB2 ASN 5 2HB ASN 5 28.648 17.346 -3.470 30 HB3 ASN 5 1HB ASN 5 27.812 16.951 -4.953 31 HD21 ASN 5 1HD2 ASN 5 28.298 14.175 -5.060 32 HD22 ASN 5 2HD2 ASN 5 27.491 13.435 -3.733 33 H GLY 6 H GLY 6 30.786 17.325 -2.802 34 HA2 GLY 6 2HA GLY 6 33.054 15.627 -2.528 35 HA3 GLY 6 1HA GLY 6 32.482 16.781 -1.333 36 H THR 7 H THR 7 30.430 16.025 -0.189 37 HA THR 7 HA THR 7 30.580 13.144 0.189 38 HB THR 7 HB THR 7 30.436 15.245 2.364 39 HG1 THR 7 1HG THR 7 32.430 13.340 1.663 40 HG21 THR 7 3HG2 THR 7 30.593 13.325 3.918 41 HG22 THR 7 1HG2 THR 7 30.476 12.216 2.555 42 HG23 THR 7 2HG2 THR 7 29.113 13.257 2.962 43 HA PRO 8 HA PRO 8 26.155 13.856 -0.443 44 HB2 PRO 8 2HB PRO 8 26.100 10.910 -0.307 45 HB3 PRO 8 1HB PRO 8 25.535 11.970 -1.600 46 HG2 PRO 8 2HG PRO 8 27.733 10.438 -1.861 47 HG3 PRO 8 1HG PRO 8 27.599 12.028 -2.632 48 HD2 PRO 8 2HD PRO 8 29.072 11.231 -0.159 49 HD3 PRO 8 1HD PRO 8 29.538 12.379 -1.436 50 H GLU 9 H GLU 9 24.812 14.104 1.240 51 HA GLU 9 HA GLU 9 25.362 12.597 3.698 52 HB2 GLU 9 2HB GLU 9 23.942 15.249 3.367 53 HB3 GLU 9 1HB GLU 9 24.261 14.428 4.882 54 HG2 GLU 9 2HG GLU 9 26.675 14.705 4.492 55 HG3 GLU 9 1HG GLU 9 26.308 15.598 3.017 56 HA PRO 10 HA PRO 10 21.271 10.653 3.497 57 HB2 PRO 10 2HB PRO 10 21.118 11.729 6.297 58 HB3 PRO 10 1HB PRO 10 20.717 10.109 5.713 59 HG2 PRO 10 2HG PRO 10 22.993 10.552 7.028 60 HG3 PRO 10 1HG PRO 10 22.937 9.434 5.658 61 HD2 PRO 10 2HD PRO 10 24.098 12.163 5.824 62 HD3 PRO 10 1HD PRO 10 24.572 10.792 4.804 63 H GLN 11 H GLN 11 19.539 11.733 2.598 64 HA GLN 11 HA GLN 11 19.656 14.596 2.938 65 HB2 GLN 11 2HB GLN 11 18.267 14.725 0.902 66 HB3 GLN 11 1HB GLN 11 19.781 13.876 0.658 67 HG2 GLN 11 2HG GLN 11 18.616 11.746 0.738 68 HG3 GLN 11 1HG GLN 11 17.084 12.578 1.026 69 HE21 GLN 11 1HE2 GLN 11 16.146 13.715 -0.679 70 HE22 GLN 11 2HE2 GLN 11 16.645 13.470 -2.318 71 H VAL 12 H VAL 12 18.206 15.802 3.766 72 HA VAL 12 HA VAL 12 15.768 14.565 4.789 73 HB VAL 12 HB VAL 12 17.143 17.142 5.625 74 HG11 VAL 12 1HG1 VAL 12 14.838 15.670 6.890 75 HG12 VAL 12 2HG1 VAL 12 14.742 17.183 5.988 76 HG13 VAL 12 3HG1 VAL 12 15.607 17.126 7.523 77 HG21 VAL 12 3HG2 VAL 12 17.096 14.483 7.046 78 HG22 VAL 12 1HG2 VAL 12 17.774 15.976 7.689 79 HG23 VAL 12 2HG2 VAL 12 18.500 15.218 6.272 80 H GLU 13 H GLU 13 14.040 15.166 3.711 81 HA GLU 13 HA GLU 13 14.269 17.558 2.074 82 HB2 GLU 13 2HB GLU 13 14.136 15.454 0.760 83 HB3 GLU 13 1HB GLU 13 12.604 15.084 1.532 84 HG2 GLU 13 2HG GLU 13 12.392 16.005 -0.763 85 HG3 GLU 13 1HG GLU 13 11.545 16.925 0.481 86 H THR 14 H THR 14 12.294 18.720 1.789 87 HA THR 14 HA THR 14 11.283 19.351 4.331 88 HB THR 14 HB THR 14 10.562 20.373 1.585 89 HG1 THR 14 1HG THR 14 12.793 20.487 2.955 90 HG21 THR 14 3HG2 THR 14 9.824 22.388 2.757 91 HG22 THR 14 1HG2 THR 14 10.224 21.654 4.308 92 HG23 THR 14 2HG2 THR 14 8.914 20.991 3.332 93 H TPO 15 H TPO 15 9.756 18.111 5.286 94 HA TPO 15 HA TPO 15 7.440 17.309 3.697 95 HB TPO 15 HB TPO 15 8.347 16.440 6.464 96 HG21 TPO 15 1HG2 TPO 15 5.818 15.655 4.985 97 HG22 TPO 15 2HG2 TPO 15 5.890 16.637 6.448 98 HG23 TPO 15 3HG2 TPO 15 6.378 14.943 6.498 99 H SER 16 H SER 16 5.870 18.699 3.692 100 HA SER 16 HA SER 16 5.299 20.421 5.953 101 HB2 SER 16 2HB SER 16 3.988 20.206 3.220 102 HB3 SER 16 1HB SER 16 3.827 21.534 4.373 103 HG SER 16 HG SER 16 6.253 21.615 4.105 104 H VAL 17 H VAL 17 3.079 20.230 6.848 105 HA VAL 17 HA VAL 17 2.259 17.460 6.865 106 HB VAL 17 HB VAL 17 1.124 19.846 8.363 107 HG11 VAL 17 1HG1 VAL 17 0.002 18.201 9.796 108 HG12 VAL 17 2HG1 VAL 17 0.586 16.904 8.753 109 HG13 VAL 17 3HG1 VAL 17 -0.549 18.096 8.122 110 HG21 VAL 17 3HG2 VAL 17 3.397 19.381 9.033 111 HG22 VAL 17 1HG2 VAL 17 3.007 17.674 9.228 112 HG23 VAL 17 2HG2 VAL 17 2.291 18.871 10.310 113 H PHE 18 H PHE 18 0.968 16.725 5.384 114 HA PHE 18 HA PHE 18 -1.146 18.476 4.419 115 HB2 PHE 18 2HB PHE 18 -0.979 17.516 2.171 116 HB3 PHE 18 1HB PHE 18 0.546 18.238 2.648 117 HD1 PHE 18 2HD PHE 18 2.465 16.754 3.233 118 HD2 PHE 18 1HD PHE 18 -1.170 15.226 1.634 119 HE1 PHE 18 2HE PHE 18 3.600 14.659 2.645 120 HE2 PHE 18 1HE PHE 18 -0.035 13.129 1.042 121 HZ PHE 18 HZ PHE 18 2.348 12.842 1.550 122 H ARG 19 H ARG 19 -3.028 17.802 4.890 123 HA ARG 19 HA ARG 19 -3.644 14.951 4.751 124 HB2 ARG 19 2HB ARG 19 -4.746 16.865 6.843 125 HB3 ARG 19 1HB ARG 19 -5.120 15.156 6.688 126 HG2 ARG 19 2HG ARG 19 -2.823 14.593 7.273 127 HG3 ARG 19 1HG ARG 19 -2.441 16.308 7.420 128 HD2 ARG 19 2HD ARG 19 -4.196 16.477 9.177 129 HD3 ARG 19 1HD ARG 19 -4.390 14.726 9.074 130 HE ARG 19 HE ARG 19 -1.724 15.171 9.469 131 HH11 ARG 19 1HH1 ARG 19 -4.717 15.693 11.244 132 HH12 ARG 19 2HH1 ARG 19 -4.004 15.786 12.777 133 HH21 ARG 19 1HH2 ARG 19 -0.693 15.268 11.539 134 HH22 ARG 19 2HH2 ARG 19 -1.602 15.489 12.963 135 H ALA 20 H ALA 20 -4.629 15.162 2.818 136 HA ALA 20 HA ALA 20 -6.393 17.493 2.494 137 HB1 ALA 20 1HB ALA 20 -5.912 17.397 0.114 138 HB2 ALA 20 2HB ALA 20 -4.892 15.978 0.385 139 HB3 ALA 20 3HB ALA 20 -4.441 17.534 1.074 140 H ASP 21 H ASP 21 -6.857 14.433 3.223 141 HA ASP 21 HA ASP 21 -9.010 14.166 1.265 142 HB2 ASP 21 2HB ASP 21 -7.297 12.291 1.399 143 HB3 ASP 21 1HB ASP 21 -8.025 11.861 2.946 144 H LEU 22 H LEU 22 -8.929 15.569 4.135 145 HA LEU 22 HA LEU 22 -10.510 14.107 5.846 146 HB2 LEU 22 2HB LEU 22 -9.964 17.002 5.465 147 HB3 LEU 22 1HB LEU 22 -11.145 16.490 6.649 148 HG LEU 22 HG LEU 22 -8.928 17.004 7.505 149 HD11 LEU 22 1HD1 LEU 22 -10.441 15.541 8.769 150 HD12 LEU 22 2HD1 LEU 22 -8.779 15.002 8.996 151 HD13 LEU 22 3HD1 LEU 22 -9.839 14.132 7.892 152 HD21 LEU 22 3HD2 LEU 22 -7.115 15.348 7.314 153 HD22 LEU 22 1HD2 LEU 22 -7.488 16.146 5.786 154 HD23 LEU 22 2HD2 LEU 22 -8.056 14.501 6.082 155 H LEU 23 H LEU 23 -11.501 16.124 3.173 156 HA LEU 23 HA LEU 23 -14.266 16.197 3.815 157 HB2 LEU 23 2HB LEU 23 -13.230 17.747 2.211 158 HB3 LEU 23 1HB LEU 23 -12.903 16.414 1.126 159 HG LEU 23 HG LEU 23 -15.345 16.074 0.852 160 HD11 LEU 23 1HD1 LEU 23 -15.578 18.609 2.461 161 HD12 LEU 23 2HD1 LEU 23 -16.134 17.006 2.947 162 HD13 LEU 23 3HD1 LEU 23 -16.888 17.824 1.581 163 HD21 LEU 23 3HD2 LEU 23 -14.348 18.845 0.205 164 HD22 LEU 23 1HD2 LEU 23 -15.716 18.040 -0.560 165 HD23 LEU 23 2HD2 LEU 23 -14.087 17.397 -0.767 166 H LYS 24 H LYS 24 -12.253 13.894 2.068 167 HA LYS 24 HA LYS 24 -14.612 12.375 1.307 168 HB2 LYS 24 2HB LYS 24 -11.720 11.908 0.569 169 HB3 LYS 24 1HB LYS 24 -13.090 10.994 -0.046 170 HG2 LYS 24 2HG LYS 24 -12.586 13.932 -0.476 171 HG3 LYS 24 1HG LYS 24 -12.348 12.647 -1.662 172 HD2 LYS 24 2HD LYS 24 -14.704 12.176 -1.710 173 HD3 LYS 24 1HD LYS 24 -15.005 13.283 -0.372 174 HE2 LYS 24 2HE LYS 24 -15.638 14.318 -2.442 175 HE3 LYS 24 1HE LYS 24 -14.254 15.147 -1.750 176 HZ1 LYS 24 3HZ LYS 24 -14.187 13.212 -4.003 177 HZ2 LYS 24 1HZ LYS 24 -12.828 13.939 -3.300 178 HZ3 LYS 24 2HZ LYS 24 -13.972 14.888 -4.070 179 H GLU 25 H GLU 25 -11.983 12.261 3.520 180 HA GLU 25 HA GLU 25 -12.282 9.622 4.391 181 HB2 GLU 25 2HB GLU 25 -10.424 11.288 4.981 182 HB3 GLU 25 1HB GLU 25 -11.548 12.021 6.105 183 HG2 GLU 25 2HG GLU 25 -10.690 9.139 6.297 184 HG3 GLU 25 1HG GLU 25 -9.817 10.447 7.072 185 H MET 26 H MET 26 -13.851 12.655 5.375 186 HA MET 26 HA MET 26 -15.601 11.485 7.242 187 HB2 MET 26 2HB MET 26 -15.830 14.033 5.660 188 HB3 MET 26 1HB MET 26 -17.074 13.533 6.792 189 HG2 MET 26 2HG MET 26 -15.389 13.511 8.587 190 HG3 MET 26 1HG MET 26 -14.190 14.094 7.435 191 HE1 MET 26 3HE MET 26 -14.880 17.165 9.780 192 HE2 MET 26 1HE MET 26 -13.665 16.040 9.172 193 HE3 MET 26 2HE MET 26 -14.937 15.468 10.254 194 H GLU 27 H GLU 27 -15.874 11.856 3.793 195 HA GLU 27 HA GLU 27 -18.542 10.954 3.519 196 HB2 GLU 27 2HB GLU 27 -17.176 12.102 1.749 197 HB3 GLU 27 1HB GLU 27 -16.225 10.642 1.601 198 HG2 GLU 27 2HG GLU 27 -18.222 9.425 0.883 199 HG3 GLU 27 1HG GLU 27 -19.155 10.917 0.997 200 H SER 28 H SER 28 -15.425 9.340 3.469 201 HA SER 28 HA SER 28 -16.375 6.710 3.012 202 HB2 SER 28 2HB SER 28 -13.679 7.629 4.026 203 HB3 SER 28 1HB SER 28 -14.051 6.050 3.332 204 HG SER 28 HG SER 28 -13.991 8.578 2.098 205 H SER 29 H SER 29 -16.364 8.615 5.791 206 HA SER 29 HA SER 29 -15.927 6.676 7.789 207 HB2 SER 29 2HB SER 29 -17.618 9.180 7.897 208 HB3 SER 29 1HB SER 29 -17.047 8.267 9.296 209 HG SER 29 HG SER 29 -15.053 9.007 7.503 210 H THR 30 H THR 30 -18.531 7.170 5.616 211 HA THR 30 HA THR 30 -20.701 6.039 6.915 212 HB THR 30 HB THR 30 -19.877 5.729 4.007 213 HG1 THR 30 1HG THR 30 -20.060 7.824 4.056 214 HG21 THR 30 3HG2 THR 30 -21.779 4.301 4.685 215 HG22 THR 30 1HG2 THR 30 -22.291 5.579 3.581 216 HG23 THR 30 2HG2 THR 30 -22.616 5.728 5.305 217 H GLY 31 H GLY 31 -20.855 4.106 7.811 218 HA2 GLY 31 2HA GLY 31 -18.796 2.265 7.927 219 HA3 GLY 31 1HA GLY 31 -20.437 2.003 8.476 220 H THR 32 H THR 32 -18.092 0.898 6.576 221 HA THR 32 HA THR 32 -19.984 -0.616 4.973 222 HB THR 32 HB THR 32 -18.534 0.694 3.471 223 HG1 THR 32 1HG THR 32 -17.271 -1.709 3.105 224 HG21 THR 32 3HG2 THR 32 -16.217 -0.651 4.869 225 HG22 THR 32 1HG2 THR 32 -16.605 1.068 4.908 226 HG23 THR 32 2HG2 THR 32 -16.081 0.314 3.399 227 H ALA 33 H ALA 33 -19.570 -2.888 4.883 228 HA ALA 33 HA ALA 33 -18.689 -3.983 7.323 229 HB1 ALA 33 1HB ALA 33 -19.035 -6.159 6.240 230 HB2 ALA 33 2HB ALA 33 -19.160 -5.359 4.673 231 HB3 ALA 33 3HB ALA 33 -20.377 -5.061 5.913 232 HA PRO 34 HA PRO 34 -14.288 -3.985 6.442 233 HB2 PRO 34 2HB PRO 34 -13.566 -5.769 8.416 234 HB3 PRO 34 1HB PRO 34 -13.831 -4.046 8.699 235 HG2 PRO 34 2HG PRO 34 -15.668 -6.352 9.185 236 HG3 PRO 34 1HG PRO 34 -15.393 -4.909 10.178 237 HD2 PRO 34 2HD PRO 34 -17.551 -5.171 8.600 238 HD3 PRO 34 1HD PRO 34 -16.779 -3.594 8.871 239 H ALA 35 H ALA 35 -12.911 -5.324 5.332 240 HA ALA 35 HA ALA 35 -14.169 -7.791 4.407 241 HB1 ALA 35 1HB ALA 35 -13.877 -6.175 2.655 242 HB2 ALA 35 2HB ALA 35 -12.711 -7.479 2.390 243 HB3 ALA 35 3HB ALA 35 -12.193 -5.943 3.091 244 H SER 36 H SER 36 -12.572 -9.466 3.683 245 HA SER 36 HA SER 36 -9.961 -9.533 4.562 246 HB2 SER 36 2HB SER 36 -11.133 -9.740 6.823 247 HB3 SER 36 1HB SER 36 -11.833 -11.249 6.237 248 HG SER 36 HG SER 36 -9.574 -10.957 7.423 249 H THR 37 H THR 37 -9.720 -12.285 4.815 250 HA THR 37 HA THR 37 -11.186 -13.980 3.325 251 HB THR 37 HB THR 37 -10.831 -12.530 1.305 252 HG1 THR 37 1HG THR 37 -11.145 -14.424 0.520 253 HG21 THR 37 3HG2 THR 37 -7.917 -13.316 1.592 254 HG22 THR 37 1HG2 THR 37 -8.576 -11.690 1.757 255 HG23 THR 37 2HG2 THR 37 -8.615 -12.501 0.192 256 H GLY 38 H GLY 38 -8.028 -12.968 4.289 257 HA2 GLY 38 2HA GLY 38 -7.306 -15.083 5.757 258 HA3 GLY 38 1HA GLY 38 -7.003 -15.677 4.134 259 H ALA 39 H ALA 39 -6.352 -12.778 6.060 260 HA ALA 39 HA ALA 39 -3.883 -12.296 4.624 261 HB1 ALA 39 1HB ALA 39 -3.608 -10.408 6.193 262 HB2 ALA 39 2HB ALA 39 -5.043 -10.940 7.072 263 HB3 ALA 39 3HB ALA 39 -5.181 -10.381 5.404 264 H GLU 40 H GLU 40 -4.906 -13.316 7.846 265 HA GLU 40 HA GLU 40 -2.204 -13.750 8.757 266 HB2 GLU 40 2HB GLU 40 -4.845 -14.444 10.039 267 HB3 GLU 40 1HB GLU 40 -3.275 -14.469 10.833 268 HG2 GLU 40 2HG GLU 40 -3.049 -12.077 10.396 269 HG3 GLU 40 1HG GLU 40 -4.654 -12.064 9.692 270 H ASN 41 H ASN 41 -3.952 -15.278 6.724 271 HA ASN 41 HA ASN 41 -3.501 -18.051 7.567 272 HB2 ASN 41 2HB ASN 41 -5.611 -17.531 6.367 273 HB3 ASN 41 1HB ASN 41 -4.680 -16.971 4.983 274 HD21 ASN 41 1HD2 ASN 41 -5.518 -18.481 3.556 275 HD22 ASN 41 2HD2 ASN 41 -5.139 -20.156 3.665 276 H LEU 42 H LEU 42 -2.243 -15.549 5.579 277 HA LEU 42 HA LEU 42 -0.538 -15.306 4.163 278 HB2 LEU 42 2HB LEU 42 0.550 -17.562 5.808 279 HB3 LEU 42 1HB LEU 42 1.541 -16.596 4.714 280 HG LEU 42 HG LEU 42 0.116 -15.606 7.200 281 HD11 LEU 42 1HD1 LEU 42 2.343 -15.367 8.145 282 HD12 LEU 42 2HD1 LEU 42 3.045 -16.045 6.679 283 HD13 LEU 42 3HD1 LEU 42 2.021 -17.047 7.710 284 HD21 LEU 42 3HD2 LEU 42 1.994 -14.184 5.317 285 HD22 LEU 42 1HD2 LEU 42 1.380 -13.536 6.838 286 HD23 LEU 42 2HD2 LEU 42 0.269 -13.867 5.513 287 HA PRO 43 HA PRO 43 -2.350 -18.576 1.430 288 HB2 PRO 43 2HB PRO 43 -2.068 -16.957 -0.836 289 HB3 PRO 43 1HB PRO 43 -3.531 -17.126 0.135 290 HG2 PRO 43 2HG PRO 43 -1.449 -14.992 0.201 291 HG3 PRO 43 1HG PRO 43 -3.199 -14.875 0.455 292 HD2 PRO 43 2HD PRO 43 -1.470 -14.762 2.486 293 HD3 PRO 43 1HD PRO 43 -3.053 -15.541 2.664 294 H ALA 44 H ALA 44 0.133 -16.484 -0.034 295 HA ALA 44 HA ALA 44 1.730 -18.911 -0.518 296 HB1 ALA 44 1HB ALA 44 2.412 -17.983 -2.669 297 HB2 ALA 44 2HB ALA 44 1.385 -16.577 -2.393 298 HB3 ALA 44 3HB ALA 44 0.662 -18.178 -2.580 299 H GLY 45 H GLY 45 1.701 -16.531 1.426 300 HA2 GLY 45 2HA GLY 45 3.420 -15.613 2.703 301 HA3 GLY 45 1HA GLY 45 4.567 -16.242 1.533 302 H SER 46 H SER 46 2.583 -14.682 -0.425 303 HA SER 46 HA SER 46 3.993 -12.125 -0.108 304 HB2 SER 46 2HB SER 46 2.916 -13.345 -2.652 305 HB3 SER 46 1HB SER 46 3.925 -11.907 -2.511 306 HG SER 46 HG SER 46 5.099 -13.897 -1.234 307 H ALA 47 H ALA 47 2.795 -10.226 -0.724 308 HA ALA 47 HA ALA 47 -0.091 -10.433 -0.871 309 HB1 ALA 47 1HB ALA 47 -0.382 -8.898 1.009 310 HB2 ALA 47 2HB ALA 47 1.356 -8.944 1.314 311 HB3 ALA 47 3HB ALA 47 0.385 -10.402 1.521 312 H LEU 48 H LEU 48 -1.038 -8.277 -1.456 313 HA LEU 48 HA LEU 48 0.941 -6.412 -2.386 314 HB2 LEU 48 2HB LEU 48 -0.048 -6.230 -4.643 315 HB3 LEU 48 1HB LEU 48 0.688 -7.783 -4.350 316 HG LEU 48 HG LEU 48 -1.710 -8.643 -3.944 317 HD11 LEU 48 1HD1 LEU 48 -3.505 -7.438 -5.038 318 HD12 LEU 48 2HD1 LEU 48 -2.416 -6.092 -5.367 319 HD13 LEU 48 3HD1 LEU 48 -2.827 -6.500 -3.703 320 HD21 LEU 48 3HD2 LEU 48 -2.084 -8.956 -6.340 321 HD22 LEU 48 1HD2 LEU 48 -0.392 -9.197 -5.912 322 HD23 LEU 48 2HD2 LEU 48 -0.897 -7.699 -6.687 323 H LEU 49 H LEU 49 -0.003 -4.371 -3.084 324 HA LEU 49 HA LEU 49 -2.619 -3.936 -1.928 325 HB2 LEU 49 2HB LEU 49 -1.818 -1.760 -0.951 326 HB3 LEU 49 1HB LEU 49 -1.222 -3.194 -0.165 327 HG LEU 49 HG LEU 49 0.944 -2.831 -1.478 328 HD11 LEU 49 1HD1 LEU 49 1.412 -0.510 -2.150 329 HD12 LEU 49 2HD1 LEU 49 -0.304 -0.136 -1.948 330 HD13 LEU 49 3HD1 LEU 49 0.207 -1.308 -3.156 331 HD21 LEU 49 3HD2 LEU 49 1.766 -1.175 0.133 332 HD22 LEU 49 1HD2 LEU 49 0.766 -2.409 0.899 333 HD23 LEU 49 2HD2 LEU 49 0.103 -0.807 0.589 334 H VAL 50 H VAL 50 -3.797 -2.271 -2.856 335 HA VAL 50 HA VAL 50 -2.721 -1.281 -5.424 336 HB VAL 50 HB VAL 50 -5.600 -2.103 -4.902 337 HG11 VAL 50 1HG1 VAL 50 -4.247 -1.275 -7.468 338 HG12 VAL 50 2HG1 VAL 50 -5.424 -0.337 -6.550 339 HG13 VAL 50 3HG1 VAL 50 -5.910 -1.846 -7.322 340 HG21 VAL 50 3HG2 VAL 50 -3.479 -3.569 -6.482 341 HG22 VAL 50 1HG2 VAL 50 -5.190 -4.002 -6.427 342 HG23 VAL 50 2HG2 VAL 50 -4.204 -4.090 -4.967 343 H VAL 51 H VAL 51 -2.920 0.879 -5.701 344 HA VAL 51 HA VAL 51 -4.175 2.484 -3.607 345 HB VAL 51 HB VAL 51 -3.038 3.430 -6.254 346 HG11 VAL 51 1HG1 VAL 51 -2.689 5.552 -5.073 347 HG12 VAL 51 2HG1 VAL 51 -3.400 4.850 -3.618 348 HG13 VAL 51 3HG1 VAL 51 -4.386 5.067 -5.063 349 HG21 VAL 51 3HG2 VAL 51 -1.300 2.132 -5.118 350 HG22 VAL 51 1HG2 VAL 51 -1.527 3.101 -3.662 351 HG23 VAL 51 2HG2 VAL 51 -0.904 3.850 -5.133 352 H LYS 52 H LYS 52 -6.218 2.858 -3.620 353 HA LYS 52 HA LYS 52 -7.740 2.360 -6.053 354 HB2 LYS 52 2HB LYS 52 -8.673 2.997 -3.257 355 HB3 LYS 52 1HB LYS 52 -9.758 2.712 -4.604 356 HG2 LYS 52 2HG LYS 52 -7.780 0.717 -3.493 357 HG3 LYS 52 1HG LYS 52 -9.503 0.750 -3.139 358 HD2 LYS 52 2HD LYS 52 -8.296 0.330 -5.889 359 HD3 LYS 52 1HD LYS 52 -8.898 -0.945 -4.837 360 HE2 LYS 52 2HE LYS 52 -10.546 1.317 -5.981 361 HE3 LYS 52 1HE LYS 52 -10.529 -0.341 -6.569 362 HZ1 LYS 52 3HZ LYS 52 -12.433 0.052 -5.139 363 HZ2 LYS 52 1HZ LYS 52 -11.448 0.515 -3.864 364 HZ3 LYS 52 2HZ LYS 52 -11.421 -1.060 -4.420 365 H ARG 53 H ARG 53 -6.787 5.007 -4.048 366 HA ARG 53 HA ARG 53 -7.732 6.811 -6.085 367 HB2 ARG 53 2HB ARG 53 -9.670 6.662 -4.565 368 HB3 ARG 53 1HB ARG 53 -8.630 7.095 -3.218 369 HG2 ARG 53 2HG ARG 53 -9.956 8.995 -3.916 370 HG3 ARG 53 1HG ARG 53 -8.246 9.294 -4.213 371 HD2 ARG 53 2HD ARG 53 -8.568 8.741 -6.582 372 HD3 ARG 53 1HD ARG 53 -10.279 8.434 -6.276 373 HE ARG 53 HE ARG 53 -9.951 10.924 -5.356 374 HH11 ARG 53 1HH1 ARG 53 -9.159 9.454 -8.504 375 HH12 ARG 53 2HH1 ARG 53 -9.284 10.915 -9.350 376 HH21 ARG 53 1HH2 ARG 53 -10.175 12.921 -6.607 377 HH22 ARG 53 2HH2 ARG 53 -9.925 12.903 -8.284 378 H GLY 54 H GLY 54 -6.427 8.444 -6.342 379 HA2 GLY 54 2HA GLY 54 -4.985 10.023 -4.869 380 HA3 GLY 54 1HA GLY 54 -4.027 8.544 -4.767 381 HA PRO 55 HA PRO 55 -3.169 10.778 -8.932 382 HB2 PRO 55 2HB PRO 55 -0.450 10.716 -7.699 383 HB3 PRO 55 1HB PRO 55 -1.187 11.962 -8.716 384 HG2 PRO 55 2HG PRO 55 -0.935 12.337 -6.097 385 HG3 PRO 55 1HG PRO 55 -2.389 12.881 -6.952 386 HD2 PRO 55 2HD PRO 55 -1.998 10.519 -5.172 387 HD3 PRO 55 1HD PRO 55 -3.412 11.576 -5.359 388 H ASN 56 H ASN 56 -1.589 8.413 -6.890 389 HA ASN 56 HA ASN 56 -0.581 6.877 -9.147 390 HB2 ASN 56 2HB ASN 56 -0.291 6.452 -6.161 391 HB3 ASN 56 1HB ASN 56 0.509 5.498 -7.409 392 HD21 ASN 56 1HD2 ASN 56 2.265 6.376 -8.490 393 HD22 ASN 56 2HD2 ASN 56 2.993 7.867 -8.035 394 H ALA 57 H ALA 57 -3.548 7.123 -8.326 395 HA ALA 57 HA ALA 57 -4.426 4.620 -7.360 396 HB1 ALA 57 1HB ALA 57 -5.893 6.493 -9.222 397 HB2 ALA 57 2HB ALA 57 -5.879 6.610 -7.463 398 HB3 ALA 57 3HB ALA 57 -6.613 5.210 -8.249 399 H GLY 58 H GLY 58 -4.925 2.752 -8.309 400 HA2 GLY 58 2HA GLY 58 -5.399 1.346 -10.143 401 HA3 GLY 58 1HA GLY 58 -4.647 2.524 -11.213 402 H ALA 59 H ALA 59 -2.537 2.547 -8.869 403 HA ALA 59 HA ALA 59 -0.824 0.649 -10.209 404 HB1 ALA 59 1HB ALA 59 0.041 2.876 -9.669 405 HB2 ALA 59 2HB ALA 59 0.963 1.615 -8.848 406 HB3 ALA 59 3HB ALA 59 -0.223 2.562 -7.957 407 H ARG 60 H ARG 60 -0.120 -1.216 -9.408 408 HA ARG 60 HA ARG 60 -1.096 -2.029 -6.758 409 HB2 ARG 60 2HB ARG 60 -0.205 -3.839 -8.999 410 HB3 ARG 60 1HB ARG 60 -1.098 -4.278 -7.556 411 HG2 ARG 60 2HG ARG 60 -3.049 -3.016 -8.455 412 HG3 ARG 60 1HG ARG 60 -2.120 -2.717 -9.921 413 HD2 ARG 60 2HD ARG 60 -2.987 -5.390 -8.829 414 HD3 ARG 60 1HD ARG 60 -3.555 -4.608 -10.299 415 HE ARG 60 HE ARG 60 -0.711 -5.204 -10.129 416 HH11 ARG 60 1HH1 ARG 60 -3.836 -6.129 -11.507 417 HH12 ARG 60 2HH1 ARG 60 -3.189 -7.258 -12.594 418 HH21 ARG 60 1HH2 ARG 60 0.177 -6.733 -11.566 419 HH22 ARG 60 2HH2 ARG 60 -0.801 -7.643 -12.621 420 H PHE 61 H PHE 61 0.468 -2.623 -5.355 421 HA PHE 61 HA PHE 61 3.210 -2.975 -6.364 422 HB2 PHE 61 2HB PHE 61 2.386 -1.544 -3.822 423 HB3 PHE 61 1HB PHE 61 4.037 -1.870 -4.309 424 HD1 PHE 61 2HD PHE 61 4.983 -0.663 -6.293 425 HD2 PHE 61 1HD PHE 61 1.203 0.334 -4.610 426 HE1 PHE 61 2HE PHE 61 5.062 1.525 -7.413 427 HE2 PHE 61 1HE PHE 61 1.277 2.520 -5.726 428 HZ PHE 61 HZ PHE 61 3.208 3.121 -7.122 429 H LEU 62 H LEU 62 4.377 -4.588 -5.195 430 HA LEU 62 HA LEU 62 2.605 -6.078 -3.438 431 HB2 LEU 62 2HB LEU 62 3.520 -8.203 -4.160 432 HB3 LEU 62 1HB LEU 62 2.821 -7.339 -5.502 433 HG LEU 62 HG LEU 62 5.807 -7.442 -5.011 434 HD11 LEU 62 1HD1 LEU 62 4.939 -9.713 -5.270 435 HD12 LEU 62 2HD1 LEU 62 5.863 -9.218 -6.689 436 HD13 LEU 62 3HD1 LEU 62 4.100 -9.228 -6.744 437 HD21 LEU 62 3HD2 LEU 62 5.926 -6.876 -7.392 438 HD22 LEU 62 1HD2 LEU 62 5.015 -5.651 -6.512 439 HD23 LEU 62 2HD2 LEU 62 4.168 -6.850 -7.485 440 H LEU 63 H LEU 63 3.352 -7.030 -1.682 441 HA LEU 63 HA LEU 63 5.850 -6.011 -0.622 442 HB2 LEU 63 2HB LEU 63 3.665 -7.713 0.636 443 HB3 LEU 63 1HB LEU 63 5.094 -7.160 1.463 444 HG LEU 63 HG LEU 63 3.288 -5.832 2.207 445 HD11 LEU 63 1HD1 LEU 63 5.306 -4.598 1.911 446 HD12 LEU 63 2HD1 LEU 63 3.906 -3.573 1.590 447 HD13 LEU 63 3HD1 LEU 63 4.863 -4.202 0.249 448 HD21 LEU 63 3HD2 LEU 63 1.825 -4.508 0.733 449 HD22 LEU 63 1HD2 LEU 63 1.679 -6.239 0.414 450 HD23 LEU 63 2HD2 LEU 63 2.618 -5.220 -0.673 451 H ASP 64 H ASP 64 7.510 -7.123 -1.319 452 HA ASP 64 HA ASP 64 7.312 -10.067 -1.462 453 HB2 ASP 64 2HB ASP 64 7.159 -9.007 -3.693 454 HB3 ASP 64 1HB ASP 64 8.673 -8.173 -3.395 455 H GLN 65 H GLN 65 8.471 -7.905 0.419 456 HA GLN 65 HA GLN 65 10.978 -9.181 0.898 457 HB2 GLN 65 2HB GLN 65 12.132 -6.917 1.043 458 HB3 GLN 65 1HB GLN 65 11.794 -7.482 -0.583 459 HG2 GLN 65 2HG GLN 65 9.780 -6.044 -0.599 460 HG3 GLN 65 1HG GLN 65 10.255 -5.428 0.980 461 HE21 GLN 65 1HE2 GLN 65 9.950 -4.128 -1.612 462 HE22 GLN 65 2HE2 GLN 65 11.444 -3.344 -1.939 463 HA PRO 66 HA PRO 66 9.579 -8.561 4.982 464 HB2 PRO 66 2HB PRO 66 11.913 -8.016 6.351 465 HB3 PRO 66 1HB PRO 66 11.361 -9.632 5.903 466 HG2 PRO 66 2HG PRO 66 13.369 -7.875 4.578 467 HG3 PRO 66 1HG PRO 66 13.390 -9.630 4.802 468 HD2 PRO 66 2HD PRO 66 12.754 -8.490 2.438 469 HD3 PRO 66 1HD PRO 66 12.017 -10.009 2.984 470 H THR 67 H THR 67 11.416 -5.963 3.516 471 HA THR 67 HA THR 67 9.950 -4.125 5.253 472 HB THR 67 HB THR 67 12.882 -3.842 4.524 473 HG1 THR 67 1HG THR 67 11.557 -5.081 6.546 474 HG21 THR 67 3HG2 THR 67 11.132 -2.183 6.372 475 HG22 THR 67 1HG2 THR 67 11.720 -1.676 4.785 476 HG23 THR 67 2HG2 THR 67 12.859 -1.954 6.100 477 H THR 68 H THR 68 8.792 -2.810 4.004 478 HA THR 68 HA THR 68 9.817 -2.003 1.382 479 HB THR 68 HB THR 68 6.951 -2.635 2.154 480 HG1 THR 68 1HG THR 68 8.026 -4.167 0.195 481 HG21 THR 68 3HG2 THR 68 8.178 -2.097 -0.544 482 HG22 THR 68 1HG2 THR 68 7.241 -0.928 0.392 483 HG23 THR 68 2HG2 THR 68 6.479 -2.407 -0.200 484 H THR 69 H THR 69 10.109 0.235 1.440 485 HA THR 69 HA THR 69 8.807 1.770 3.502 486 HB THR 69 HB THR 69 10.211 3.612 2.366 487 HG1 THR 69 1HG THR 69 11.738 2.912 0.954 488 HG21 THR 69 3HG2 THR 69 12.277 2.805 3.452 489 HG22 THR 69 1HG2 THR 69 11.588 1.186 3.556 490 HG23 THR 69 2HG2 THR 69 10.871 2.510 4.474 491 H ALA 70 H ALA 70 7.445 3.645 3.062 492 HA ALA 70 HA ALA 70 6.359 3.704 0.344 493 HB1 ALA 70 1HB ALA 70 4.127 3.981 1.230 494 HB2 ALA 70 2HB ALA 70 4.757 3.910 2.877 495 HB3 ALA 70 3HB ALA 70 4.852 2.488 1.837 496 H GLY 71 H GLY 71 6.056 5.622 -0.539 497 HA2 GLY 71 2HA GLY 71 5.301 7.973 0.394 498 HA3 GLY 71 1HA GLY 71 6.998 7.931 0.874 499 H ARG 72 H ARG 72 7.907 9.277 -0.464 500 HA ARG 72 HA ARG 72 7.535 8.962 -3.357 501 HB2 ARG 72 2HB ARG 72 6.614 11.101 -2.252 502 HB3 ARG 72 1HB ARG 72 8.285 11.529 -1.935 503 HG2 ARG 72 2HG ARG 72 8.749 11.551 -4.329 504 HG3 ARG 72 1HG ARG 72 7.090 11.062 -4.665 505 HD2 ARG 72 2HD ARG 72 6.320 13.151 -3.499 506 HD3 ARG 72 1HD ARG 72 8.016 13.628 -3.392 507 HE ARG 72 HE ARG 72 7.095 13.012 -6.052 508 HH11 ARG 72 1HH1 ARG 72 7.280 15.618 -3.680 509 HH12 ARG 72 2HH1 ARG 72 7.431 16.857 -4.823 510 HH21 ARG 72 1HH2 ARG 72 7.249 14.647 -7.621 511 HH22 ARG 72 2HH2 ARG 72 7.375 16.277 -7.188 512 H HIS 73 H HIS 73 9.470 9.224 -4.587 513 HA HIS 73 HA HIS 73 11.708 9.370 -5.070 514 HB2 HIS 73 2HB HIS 73 12.102 9.477 -2.069 515 HB3 HIS 73 1HB HIS 73 13.457 9.202 -3.137 516 HD1 HIS 73 1HD HIS 73 14.126 11.446 -1.728 517 HD2 HIS 73 2HD HIS 73 11.281 11.821 -4.733 518 HE1 HIS 73 1HE HIS 73 14.094 13.903 -2.371 519 HA PRO 74 HA PRO 74 12.831 5.014 -5.142 520 HB2 PRO 74 2HB PRO 74 15.696 5.741 -4.860 521 HB3 PRO 74 1HB PRO 74 14.890 4.876 -6.173 522 HG2 PRO 74 2HG PRO 74 15.741 7.372 -6.525 523 HG3 PRO 74 1HG PRO 74 14.199 6.838 -7.217 524 HD2 PRO 74 2HD PRO 74 14.705 8.449 -4.740 525 HD3 PRO 74 1HD PRO 74 13.495 8.705 -6.016 526 H GLU 75 H GLU 75 13.479 7.042 -2.620 527 HA GLU 75 HA GLU 75 14.756 5.322 -0.740 528 HB2 GLU 75 2HB GLU 75 13.033 7.789 -0.384 529 HB3 GLU 75 1HB GLU 75 13.974 7.018 0.885 530 HG2 GLU 75 2HG GLU 75 16.035 7.537 -0.275 531 HG3 GLU 75 1HG GLU 75 15.126 8.196 -1.628 532 H SER 76 H SER 76 11.584 5.750 -2.000 533 HA SER 76 HA SER 76 10.451 4.013 0.043 534 HB2 SER 76 2HB SER 76 9.138 5.977 -1.834 535 HB3 SER 76 1HB SER 76 8.311 4.988 -0.625 536 HG SER 76 HG SER 76 10.002 7.208 -0.266 537 H ASP 77 H ASP 77 9.833 2.042 -0.624 538 HA ASP 77 HA ASP 77 10.266 1.263 -3.360 539 HB2 ASP 77 2HB ASP 77 10.737 -0.230 -1.377 540 HB3 ASP 77 1HB ASP 77 8.992 -0.398 -1.187 541 H ILE 78 H ILE 78 7.535 1.915 -1.304 542 HA ILE 78 HA ILE 78 5.653 1.458 -3.496 543 HB ILE 78 HB ILE 78 5.095 2.669 -0.757 544 HG12 ILE 78 2HG1 ILE 78 5.956 0.379 -0.471 545 HG13 ILE 78 1HG1 ILE 78 4.269 0.500 -0.000 546 HG21 ILE 78 1HG2 ILE 78 2.764 2.076 -1.184 547 HG22 ILE 78 2HG2 ILE 78 3.215 1.487 -2.784 548 HG23 ILE 78 3HG2 ILE 78 3.403 3.197 -2.389 549 HD11 ILE 78 3HD1 ILE 78 5.328 -0.648 -2.568 550 HD12 ILE 78 1HD1 ILE 78 3.626 -0.521 -2.133 551 HD13 ILE 78 2HD1 ILE 78 4.699 -1.557 -1.195 552 H PHE 79 H PHE 79 5.956 3.030 -4.974 553 HA PHE 79 HA PHE 79 6.693 5.671 -4.106 554 HB2 PHE 79 2HB PHE 79 7.936 4.729 -5.961 555 HB3 PHE 79 1HB PHE 79 6.456 4.513 -6.884 556 HD1 PHE 79 1HD PHE 79 8.584 7.128 -5.318 557 HD2 PHE 79 2HD PHE 79 5.701 6.200 -8.305 558 HE1 PHE 79 1HE PHE 79 8.852 9.376 -6.282 559 HE2 PHE 79 2HE PHE 79 5.965 8.439 -9.268 560 HZ PHE 79 HZ PHE 79 7.538 10.031 -8.254 561 H LEU 80 H LEU 80 5.280 7.015 -3.562 562 HA LEU 80 HA LEU 80 2.770 7.358 -5.067 563 HB2 LEU 80 2HB LEU 80 3.424 8.057 -2.190 564 HB3 LEU 80 1HB LEU 80 1.879 8.278 -2.982 565 HG LEU 80 HG LEU 80 3.145 5.607 -2.344 566 HD11 LEU 80 1HD1 LEU 80 0.840 7.044 -1.043 567 HD12 LEU 80 2HD1 LEU 80 2.435 6.779 -0.341 568 HD13 LEU 80 3HD1 LEU 80 1.380 5.408 -0.672 569 HD21 LEU 80 3HD2 LEU 80 1.729 5.495 -4.334 570 HD22 LEU 80 1HD2 LEU 80 0.417 6.282 -3.456 571 HD23 LEU 80 2HD2 LEU 80 0.962 4.677 -2.974 572 H ASP 81 H ASP 81 2.685 9.352 -6.027 573 HA ASP 81 HA ASP 81 4.924 11.135 -5.367 574 HB2 ASP 81 2HB ASP 81 4.894 10.226 -7.699 575 HB3 ASP 81 1HB ASP 81 3.357 11.042 -7.953 576 H ASP 82 H ASP 82 4.447 12.857 -4.325 577 HA ASP 82 HA ASP 82 1.699 13.871 -4.403 578 HB2 ASP 82 2HB ASP 82 2.234 12.703 -2.257 579 HB3 ASP 82 1HB ASP 82 3.584 13.802 -2.019 580 H VAL 83 H VAL 83 1.800 16.176 -3.365 581 HA VAL 83 HA VAL 83 3.369 17.881 -5.004 582 HB VAL 83 HB VAL 83 1.817 18.504 -2.472 583 HG11 VAL 83 1HG1 VAL 83 3.268 20.314 -3.098 584 HG12 VAL 83 2HG1 VAL 83 1.590 20.761 -3.408 585 HG13 VAL 83 3HG1 VAL 83 2.638 20.289 -4.744 586 HG21 VAL 83 3HG2 VAL 83 0.842 18.471 -5.324 587 HG22 VAL 83 1HG2 VAL 83 -0.075 19.081 -3.946 588 HG23 VAL 83 2HG2 VAL 83 0.354 17.372 -4.034 589 H THR 84 H THR 84 3.471 16.619 -1.742 590 HA THR 84 HA THR 84 5.846 18.137 -1.017 591 HB THR 84 HB THR 84 4.260 16.164 0.631 592 HG1 THR 84 1HG THR 84 2.740 17.519 0.130 593 HG21 THR 84 3HG2 THR 84 5.065 17.536 2.497 594 HG22 THR 84 1HG2 THR 84 5.888 18.608 1.364 595 HG23 THR 84 2HG2 THR 84 6.421 16.937 1.539 596 H VAL 85 H VAL 85 7.791 16.938 -0.419 597 HA VAL 85 HA VAL 85 7.809 14.270 -1.531 598 HB VAL 85 HB VAL 85 10.140 15.828 -0.406 599 HG11 VAL 85 1HG1 VAL 85 10.070 13.192 -1.884 600 HG12 VAL 85 2HG1 VAL 85 10.455 13.416 -0.180 601 HG13 VAL 85 3HG1 VAL 85 11.534 14.057 -1.421 602 HG21 VAL 85 3HG2 VAL 85 9.439 15.198 -3.273 603 HG22 VAL 85 1HG2 VAL 85 10.887 16.034 -2.726 604 HG23 VAL 85 2HG2 VAL 85 9.303 16.778 -2.509 605 H SER 86 H SER 86 6.749 13.026 -0.177 606 HA SER 86 HA SER 86 7.578 12.856 2.553 607 HB2 SER 86 2HB SER 86 5.713 11.077 0.955 608 HB3 SER 86 1HB SER 86 5.854 11.142 2.717 609 HG SER 86 HG SER 86 4.180 12.531 1.376 610 H ARG 87 H ARG 87 9.764 12.479 2.065 611 HA ARG 87 HA ARG 87 10.837 10.469 0.445 612 HB2 ARG 87 2HB ARG 87 12.925 10.757 1.777 613 HB3 ARG 87 1HB ARG 87 12.232 12.275 1.222 614 HG2 ARG 87 2HG ARG 87 11.258 12.644 3.428 615 HG3 ARG 87 1HG ARG 87 11.930 11.116 3.979 616 HD2 ARG 87 2HD ARG 87 14.173 11.960 3.657 617 HD3 ARG 87 1HD ARG 87 13.537 13.469 2.997 618 HE ARG 87 HE ARG 87 12.435 13.757 5.238 619 HH11 ARG 87 1HH1 ARG 87 15.578 12.092 4.884 620 HH12 ARG 87 2HH1 ARG 87 15.959 12.207 6.524 621 HH21 ARG 87 1HH2 ARG 87 13.008 13.889 7.507 622 HH22 ARG 87 2HH2 ARG 87 14.499 13.231 8.039 623 H ARG 88 H ARG 88 9.456 10.248 3.586 624 HA ARG 88 HA ARG 88 9.306 7.432 3.505 625 HB2 ARG 88 2HB ARG 88 11.719 7.788 4.140 626 HB3 ARG 88 1HB ARG 88 11.149 8.596 5.588 627 HG2 ARG 88 2HG ARG 88 10.082 6.502 6.305 628 HG3 ARG 88 1HG ARG 88 10.719 5.708 4.861 629 HD2 ARG 88 2HD ARG 88 13.005 6.308 5.550 630 HD3 ARG 88 1HD ARG 88 12.359 7.041 7.011 631 HE ARG 88 HE ARG 88 11.578 4.319 6.746 632 HH11 ARG 88 1HH1 ARG 88 14.268 6.413 7.759 633 HH12 ARG 88 2HH1 ARG 88 14.993 5.235 8.732 634 HH21 ARG 88 1HH2 ARG 88 12.578 2.699 8.081 635 HH22 ARG 88 2HH2 ARG 88 13.987 3.080 8.948 636 H HIS 89 H HIS 89 7.139 7.795 3.991 637 HA HIS 89 HA HIS 89 6.538 9.166 6.530 638 HB2 HIS 89 2HB HIS 89 5.139 9.830 4.579 639 HB3 HIS 89 1HB HIS 89 4.663 8.161 4.343 640 HD2 HIS 89 2HD HIS 89 3.744 7.774 7.702 641 HE1 HIS 89 1HE HIS 89 0.800 10.487 6.463 642 HE2 HIS 89 2HE HIS 89 1.380 8.553 8.008 643 H ALA 90 H ALA 90 5.921 6.136 4.779 644 HA ALA 90 HA ALA 90 5.474 4.909 7.388 645 HB1 ALA 90 1HB ALA 90 3.917 4.344 4.870 646 HB2 ALA 90 2HB ALA 90 3.329 5.237 6.273 647 HB3 ALA 90 3HB ALA 90 3.724 3.523 6.420 648 H GLU 91 H GLU 91 5.971 2.734 7.520 649 HA GLU 91 HA GLU 91 7.558 1.640 5.341 650 HB2 GLU 91 2HB GLU 91 8.994 2.549 7.194 651 HB3 GLU 91 1HB GLU 91 8.147 1.506 8.317 652 HG2 GLU 91 2HG GLU 91 9.064 -0.452 7.253 653 HG3 GLU 91 1HG GLU 91 9.793 0.540 5.991 654 H PHE 92 H PHE 92 6.842 -0.331 4.832 655 HA PHE 92 HA PHE 92 4.829 -1.595 6.539 656 HB2 PHE 92 2HB PHE 92 5.493 -2.009 3.606 657 HB3 PHE 92 1HB PHE 92 4.270 -2.895 4.492 658 HD1 PHE 92 1HD PHE 92 2.467 -1.354 5.622 659 HD2 PHE 92 2HD PHE 92 4.842 -0.258 2.288 660 HE1 PHE 92 1HE PHE 92 0.752 0.293 4.947 661 HE2 PHE 92 2HE PHE 92 3.135 1.394 1.613 662 HZ PHE 92 HZ PHE 92 1.097 1.664 2.941 663 H ARG 93 H ARG 93 5.548 -3.313 7.577 664 HA ARG 93 HA ARG 93 7.853 -4.670 6.408 665 HB2 ARG 93 2HB ARG 93 7.408 -4.138 9.341 666 HB3 ARG 93 1HB ARG 93 8.678 -5.158 8.676 667 HG2 ARG 93 2HG ARG 93 9.562 -3.214 7.458 668 HG3 ARG 93 1HG ARG 93 8.322 -2.215 8.209 669 HD2 ARG 93 2HD ARG 93 10.487 -3.742 9.637 670 HD3 ARG 93 1HD ARG 93 10.443 -2.006 9.356 671 HE ARG 93 HE ARG 93 8.366 -3.347 10.972 672 HH11 ARG 93 1HH1 ARG 93 10.559 -0.620 10.498 673 HH12 ARG 93 2HH1 ARG 93 10.359 -0.049 12.103 674 HH21 ARG 93 1HH2 ARG 93 8.040 -2.566 12.973 675 HH22 ARG 93 2HH2 ARG 93 8.859 -1.185 13.586 676 H ILE 94 H ILE 94 7.916 -6.775 6.597 677 HA ILE 94 HA ILE 94 5.468 -8.147 7.499 678 HB ILE 94 HB ILE 94 7.708 -8.953 5.568 679 HG12 ILE 94 2HG1 ILE 94 5.834 -9.246 3.895 680 HG13 ILE 94 1HG1 ILE 94 4.762 -8.503 5.061 681 HG21 ILE 94 1HG2 ILE 94 7.116 -10.902 6.836 682 HG22 ILE 94 2HG2 ILE 94 6.579 -11.029 5.160 683 HG23 ILE 94 3HG2 ILE 94 5.404 -10.673 6.433 684 HD11 ILE 94 3HD1 ILE 94 7.108 -7.210 3.677 685 HD12 ILE 94 1HD1 ILE 94 6.128 -6.448 4.934 686 HD13 ILE 94 2HD1 ILE 94 5.389 -6.895 3.406 687 H ASN 95 H ASN 95 5.738 -8.863 9.461 688 HA ASN 95 HA ASN 95 8.432 -9.560 10.403 689 HB2 ASN 95 2HB ASN 95 8.092 -7.217 10.895 690 HB3 ASN 95 1HB ASN 95 6.535 -7.575 11.625 691 HD21 ASN 95 1HD2 ASN 95 7.091 -6.635 13.498 692 HD22 ASN 95 2HD2 ASN 95 8.178 -7.321 14.652 693 H GLU 96 H GLU 96 8.287 -11.486 11.240 694 HA GLU 96 HA GLU 96 7.582 -13.375 12.231 695 HB2 GLU 96 2HB GLU 96 6.253 -11.381 14.074 696 HB3 GLU 96 1HB GLU 96 6.499 -13.083 14.452 697 HG2 GLU 96 2HG GLU 96 8.945 -12.736 14.183 698 HG3 GLU 96 1HG GLU 96 8.634 -11.020 13.961 699 H GLY 97 H GLY 97 6.049 -12.669 10.041 700 HA2 GLY 97 2HA GLY 97 4.301 -13.779 8.987 701 HA3 GLY 97 1HA GLY 97 3.712 -14.297 10.557 702 H GLU 98 H GLU 98 4.157 -11.064 10.918 703 HA GLU 98 HA GLU 98 1.363 -10.515 10.269 704 HB2 GLU 98 2HB GLU 98 3.274 -9.060 12.094 705 HB3 GLU 98 1HB GLU 98 1.553 -8.750 11.920 706 HG2 GLU 98 2HG GLU 98 1.087 -10.988 12.797 707 HG3 GLU 98 1HG GLU 98 2.803 -11.251 12.986 708 H PHE 99 H PHE 99 0.889 -8.596 9.162 709 HA PHE 99 HA PHE 99 3.170 -7.339 7.809 710 HB2 PHE 99 2HB PHE 99 0.193 -7.229 7.183 711 HB3 PHE 99 1HB PHE 99 1.445 -6.415 6.263 712 HD1 PHE 99 1HD PHE 99 -0.168 -9.609 6.999 713 HD2 PHE 99 2HD PHE 99 2.874 -7.652 4.770 714 HE1 PHE 99 1HE PHE 99 0.020 -11.577 5.542 715 HE2 PHE 99 2HE PHE 99 3.079 -9.620 3.309 716 HZ PHE 99 HZ PHE 99 1.648 -11.589 3.693 717 H GLU 100 H GLU 100 3.747 -5.480 8.737 718 HA GLU 100 HA GLU 100 1.743 -4.078 10.339 719 HB2 GLU 100 2HB GLU 100 3.671 -3.345 11.777 720 HB3 GLU 100 1HB GLU 100 3.278 -5.056 11.866 721 HG2 GLU 100 2HG GLU 100 5.150 -5.598 10.429 722 HG3 GLU 100 1HG GLU 100 5.488 -3.888 10.194 723 H VAL 101 H VAL 101 1.464 -2.018 9.991 724 HA VAL 101 HA VAL 101 3.242 -0.622 8.110 725 HB VAL 101 HB VAL 101 0.676 0.368 9.353 726 HG11 VAL 101 1HG1 VAL 101 2.105 1.235 6.860 727 HG12 VAL 101 2HG1 VAL 101 2.009 2.097 8.395 728 HG13 VAL 101 3HG1 VAL 101 0.559 1.868 7.421 729 HG21 VAL 101 3HG2 VAL 101 0.078 -1.683 8.210 730 HG22 VAL 101 1HG2 VAL 101 0.856 -1.126 6.732 731 HG23 VAL 101 2HG2 VAL 101 -0.570 -0.294 7.342 732 H VAL 102 H VAL 102 4.758 0.522 9.218 733 HA VAL 102 HA VAL 102 3.883 1.736 11.694 734 HB VAL 102 HB VAL 102 6.257 1.762 12.459 735 HG11 VAL 102 1HG1 VAL 102 5.165 -0.990 11.876 736 HG12 VAL 102 2HG1 VAL 102 4.771 0.017 13.268 737 HG13 VAL 102 3HG1 VAL 102 6.406 -0.616 13.071 738 HG21 VAL 102 3HG2 VAL 102 7.395 1.601 10.326 739 HG22 VAL 102 1HG2 VAL 102 6.745 -0.021 10.071 740 HG23 VAL 102 2HG2 VAL 102 7.896 0.270 11.374 741 H ASP 103 H ASP 103 3.990 3.921 11.684 742 HA ASP 103 HA ASP 103 5.349 4.988 9.350 743 HB2 ASP 103 2HB ASP 103 4.249 7.054 9.569 744 HB3 ASP 103 1HB ASP 103 3.031 5.798 9.726 745 H VAL 104 H VAL 104 6.571 6.786 9.400 746 HA VAL 104 HA VAL 104 7.880 7.444 11.928 747 HB VAL 104 HB VAL 104 10.028 7.759 10.639 748 HG11 VAL 104 1HG1 VAL 104 8.928 4.953 10.489 749 HG12 VAL 104 2HG1 VAL 104 9.693 5.690 11.895 750 HG13 VAL 104 3HG1 VAL 104 10.633 5.397 10.430 751 HG21 VAL 104 3HG2 VAL 104 8.560 6.342 8.413 752 HG22 VAL 104 1HG2 VAL 104 10.273 6.753 8.428 753 HG23 VAL 104 2HG2 VAL 104 9.059 8.034 8.403 754 H GLY 105 H GLY 105 5.652 8.414 10.370 755 HA2 GLY 105 2HA GLY 105 6.485 11.168 9.929 756 HA3 GLY 105 1HA GLY 105 5.638 10.332 8.628 757 H SER 106 H SER 106 5.365 10.820 12.092 758 HA SER 106 HA SER 106 2.582 10.255 12.168 759 HB2 SER 106 2HB SER 106 4.173 9.904 14.063 760 HB3 SER 106 1HB SER 106 4.255 11.649 14.269 761 HG SER 106 HG SER 106 1.869 11.492 14.498 762 H LEU 107 H LEU 107 4.195 12.954 11.072 763 HA LEU 107 HA LEU 107 2.474 14.962 12.146 764 HB2 LEU 107 2HB LEU 107 4.254 15.205 9.724 765 HB3 LEU 107 1HB LEU 107 3.561 16.489 10.681 766 HG LEU 107 HG LEU 107 5.730 14.606 11.566 767 HD11 LEU 107 1HD1 LEU 107 5.746 17.561 11.009 768 HD12 LEU 107 2HD1 LEU 107 6.465 16.308 10.000 769 HD13 LEU 107 3HD1 LEU 107 7.101 16.612 11.617 770 HD21 LEU 107 3HD2 LEU 107 4.263 15.143 13.440 771 HD22 LEU 107 1HD2 LEU 107 4.401 16.863 13.069 772 HD23 LEU 107 2HD2 LEU 107 5.816 15.957 13.607 773 H ASN 108 H ASN 108 2.654 13.135 9.118 774 HA ASN 108 HA ASN 108 0.434 14.677 8.026 775 HB2 ASN 108 2HB ASN 108 1.942 12.304 6.922 776 HB3 ASN 108 1HB ASN 108 0.601 13.076 6.090 777 HD21 ASN 108 1HD2 ASN 108 3.382 12.726 5.332 778 HD22 ASN 108 2HD2 ASN 108 3.978 14.315 5.004 779 H GLY 109 H GLY 109 0.948 11.722 9.711 780 HA2 GLY 109 2HA GLY 109 -0.709 10.632 10.931 781 HA3 GLY 109 1HA GLY 109 -1.916 11.574 10.076 782 H THR 110 H THR 110 -0.404 8.589 10.354 783 HA THR 110 HA THR 110 -1.224 7.556 7.813 784 HB THR 110 HB THR 110 -0.487 6.027 10.304 785 HG1 THR 110 1HG THR 110 1.438 6.795 10.176 786 HG21 THR 110 3HG2 THR 110 0.013 5.545 7.351 787 HG22 THR 110 1HG2 THR 110 -1.226 4.748 8.321 788 HG23 THR 110 2HG2 THR 110 0.482 4.468 8.665 789 H TYR 111 H TYR 111 -3.250 6.711 7.457 790 HA TYR 111 HA TYR 111 -4.946 6.190 9.818 791 HB2 TYR 111 2HB TYR 111 -5.895 7.039 7.069 792 HB3 TYR 111 1HB TYR 111 -6.894 6.780 8.484 793 HD1 TYR 111 2HD TYR 111 -6.664 8.383 10.428 794 HD2 TYR 111 1HD TYR 111 -4.890 9.130 6.637 795 HE1 TYR 111 2HE TYR 111 -6.457 10.768 10.997 796 HE2 TYR 111 1HE TYR 111 -4.678 11.514 7.196 797 HH TYR 111 HH TYR 111 -5.008 12.635 10.324 798 H VAL 112 H VAL 112 -5.787 4.181 9.930 799 HA VAL 112 HA VAL 112 -5.852 2.566 7.477 800 HB VAL 112 HB VAL 112 -5.160 1.491 10.233 801 HG11 VAL 112 1HG1 VAL 112 -6.376 -0.126 8.915 802 HG12 VAL 112 2HG1 VAL 112 -4.690 -0.635 9.010 803 HG13 VAL 112 3HG1 VAL 112 -5.303 0.124 7.544 804 HG21 VAL 112 3HG2 VAL 112 -2.905 1.009 9.293 805 HG22 VAL 112 1HG2 VAL 112 -3.261 2.738 9.367 806 HG23 VAL 112 2HG2 VAL 112 -3.365 1.884 7.834 807 H ASN 113 H ASN 113 -7.842 1.963 7.069 808 HA ASN 113 HA ASN 113 -10.076 1.851 7.205 809 HB2 ASN 113 2HB ASN 113 -9.409 0.617 9.890 810 HB3 ASN 113 1HB ASN 113 -11.066 0.750 9.312 811 HD21 ASN 113 1HD2 ASN 113 -9.605 -1.652 9.870 812 HD22 ASN 113 2HD2 ASN 113 -9.474 -2.523 8.381 813 H ARG 114 H ARG 114 -9.029 4.165 7.566 814 HA ARG 114 HA ARG 114 -9.337 6.300 8.157 815 HB2 ARG 114 2HB ARG 114 -12.078 5.190 8.642 816 HB3 ARG 114 1HB ARG 114 -11.730 6.904 8.851 817 HG2 ARG 114 2HG ARG 114 -11.824 7.268 6.658 818 HG3 ARG 114 1HG ARG 114 -10.683 5.966 6.335 819 HD2 ARG 114 2HD ARG 114 -13.619 5.541 6.845 820 HD3 ARG 114 1HD ARG 114 -12.921 5.726 5.237 821 HE ARG 114 HE ARG 114 -11.436 3.778 6.159 822 HH11 ARG 114 1HH1 ARG 114 -14.997 4.162 6.153 823 HH12 ARG 114 2HH1 ARG 114 -15.314 2.508 6.366 824 HH21 ARG 114 1HH2 ARG 114 -11.910 1.471 6.312 825 HH22 ARG 114 2HH2 ARG 114 -13.522 0.926 6.404 826 H GLU 115 H GLU 115 -8.581 4.290 10.310 827 HA GLU 115 HA GLU 115 -9.097 5.905 12.685 828 HB2 GLU 115 2HB GLU 115 -7.849 3.170 12.316 829 HB3 GLU 115 1HB GLU 115 -8.121 3.954 13.857 830 HG2 GLU 115 2HG GLU 115 -10.308 3.182 11.942 831 HG3 GLU 115 1HG GLU 115 -9.767 2.177 13.282 832 HA PRO 116 HA PRO 116 -4.893 7.480 11.916 833 HB2 PRO 116 2HB PRO 116 -5.117 8.563 14.637 834 HB3 PRO 116 1HB PRO 116 -4.892 9.430 13.119 835 HG2 PRO 116 2HG PRO 116 -7.208 9.485 14.524 836 HG3 PRO 116 1HG PRO 116 -7.143 9.654 12.764 837 HD2 PRO 116 2HD PRO 116 -7.949 7.289 14.407 838 HD3 PRO 116 1HD PRO 116 -8.541 7.851 12.831 839 H ARG 117 H ARG 117 -3.159 6.236 12.224 840 HA ARG 117 HA ARG 117 -2.640 5.112 14.856 841 HB2 ARG 117 2HB ARG 117 -2.866 3.492 12.328 842 HB3 ARG 117 1HB ARG 117 -1.916 2.954 13.701 843 HG2 ARG 117 2HG ARG 117 -4.840 3.598 13.805 844 HG3 ARG 117 1HG ARG 117 -4.154 1.973 13.583 845 HD2 ARG 117 2HD ARG 117 -3.059 2.122 15.737 846 HD3 ARG 117 1HD ARG 117 -3.649 3.768 15.961 847 HE ARG 117 HE ARG 117 -5.914 2.479 15.638 848 HH11 ARG 117 1HH1 ARG 117 -3.121 1.616 17.686 849 HH12 ARG 117 2HH1 ARG 117 -4.065 0.814 18.842 850 HH21 ARG 117 1HH2 ARG 117 -7.172 1.330 17.245 851 HH22 ARG 117 2HH2 ARG 117 -6.391 0.636 18.588 852 H ASN 118 H ASN 118 -0.577 4.303 15.028 853 HA ASN 118 HA ASN 118 1.358 5.597 13.227 854 HB2 ASN 118 2HB ASN 118 1.563 5.099 16.194 855 HB3 ASN 118 1HB ASN 118 2.968 5.470 15.204 856 HD21 ASN 118 1HD2 ASN 118 3.034 7.527 14.182 857 HD22 ASN 118 2HD2 ASN 118 2.205 8.879 14.845 858 H ALA 119 H ALA 119 0.470 2.757 14.948 859 HA ALA 119 HA ALA 119 2.096 1.222 13.082 860 HB1 ALA 119 1HB ALA 119 3.275 1.132 15.245 861 HB2 ALA 119 2HB ALA 119 2.529 -0.424 14.887 862 HB3 ALA 119 3HB ALA 119 1.773 0.670 16.044 863 H GLN 120 H GLN 120 0.902 -0.294 12.186 864 HA GLN 120 HA GLN 120 -1.515 -1.286 13.536 865 HB2 GLN 120 2HB GLN 120 -2.298 0.730 12.403 866 HB3 GLN 120 1HB GLN 120 -1.656 0.136 10.881 867 HG2 GLN 120 2HG GLN 120 -4.051 -0.152 10.957 868 HG3 GLN 120 1HG GLN 120 -3.250 -1.721 10.942 869 HE21 GLN 120 1HE2 GLN 120 -5.017 -2.731 11.801 870 HE22 GLN 120 2HE2 GLN 120 -5.501 -2.541 13.447 871 H VAL 121 H VAL 121 -1.969 -3.409 13.003 872 HA VAL 121 HA VAL 121 -0.425 -4.603 10.870 873 HB VAL 121 HB VAL 121 -2.522 -5.876 12.690 874 HG11 VAL 121 1HG1 VAL 121 -1.619 -8.028 11.899 875 HG12 VAL 121 2HG1 VAL 121 -0.556 -7.167 10.789 876 HG13 VAL 121 3HG1 VAL 121 -2.303 -7.085 10.574 877 HG21 VAL 121 3HG2 VAL 121 -0.611 -6.898 13.840 878 HG22 VAL 121 1HG2 VAL 121 -0.546 -5.136 13.925 879 HG23 VAL 121 2HG2 VAL 121 0.490 -6.006 12.793 880 H MET 122 H MET 122 -1.130 -4.815 8.911 881 HA MET 122 HA MET 122 -3.743 -3.687 8.279 882 HB2 MET 122 2HB MET 122 -2.876 -3.473 5.992 883 HB3 MET 122 1HB MET 122 -1.782 -2.740 7.152 884 HG2 MET 122 2HG MET 122 -0.536 -5.013 7.038 885 HG3 MET 122 1HG MET 122 -1.447 -5.244 5.550 886 HE1 MET 122 3HE MET 122 -0.155 -2.051 3.506 887 HE2 MET 122 1HE MET 122 -1.544 -2.098 4.593 888 HE3 MET 122 2HE MET 122 -1.258 -3.427 3.462 889 H GLN 123 H GLN 123 -5.438 -4.822 7.533 890 HA GLN 123 HA GLN 123 -5.070 -7.690 7.097 891 HB2 GLN 123 2HB GLN 123 -7.621 -6.109 7.477 892 HB3 GLN 123 1HB GLN 123 -7.458 -7.858 7.465 893 HG2 GLN 123 2HG GLN 123 -6.285 -6.003 9.522 894 HG3 GLN 123 1HG GLN 123 -7.750 -6.957 9.714 895 HE21 GLN 123 1HE2 GLN 123 -5.247 -6.934 11.184 896 HE22 GLN 123 2HE2 GLN 123 -4.666 -8.549 11.187 897 H THR 124 H THR 124 -6.148 -8.632 5.297 898 HA THR 124 HA THR 124 -6.013 -7.099 2.924 899 HB THR 124 HB THR 124 -5.541 -9.474 2.779 900 HG1 THR 124 1HG THR 124 -8.021 -9.098 1.440 901 HG21 THR 124 3HG2 THR 124 -7.122 -11.236 3.232 902 HG22 THR 124 1HG2 THR 124 -8.397 -10.054 3.539 903 HG23 THR 124 2HG2 THR 124 -7.042 -10.187 4.647 904 H GLY 125 H GLY 125 -7.467 -5.933 1.967 905 HA2 GLY 125 2HA GLY 125 -9.672 -5.240 1.409 906 HA3 GLY 125 1HA GLY 125 -10.244 -6.053 2.858 907 H ASP 126 H ASP 126 -7.632 -4.545 4.035 908 HA ASP 126 HA ASP 126 -9.147 -2.335 5.124 909 HB2 ASP 126 2HB ASP 126 -6.295 -3.225 5.516 910 HB3 ASP 126 1HB ASP 126 -6.889 -1.707 6.155 911 H GLU 127 H GLU 127 -8.640 -0.156 4.943 912 HA GLU 127 HA GLU 127 -6.931 0.446 2.684 913 HB2 GLU 127 2HB GLU 127 -8.253 2.564 2.317 914 HB3 GLU 127 1HB GLU 127 -9.124 1.091 1.978 915 HG2 GLU 127 2HG GLU 127 -10.705 2.421 3.005 916 HG3 GLU 127 1HG GLU 127 -10.146 1.404 4.317 917 H ILE 128 H ILE 128 -5.297 1.633 2.890 918 HA ILE 128 HA ILE 128 -4.778 2.875 5.491 919 HB ILE 128 HB ILE 128 -2.755 1.684 3.540 920 HG12 ILE 128 2HG1 ILE 128 -2.212 0.123 5.525 921 HG13 ILE 128 1HG1 ILE 128 -3.743 0.639 6.203 922 HG21 ILE 128 1HG2 ILE 128 -2.288 2.938 6.235 923 HG22 ILE 128 2HG2 ILE 128 -1.813 3.592 4.669 924 HG23 ILE 128 3HG2 ILE 128 -1.069 2.110 5.268 925 HD11 ILE 128 3HD1 ILE 128 -3.358 -0.816 3.594 926 HD12 ILE 128 1HD1 ILE 128 -4.907 -0.297 4.260 927 HD13 ILE 128 2HD1 ILE 128 -3.948 -1.511 5.104 928 H GLN 129 H GLN 129 -4.582 4.959 5.397 929 HA GLN 129 HA GLN 129 -4.099 6.229 2.820 930 HB2 GLN 129 2HB GLN 129 -5.735 7.060 5.143 931 HB3 GLN 129 1HB GLN 129 -5.043 8.285 4.090 932 HG2 GLN 129 2HG GLN 129 -6.169 7.281 2.196 933 HG3 GLN 129 1HG GLN 129 -6.867 6.050 3.257 934 HE21 GLN 129 1HE2 GLN 129 -8.559 6.569 4.532 935 HE22 GLN 129 2HE2 GLN 129 -9.325 8.135 4.488 936 H ILE 130 H ILE 130 -2.494 7.375 2.484 937 HA ILE 130 HA ILE 130 -0.842 8.422 4.688 938 HB ILE 130 HB ILE 130 -0.021 7.591 1.870 939 HG12 ILE 130 2HG1 ILE 130 1.721 6.173 3.150 940 HG13 ILE 130 1HG1 ILE 130 0.728 6.462 4.567 941 HG21 ILE 130 1HG2 ILE 130 1.143 9.620 2.363 942 HG22 ILE 130 2HG2 ILE 130 2.272 8.267 2.385 943 HG23 ILE 130 3HG2 ILE 130 1.705 8.968 3.903 944 HD11 ILE 130 3HD1 ILE 130 -0.137 5.066 2.044 945 HD12 ILE 130 1HD1 ILE 130 -1.157 5.365 3.454 946 HD13 ILE 130 2HD1 ILE 130 0.248 4.304 3.587 947 H GLY 131 H GLY 131 -1.636 10.488 4.873 948 HA2 GLY 131 2HA GLY 131 -1.882 12.733 4.342 949 HA3 GLY 131 1HA GLY 131 -1.159 12.395 2.779 950 H LYS 132 H LYS 132 -2.589 11.174 1.322 951 HA LYS 132 HA LYS 132 -5.470 11.274 1.655 952 HB2 LYS 132 2HB LYS 132 -5.937 12.554 -0.387 953 HB3 LYS 132 1HB LYS 132 -5.094 13.533 0.800 954 HG2 LYS 132 2HG LYS 132 -3.062 13.450 -0.411 955 HG3 LYS 132 1HG LYS 132 -3.656 12.161 -1.455 956 HD2 LYS 132 2HD LYS 132 -4.818 14.953 -1.380 957 HD3 LYS 132 1HD LYS 132 -3.601 14.407 -2.535 958 HE2 LYS 132 2HE LYS 132 -5.151 12.667 -3.323 959 HE3 LYS 132 1HE LYS 132 -6.370 13.233 -2.188 960 HZ1 LYS 132 3HZ LYS 132 -6.446 15.330 -3.351 961 HZ2 LYS 132 1HZ LYS 132 -6.725 14.063 -4.426 962 HZ3 LYS 132 2HZ LYS 132 -5.230 14.832 -4.414 963 H PHE 133 H PHE 133 -2.882 9.577 0.720 964 HA PHE 133 HA PHE 133 -3.957 8.457 -1.734 965 HB2 PHE 133 2HB PHE 133 -1.457 7.859 -0.128 966 HB3 PHE 133 1HB PHE 133 -1.907 7.031 -1.603 967 HD1 PHE 133 1HD PHE 133 -0.944 10.329 -0.219 968 HD2 PHE 133 2HD PHE 133 -1.290 7.890 -3.684 969 HE1 PHE 133 1HE PHE 133 0.344 11.978 -1.500 970 HE2 PHE 133 2HE PHE 133 -0.004 9.537 -4.970 971 HZ PHE 133 HZ PHE 133 0.817 11.577 -3.889 972 H ARG 134 H ARG 134 -5.261 6.718 -1.589 973 HA ARG 134 HA ARG 134 -5.096 5.217 0.919 974 HB2 ARG 134 2HB ARG 134 -7.459 4.407 0.358 975 HB3 ARG 134 1HB ARG 134 -7.290 6.057 0.927 976 HG2 ARG 134 2HG ARG 134 -7.508 6.887 -1.315 977 HG3 ARG 134 1HG ARG 134 -7.554 5.242 -1.953 978 HD2 ARG 134 2HD ARG 134 -9.812 6.310 -1.752 979 HD3 ARG 134 1HD ARG 134 -9.624 4.807 -0.859 980 HE ARG 134 HE ARG 134 -10.057 5.910 1.037 981 HH11 ARG 134 1HH1 ARG 134 -8.991 8.477 -1.247 982 HH12 ARG 134 2HH1 ARG 134 -9.432 9.720 -0.163 983 HH21 ARG 134 1HH2 ARG 134 -10.719 7.656 2.353 984 HH22 ARG 134 2HH2 ARG 134 -10.370 9.278 1.858 985 H LEU 135 H LEU 135 -4.312 3.432 0.872 986 HA LEU 135 HA LEU 135 -4.057 1.877 -1.604 987 HB2 LEU 135 2HB LEU 135 -2.444 1.911 0.965 988 HB3 LEU 135 1HB LEU 135 -2.234 0.713 -0.282 989 HG LEU 135 HG LEU 135 -1.393 2.460 -1.820 990 HD11 LEU 135 1HD1 LEU 135 -2.568 4.415 -0.935 991 HD12 LEU 135 2HD1 LEU 135 -0.827 4.689 -0.999 992 HD13 LEU 135 3HD1 LEU 135 -1.610 4.324 0.542 993 HD21 LEU 135 3HD2 LEU 135 0.726 2.870 -0.696 994 HD22 LEU 135 1HD2 LEU 135 0.180 1.212 -0.455 995 HD23 LEU 135 2HD2 LEU 135 0.006 2.393 0.839 996 H VAL 136 H VAL 136 -5.032 -0.088 -1.602 997 HA VAL 136 HA VAL 136 -6.169 -0.974 0.949 998 HB VAL 136 HB VAL 136 -7.159 -1.544 -1.882 999 HG11 VAL 136 1HG1 VAL 136 -7.482 -3.509 -0.434 1000 HG12 VAL 136 2HG1 VAL 136 -9.024 -2.745 -0.820 1001 HG13 VAL 136 3HG1 VAL 136 -8.287 -2.494 0.762 1002 HG21 VAL 136 3HG2 VAL 136 -7.724 0.688 -1.082 1003 HG22 VAL 136 1HG2 VAL 136 -8.396 -0.005 0.392 1004 HG23 VAL 136 2HG2 VAL 136 -9.165 -0.328 -1.162 1005 H PHE 137 H PHE 137 -5.553 -2.815 1.701 1006 HA PHE 137 HA PHE 137 -3.338 -4.160 0.375 1007 HB2 PHE 137 2HB PHE 137 -3.146 -3.477 2.727 1008 HB3 PHE 137 1HB PHE 137 -4.536 -4.468 3.129 1009 HD1 PHE 137 1HD PHE 137 -1.134 -4.764 1.629 1010 HD2 PHE 137 2HD PHE 137 -4.194 -6.586 3.948 1011 HE1 PHE 137 1HE PHE 137 0.365 -6.642 2.141 1012 HE2 PHE 137 2HE PHE 137 -2.710 -8.466 4.453 1013 HZ PHE 137 HZ PHE 137 -0.425 -8.493 3.554 1014 H LEU 138 H LEU 138 -3.480 -6.170 -0.468 1015 HA LEU 138 HA LEU 138 -5.899 -7.717 0.007 1016 HB2 LEU 138 2HB LEU 138 -4.624 -7.214 -2.692 1017 HB3 LEU 138 1HB LEU 138 -5.767 -8.493 -2.391 1018 HG LEU 138 HG LEU 138 -6.956 -6.847 -3.493 1019 HD11 LEU 138 1HD1 LEU 138 -8.641 -6.041 -1.950 1020 HD12 LEU 138 2HD1 LEU 138 -7.595 -6.462 -0.598 1021 HD13 LEU 138 3HD1 LEU 138 -8.204 -7.727 -1.666 1022 HD21 LEU 138 3HD2 LEU 138 -5.798 -4.780 -1.635 1023 HD22 LEU 138 1HD2 LEU 138 -7.022 -4.468 -2.867 1024 HD23 LEU 138 2HD2 LEU 138 -5.410 -5.004 -3.339 1025 H ALA 139 H ALA 139 -5.624 -9.933 -0.463 1026 HA ALA 139 HA ALA 139 -3.084 -10.983 0.328 1027 HB1 ALA 139 1HB ALA 139 -5.515 -12.349 -0.861 1028 HB2 ALA 139 2HB ALA 139 -5.138 -12.207 0.861 1029 HB3 ALA 139 3HB ALA 139 -4.122 -13.193 -0.192 1030 H GLY 140 H GLY 140 -1.459 -11.736 -0.981 1031 HA2 GLY 140 2HA GLY 140 -1.465 -10.523 -3.582 1032 HA3 GLY 140 1HA GLY 140 -0.090 -11.225 -2.756 1033 HA PRO 141 HA PRO 141 -1.199 -13.810 -6.354 1034 HB2 PRO 141 2HB PRO 141 1.675 -13.945 -6.792 1035 HB3 PRO 141 1HB PRO 141 0.413 -13.340 -7.867 1036 HG2 PRO 141 2HG PRO 141 2.224 -11.705 -6.683 1037 HG3 PRO 141 1HG PRO 141 0.570 -11.192 -7.064 1038 HD2 PRO 141 2HD PRO 141 1.721 -12.090 -4.451 1039 HD3 PRO 141 1HD PRO 141 0.607 -10.746 -4.788 1040 H ALA 142 H ALA 142 -1.125 -15.948 -6.487 1041 HA ALA 142 HA ALA 142 0.568 -17.378 -4.596 1042 HB1 ALA 142 1HB ALA 142 -1.144 -19.143 -4.554 1043 HB2 ALA 142 2HB ALA 142 -2.135 -18.217 -5.682 1044 HB3 ALA 142 3HB ALA 142 -1.838 -17.599 -4.057 1045 H GLU 143 H GLU 143 2.005 -16.923 -6.378 1046 HA GLU 143 HA GLU 143 1.688 -18.790 -8.609 1047 HB2 GLU 143 2HB GLU 143 1.850 -16.325 -9.104 1048 HB3 GLU 143 1HB GLU 143 3.480 -16.366 -8.449 1049 HG2 GLU 143 2HG GLU 143 3.560 -16.466 -10.844 1050 HG3 GLU 143 1HG GLU 143 4.107 -18.001 -10.171 Start of MODEL 25 1 H1 MET 1 1HT MET 1 9.664 -21.493 15.221 2 H2 MET 1 2HT MET 1 10.497 -21.795 13.783 3 H3 MET 1 3HT MET 1 9.135 -20.777 13.798 4 HA MET 1 HA MET 1 11.618 -20.252 15.247 5 HB2 MET 1 2HB MET 1 10.647 -19.262 12.592 6 HB3 MET 1 1HB MET 1 11.716 -18.287 13.586 7 HG2 MET 1 2HG MET 1 12.966 -19.505 11.929 8 HG3 MET 1 1HG MET 1 13.369 -20.068 13.546 9 HE1 MET 1 2HE MET 1 14.507 -22.224 12.677 10 HE2 MET 1 3HE MET 1 14.242 -21.611 11.045 11 HE3 MET 1 1HE MET 1 13.800 -23.273 11.447 12 H SER 2 H SER 2 11.627 -18.643 16.569 13 HA SER 2 HA SER 2 9.429 -16.776 16.645 14 HB2 SER 2 2HB SER 2 10.465 -18.246 19.089 15 HB3 SER 2 1HB SER 2 9.169 -17.047 19.055 16 HG SER 2 HG SER 2 7.948 -18.510 17.768 17 H ASP 3 H ASP 3 10.983 -15.376 15.733 18 HA ASP 3 HA ASP 3 13.338 -14.773 17.349 19 HB2 ASP 3 2HB ASP 3 12.538 -14.033 14.523 20 HB3 ASP 3 1HB ASP 3 13.816 -13.164 15.359 21 H ASN 4 H ASN 4 13.750 -12.575 18.014 22 HA ASN 4 HA ASN 4 11.238 -11.104 18.324 23 HB2 ASN 4 2HB ASN 4 11.993 -11.849 20.489 24 HB3 ASN 4 1HB ASN 4 13.612 -11.238 20.190 25 HD21 ASN 4 1HD2 ASN 4 10.293 -10.321 20.923 26 HD22 ASN 4 2HD2 ASN 4 10.686 -8.731 21.469 27 H ASN 5 H ASN 5 11.063 -9.154 17.610 28 HA ASN 5 HA ASN 5 13.309 -7.387 17.354 29 HB2 ASN 5 2HB ASN 5 13.043 -6.887 15.025 30 HB3 ASN 5 1HB ASN 5 12.991 -8.641 15.070 31 HD21 ASN 5 1HD2 ASN 5 10.980 -9.690 14.675 32 HD22 ASN 5 2HD2 ASN 5 9.674 -8.833 13.955 33 H GLY 6 H GLY 6 12.404 -5.166 17.192 34 HA2 GLY 6 2HA GLY 6 9.586 -5.198 17.964 35 HA3 GLY 6 1HA GLY 6 10.765 -4.397 18.985 36 H THR 7 H THR 7 11.080 -2.376 18.661 37 HA THR 7 HA THR 7 9.535 -1.019 16.674 38 HB THR 7 HB THR 7 11.447 0.117 18.711 39 HG1 THR 7 1HG THR 7 8.741 -0.698 18.893 40 HG21 THR 7 3HG2 THR 7 10.633 1.717 17.019 41 HG22 THR 7 1HG2 THR 7 9.956 2.067 18.610 42 HG23 THR 7 2HG2 THR 7 8.971 1.258 17.393 43 HA PRO 8 HA PRO 8 13.000 -0.391 13.769 44 HB2 PRO 8 2HB PRO 8 11.191 1.867 13.009 45 HB3 PRO 8 1HB PRO 8 11.957 0.662 11.967 46 HG2 PRO 8 2HG PRO 8 9.368 0.501 12.478 47 HG3 PRO 8 1HG PRO 8 10.367 -0.959 12.446 48 HD2 PRO 8 2HD PRO 8 9.315 0.551 14.804 49 HD3 PRO 8 1HD PRO 8 9.452 -1.204 14.554 50 H GLU 9 H GLU 9 14.642 1.238 13.799 51 HA GLU 9 HA GLU 9 14.546 2.705 16.236 52 HB2 GLU 9 2HB GLU 9 16.912 3.209 15.808 53 HB3 GLU 9 1HB GLU 9 16.573 1.494 15.703 54 HG2 GLU 9 2HG GLU 9 16.506 1.757 13.220 55 HG3 GLU 9 1HG GLU 9 17.064 3.412 13.449 56 HA PRO 10 HA PRO 10 13.041 6.465 14.405 57 HB2 PRO 10 2HB PRO 10 14.145 7.687 16.861 58 HB3 PRO 10 1HB PRO 10 12.490 7.714 16.249 59 HG2 PRO 10 2HG PRO 10 13.210 6.239 18.388 60 HG3 PRO 10 1HG PRO 10 11.943 5.725 17.261 61 HD2 PRO 10 2HD PRO 10 14.749 4.721 17.522 62 HD3 PRO 10 1HD PRO 10 13.251 3.891 17.060 63 H GLN 11 H GLN 11 14.403 6.950 12.785 64 HA GLN 11 HA GLN 11 17.040 8.000 13.453 65 HB2 GLN 11 2HB GLN 11 15.862 7.152 10.792 66 HB3 GLN 11 1HB GLN 11 17.494 7.770 11.017 67 HG2 GLN 11 2HG GLN 11 18.064 5.875 12.414 68 HG3 GLN 11 1HG GLN 11 16.412 5.284 12.321 69 HE21 GLN 11 1HE2 GLN 11 17.052 3.338 11.470 70 HE22 GLN 11 2HE2 GLN 11 17.639 3.166 9.858 71 H VAL 12 H VAL 12 17.689 10.034 12.428 72 HA VAL 12 HA VAL 12 15.326 11.732 12.252 73 HB VAL 12 HB VAL 12 18.135 12.537 13.088 74 HG11 VAL 12 1HG1 VAL 12 15.574 14.134 13.113 75 HG12 VAL 12 2HG1 VAL 12 16.938 14.376 12.027 76 HG13 VAL 12 3HG1 VAL 12 17.129 14.666 13.755 77 HG21 VAL 12 3HG2 VAL 12 17.192 12.795 15.339 78 HG22 VAL 12 1HG2 VAL 12 17.080 11.127 14.774 79 HG23 VAL 12 2HG2 VAL 12 15.651 12.159 14.762 80 H GLU 13 H GLU 13 14.960 12.829 10.565 81 HA GLU 13 HA GLU 13 16.927 13.697 8.683 82 HB2 GLU 13 2HB GLU 13 15.475 11.290 8.207 83 HB3 GLU 13 1HB GLU 13 14.635 12.534 7.296 84 HG2 GLU 13 2HG GLU 13 17.589 11.981 7.050 85 HG3 GLU 13 1HG GLU 13 16.364 11.253 6.022 86 H THR 14 H THR 14 15.550 15.181 7.159 87 HA THR 14 HA THR 14 13.968 16.760 8.911 88 HB THR 14 HB THR 14 14.282 17.004 5.910 89 HG1 THR 14 1HG THR 14 15.953 17.415 8.014 90 HG21 THR 14 3HG2 THR 14 13.532 19.092 7.985 91 HG22 THR 14 1HG2 THR 14 12.408 18.342 6.849 92 HG23 THR 14 2HG2 THR 14 13.716 19.360 6.254 93 H TPO 15 H TPO 15 12.090 16.138 9.504 94 HA TPO 15 HA TPO 15 10.168 15.059 7.567 95 HB TPO 15 HB TPO 15 10.396 14.284 10.507 96 HG21 TPO 15 1HG2 TPO 15 8.090 14.205 9.651 97 HG22 TPO 15 2HG2 TPO 15 8.713 12.581 9.946 98 HG23 TPO 15 3HG2 TPO 15 8.624 13.204 8.302 99 H SER 16 H SER 16 8.571 16.501 7.322 100 HA SER 16 HA SER 16 7.897 18.140 9.632 101 HB2 SER 16 2HB SER 16 7.643 18.785 6.693 102 HB3 SER 16 1HB SER 16 7.222 19.855 8.036 103 HG SER 16 HG SER 16 9.365 19.856 8.667 104 H VAL 17 H VAL 17 5.715 18.316 10.088 105 HA VAL 17 HA VAL 17 4.073 16.222 8.990 106 HB VAL 17 HB VAL 17 3.383 18.302 11.101 107 HG11 VAL 17 1HG1 VAL 17 1.403 17.355 10.056 108 HG12 VAL 17 2HG1 VAL 17 1.568 16.789 11.717 109 HG13 VAL 17 3HG1 VAL 17 1.996 15.725 10.377 110 HG21 VAL 17 3HG2 VAL 17 3.784 16.508 12.734 111 HG22 VAL 17 1HG2 VAL 17 5.244 16.901 11.827 112 HG23 VAL 17 2HG2 VAL 17 4.326 15.451 11.430 113 H PHE 18 H PHE 18 2.751 16.491 7.409 114 HA PHE 18 HA PHE 18 2.404 19.016 6.104 115 HB2 PHE 18 2HB PHE 18 2.742 16.712 5.040 116 HB3 PHE 18 1HB PHE 18 1.104 16.361 5.561 117 HD1 PHE 18 1HD PHE 18 3.170 18.372 3.311 118 HD2 PHE 18 2HD PHE 18 -0.770 17.168 4.352 119 HE1 PHE 18 1HE PHE 18 2.350 19.238 1.173 120 HE2 PHE 18 2HE PHE 18 -1.607 18.043 2.213 121 HZ PHE 18 HZ PHE 18 -0.053 19.081 0.625 122 H ARG 19 H ARG 19 1.026 20.336 7.092 123 HA ARG 19 HA ARG 19 -1.292 19.271 8.459 124 HB2 ARG 19 2HB ARG 19 -0.231 22.087 8.288 125 HB3 ARG 19 1HB ARG 19 -1.666 21.623 9.185 126 HG2 ARG 19 2HG ARG 19 -0.311 20.191 10.631 127 HG3 ARG 19 1HG ARG 19 1.132 20.635 9.713 128 HD2 ARG 19 2HD ARG 19 -0.633 22.567 11.214 129 HD3 ARG 19 1HD ARG 19 0.902 21.930 11.802 130 HE ARG 19 HE ARG 19 2.011 23.078 10.033 131 HH11 ARG 19 1HH1 ARG 19 -1.346 24.131 10.601 132 HH12 ARG 19 2HH1 ARG 19 -1.171 25.593 9.775 133 HH21 ARG 19 1HH2 ARG 19 2.247 25.093 8.953 134 HH22 ARG 19 2HH2 ARG 19 0.932 26.177 8.819 135 H ALA 20 H ALA 20 -2.660 18.634 6.992 136 HA ALA 20 HA ALA 20 -3.666 20.611 5.070 137 HB1 ALA 20 1HB ALA 20 -4.419 18.632 3.774 138 HB2 ALA 20 2HB ALA 20 -3.590 17.601 4.947 139 HB3 ALA 20 3HB ALA 20 -2.670 18.728 3.958 140 H ASP 21 H ASP 21 -6.004 20.478 4.718 141 HA ASP 21 HA ASP 21 -7.369 20.289 7.251 142 HB2 ASP 21 2HB ASP 21 -9.280 21.270 6.106 143 HB3 ASP 21 1HB ASP 21 -7.819 22.136 5.655 144 H LEU 22 H LEU 22 -6.561 17.941 5.308 145 HA LEU 22 HA LEU 22 -8.970 16.654 4.622 146 HB2 LEU 22 2HB LEU 22 -7.511 14.679 4.097 147 HB3 LEU 22 1HB LEU 22 -7.140 16.164 3.257 148 HG LEU 22 HG LEU 22 -5.338 16.473 5.090 149 HD11 LEU 22 1HD1 LEU 22 -6.011 14.718 6.579 150 HD12 LEU 22 2HD1 LEU 22 -4.392 14.395 5.960 151 HD13 LEU 22 3HD1 LEU 22 -5.774 13.507 5.324 152 HD21 LEU 22 3HD2 LEU 22 -4.866 16.109 2.741 153 HD22 LEU 22 1HD2 LEU 22 -5.055 14.370 2.968 154 HD23 LEU 22 2HD2 LEU 22 -3.731 15.218 3.762 155 H LEU 23 H LEU 23 -7.249 16.607 7.632 156 HA LEU 23 HA LEU 23 -8.209 14.110 8.509 157 HB2 LEU 23 2HB LEU 23 -7.334 14.645 10.621 158 HB3 LEU 23 1HB LEU 23 -6.228 15.315 9.460 159 HG LEU 23 HG LEU 23 -8.236 16.916 11.075 160 HD11 LEU 23 1HD1 LEU 23 -5.258 16.616 11.398 161 HD12 LEU 23 2HD1 LEU 23 -6.501 15.983 12.478 162 HD13 LEU 23 3HD1 LEU 23 -6.286 17.723 12.307 163 HD21 LEU 23 3HD2 LEU 23 -7.003 18.886 10.296 164 HD22 LEU 23 1HD2 LEU 23 -7.685 17.999 8.935 165 HD23 LEU 23 2HD2 LEU 23 -5.969 17.857 9.306 166 H LYS 24 H LYS 24 -9.566 17.249 8.328 167 HA LYS 24 HA LYS 24 -11.495 17.070 10.393 168 HB2 LYS 24 2HB LYS 24 -11.521 18.710 7.867 169 HB3 LYS 24 1HB LYS 24 -12.622 18.900 9.221 170 HG2 LYS 24 2HG LYS 24 -10.793 19.583 10.653 171 HG3 LYS 24 1HG LYS 24 -9.635 19.284 9.354 172 HD2 LYS 24 2HD LYS 24 -10.125 21.660 9.508 173 HD3 LYS 24 1HD LYS 24 -10.745 21.016 7.989 174 HE2 LYS 24 2HE LYS 24 -12.999 20.842 9.079 175 HE3 LYS 24 1HE LYS 24 -12.322 21.655 10.483 176 HZ1 LYS 24 3HZ LYS 24 -12.477 22.783 7.743 177 HZ2 LYS 24 1HZ LYS 24 -11.848 23.580 9.093 178 HZ3 LYS 24 2HZ LYS 24 -13.478 23.181 9.017 179 H GLU 25 H GLU 25 -11.358 15.928 7.140 180 HA GLU 25 HA GLU 25 -14.104 15.751 6.595 181 HB2 GLU 25 2HB GLU 25 -12.369 15.716 4.857 182 HB3 GLU 25 1HB GLU 25 -11.825 14.153 5.436 183 HG2 GLU 25 2HG GLU 25 -13.890 13.124 4.754 184 HG3 GLU 25 1HG GLU 25 -14.563 14.695 4.317 185 H MET 26 H MET 26 -11.828 13.288 7.810 186 HA MET 26 HA MET 26 -13.943 11.355 7.987 187 HB2 MET 26 2HB MET 26 -12.297 9.788 8.877 188 HB3 MET 26 1HB MET 26 -11.651 10.605 7.479 189 HG2 MET 26 2HG MET 26 -9.863 10.470 8.978 190 HG3 MET 26 1HG MET 26 -10.425 12.131 9.112 191 HE1 MET 26 3HE MET 26 -12.040 8.854 10.714 192 HE2 MET 26 1HE MET 26 -11.202 8.824 12.263 193 HE3 MET 26 2HE MET 26 -10.300 8.578 10.766 194 H GLU 27 H GLU 27 -12.775 13.794 9.965 195 HA GLU 27 HA GLU 27 -13.737 12.713 12.442 196 HB2 GLU 27 2HB GLU 27 -11.791 14.339 12.124 197 HB3 GLU 27 1HB GLU 27 -12.976 15.566 11.756 198 HG2 GLU 27 2HG GLU 27 -12.884 14.107 14.392 199 HG3 GLU 27 1HG GLU 27 -11.978 15.577 14.080 200 H SER 28 H SER 28 -14.847 14.845 9.889 201 HA SER 28 HA SER 28 -17.184 15.760 11.203 202 HB2 SER 28 2HB SER 28 -16.057 16.931 9.265 203 HB3 SER 28 1HB SER 28 -16.636 15.637 8.225 204 HG SER 28 HG SER 28 -18.144 17.484 9.721 205 H SER 29 H SER 29 -16.526 13.184 8.847 206 HA SER 29 HA SER 29 -19.277 12.407 8.725 207 HB2 SER 29 2HB SER 29 -18.259 10.536 7.330 208 HB3 SER 29 1HB SER 29 -18.073 12.182 6.717 209 HG SER 29 HG SER 29 -15.987 12.139 7.146 210 H THR 30 H THR 30 -16.657 11.700 10.730 211 HA THR 30 HA THR 30 -16.271 10.331 12.422 212 HB THR 30 HB THR 30 -19.196 9.501 12.287 213 HG1 THR 30 1HG THR 30 -17.867 11.740 13.397 214 HG21 THR 30 3HG2 THR 30 -17.778 8.147 13.803 215 HG22 THR 30 1HG2 THR 30 -18.916 9.141 14.714 216 HG23 THR 30 2HG2 THR 30 -17.226 9.625 14.594 217 H GLY 31 H GLY 31 -14.959 9.349 10.934 218 HA2 GLY 31 2HA GLY 31 -15.531 7.244 9.254 219 HA3 GLY 31 1HA GLY 31 -13.956 7.563 9.958 220 H THR 32 H THR 32 -16.050 5.231 9.499 221 HA THR 32 HA THR 32 -15.862 4.046 12.131 222 HB THR 32 HB THR 32 -18.078 3.916 11.096 223 HG1 THR 32 1HG THR 32 -18.426 1.855 11.545 224 HG21 THR 32 3HG2 THR 32 -16.730 2.400 8.854 225 HG22 THR 32 1HG2 THR 32 -17.483 3.989 8.731 226 HG23 THR 32 2HG2 THR 32 -18.472 2.565 9.058 227 H ALA 33 H ALA 33 -14.640 2.308 12.531 228 HA ALA 33 HA ALA 33 -12.922 1.376 10.347 229 HB1 ALA 33 1HB ALA 33 -11.694 2.500 12.143 230 HB2 ALA 33 2HB ALA 33 -11.272 0.790 12.048 231 HB3 ALA 33 3HB ALA 33 -12.362 1.360 13.312 232 HA PRO 34 HA PRO 34 -15.362 -2.325 11.319 233 HB2 PRO 34 2HB PRO 34 -15.097 -3.484 8.892 234 HB3 PRO 34 1HB PRO 34 -16.288 -2.214 9.199 235 HG2 PRO 34 2HG PRO 34 -13.626 -2.032 7.861 236 HG3 PRO 34 1HG PRO 34 -15.145 -1.218 7.450 237 HD2 PRO 34 2HD PRO 34 -13.085 -0.038 8.821 238 HD3 PRO 34 1HD PRO 34 -14.778 0.471 8.948 239 H ALA 35 H ALA 35 -14.632 -4.281 11.958 240 HA ALA 35 HA ALA 35 -11.766 -4.733 11.817 241 HB1 ALA 35 1HB ALA 35 -13.946 -6.207 13.309 242 HB2 ALA 35 2HB ALA 35 -12.894 -4.969 13.989 243 HB3 ALA 35 3HB ALA 35 -12.214 -6.509 13.464 244 H SER 36 H SER 36 -10.929 -6.121 10.382 245 HA SER 36 HA SER 36 -12.808 -7.825 8.930 246 HB2 SER 36 2HB SER 36 -11.675 -5.935 7.691 247 HB3 SER 36 1HB SER 36 -10.140 -6.736 8.004 248 HG SER 36 HG SER 36 -10.584 -7.592 6.168 249 H THR 37 H THR 37 -11.895 -9.905 8.224 250 HA THR 37 HA THR 37 -9.782 -10.897 9.963 251 HB THR 37 HB THR 37 -11.920 -11.557 10.999 252 HG1 THR 37 1HG THR 37 -10.660 -13.194 11.395 253 HG21 THR 37 3HG2 THR 37 -13.513 -13.032 9.827 254 HG22 THR 37 1HG2 THR 37 -12.556 -12.882 8.354 255 HG23 THR 37 2HG2 THR 37 -13.371 -11.469 9.023 256 H GLY 38 H GLY 38 -8.809 -12.931 9.105 257 HA2 GLY 38 2HA GLY 38 -8.708 -14.486 7.262 258 HA3 GLY 38 1HA GLY 38 -9.162 -13.156 6.193 259 H ALA 39 H ALA 39 -7.405 -11.749 8.372 260 HA ALA 39 HA ALA 39 -5.196 -11.402 6.619 261 HB1 ALA 39 1HB ALA 39 -4.369 -9.825 8.288 262 HB2 ALA 39 2HB ALA 39 -5.574 -10.405 9.436 263 HB3 ALA 39 3HB ALA 39 -6.090 -9.563 7.978 264 H GLU 40 H GLU 40 -5.854 -12.978 9.628 265 HA GLU 40 HA GLU 40 -3.111 -13.778 10.068 266 HB2 GLU 40 2HB GLU 40 -3.990 -14.780 12.136 267 HB3 GLU 40 1HB GLU 40 -4.402 -13.081 12.000 268 HG2 GLU 40 2HG GLU 40 -6.312 -15.296 11.277 269 HG3 GLU 40 1HG GLU 40 -6.184 -14.625 12.897 270 H ASN 41 H ASN 41 -5.585 -14.825 8.241 271 HA ASN 41 HA ASN 41 -5.204 -17.660 8.695 272 HB2 ASN 41 2HB ASN 41 -6.998 -16.133 6.811 273 HB3 ASN 41 1HB ASN 41 -6.817 -17.877 6.719 274 HD21 ASN 41 1HD2 ASN 41 -7.662 -19.144 8.345 275 HD22 ASN 41 2HD2 ASN 41 -8.803 -18.553 9.494 276 H LEU 42 H LEU 42 -4.204 -15.156 6.570 277 HA LEU 42 HA LEU 42 -2.914 -15.055 4.714 278 HB2 LEU 42 2HB LEU 42 -1.680 -17.367 6.158 279 HB3 LEU 42 1HB LEU 42 -0.976 -16.785 4.658 280 HG LEU 42 HG LEU 42 0.337 -15.942 6.418 281 HD11 LEU 42 1HD1 LEU 42 0.114 -13.536 6.323 282 HD12 LEU 42 2HD1 LEU 42 -1.484 -13.718 5.606 283 HD13 LEU 42 3HD1 LEU 42 -0.059 -14.296 4.739 284 HD21 LEU 42 3HD2 LEU 42 -1.136 -16.343 8.299 285 HD22 LEU 42 1HD2 LEU 42 -2.171 -15.004 7.802 286 HD23 LEU 42 2HD2 LEU 42 -0.525 -14.690 8.346 287 HA PRO 43 HA PRO 43 -5.770 -18.232 2.798 288 HB2 PRO 43 2HB PRO 43 -6.307 -16.553 0.624 289 HB3 PRO 43 1HB PRO 43 -7.319 -16.745 2.055 290 HG2 PRO 43 2HG PRO 43 -5.307 -14.648 1.413 291 HG3 PRO 43 1HG PRO 43 -6.853 -14.496 2.270 292 HD2 PRO 43 2HD PRO 43 -4.527 -14.461 3.574 293 HD3 PRO 43 1HD PRO 43 -5.950 -15.262 4.270 294 H ALA 44 H ALA 44 -3.996 -16.142 0.518 295 HA ALA 44 HA ALA 44 -3.131 -18.599 -0.795 296 HB1 ALA 44 1HB ALA 44 -3.149 -15.786 -1.856 297 HB2 ALA 44 2HB ALA 44 -4.361 -17.025 -2.187 298 HB3 ALA 44 3HB ALA 44 -2.708 -17.228 -2.765 299 H GLY 45 H GLY 45 -1.972 -16.560 1.420 300 HA2 GLY 45 2HA GLY 45 0.151 -16.541 2.359 301 HA3 GLY 45 1HA GLY 45 0.742 -17.426 0.964 302 H SER 46 H SER 46 -0.822 -14.925 -0.398 303 HA SER 46 HA SER 46 1.577 -13.246 -0.355 304 HB2 SER 46 2HB SER 46 -0.442 -13.599 -2.579 305 HB3 SER 46 1HB SER 46 1.003 -12.600 -2.642 306 HG SER 46 HG SER 46 1.407 -14.509 -3.636 307 H ALA 47 H ALA 47 1.184 -10.942 -0.656 308 HA ALA 47 HA ALA 47 -1.479 -10.011 0.081 309 HB1 ALA 47 1HB ALA 47 -0.541 -8.650 1.864 310 HB2 ALA 47 2HB ALA 47 1.053 -9.347 1.574 311 HB3 ALA 47 3HB ALA 47 -0.260 -10.363 2.169 312 H LEU 48 H LEU 48 -1.942 -7.945 -0.776 313 HA LEU 48 HA LEU 48 0.210 -6.396 -1.844 314 HB2 LEU 48 2HB LEU 48 -0.783 -6.286 -4.135 315 HB3 LEU 48 1HB LEU 48 -0.055 -7.817 -3.722 316 HG LEU 48 HG LEU 48 -2.452 -8.633 -3.257 317 HD11 LEU 48 1HD1 LEU 48 -3.144 -6.199 -4.890 318 HD12 LEU 48 2HD1 LEU 48 -3.593 -6.494 -3.211 319 HD13 LEU 48 3HD1 LEU 48 -4.237 -7.524 -4.488 320 HD21 LEU 48 3HD2 LEU 48 -1.580 -7.943 -6.051 321 HD22 LEU 48 1HD2 LEU 48 -2.821 -9.125 -5.632 322 HD23 LEU 48 2HD2 LEU 48 -1.148 -9.387 -5.135 323 H LEU 49 H LEU 49 -0.344 -4.280 -2.372 324 HA LEU 49 HA LEU 49 -3.038 -3.541 -1.564 325 HB2 LEU 49 2HB LEU 49 -2.287 -1.524 -0.450 326 HB3 LEU 49 1HB LEU 49 -1.530 -2.905 0.285 327 HG LEU 49 HG LEU 49 -0.140 -1.003 -1.625 328 HD11 LEU 49 1HD1 LEU 49 0.949 -0.125 0.376 329 HD12 LEU 49 2HD1 LEU 49 -0.046 -1.180 1.381 330 HD13 LEU 49 3HD1 LEU 49 -0.799 0.106 0.438 331 HD21 LEU 49 3HD2 LEU 49 1.919 -2.016 -0.777 332 HD22 LEU 49 1HD2 LEU 49 0.905 -3.231 -1.552 333 HD23 LEU 49 2HD2 LEU 49 0.976 -3.133 0.208 334 H VAL 50 H VAL 50 -4.060 -2.136 -2.789 335 HA VAL 50 HA VAL 50 -2.608 -1.274 -5.182 336 HB VAL 50 HB VAL 50 -4.335 -2.954 -5.707 337 HG11 VAL 50 1HG1 VAL 50 -6.725 -2.477 -5.439 338 HG12 VAL 50 2HG1 VAL 50 -6.319 -1.011 -4.548 339 HG13 VAL 50 3HG1 VAL 50 -5.885 -2.587 -3.891 340 HG21 VAL 50 3HG2 VAL 50 -5.575 -1.706 -7.441 341 HG22 VAL 50 1HG2 VAL 50 -3.862 -1.277 -7.404 342 HG23 VAL 50 2HG2 VAL 50 -5.056 -0.195 -6.696 343 H VAL 51 H VAL 51 -2.583 0.783 -5.701 344 HA VAL 51 HA VAL 51 -3.666 2.727 -3.845 345 HB VAL 51 HB VAL 51 -2.440 3.189 -6.575 346 HG11 VAL 51 1HG1 VAL 51 -1.812 5.373 -5.663 347 HG12 VAL 51 2HG1 VAL 51 -2.596 4.961 -4.138 348 HG13 VAL 51 3HG1 VAL 51 -3.558 5.129 -5.604 349 HG21 VAL 51 3HG2 VAL 51 -0.917 1.814 -5.279 350 HG22 VAL 51 1HG2 VAL 51 -1.001 2.950 -3.934 351 HG23 VAL 51 2HG2 VAL 51 -0.273 3.444 -5.461 352 H LYS 52 H LYS 52 -5.664 3.363 -3.915 353 HA LYS 52 HA LYS 52 -7.303 2.576 -6.188 354 HB2 LYS 52 2HB LYS 52 -7.946 2.076 -3.821 355 HB3 LYS 52 1HB LYS 52 -8.122 3.801 -3.555 356 HG2 LYS 52 2HG LYS 52 -10.293 2.855 -3.898 357 HG3 LYS 52 1HG LYS 52 -9.885 3.836 -5.309 358 HD2 LYS 52 2HD LYS 52 -9.285 1.840 -6.557 359 HD3 LYS 52 1HD LYS 52 -9.581 0.834 -5.141 360 HE2 LYS 52 2HE LYS 52 -11.939 1.622 -5.166 361 HE3 LYS 52 1HE LYS 52 -11.596 2.467 -6.672 362 HZ1 LYS 52 3HZ LYS 52 -11.081 0.330 -7.710 363 HZ2 LYS 52 1HZ LYS 52 -12.626 0.295 -7.029 364 HZ3 LYS 52 2HZ LYS 52 -11.362 -0.459 -6.249 365 H ARG 53 H ARG 53 -6.050 5.381 -4.626 366 HA ARG 53 HA ARG 53 -7.166 7.078 -6.715 367 HB2 ARG 53 2HB ARG 53 -8.647 6.999 -4.559 368 HB3 ARG 53 1HB ARG 53 -7.337 7.869 -3.802 369 HG2 ARG 53 2HG ARG 53 -8.897 8.878 -6.188 370 HG3 ARG 53 1HG ARG 53 -9.261 9.281 -4.523 371 HD2 ARG 53 2HD ARG 53 -6.921 10.241 -4.387 372 HD3 ARG 53 1HD ARG 53 -6.831 10.027 -6.134 373 HE ARG 53 HE ARG 53 -8.856 11.676 -4.783 374 HH11 ARG 53 1HH1 ARG 53 -6.768 11.157 -7.610 375 HH12 ARG 53 2HH1 ARG 53 -7.030 12.686 -8.264 376 HH21 ARG 53 1HH2 ARG 53 -9.235 13.789 -5.707 377 HH22 ARG 53 2HH2 ARG 53 -8.472 14.215 -7.169 378 H GLY 54 H GLY 54 -5.777 8.758 -7.105 379 HA2 GLY 54 2HA GLY 54 -3.934 10.142 -6.012 380 HA3 GLY 54 1HA GLY 54 -3.162 8.576 -5.768 381 HA PRO 55 HA PRO 55 -2.243 10.440 -10.089 382 HB2 PRO 55 2HB PRO 55 0.533 10.388 -9.014 383 HB3 PRO 55 1HB PRO 55 -0.258 11.615 -10.013 384 HG2 PRO 55 2HG PRO 55 0.161 12.103 -7.451 385 HG3 PRO 55 1HG PRO 55 -1.377 12.561 -8.201 386 HD2 PRO 55 2HD PRO 55 -0.761 10.189 -6.468 387 HD3 PRO 55 1HD PRO 55 -2.157 11.287 -6.413 388 H ASN 56 H ASN 56 -0.640 8.075 -8.018 389 HA ASN 56 HA ASN 56 0.047 6.458 -10.344 390 HB2 ASN 56 2HB ASN 56 1.467 5.193 -8.753 391 HB3 ASN 56 1HB ASN 56 1.872 6.906 -8.802 392 HD21 ASN 56 1HD2 ASN 56 0.664 4.332 -6.922 393 HD22 ASN 56 2HD2 ASN 56 0.620 5.166 -5.410 394 H ALA 57 H ALA 57 -2.711 6.766 -9.157 395 HA ALA 57 HA ALA 57 -3.502 4.422 -7.818 396 HB1 ALA 57 1HB ALA 57 -4.889 6.438 -7.918 397 HB2 ALA 57 2HB ALA 57 -5.770 5.009 -8.462 398 HB3 ALA 57 3HB ALA 57 -5.149 6.167 -9.641 399 H GLY 58 H GLY 58 -4.394 2.523 -8.533 400 HA2 GLY 58 2HA GLY 58 -5.135 1.022 -10.218 401 HA3 GLY 58 1HA GLY 58 -4.298 1.996 -11.422 402 H ALA 59 H ALA 59 -2.068 2.061 -9.280 403 HA ALA 59 HA ALA 59 -0.745 -0.316 -10.276 404 HB1 ALA 59 1HB ALA 59 1.266 0.643 -9.257 405 HB2 ALA 59 2HB ALA 59 0.295 1.936 -8.551 406 HB3 ALA 59 3HB ALA 59 0.467 1.822 -10.300 407 H ARG 60 H ARG 60 -0.526 -2.104 -9.120 408 HA ARG 60 HA ARG 60 -1.123 -1.943 -6.267 409 HB2 ARG 60 2HB ARG 60 -1.704 -4.361 -6.360 410 HB3 ARG 60 1HB ARG 60 -2.769 -3.368 -7.336 411 HG2 ARG 60 2HG ARG 60 -1.645 -4.086 -9.353 412 HG3 ARG 60 1HG ARG 60 -0.469 -4.990 -8.404 413 HD2 ARG 60 2HD ARG 60 -2.166 -6.490 -7.611 414 HD3 ARG 60 1HD ARG 60 -3.436 -5.515 -8.345 415 HE ARG 60 HE ARG 60 -2.102 -6.106 -10.489 416 HH11 ARG 60 1HH1 ARG 60 -2.665 -8.346 -7.808 417 HH12 ARG 60 2HH1 ARG 60 -2.839 -9.709 -8.830 418 HH21 ARG 60 1HH2 ARG 60 -2.336 -7.979 -11.844 419 HH22 ARG 60 2HH2 ARG 60 -2.647 -9.505 -11.133 420 H PHE 61 H PHE 61 0.293 -2.667 -4.871 421 HA PHE 61 HA PHE 61 2.815 -3.662 -5.984 422 HB2 PHE 61 2HB PHE 61 2.375 -1.926 -3.543 423 HB3 PHE 61 1HB PHE 61 3.925 -2.559 -4.077 424 HD1 PHE 61 1HD PHE 61 4.911 -1.739 -6.219 425 HD2 PHE 61 2HD PHE 61 1.459 0.049 -4.481 426 HE1 PHE 61 1HE PHE 61 5.263 0.269 -7.593 427 HE2 PHE 61 2HE PHE 61 1.804 2.059 -5.859 428 HZ PHE 61 HZ PHE 61 3.706 2.171 -7.414 429 H LEU 62 H LEU 62 3.414 -5.564 -5.214 430 HA LEU 62 HA LEU 62 1.877 -6.591 -2.998 431 HB2 LEU 62 2HB LEU 62 2.799 -8.849 -3.645 432 HB3 LEU 62 1HB LEU 62 1.726 -8.109 -4.801 433 HG LEU 62 HG LEU 62 3.813 -7.434 -6.095 434 HD11 LEU 62 1HD1 LEU 62 5.099 -9.486 -4.302 435 HD12 LEU 62 2HD1 LEU 62 5.472 -7.765 -4.345 436 HD13 LEU 62 3HD1 LEU 62 5.821 -8.775 -5.750 437 HD21 LEU 62 3HD2 LEU 62 3.955 -9.582 -7.178 438 HD22 LEU 62 1HD2 LEU 62 2.286 -9.217 -6.756 439 HD23 LEU 62 2HD2 LEU 62 3.208 -10.368 -5.783 440 H LEU 63 H LEU 63 2.796 -7.480 -1.207 441 HA LEU 63 HA LEU 63 5.168 -6.078 -0.410 442 HB2 LEU 63 2HB LEU 63 3.416 -8.099 0.978 443 HB3 LEU 63 1HB LEU 63 4.844 -7.428 1.719 444 HG LEU 63 HG LEU 63 2.985 -6.293 2.641 445 HD11 LEU 63 1HD1 LEU 63 4.196 -4.467 0.596 446 HD12 LEU 63 2HD1 LEU 63 4.839 -4.838 2.194 447 HD13 LEU 63 3HD1 LEU 63 3.311 -3.972 2.036 448 HD21 LEU 63 3HD2 LEU 63 2.011 -5.689 -0.152 449 HD22 LEU 63 1HD2 LEU 63 1.271 -5.129 1.348 450 HD23 LEU 63 2HD2 LEU 63 1.298 -6.853 0.961 451 H ASP 64 H ASP 64 7.195 -6.771 -0.743 452 HA ASP 64 HA ASP 64 7.530 -9.630 -1.255 453 HB2 ASP 64 2HB ASP 64 7.619 -8.325 -3.327 454 HB3 ASP 64 1HB ASP 64 8.888 -7.317 -2.646 455 H GLN 65 H GLN 65 8.786 -6.752 0.310 456 HA GLN 65 HA GLN 65 10.949 -8.437 1.293 457 HB2 GLN 65 2HB GLN 65 12.387 -6.469 1.528 458 HB3 GLN 65 1HB GLN 65 11.887 -6.811 -0.115 459 HG2 GLN 65 2HG GLN 65 10.472 -4.966 -0.205 460 HG3 GLN 65 1HG GLN 65 10.554 -4.716 1.544 461 HE21 GLN 65 1HE2 GLN 65 13.456 -5.145 1.671 462 HE22 GLN 65 2HE2 GLN 65 14.135 -3.723 0.985 463 HA PRO 66 HA PRO 66 9.846 -8.099 5.510 464 HB2 PRO 66 2HB PRO 66 12.636 -7.167 5.977 465 HB3 PRO 66 1HB PRO 66 11.733 -8.451 6.789 466 HG2 PRO 66 2HG PRO 66 13.553 -9.073 4.994 467 HG3 PRO 66 1HG PRO 66 12.000 -9.930 5.015 468 HD2 PRO 66 2HD PRO 66 12.964 -7.805 3.158 469 HD3 PRO 66 1HD PRO 66 11.977 -9.242 2.828 470 H THR 67 H THR 67 11.455 -5.303 4.091 471 HA THR 67 HA THR 67 9.780 -3.676 5.861 472 HB THR 67 HB THR 67 12.675 -3.037 5.160 473 HG1 THR 67 1HG THR 67 12.393 -3.071 7.743 474 HG21 THR 67 3HG2 THR 67 10.703 -1.546 6.911 475 HG22 THR 67 1HG2 THR 67 11.273 -1.023 5.326 476 HG23 THR 67 2HG2 THR 67 12.397 -1.115 6.681 477 H THR 68 H THR 68 8.504 -2.556 4.571 478 HA THR 68 HA THR 68 9.443 -1.907 1.853 479 HB THR 68 HB THR 68 6.609 -2.277 2.854 480 HG1 THR 68 1HG THR 68 8.187 -4.163 2.603 481 HG21 THR 68 3HG2 THR 68 7.671 -2.027 0.028 482 HG22 THR 68 1HG2 THR 68 6.807 -0.760 0.902 483 HG23 THR 68 2HG2 THR 68 5.989 -2.265 0.487 484 H THR 69 H THR 69 9.919 0.242 1.728 485 HA THR 69 HA THR 69 8.853 2.004 3.723 486 HB THR 69 HB THR 69 10.402 3.624 2.402 487 HG1 THR 69 1HG THR 69 12.034 1.766 1.528 488 HG21 THR 69 3HG2 THR 69 12.372 2.719 3.576 489 HG22 THR 69 1HG2 THR 69 11.525 1.193 3.823 490 HG23 THR 69 2HG2 THR 69 10.949 2.659 4.614 491 H ALA 70 H ALA 70 7.392 3.641 3.389 492 HA ALA 70 HA ALA 70 6.228 3.826 0.707 493 HB1 ALA 70 1HB ALA 70 4.763 2.668 2.290 494 HB2 ALA 70 2HB ALA 70 4.079 4.212 1.783 495 HB3 ALA 70 3HB ALA 70 4.835 4.060 3.367 496 H GLY 71 H GLY 71 6.034 5.753 -0.168 497 HA2 GLY 71 2HA GLY 71 5.302 8.125 0.592 498 HA3 GLY 71 1HA GLY 71 6.955 8.109 1.222 499 H ARG 72 H ARG 72 7.242 9.871 -0.418 500 HA ARG 72 HA ARG 72 7.845 8.628 -3.007 501 HB2 ARG 72 2HB ARG 72 6.163 10.596 -3.027 502 HB3 ARG 72 1HB ARG 72 7.511 11.618 -2.558 503 HG2 ARG 72 2HG ARG 72 7.648 9.918 -5.040 504 HG3 ARG 72 1HG ARG 72 6.851 11.480 -5.065 505 HD2 ARG 72 2HD ARG 72 9.695 11.139 -4.119 506 HD3 ARG 72 1HD ARG 72 9.299 11.372 -5.821 507 HE ARG 72 HE ARG 72 8.022 13.382 -4.447 508 HH11 ARG 72 1HH1 ARG 72 11.391 12.382 -4.766 509 HH12 ARG 72 2HH1 ARG 72 12.021 13.967 -4.814 510 HH21 ARG 72 1HH2 ARG 72 8.906 15.597 -4.535 511 HH22 ARG 72 2HH2 ARG 72 10.585 15.807 -4.705 512 H HIS 73 H HIS 73 9.922 8.302 -3.301 513 HA HIS 73 HA HIS 73 12.006 9.992 -2.484 514 HB2 HIS 73 2HB HIS 73 10.964 8.832 -0.332 515 HB3 HIS 73 1HB HIS 73 11.729 7.387 -0.971 516 HD1 HIS 73 1HD HIS 73 13.459 7.165 0.929 517 HD2 HIS 73 2HD HIS 73 13.425 10.834 -0.971 518 HE1 HIS 73 1HE HIS 73 15.454 8.398 1.826 519 HA PRO 74 HA PRO 74 13.459 6.912 -5.501 520 HB2 PRO 74 2HB PRO 74 16.160 7.077 -5.242 521 HB3 PRO 74 1HB PRO 74 15.216 8.324 -6.060 522 HG2 PRO 74 2HG PRO 74 16.311 8.301 -3.277 523 HG3 PRO 74 1HG PRO 74 16.252 9.626 -4.451 524 HD2 PRO 74 2HD PRO 74 14.496 9.376 -2.392 525 HD3 PRO 74 1HD PRO 74 14.082 10.155 -3.930 526 H GLU 75 H GLU 75 14.232 6.832 -2.185 527 HA GLU 75 HA GLU 75 15.430 4.187 -2.272 528 HB2 GLU 75 2HB GLU 75 14.939 6.013 0.071 529 HB3 GLU 75 1HB GLU 75 15.787 4.480 0.144 530 HG2 GLU 75 2HG GLU 75 17.467 5.428 -1.445 531 HG3 GLU 75 1HG GLU 75 16.643 6.979 -1.295 532 H SER 76 H SER 76 12.256 5.286 -2.209 533 HA SER 76 HA SER 76 11.377 3.471 -0.178 534 HB2 SER 76 2HB SER 76 9.080 4.219 -0.887 535 HB3 SER 76 1HB SER 76 10.139 5.535 -0.385 536 HG SER 76 HG SER 76 8.851 5.226 -2.634 537 H ASP 77 H ASP 77 10.294 1.577 -0.490 538 HA ASP 77 HA ASP 77 11.006 0.177 -2.889 539 HB2 ASP 77 2HB ASP 77 10.918 -1.014 -0.721 540 HB3 ASP 77 1HB ASP 77 9.172 -0.778 -0.682 541 H ILE 78 H ILE 78 8.030 1.511 -1.633 542 HA ILE 78 HA ILE 78 6.872 0.927 -4.246 543 HB ILE 78 HB ILE 78 4.642 1.310 -3.298 544 HG12 ILE 78 2HG1 ILE 78 6.005 1.579 -0.604 545 HG13 ILE 78 1HG1 ILE 78 5.322 2.920 -1.518 546 HG21 ILE 78 1HG2 ILE 78 6.258 -0.687 -1.724 547 HG22 ILE 78 2HG2 ILE 78 5.481 -0.950 -3.288 548 HG23 ILE 78 3HG2 ILE 78 4.498 -0.674 -1.851 549 HD11 ILE 78 3HD1 ILE 78 3.112 1.865 -1.361 550 HD12 ILE 78 1HD1 ILE 78 3.812 2.222 0.219 551 HD13 ILE 78 2HD1 ILE 78 3.821 0.566 -0.404 552 H PHE 79 H PHE 79 6.241 2.563 -5.543 553 HA PHE 79 HA PHE 79 7.032 5.196 -4.626 554 HB2 PHE 79 2HB PHE 79 8.042 4.479 -6.732 555 HB3 PHE 79 1HB PHE 79 6.453 4.178 -7.423 556 HD1 PHE 79 2HD PHE 79 8.715 6.838 -6.188 557 HD2 PHE 79 1HD PHE 79 5.213 5.924 -8.433 558 HE1 PHE 79 2HE PHE 79 8.645 9.150 -7.020 559 HE2 PHE 79 1HE PHE 79 5.140 8.237 -9.263 560 HZ PHE 79 HZ PHE 79 6.855 9.850 -8.559 561 H LEU 80 H LEU 80 5.602 6.465 -3.893 562 HA LEU 80 HA LEU 80 2.866 6.510 -5.000 563 HB2 LEU 80 2HB LEU 80 3.742 7.100 -2.162 564 HB3 LEU 80 1HB LEU 80 2.102 7.103 -2.781 565 HG LEU 80 HG LEU 80 3.847 4.664 -2.451 566 HD11 LEU 80 1HD1 LEU 80 2.297 4.079 -0.669 567 HD12 LEU 80 2HD1 LEU 80 1.468 5.620 -0.895 568 HD13 LEU 80 3HD1 LEU 80 3.141 5.591 -0.332 569 HD21 LEU 80 3HD2 LEU 80 1.845 3.395 -2.984 570 HD22 LEU 80 1HD2 LEU 80 2.279 4.456 -4.321 571 HD23 LEU 80 2HD2 LEU 80 0.946 4.889 -3.249 572 H ASP 81 H ASP 81 2.179 8.555 -5.409 573 HA ASP 81 HA ASP 81 4.367 10.498 -5.437 574 HB2 ASP 81 2HB ASP 81 3.127 9.999 -7.548 575 HB3 ASP 81 1HB ASP 81 1.681 10.678 -6.808 576 H ASP 82 H ASP 82 4.450 11.963 -3.935 577 HA ASP 82 HA ASP 82 2.063 12.453 -2.286 578 HB2 ASP 82 2HB ASP 82 4.154 11.423 -1.252 579 HB3 ASP 82 1HB ASP 82 4.986 12.926 -1.600 580 H VAL 83 H VAL 83 2.320 14.765 -1.242 581 HA VAL 83 HA VAL 83 2.369 16.660 -3.455 582 HB VAL 83 HB VAL 83 1.765 17.207 -0.536 583 HG11 VAL 83 1HG1 VAL 83 1.049 18.736 -3.031 584 HG12 VAL 83 2HG1 VAL 83 2.243 19.200 -1.820 585 HG13 VAL 83 3HG1 VAL 83 0.532 19.153 -1.397 586 HG21 VAL 83 3HG2 VAL 83 -0.172 16.439 -2.720 587 HG22 VAL 83 1HG2 VAL 83 -0.629 17.014 -1.116 588 HG23 VAL 83 2HG2 VAL 83 0.235 15.488 -1.296 589 H THR 84 H THR 84 4.168 15.687 -0.660 590 HA THR 84 HA THR 84 6.229 17.631 -1.331 591 HB THR 84 HB THR 84 5.024 18.322 0.743 592 HG1 THR 84 1HG THR 84 7.014 18.995 0.857 593 HG21 THR 84 3HG2 THR 84 4.315 16.122 1.562 594 HG22 THR 84 1HG2 THR 84 5.233 16.973 2.805 595 HG23 THR 84 2HG2 THR 84 5.994 15.684 1.877 596 H VAL 85 H VAL 85 8.119 16.516 0.490 597 HA VAL 85 HA VAL 85 8.514 13.965 -0.898 598 HB VAL 85 HB VAL 85 10.564 15.490 0.729 599 HG11 VAL 85 1HG1 VAL 85 10.877 13.180 -1.189 600 HG12 VAL 85 2HG1 VAL 85 11.048 13.111 0.565 601 HG13 VAL 85 3HG1 VAL 85 12.197 14.039 -0.397 602 HG21 VAL 85 3HG2 VAL 85 11.520 16.198 -1.391 603 HG22 VAL 85 1HG2 VAL 85 9.865 16.781 -1.227 604 HG23 VAL 85 2HG2 VAL 85 10.214 15.397 -2.266 605 H SER 86 H SER 86 7.339 12.569 0.241 606 HA SER 86 HA SER 86 7.768 12.404 3.054 607 HB2 SER 86 2HB SER 86 5.961 10.854 1.200 608 HB3 SER 86 1HB SER 86 6.099 10.472 2.919 609 HG SER 86 HG SER 86 4.485 12.216 1.897 610 H ARG 87 H ARG 87 9.941 12.110 2.781 611 HA ARG 87 HA ARG 87 11.111 9.770 1.677 612 HB2 ARG 87 2HB ARG 87 13.154 10.522 3.075 613 HB3 ARG 87 1HB ARG 87 12.598 11.529 1.754 614 HG2 ARG 87 2HG ARG 87 11.420 12.968 3.378 615 HG3 ARG 87 1HG ARG 87 12.061 11.970 4.685 616 HD2 ARG 87 2HD ARG 87 14.243 12.679 4.319 617 HD3 ARG 87 1HD ARG 87 13.892 13.199 2.671 618 HE ARG 87 HE ARG 87 12.435 14.678 4.650 619 HH11 ARG 87 1HH1 ARG 87 15.723 14.442 3.493 620 HH12 ARG 87 2HH1 ARG 87 15.923 16.114 3.230 621 HH21 ARG 87 1HH2 ARG 87 12.645 16.952 4.302 622 HH22 ARG 87 2HH2 ARG 87 14.118 17.589 3.692 623 H ARG 88 H ARG 88 10.176 10.585 4.933 624 HA ARG 88 HA ARG 88 10.311 7.754 5.576 625 HB2 ARG 88 2HB ARG 88 11.430 9.967 7.334 626 HB3 ARG 88 1HB ARG 88 11.103 8.342 7.905 627 HG2 ARG 88 2HG ARG 88 13.044 9.003 5.690 628 HG3 ARG 88 1HG ARG 88 13.497 8.791 7.381 629 HD2 ARG 88 2HD ARG 88 12.143 6.697 5.665 630 HD3 ARG 88 1HD ARG 88 13.870 6.751 6.012 631 HE ARG 88 HE ARG 88 12.898 6.714 8.463 632 HH11 ARG 88 1HH1 ARG 88 11.958 4.653 5.706 633 HH12 ARG 88 2HH1 ARG 88 11.526 3.347 6.754 634 HH21 ARG 88 1HH2 ARG 88 12.267 4.843 9.762 635 HH22 ARG 88 2HH2 ARG 88 11.654 3.468 8.930 636 H HIS 89 H HIS 89 8.078 8.101 4.985 637 HA HIS 89 HA HIS 89 6.598 9.453 7.095 638 HB2 HIS 89 2HB HIS 89 5.991 10.148 4.870 639 HB3 HIS 89 1HB HIS 89 5.706 8.482 4.368 640 HD2 HIS 89 2HD HIS 89 4.187 9.858 7.691 641 HE1 HIS 89 1HE HIS 89 1.090 9.250 4.911 642 HE2 HIS 89 2HE HIS 89 1.753 9.135 7.257 643 H ALA 90 H ALA 90 6.532 6.318 5.286 644 HA ALA 90 HA ALA 90 5.863 5.051 7.806 645 HB1 ALA 90 1HB ALA 90 4.058 4.844 5.395 646 HB2 ALA 90 2HB ALA 90 3.682 5.694 6.893 647 HB3 ALA 90 3HB ALA 90 3.883 3.943 6.902 648 H GLU 91 H GLU 91 5.942 2.729 7.660 649 HA GLU 91 HA GLU 91 6.955 1.630 5.225 650 HB2 GLU 91 2HB GLU 91 8.813 0.425 6.333 651 HB3 GLU 91 1HB GLU 91 9.047 2.160 6.364 652 HG2 GLU 91 2HG GLU 91 8.325 2.193 8.714 653 HG3 GLU 91 1HG GLU 91 8.129 0.442 8.665 654 H PHE 92 H PHE 92 6.546 -0.484 5.020 655 HA PHE 92 HA PHE 92 4.639 -1.570 6.961 656 HB2 PHE 92 2HB PHE 92 5.118 -2.494 4.107 657 HB3 PHE 92 1HB PHE 92 3.816 -2.978 5.176 658 HD1 PHE 92 1HD PHE 92 2.392 -0.937 6.098 659 HD2 PHE 92 2HD PHE 92 4.617 -0.945 2.485 660 HE1 PHE 92 1HE PHE 92 0.970 0.873 5.224 661 HE2 PHE 92 2HE PHE 92 3.203 0.857 1.607 662 HZ PHE 92 HZ PHE 92 1.379 1.772 2.975 663 H ARG 93 H ARG 93 5.376 -3.111 8.147 664 HA ARG 93 HA ARG 93 7.988 -4.170 7.420 665 HB2 ARG 93 2HB ARG 93 7.821 -2.622 9.383 666 HB3 ARG 93 1HB ARG 93 6.834 -3.837 10.178 667 HG2 ARG 93 2HG ARG 93 8.636 -5.383 10.189 668 HG3 ARG 93 1HG ARG 93 9.604 -4.299 9.180 669 HD2 ARG 93 2HD ARG 93 9.586 -2.617 10.942 670 HD3 ARG 93 1HD ARG 93 8.615 -3.681 11.958 671 HE ARG 93 HE ARG 93 10.424 -5.160 12.097 672 HH11 ARG 93 1HH1 ARG 93 11.279 -2.003 10.643 673 HH12 ARG 93 2HH1 ARG 93 12.943 -2.194 10.956 674 HH21 ARG 93 1HH2 ARG 93 12.688 -5.378 12.463 675 HH22 ARG 93 2HH2 ARG 93 13.776 -4.135 11.996 676 H ILE 94 H ILE 94 8.251 -6.279 7.406 677 HA ILE 94 HA ILE 94 5.899 -7.965 7.907 678 HB ILE 94 HB ILE 94 7.901 -8.168 5.648 679 HG12 ILE 94 2HG1 ILE 94 5.027 -7.264 5.548 680 HG13 ILE 94 1HG1 ILE 94 6.411 -6.185 5.500 681 HG21 ILE 94 1HG2 ILE 94 6.367 -9.819 4.712 682 HG22 ILE 94 2HG2 ILE 94 5.337 -9.685 6.141 683 HG23 ILE 94 3HG2 ILE 94 6.976 -10.334 6.287 684 HD11 ILE 94 3HD1 ILE 94 7.146 -7.242 3.428 685 HD12 ILE 94 1HD1 ILE 94 5.532 -6.540 3.314 686 HD13 ILE 94 2HD1 ILE 94 5.727 -8.293 3.483 687 H ASN 95 H ASN 95 6.455 -9.473 9.338 688 HA ASN 95 HA ASN 95 9.093 -10.645 9.067 689 HB2 ASN 95 2HB ASN 95 9.330 -10.952 11.550 690 HB3 ASN 95 1HB ASN 95 9.517 -9.306 10.990 691 HD21 ASN 95 1HD2 ASN 95 6.407 -10.956 11.653 692 HD22 ASN 95 2HD2 ASN 95 6.010 -9.923 12.974 693 H GLU 96 H GLU 96 9.012 -12.613 8.583 694 HA GLU 96 HA GLU 96 8.420 -14.782 8.417 695 HB2 GLU 96 2HB GLU 96 7.395 -14.306 11.220 696 HB3 GLU 96 1HB GLU 96 7.715 -15.881 10.502 697 HG2 GLU 96 2HG GLU 96 10.067 -15.342 10.284 698 HG3 GLU 96 1HG GLU 96 9.773 -13.730 10.930 699 H GLY 97 H GLY 97 6.611 -12.985 7.311 700 HA2 GLY 97 2HA GLY 97 4.640 -13.295 6.116 701 HA3 GLY 97 1HA GLY 97 4.267 -14.673 7.127 702 H GLU 98 H GLU 98 4.997 -12.106 9.143 703 HA GLU 98 HA GLU 98 2.158 -11.454 9.438 704 HB2 GLU 98 2HB GLU 98 4.522 -10.772 11.207 705 HB3 GLU 98 1HB GLU 98 2.823 -10.562 11.606 706 HG2 GLU 98 2HG GLU 98 2.525 -12.980 11.586 707 HG3 GLU 98 1HG GLU 98 4.211 -13.181 11.156 708 H PHE 99 H PHE 99 1.467 -9.429 8.902 709 HA PHE 99 HA PHE 99 3.482 -7.606 7.778 710 HB2 PHE 99 2HB PHE 99 0.548 -7.904 7.048 711 HB3 PHE 99 1HB PHE 99 1.690 -6.810 6.287 712 HD1 PHE 99 2HD PHE 99 0.670 -10.331 6.645 713 HD2 PHE 99 1HD PHE 99 3.222 -7.601 4.615 714 HE1 PHE 99 2HE PHE 99 1.205 -12.066 4.988 715 HE2 PHE 99 1HE PHE 99 3.755 -9.333 2.957 716 HZ PHE 99 HZ PHE 99 2.750 -11.569 3.143 717 H GLU 100 H GLU 100 3.676 -5.725 8.866 718 HA GLU 100 HA GLU 100 1.300 -4.660 10.195 719 HB2 GLU 100 2HB GLU 100 2.670 -3.870 12.055 720 HB3 GLU 100 1HB GLU 100 2.718 -5.620 11.920 721 HG2 GLU 100 2HG GLU 100 4.902 -5.438 10.788 722 HG3 GLU 100 1HG GLU 100 4.838 -3.692 11.035 723 H VAL 101 H VAL 101 1.138 -2.415 10.280 724 HA VAL 101 HA VAL 101 2.778 -0.964 8.312 725 HB VAL 101 HB VAL 101 0.212 -0.111 9.688 726 HG11 VAL 101 1HG1 VAL 101 1.489 1.755 8.895 727 HG12 VAL 101 2HG1 VAL 101 0.058 1.559 7.880 728 HG13 VAL 101 3HG1 VAL 101 1.637 1.026 7.298 729 HG21 VAL 101 3HG2 VAL 101 0.491 -1.265 6.919 730 HG22 VAL 101 1HG2 VAL 101 -0.989 -0.629 7.627 731 HG23 VAL 101 2HG2 VAL 101 -0.245 -2.079 8.303 732 H VAL 102 H VAL 102 4.319 0.334 9.200 733 HA VAL 102 HA VAL 102 3.834 1.340 11.905 734 HB VAL 102 HB VAL 102 6.539 0.776 10.647 735 HG11 VAL 102 1HG1 VAL 102 7.420 1.167 12.917 736 HG12 VAL 102 2HG1 VAL 102 5.795 1.604 13.446 737 HG13 VAL 102 3HG1 VAL 102 6.622 2.587 12.241 738 HG21 VAL 102 3HG2 VAL 102 6.742 -1.082 12.254 739 HG22 VAL 102 1HG2 VAL 102 5.410 -1.332 11.123 740 HG23 VAL 102 2HG2 VAL 102 5.079 -0.799 12.771 741 H ASP 103 H ASP 103 3.543 3.462 11.880 742 HA ASP 103 HA ASP 103 4.419 5.122 9.700 743 HB2 ASP 103 2HB ASP 103 2.345 5.676 10.907 744 HB3 ASP 103 1HB ASP 103 3.266 5.780 12.406 745 H VAL 104 H VAL 104 6.287 6.197 9.631 746 HA VAL 104 HA VAL 104 7.945 6.086 12.039 747 HB VAL 104 HB VAL 104 9.942 5.916 10.548 748 HG11 VAL 104 1HG1 VAL 104 9.076 3.957 11.687 749 HG12 VAL 104 2HG1 VAL 104 9.677 3.517 10.088 750 HG13 VAL 104 3HG1 VAL 104 7.940 3.669 10.370 751 HG21 VAL 104 3HG2 VAL 104 9.625 5.133 8.238 752 HG22 VAL 104 1HG2 VAL 104 8.936 6.740 8.473 753 HG23 VAL 104 2HG2 VAL 104 7.883 5.326 8.413 754 H GLY 105 H GLY 105 6.184 8.229 10.980 755 HA2 GLY 105 2HA GLY 105 8.038 10.335 11.380 756 HA3 GLY 105 1HA GLY 105 7.664 10.188 9.676 757 H SER 106 H SER 106 4.868 9.400 10.100 758 HA SER 106 HA SER 106 2.882 10.433 9.974 759 HB2 SER 106 2HB SER 106 3.960 12.006 12.346 760 HB3 SER 106 1HB SER 106 2.261 11.910 11.883 761 HG SER 106 HG SER 106 3.591 9.491 12.208 762 H LEU 107 H LEU 107 4.999 11.321 8.427 763 HA LEU 107 HA LEU 107 5.357 14.087 8.328 764 HB2 LEU 107 2HB LEU 107 6.817 12.240 7.379 765 HB3 LEU 107 1HB LEU 107 5.689 12.127 6.058 766 HG LEU 107 HG LEU 107 7.224 14.658 6.663 767 HD11 LEU 107 1HD1 LEU 107 8.728 13.907 4.810 768 HD12 LEU 107 2HD1 LEU 107 7.993 12.296 4.967 769 HD13 LEU 107 3HD1 LEU 107 8.875 12.999 6.307 770 HD21 LEU 107 3HD2 LEU 107 5.268 14.914 5.191 771 HD22 LEU 107 1HD2 LEU 107 5.901 13.649 4.137 772 HD23 LEU 107 2HD2 LEU 107 6.776 15.169 4.310 773 H ASN 108 H ASN 108 3.186 12.008 6.297 774 HA ASN 108 HA ASN 108 1.882 14.544 5.548 775 HB2 ASN 108 2HB ASN 108 2.728 12.902 3.742 776 HB3 ASN 108 1HB ASN 108 1.413 11.849 4.236 777 HD21 ASN 108 1HD2 ASN 108 1.911 13.079 1.660 778 HD22 ASN 108 2HD2 ASN 108 0.520 14.042 1.313 779 H GLY 109 H GLY 109 1.560 11.729 7.363 780 HA2 GLY 109 2HA GLY 109 -0.141 11.619 9.082 781 HA3 GLY 109 1HA GLY 109 -1.270 12.339 7.931 782 H THR 110 H THR 110 0.029 9.438 9.169 783 HA THR 110 HA THR 110 -0.815 7.859 6.905 784 HB THR 110 HB THR 110 0.273 6.934 9.574 785 HG1 THR 110 1HG THR 110 2.152 7.525 8.869 786 HG21 THR 110 3HG2 THR 110 0.906 4.920 8.311 787 HG22 THR 110 1HG2 THR 110 0.191 5.604 6.851 788 HG23 THR 110 2HG2 THR 110 -0.836 5.185 8.220 789 H TYR 111 H TYR 111 -2.732 6.955 6.771 790 HA TYR 111 HA TYR 111 -4.393 6.690 9.173 791 HB2 TYR 111 2HB TYR 111 -5.070 6.999 6.277 792 HB3 TYR 111 1HB TYR 111 -6.271 6.588 7.494 793 HD1 TYR 111 1HD TYR 111 -3.966 9.249 6.310 794 HD2 TYR 111 2HD TYR 111 -7.256 8.281 8.811 795 HE1 TYR 111 1HE TYR 111 -4.395 11.645 6.672 796 HE2 TYR 111 2HE TYR 111 -7.688 10.660 9.184 797 HH TYR 111 HH TYR 111 -6.199 13.049 7.314 798 H VAL 112 H VAL 112 -4.793 4.671 9.726 799 HA VAL 112 HA VAL 112 -4.524 2.570 7.684 800 HB VAL 112 HB VAL 112 -4.016 2.168 10.662 801 HG11 VAL 112 1HG1 VAL 112 -4.734 0.173 9.499 802 HG12 VAL 112 2HG1 VAL 112 -3.032 0.027 9.944 803 HG13 VAL 112 3HG1 VAL 112 -3.479 0.400 8.285 804 HG21 VAL 112 3HG2 VAL 112 -2.256 3.616 9.781 805 HG22 VAL 112 1HG2 VAL 112 -1.954 2.473 8.474 806 HG23 VAL 112 2HG2 VAL 112 -1.615 2.014 10.142 807 H ASN 113 H ASN 113 -6.299 1.311 7.508 808 HA ASN 113 HA ASN 113 -8.525 1.065 7.359 809 HB2 ASN 113 2HB ASN 113 -7.861 -0.126 9.612 810 HB3 ASN 113 1HB ASN 113 -8.640 1.246 10.387 811 HD21 ASN 113 1HD2 ASN 113 -9.277 -1.609 10.338 812 HD22 ASN 113 2HD2 ASN 113 -10.923 -1.755 9.842 813 H ARG 114 H ARG 114 -7.576 3.549 7.054 814 HA ARG 114 HA ARG 114 -8.156 5.763 6.769 815 HB2 ARG 114 2HB ARG 114 -10.818 4.560 7.384 816 HB3 ARG 114 1HB ARG 114 -10.638 6.279 7.070 817 HG2 ARG 114 2HG ARG 114 -9.907 5.889 4.858 818 HG3 ARG 114 1HG ARG 114 -9.674 4.167 5.169 819 HD2 ARG 114 2HD ARG 114 -12.373 5.431 5.477 820 HD3 ARG 114 1HD ARG 114 -11.784 4.935 3.894 821 HE ARG 114 HE ARG 114 -11.907 2.727 4.512 822 HH11 ARG 114 1HH1 ARG 114 -12.866 4.748 7.265 823 HH12 ARG 114 2HH1 ARG 114 -13.532 3.458 8.151 824 HH21 ARG 114 1HH2 ARG 114 -12.835 0.996 5.689 825 HH22 ARG 114 2HH2 ARG 114 -13.520 1.280 7.230 826 H GLU 115 H GLU 115 -7.761 4.595 9.704 827 HA GLU 115 HA GLU 115 -8.587 7.071 11.053 828 HB2 GLU 115 2HB GLU 115 -7.513 4.497 12.214 829 HB3 GLU 115 1HB GLU 115 -8.016 5.899 13.138 830 HG2 GLU 115 2HG GLU 115 -10.311 5.563 12.221 831 HG3 GLU 115 1HG GLU 115 -9.735 4.044 11.525 832 HA PRO 116 HA PRO 116 -4.303 8.372 10.797 833 HB2 PRO 116 2HB PRO 116 -4.333 10.155 12.907 834 HB3 PRO 116 1HB PRO 116 -4.914 10.559 11.290 835 HG2 PRO 116 2HG PRO 116 -6.462 9.786 13.722 836 HG3 PRO 116 1HG PRO 116 -6.859 10.979 12.474 837 HD2 PRO 116 2HD PRO 116 -7.999 8.524 12.570 838 HD3 PRO 116 1HD PRO 116 -7.708 9.378 11.043 839 H ARG 117 H ARG 117 -2.642 7.218 11.622 840 HA ARG 117 HA ARG 117 -2.745 6.342 14.408 841 HB2 ARG 117 2HB ARG 117 -4.154 4.854 12.863 842 HB3 ARG 117 1HB ARG 117 -2.623 4.337 12.186 843 HG2 ARG 117 2HG ARG 117 -1.942 3.614 14.460 844 HG3 ARG 117 1HG ARG 117 -3.583 4.001 14.999 845 HD2 ARG 117 2HD ARG 117 -2.751 2.067 12.907 846 HD3 ARG 117 1HD ARG 117 -3.437 1.645 14.493 847 HE ARG 117 HE ARG 117 -4.811 2.812 12.165 848 HH11 ARG 117 1HH1 ARG 117 -5.115 1.268 15.345 849 HH12 ARG 117 2HH1 ARG 117 -6.807 1.102 15.221 850 HH21 ARG 117 1HH2 ARG 117 -7.061 2.487 11.970 851 HH22 ARG 117 2HH2 ARG 117 -7.976 1.897 13.261 852 H ASN 118 H ASN 118 -0.764 5.027 14.895 853 HA ASN 118 HA ASN 118 1.438 5.770 13.149 854 HB2 ASN 118 2HB ASN 118 1.746 6.526 15.451 855 HB3 ASN 118 1HB ASN 118 1.476 4.898 16.050 856 HD21 ASN 118 1HD2 ASN 118 3.760 7.017 14.451 857 HD22 ASN 118 2HD2 ASN 118 5.104 5.947 14.580 858 H ALA 119 H ALA 119 0.683 2.991 15.272 859 HA ALA 119 HA ALA 119 1.874 1.287 13.203 860 HB1 ALA 119 1HB ALA 119 2.709 -0.121 15.014 861 HB2 ALA 119 2HB ALA 119 2.039 1.009 16.189 862 HB3 ALA 119 3HB ALA 119 3.344 1.520 15.121 863 H GLN 120 H GLN 120 0.779 -0.465 12.644 864 HA GLN 120 HA GLN 120 -1.393 -1.489 14.284 865 HB2 GLN 120 2HB GLN 120 -2.488 0.246 13.112 866 HB3 GLN 120 1HB GLN 120 -1.830 -0.273 11.561 867 HG2 GLN 120 2HG GLN 120 -4.163 -0.865 11.751 868 HG3 GLN 120 1HG GLN 120 -3.182 -2.327 11.757 869 HE21 GLN 120 1HE2 GLN 120 -4.615 -3.565 12.782 870 HE22 GLN 120 2HE2 GLN 120 -5.109 -3.334 14.429 871 H VAL 121 H VAL 121 -1.550 -3.677 14.014 872 HA VAL 121 HA VAL 121 -0.036 -5.088 12.073 873 HB VAL 121 HB VAL 121 -2.515 -6.037 13.588 874 HG11 VAL 121 1HG1 VAL 121 -0.382 -7.636 12.158 875 HG12 VAL 121 2HG1 VAL 121 -2.048 -7.430 11.622 876 HG13 VAL 121 3HG1 VAL 121 -1.702 -8.318 13.107 877 HG21 VAL 121 3HG2 VAL 121 -0.697 -5.368 15.081 878 HG22 VAL 121 1HG2 VAL 121 0.402 -6.436 14.214 879 HG23 VAL 121 2HG2 VAL 121 -0.947 -7.119 15.120 880 H MET 122 H MET 122 -0.655 -5.776 10.021 881 HA MET 122 HA MET 122 -2.666 -4.015 8.868 882 HB2 MET 122 2HB MET 122 -0.353 -4.268 7.971 883 HB3 MET 122 1HB MET 122 -0.703 -5.944 7.621 884 HG2 MET 122 2HG MET 122 -2.523 -5.141 6.095 885 HG3 MET 122 1HG MET 122 -1.903 -3.510 6.341 886 HE1 MET 122 3HE MET 122 1.292 -4.184 6.579 887 HE2 MET 122 1HE MET 122 0.675 -2.813 5.654 888 HE3 MET 122 2HE MET 122 1.799 -3.947 4.906 889 H GLN 123 H GLN 123 -4.607 -4.751 8.209 890 HA GLN 123 HA GLN 123 -5.055 -7.634 8.284 891 HB2 GLN 123 2HB GLN 123 -7.317 -7.191 9.037 892 HB3 GLN 123 1HB GLN 123 -6.198 -6.349 10.091 893 HG2 GLN 123 2HG GLN 123 -6.668 -4.275 8.742 894 HG3 GLN 123 1HG GLN 123 -7.984 -5.170 7.970 895 HE21 GLN 123 1HE2 GLN 123 -6.908 -3.513 10.703 896 HE22 GLN 123 2HE2 GLN 123 -8.320 -3.628 11.687 897 H THR 124 H THR 124 -6.439 -8.478 6.662 898 HA THR 124 HA THR 124 -6.119 -7.117 4.170 899 HB THR 124 HB THR 124 -5.905 -9.589 4.378 900 HG1 THR 124 1HG THR 124 -6.244 -9.131 2.388 901 HG21 THR 124 3HG2 THR 124 -8.902 -9.535 4.785 902 HG22 THR 124 1HG2 THR 124 -7.701 -10.067 5.960 903 HG23 THR 124 2HG2 THR 124 -7.950 -10.987 4.474 904 H GLY 125 H GLY 125 -7.556 -5.869 3.073 905 HA2 GLY 125 2HA GLY 125 -9.721 -5.116 2.537 906 HA3 GLY 125 1HA GLY 125 -10.306 -5.744 4.074 907 H ASP 126 H ASP 126 -7.441 -4.327 4.743 908 HA ASP 126 HA ASP 126 -8.624 -2.050 6.049 909 HB2 ASP 126 2HB ASP 126 -6.667 -3.452 6.897 910 HB3 ASP 126 1HB ASP 126 -5.690 -2.685 5.663 911 H GLU 127 H GLU 127 -8.180 0.120 5.532 912 HA GLU 127 HA GLU 127 -7.063 0.533 2.851 913 HB2 GLU 127 2HB GLU 127 -9.188 2.109 4.301 914 HB3 GLU 127 1HB GLU 127 -8.440 2.616 2.794 915 HG2 GLU 127 2HG GLU 127 -9.348 0.706 1.653 916 HG3 GLU 127 1HG GLU 127 -9.978 0.068 3.168 917 H ILE 128 H ILE 128 -5.327 1.662 2.815 918 HA ILE 128 HA ILE 128 -4.434 2.997 5.264 919 HB ILE 128 HB ILE 128 -2.798 1.899 2.941 920 HG12 ILE 128 2HG1 ILE 128 -3.139 0.763 5.734 921 HG13 ILE 128 1HG1 ILE 128 -3.942 0.140 4.299 922 HG21 ILE 128 1HG2 ILE 128 -1.709 3.777 4.081 923 HG22 ILE 128 2HG2 ILE 128 -0.861 2.268 4.419 924 HG23 ILE 128 3HG2 ILE 128 -1.924 2.972 5.635 925 HD11 ILE 128 3HD1 ILE 128 -0.973 0.189 4.796 926 HD12 ILE 128 1HD1 ILE 128 -1.760 -0.431 3.345 927 HD13 ILE 128 2HD1 ILE 128 -2.029 -1.219 4.897 928 H GLN 129 H GLN 129 -4.623 5.116 5.047 929 HA GLN 129 HA GLN 129 -4.520 6.211 2.341 930 HB2 GLN 129 2HB GLN 129 -6.723 6.475 3.365 931 HB3 GLN 129 1HB GLN 129 -6.047 7.296 4.742 932 HG2 GLN 129 2HG GLN 129 -5.381 9.158 3.291 933 HG3 GLN 129 1HG GLN 129 -6.074 8.310 1.907 934 HE21 GLN 129 1HE2 GLN 129 -7.627 9.916 1.505 935 HE22 GLN 129 2HE2 GLN 129 -8.966 10.160 2.562 936 H ILE 130 H ILE 130 -3.007 7.509 1.844 937 HA ILE 130 HA ILE 130 -1.324 8.574 3.967 938 HB ILE 130 HB ILE 130 -0.646 7.662 1.160 939 HG12 ILE 130 2HG1 ILE 130 0.416 6.916 3.895 940 HG13 ILE 130 1HG1 ILE 130 -0.642 5.947 2.884 941 HG21 ILE 130 1HG2 ILE 130 1.166 9.293 2.958 942 HG22 ILE 130 2HG2 ILE 130 0.447 9.828 1.446 943 HG23 ILE 130 3HG2 ILE 130 1.634 8.527 1.442 944 HD11 ILE 130 3HD1 ILE 130 1.632 5.122 2.838 945 HD12 ILE 130 1HD1 ILE 130 2.206 6.693 2.277 946 HD13 ILE 130 2HD1 ILE 130 1.155 5.716 1.249 947 H GLY 131 H GLY 131 -1.816 10.549 4.320 948 HA2 GLY 131 2HA GLY 131 -2.305 12.742 3.949 949 HA3 GLY 131 1HA GLY 131 -1.890 12.493 2.251 950 H LYS 132 H LYS 132 -3.465 12.323 0.811 951 HA LYS 132 HA LYS 132 -6.176 12.070 1.897 952 HB2 LYS 132 2HB LYS 132 -7.042 13.401 0.064 953 HB3 LYS 132 1HB LYS 132 -5.888 14.315 1.014 954 HG2 LYS 132 2HG LYS 132 -4.195 14.043 -0.702 955 HG3 LYS 132 1HG LYS 132 -5.267 12.997 -1.633 956 HD2 LYS 132 2HD LYS 132 -5.812 15.899 -0.970 957 HD3 LYS 132 1HD LYS 132 -5.196 15.313 -2.515 958 HE2 LYS 132 2HE LYS 132 -7.229 13.988 -2.833 959 HE3 LYS 132 1HE LYS 132 -7.860 14.548 -1.287 960 HZ1 LYS 132 3HZ LYS 132 -7.272 16.256 -3.629 961 HZ2 LYS 132 1HZ LYS 132 -7.920 16.794 -2.171 962 HZ3 LYS 132 2HZ LYS 132 -8.789 15.737 -3.168 963 H PHE 133 H PHE 133 -3.904 10.534 -0.074 964 HA PHE 133 HA PHE 133 -6.068 9.381 -1.629 965 HB2 PHE 133 2HB PHE 133 -4.401 8.549 -3.231 966 HB3 PHE 133 1HB PHE 133 -4.314 10.288 -3.051 967 HD1 PHE 133 1HD PHE 133 -2.356 11.296 -1.897 968 HD2 PHE 133 2HD PHE 133 -2.588 7.129 -2.734 969 HE1 PHE 133 1HE PHE 133 0.082 11.106 -1.631 970 HE2 PHE 133 2HE PHE 133 -0.155 6.931 -2.459 971 HZ PHE 133 HZ PHE 133 1.186 8.918 -1.921 972 H ARG 134 H ARG 134 -6.399 7.166 -1.765 973 HA ARG 134 HA ARG 134 -5.293 5.861 0.608 974 HB2 ARG 134 2HB ARG 134 -7.360 4.689 0.947 975 HB3 ARG 134 1HB ARG 134 -7.689 6.409 0.843 976 HG2 ARG 134 2HG ARG 134 -8.483 6.123 -1.455 977 HG3 ARG 134 1HG ARG 134 -8.118 4.399 -1.367 978 HD2 ARG 134 2HD ARG 134 -10.474 4.720 -0.990 979 HD3 ARG 134 1HD ARG 134 -9.721 4.208 0.520 980 HE ARG 134 HE ARG 134 -9.895 7.044 0.226 981 HH11 ARG 134 1HH1 ARG 134 -11.630 4.142 1.404 982 HH12 ARG 134 2HH1 ARG 134 -12.756 5.037 2.302 983 HH21 ARG 134 1HH2 ARG 134 -11.405 8.246 1.546 984 HH22 ARG 134 2HH2 ARG 134 -12.589 7.431 2.428 985 H LEU 135 H LEU 135 -4.702 3.835 0.588 986 HA LEU 135 HA LEU 135 -4.665 2.401 -1.951 987 HB2 LEU 135 2HB LEU 135 -2.793 2.182 0.436 988 HB3 LEU 135 1HB LEU 135 -2.720 1.179 -0.989 989 HG LEU 135 HG LEU 135 -2.186 3.313 -2.290 990 HD11 LEU 135 1HD1 LEU 135 -1.188 5.158 -1.057 991 HD12 LEU 135 2HD1 LEU 135 -1.652 4.402 0.466 992 HD13 LEU 135 3HD1 LEU 135 -2.895 4.963 -0.656 993 HD21 LEU 135 3HD2 LEU 135 -0.522 1.630 -1.806 994 HD22 LEU 135 1HD2 LEU 135 -0.249 2.332 -0.211 995 HD23 LEU 135 2HD2 LEU 135 0.170 3.245 -1.658 996 H VAL 136 H VAL 136 -5.450 0.315 -1.825 997 HA VAL 136 HA VAL 136 -6.736 -0.342 0.742 998 HB VAL 136 HB VAL 136 -7.587 -1.289 -2.015 999 HG11 VAL 136 1HG1 VAL 136 -8.225 -2.814 -0.231 1000 HG12 VAL 136 2HG1 VAL 136 -9.645 -2.014 -0.899 1001 HG13 VAL 136 3HG1 VAL 136 -8.987 -1.488 0.648 1002 HG21 VAL 136 3HG2 VAL 136 -7.945 1.114 -1.848 1003 HG22 VAL 136 1HG2 VAL 136 -8.800 0.903 -0.324 1004 HG23 VAL 136 2HG2 VAL 136 -9.492 0.268 -1.816 1005 H PHE 137 H PHE 137 -6.104 -2.167 1.687 1006 HA PHE 137 HA PHE 137 -4.099 -3.741 0.294 1007 HB2 PHE 137 2HB PHE 137 -3.429 -2.919 2.456 1008 HB3 PHE 137 1HB PHE 137 -4.881 -3.570 3.205 1009 HD1 PHE 137 1HD PHE 137 -1.849 -4.632 1.334 1010 HD2 PHE 137 2HD PHE 137 -4.821 -5.628 4.183 1011 HE1 PHE 137 1HE PHE 137 -0.672 -6.707 1.813 1012 HE2 PHE 137 2HE PHE 137 -3.657 -7.734 4.683 1013 HZ PHE 137 HZ PHE 137 -1.587 -8.287 3.512 1014 H LEU 138 H LEU 138 -4.557 -5.644 -0.544 1015 HA LEU 138 HA LEU 138 -6.936 -7.061 0.431 1016 HB2 LEU 138 2HB LEU 138 -5.912 -6.950 -2.412 1017 HB3 LEU 138 1HB LEU 138 -7.139 -8.057 -1.855 1018 HG LEU 138 HG LEU 138 -8.512 -5.955 -1.286 1019 HD11 LEU 138 1HD1 LEU 138 -8.023 -3.976 -2.607 1020 HD12 LEU 138 2HD1 LEU 138 -6.523 -4.716 -3.167 1021 HD13 LEU 138 3HD1 LEU 138 -6.725 -4.320 -1.461 1022 HD21 LEU 138 3HD2 LEU 138 -7.901 -6.646 -4.153 1023 HD22 LEU 138 1HD2 LEU 138 -9.337 -5.799 -3.581 1024 HD23 LEU 138 2HD2 LEU 138 -9.052 -7.471 -3.101 1025 H ALA 139 H ALA 139 -6.838 -9.341 0.228 1026 HA ALA 139 HA ALA 139 -4.246 -10.460 0.740 1027 HB1 ALA 139 1HB ALA 139 -6.916 -11.796 0.232 1028 HB2 ALA 139 2HB ALA 139 -6.256 -11.385 1.815 1029 HB3 ALA 139 3HB ALA 139 -5.463 -12.606 0.817 1030 H GLY 140 H GLY 140 -2.884 -11.226 -0.767 1031 HA2 GLY 140 2HA GLY 140 -3.537 -10.769 -3.519 1032 HA3 GLY 140 1HA GLY 140 -1.998 -11.331 -2.881 1033 HA PRO 141 HA PRO 141 -4.733 -14.941 -4.511 1034 HB2 PRO 141 2HB PRO 141 -4.347 -14.845 -7.186 1035 HB3 PRO 141 1HB PRO 141 -5.729 -14.088 -6.386 1036 HG2 PRO 141 2HG PRO 141 -3.190 -12.847 -7.364 1037 HG3 PRO 141 1HG PRO 141 -4.849 -12.232 -7.480 1038 HD2 PRO 141 2HD PRO 141 -3.071 -11.368 -5.621 1039 HD3 PRO 141 1HD PRO 141 -4.822 -11.406 -5.337 1040 H ALA 142 H ALA 142 -3.837 -16.850 -5.476 1041 HA ALA 142 HA ALA 142 -0.974 -17.094 -5.031 1042 HB1 ALA 142 1HB ALA 142 -1.401 -19.504 -5.314 1043 HB2 ALA 142 2HB ALA 142 -3.061 -19.153 -5.788 1044 HB3 ALA 142 3HB ALA 142 -2.518 -18.796 -4.150 1045 H GLU 143 H GLU 143 -1.434 -15.470 -7.177 1046 HA GLU 143 HA GLU 143 -0.610 -17.095 -9.458 1047 HB2 GLU 143 2HB GLU 143 -3.077 -16.234 -9.427 1048 HB3 GLU 143 1HB GLU 143 -2.378 -14.655 -9.698 1049 HG2 GLU 143 2HG GLU 143 -1.992 -17.011 -11.541 1050 HG3 GLU 143 1HG GLU 143 -3.257 -15.810 -11.734 Start of MODEL 26 1 H1 MET 1 1HT MET 1 23.596 -9.139 17.380 2 H2 MET 1 2HT MET 1 23.525 -10.577 18.226 3 H3 MET 1 3HT MET 1 23.954 -10.600 16.614 4 HA MET 1 HA MET 1 25.444 -9.353 18.849 5 HB2 MET 1 2HB MET 1 25.471 -11.846 18.822 6 HB3 MET 1 1HB MET 1 26.143 -11.799 17.204 7 HG2 MET 1 2HG MET 1 28.143 -10.697 18.071 8 HG3 MET 1 1HG MET 1 27.461 -10.737 19.696 9 HE1 MET 1 2HE MET 1 29.591 -11.996 20.680 10 HE2 MET 1 3HE MET 1 30.335 -11.865 19.085 11 HE3 MET 1 1HE MET 1 30.311 -13.417 19.928 12 H SER 2 H SER 2 25.142 -9.746 15.327 13 HA SER 2 HA SER 2 27.430 -7.956 15.032 14 HB2 SER 2 2HB SER 2 27.734 -10.145 13.930 15 HB3 SER 2 1HB SER 2 26.253 -9.887 13.012 16 HG SER 2 HG SER 2 27.275 -8.569 11.707 17 H ASP 3 H ASP 3 26.866 -5.986 14.645 18 HA ASP 3 HA ASP 3 24.592 -5.420 12.888 19 HB2 ASP 3 2HB ASP 3 23.986 -3.466 14.213 20 HB3 ASP 3 1HB ASP 3 24.013 -4.865 15.267 21 H ASN 4 H ASN 4 24.990 -3.646 11.484 22 HA ASN 4 HA ASN 4 27.675 -2.538 11.620 23 HB2 ASN 4 2HB ASN 4 26.543 -4.038 9.271 24 HB3 ASN 4 1HB ASN 4 27.832 -2.859 9.088 25 HD21 ASN 4 1HD2 ASN 4 29.876 -3.377 9.794 26 HD22 ASN 4 2HD2 ASN 4 30.327 -4.966 10.281 27 H ASN 5 H ASN 5 27.952 -0.631 10.493 28 HA ASN 5 HA ASN 5 25.464 0.863 10.091 29 HB2 ASN 5 2HB ASN 5 28.282 1.659 10.729 30 HB3 ASN 5 1HB ASN 5 27.176 2.829 10.024 31 HD21 ASN 5 1HD2 ASN 5 25.981 0.378 12.247 32 HD22 ASN 5 2HD2 ASN 5 25.703 1.473 13.538 33 H GLY 6 H GLY 6 26.778 -1.024 8.168 34 HA2 GLY 6 2HA GLY 6 27.715 0.601 5.997 35 HA3 GLY 6 1HA GLY 6 27.361 -1.118 5.936 36 H THR 7 H THR 7 24.666 -0.383 7.194 37 HA THR 7 HA THR 7 23.226 -0.202 4.745 38 HB THR 7 HB THR 7 21.260 -0.199 6.417 39 HG1 THR 7 1HG THR 7 22.458 0.532 8.207 40 HG21 THR 7 3HG2 THR 7 22.046 -2.218 5.246 41 HG22 THR 7 1HG2 THR 7 21.524 -2.590 6.891 42 HG23 THR 7 2HG2 THR 7 23.244 -2.477 6.513 43 HA PRO 8 HA PRO 8 23.221 4.264 4.989 44 HB2 PRO 8 2HB PRO 8 21.781 4.751 2.760 45 HB3 PRO 8 1HB PRO 8 23.469 4.233 2.696 46 HG2 PRO 8 2HG PRO 8 20.980 2.610 2.342 47 HG3 PRO 8 1HG PRO 8 22.488 2.569 1.406 48 HD2 PRO 8 2HD PRO 8 21.907 0.756 3.341 49 HD3 PRO 8 1HD PRO 8 23.563 1.270 2.956 50 H GLU 9 H GLU 9 21.971 5.584 6.056 51 HA GLU 9 HA GLU 9 19.328 4.777 6.763 52 HB2 GLU 9 2HB GLU 9 20.878 7.275 7.504 53 HB3 GLU 9 1HB GLU 9 19.412 6.695 8.278 54 HG2 GLU 9 2HG GLU 9 20.618 4.701 9.049 55 HG3 GLU 9 1HG GLU 9 22.089 5.308 8.296 56 HA PRO 10 HA PRO 10 17.336 7.066 3.525 57 HB2 PRO 10 2HB PRO 10 15.370 7.926 5.560 58 HB3 PRO 10 1HB PRO 10 15.123 7.053 4.045 59 HG2 PRO 10 2HG PRO 10 14.954 5.813 6.411 60 HG3 PRO 10 1HG PRO 10 15.630 5.010 4.985 61 HD2 PRO 10 2HD PRO 10 17.066 6.161 7.351 62 HD3 PRO 10 1HD PRO 10 17.410 4.723 6.369 63 H GLN 11 H GLN 11 16.134 9.258 3.229 64 HA GLN 11 HA GLN 11 17.997 11.328 4.057 65 HB2 GLN 11 2HB GLN 11 15.599 11.464 2.212 66 HB3 GLN 11 1HB GLN 11 16.808 12.714 2.415 67 HG2 GLN 11 2HG GLN 11 18.489 11.243 1.428 68 HG3 GLN 11 1HG GLN 11 17.263 9.986 1.231 69 HE21 GLN 11 1HE2 GLN 11 18.424 13.038 0.095 70 HE22 GLN 11 2HE2 GLN 11 17.449 13.119 -1.326 71 H VAL 12 H VAL 12 17.388 12.977 5.386 72 HA VAL 12 HA VAL 12 14.726 12.730 6.567 73 HB VAL 12 HB VAL 12 17.257 13.824 7.830 74 HG11 VAL 12 1HG1 VAL 12 15.953 13.954 9.908 75 HG12 VAL 12 2HG1 VAL 12 14.512 13.438 9.034 76 HG13 VAL 12 3HG1 VAL 12 15.265 14.985 8.651 77 HG21 VAL 12 3HG2 VAL 12 15.726 11.284 8.384 78 HG22 VAL 12 1HG2 VAL 12 17.104 11.870 9.317 79 HG23 VAL 12 2HG2 VAL 12 17.315 11.402 7.629 80 H GLU 13 H GLU 13 13.432 14.292 6.134 81 HA GLU 13 HA GLU 13 14.447 16.929 5.376 82 HB2 GLU 13 2HB GLU 13 12.040 15.394 4.424 83 HB3 GLU 13 1HB GLU 13 12.148 17.137 4.252 84 HG2 GLU 13 2HG GLU 13 14.120 15.164 3.133 85 HG3 GLU 13 1HG GLU 13 12.817 15.935 2.223 86 H THR 14 H THR 14 12.708 18.635 5.810 87 HA THR 14 HA THR 14 12.464 18.686 8.586 88 HB THR 14 HB THR 14 11.292 20.469 6.468 89 HG1 THR 14 1HG THR 14 13.381 21.553 7.551 90 HG21 THR 14 3HG2 THR 14 11.337 22.214 8.211 91 HG22 THR 14 1HG2 THR 14 11.948 21.038 9.373 92 HG23 THR 14 2HG2 THR 14 10.327 20.856 8.712 93 H TPO 15 H TPO 15 10.820 18.090 9.812 94 HA TPO 15 HA TPO 15 8.336 17.253 8.494 95 HB TPO 15 HB TPO 15 9.067 16.547 11.331 96 HG21 TPO 15 1HG2 TPO 15 6.794 16.039 10.498 97 HG22 TPO 15 2HG2 TPO 15 7.716 14.566 10.823 98 HG23 TPO 15 3HG2 TPO 15 7.510 15.127 9.167 99 H SER 16 H SER 16 6.822 18.682 8.637 100 HA SER 16 HA SER 16 6.523 20.442 10.924 101 HB2 SER 16 2HB SER 16 5.228 20.424 8.184 102 HB3 SER 16 1HB SER 16 5.006 21.654 9.426 103 HG SER 16 HG SER 16 6.662 22.574 8.656 104 H VAL 17 H VAL 17 4.334 20.526 11.882 105 HA VAL 17 HA VAL 17 3.084 17.917 11.853 106 HB VAL 17 HB VAL 17 2.260 20.435 13.348 107 HG11 VAL 17 1HG1 VAL 17 0.441 18.831 13.117 108 HG12 VAL 17 2HG1 VAL 17 0.987 18.919 14.791 109 HG13 VAL 17 3HG1 VAL 17 1.466 17.555 13.779 110 HG21 VAL 17 3HG2 VAL 17 3.904 18.094 14.312 111 HG22 VAL 17 1HG2 VAL 17 3.336 19.430 15.313 112 HG23 VAL 17 2HG2 VAL 17 4.499 19.728 14.016 113 H PHE 18 H PHE 18 1.627 17.453 10.361 114 HA PHE 18 HA PHE 18 0.286 19.634 8.951 115 HB2 PHE 18 2HB PHE 18 1.643 17.704 7.830 116 HB3 PHE 18 1HB PHE 18 0.231 16.728 8.190 117 HD1 PHE 18 1HD PHE 18 -1.954 17.265 7.086 118 HD2 PHE 18 2HD PHE 18 1.666 19.252 6.059 119 HE1 PHE 18 1HE PHE 18 -2.968 18.026 4.970 120 HE2 PHE 18 2HE PHE 18 0.665 20.017 3.957 121 HZ PHE 18 HZ PHE 18 -1.659 19.407 3.407 122 H ARG 19 H ARG 19 -1.846 19.897 9.161 123 HA ARG 19 HA ARG 19 -3.361 17.844 10.577 124 HB2 ARG 19 2HB ARG 19 -2.822 19.506 12.195 125 HB3 ARG 19 1HB ARG 19 -3.264 20.799 11.109 126 HG2 ARG 19 2HG ARG 19 -5.599 20.246 11.305 127 HG3 ARG 19 1HG ARG 19 -5.215 18.818 12.271 128 HD2 ARG 19 2HD ARG 19 -5.965 20.880 13.558 129 HD3 ARG 19 1HD ARG 19 -4.465 20.135 14.096 130 HE ARG 19 HE ARG 19 -3.281 21.858 12.888 131 HH11 ARG 19 1HH1 ARG 19 -6.679 22.551 13.633 132 HH12 ARG 19 2HH1 ARG 19 -6.494 24.224 13.672 133 HH21 ARG 19 1HH2 ARG 19 -3.005 24.190 12.951 134 HH22 ARG 19 2HH2 ARG 19 -4.349 25.186 13.292 135 H ALA 20 H ALA 20 -4.636 17.101 9.061 136 HA ALA 20 HA ALA 20 -6.136 18.997 7.410 137 HB1 ALA 20 1HB ALA 20 -5.433 16.111 6.841 138 HB2 ALA 20 2HB ALA 20 -4.657 17.517 6.118 139 HB3 ALA 20 3HB ALA 20 -6.353 17.180 5.779 140 H ASP 21 H ASP 21 -8.337 18.754 7.362 141 HA ASP 21 HA ASP 21 -9.452 17.391 9.667 142 HB2 ASP 21 2HB ASP 21 -11.509 18.549 9.261 143 HB3 ASP 21 1HB ASP 21 -10.209 19.701 8.985 144 H LEU 22 H LEU 22 -8.696 16.299 6.742 145 HA LEU 22 HA LEU 22 -11.041 14.979 5.947 146 HB2 LEU 22 2HB LEU 22 -9.549 13.530 4.517 147 HB3 LEU 22 1HB LEU 22 -9.474 15.254 4.246 148 HG LEU 22 HG LEU 22 -7.339 15.273 5.590 149 HD11 LEU 22 1HD1 LEU 22 -6.121 13.185 5.855 150 HD12 LEU 22 2HD1 LEU 22 -7.532 12.288 5.294 151 HD13 LEU 22 3HD1 LEU 22 -7.607 13.194 6.803 152 HD21 LEU 22 3HD2 LEU 22 -7.395 13.608 3.087 153 HD22 LEU 22 1HD2 LEU 22 -5.979 14.420 3.752 154 HD23 LEU 22 2HD2 LEU 22 -7.347 15.369 3.169 155 H LEU 23 H LEU 23 -9.175 14.277 8.605 156 HA LEU 23 HA LEU 23 -9.571 11.485 8.776 157 HB2 LEU 23 2HB LEU 23 -9.080 11.899 11.233 158 HB3 LEU 23 1HB LEU 23 -7.843 12.359 10.090 159 HG LEU 23 HG LEU 23 -8.680 14.749 10.335 160 HD11 LEU 23 1HD1 LEU 23 -10.860 14.346 11.292 161 HD12 LEU 23 2HD1 LEU 23 -9.879 15.340 12.369 162 HD13 LEU 23 3HD1 LEU 23 -10.124 13.629 12.725 163 HD21 LEU 23 3HD2 LEU 23 -7.530 13.381 12.751 164 HD22 LEU 23 1HD2 LEU 23 -7.472 15.110 12.417 165 HD23 LEU 23 2HD2 LEU 23 -6.632 13.981 11.353 166 H LYS 24 H LYS 24 -11.619 14.048 8.992 167 HA LYS 24 HA LYS 24 -13.676 13.344 10.781 168 HB2 LYS 24 2HB LYS 24 -13.278 15.508 9.832 169 HB3 LYS 24 1HB LYS 24 -13.553 14.905 8.217 170 HG2 LYS 24 2HG LYS 24 -15.942 14.520 8.876 171 HG3 LYS 24 1HG LYS 24 -15.582 15.358 10.396 172 HD2 LYS 24 2HD LYS 24 -15.124 16.522 7.639 173 HD3 LYS 24 1HD LYS 24 -16.509 16.891 8.658 174 HE2 LYS 24 2HE LYS 24 -15.108 17.939 10.302 175 HE3 LYS 24 1HE LYS 24 -13.645 17.365 9.522 176 HZ1 LYS 24 3HZ LYS 24 -14.222 19.719 9.148 177 HZ2 LYS 24 1HZ LYS 24 -15.534 19.245 8.228 178 HZ3 LYS 24 2HZ LYS 24 -13.941 18.862 7.736 179 H GLU 25 H GLU 25 -12.693 12.149 7.702 180 HA GLU 25 HA GLU 25 -15.086 11.359 6.539 181 HB2 GLU 25 2HB GLU 25 -12.863 11.519 5.422 182 HB3 GLU 25 1HB GLU 25 -12.395 10.031 6.229 183 HG2 GLU 25 2HG GLU 25 -13.076 9.646 3.912 184 HG3 GLU 25 1HG GLU 25 -14.138 8.823 5.056 185 H MET 26 H MET 26 -13.447 10.007 9.221 186 HA MET 26 HA MET 26 -14.288 7.351 9.076 187 HB2 MET 26 2HB MET 26 -14.009 7.204 11.502 188 HB3 MET 26 1HB MET 26 -12.675 8.089 10.788 189 HG2 MET 26 2HG MET 26 -13.605 10.182 11.557 190 HG3 MET 26 1HG MET 26 -15.039 9.355 12.159 191 HE1 MET 26 3HE MET 26 -14.749 10.499 14.531 192 HE2 MET 26 1HE MET 26 -13.324 11.355 13.941 193 HE3 MET 26 2HE MET 26 -13.251 10.463 15.461 194 H GLU 27 H GLU 27 -16.047 10.238 10.202 195 HA GLU 27 HA GLU 27 -18.253 8.556 11.006 196 HB2 GLU 27 2HB GLU 27 -19.246 10.586 11.940 197 HB3 GLU 27 1HB GLU 27 -17.632 10.306 12.561 198 HG2 GLU 27 2HG GLU 27 -16.771 12.000 10.992 199 HG3 GLU 27 1HG GLU 27 -18.426 12.303 10.454 200 H SER 28 H SER 28 -17.356 10.561 8.311 201 HA SER 28 HA SER 28 -20.057 10.724 7.449 202 HB2 SER 28 2HB SER 28 -18.911 11.598 5.301 203 HB3 SER 28 1HB SER 28 -18.786 12.566 6.771 204 HG SER 28 HG SER 28 -16.854 10.988 5.481 205 H SER 29 H SER 29 -17.306 8.606 6.738 206 HA SER 29 HA SER 29 -18.803 7.223 4.702 207 HB2 SER 29 2HB SER 29 -16.277 6.400 6.147 208 HB3 SER 29 1HB SER 29 -16.963 5.579 4.747 209 HG SER 29 HG SER 29 -16.402 8.348 4.541 210 H THR 30 H THR 30 -17.868 6.530 8.078 211 HA THR 30 HA THR 30 -18.343 4.954 9.510 212 HB THR 30 HB THR 30 -21.147 5.668 8.645 213 HG1 THR 30 1HG THR 30 -20.569 7.465 9.612 214 HG21 THR 30 3HG2 THR 30 -21.823 4.914 10.892 215 HG22 THR 30 1HG2 THR 30 -20.166 4.393 11.208 216 HG23 THR 30 2HG2 THR 30 -21.121 3.579 9.973 217 H GLY 31 H GLY 31 -20.818 3.939 7.118 218 HA2 GLY 31 2HA GLY 31 -20.563 1.227 7.979 219 HA3 GLY 31 1HA GLY 31 -21.631 1.841 6.735 220 H THR 32 H THR 32 -18.187 1.398 7.263 221 HA THR 32 HA THR 32 -18.014 0.108 4.629 222 HB THR 32 HB THR 32 -15.758 1.355 6.228 223 HG1 THR 32 1HG THR 32 -17.623 2.407 4.475 224 HG21 THR 32 3HG2 THR 32 -14.507 1.143 4.128 225 HG22 THR 32 1HG2 THR 32 -15.930 0.458 3.337 226 HG23 THR 32 2HG2 THR 32 -15.129 -0.428 4.630 227 H ALA 33 H ALA 33 -17.684 -2.080 4.809 228 HA ALA 33 HA ALA 33 -16.647 -3.023 7.372 229 HB1 ALA 33 1HB ALA 33 -18.397 -4.469 5.399 230 HB2 ALA 33 2HB ALA 33 -18.939 -3.710 6.898 231 HB3 ALA 33 3HB ALA 33 -17.838 -5.088 6.952 232 HA PRO 34 HA PRO 34 -13.095 -4.216 4.786 233 HB2 PRO 34 2HB PRO 34 -12.343 -5.263 7.481 234 HB3 PRO 34 1HB PRO 34 -11.377 -4.309 6.348 235 HG2 PRO 34 2HG PRO 34 -12.372 -3.147 8.503 236 HG3 PRO 34 1HG PRO 34 -12.423 -2.307 6.942 237 HD2 PRO 34 2HD PRO 34 -14.615 -3.756 8.377 238 HD3 PRO 34 1HD PRO 34 -14.664 -2.207 7.506 239 H ALA 35 H ALA 35 -12.614 -6.196 3.943 240 HA ALA 35 HA ALA 35 -14.523 -8.294 4.470 241 HB1 ALA 35 1HB ALA 35 -13.613 -9.347 2.478 242 HB2 ALA 35 2HB ALA 35 -12.308 -8.164 2.430 243 HB3 ALA 35 3HB ALA 35 -13.973 -7.648 2.169 244 H SER 36 H SER 36 -14.166 -10.027 5.678 245 HA SER 36 HA SER 36 -11.487 -10.517 6.606 246 HB2 SER 36 2HB SER 36 -12.749 -12.039 8.238 247 HB3 SER 36 1HB SER 36 -13.011 -10.303 8.408 248 HG SER 36 HG SER 36 -14.666 -12.194 7.120 249 H THR 37 H THR 37 -10.791 -11.406 4.632 250 HA THR 37 HA THR 37 -12.051 -13.853 3.742 251 HB THR 37 HB THR 37 -11.405 -12.301 1.973 252 HG1 THR 37 1HG THR 37 -11.006 -13.961 0.822 253 HG21 THR 37 3HG2 THR 37 -9.534 -11.160 3.051 254 HG22 THR 37 1HG2 THR 37 -9.036 -11.799 1.486 255 HG23 THR 37 2HG2 THR 37 -8.565 -12.633 2.967 256 H GLY 38 H GLY 38 -9.287 -12.811 5.522 257 HA2 GLY 38 2HA GLY 38 -8.719 -14.924 6.970 258 HA3 GLY 38 1HA GLY 38 -8.093 -15.470 5.416 259 H ALA 39 H ALA 39 -7.999 -12.465 7.289 260 HA ALA 39 HA ALA 39 -5.368 -11.796 6.421 261 HB1 ALA 39 1HB ALA 39 -5.493 -10.025 8.111 262 HB2 ALA 39 2HB ALA 39 -6.964 -10.749 8.765 263 HB3 ALA 39 3HB ALA 39 -6.956 -10.080 7.131 264 H GLU 40 H GLU 40 -6.764 -13.288 9.245 265 HA GLU 40 HA GLU 40 -4.362 -13.406 10.785 266 HB2 GLU 40 2HB GLU 40 -5.635 -14.883 12.268 267 HB3 GLU 40 1HB GLU 40 -6.546 -13.439 11.860 268 HG2 GLU 40 2HG GLU 40 -7.887 -14.659 10.282 269 HG3 GLU 40 1HG GLU 40 -6.900 -16.099 10.502 270 H ASN 41 H ASN 41 -5.364 -15.135 8.100 271 HA ASN 41 HA ASN 41 -4.119 -17.653 8.906 272 HB2 ASN 41 2HB ASN 41 -5.735 -16.941 6.449 273 HB3 ASN 41 1HB ASN 41 -5.074 -18.531 6.798 274 HD21 ASN 41 1HD2 ASN 41 -6.046 -19.781 8.350 275 HD22 ASN 41 2HD2 ASN 41 -7.584 -19.401 9.029 276 H LEU 42 H LEU 42 -3.513 -14.766 7.389 277 HA LEU 42 HA LEU 42 -1.959 -13.912 6.064 278 HB2 LEU 42 2HB LEU 42 -0.516 -16.427 6.743 279 HB3 LEU 42 1HB LEU 42 0.278 -14.976 6.101 280 HG LEU 42 HG LEU 42 -0.995 -15.396 8.816 281 HD11 LEU 42 1HD1 LEU 42 1.853 -14.850 8.041 282 HD12 LEU 42 2HD1 LEU 42 1.194 -16.377 8.630 283 HD13 LEU 42 3HD1 LEU 42 1.241 -14.969 9.689 284 HD21 LEU 42 3HD2 LEU 42 -0.300 -13.101 9.363 285 HD22 LEU 42 1HD2 LEU 42 -1.501 -13.134 8.072 286 HD23 LEU 42 2HD2 LEU 42 0.198 -12.862 7.688 287 HA PRO 43 HA PRO 43 -4.386 -16.025 2.799 288 HB2 PRO 43 2HB PRO 43 -3.261 -14.219 0.877 289 HB3 PRO 43 1HB PRO 43 -4.882 -14.219 1.575 290 HG2 PRO 43 2HG PRO 43 -2.474 -12.685 2.392 291 HG3 PRO 43 1HG PRO 43 -4.190 -12.280 2.576 292 HD2 PRO 43 2HD PRO 43 -2.747 -12.971 4.661 293 HD3 PRO 43 1HD PRO 43 -4.408 -13.579 4.490 294 H ALA 44 H ALA 44 -1.255 -14.921 1.677 295 HA ALA 44 HA ALA 44 -0.694 -17.675 0.767 296 HB1 ALA 44 1HB ALA 44 -0.210 -15.154 -0.821 297 HB2 ALA 44 2HB ALA 44 -1.427 -16.380 -1.172 298 HB3 ALA 44 3HB ALA 44 0.287 -16.771 -1.305 299 H GLY 45 H GLY 45 0.125 -15.629 2.924 300 HA2 GLY 45 2HA GLY 45 2.086 -15.246 4.128 301 HA3 GLY 45 1HA GLY 45 2.971 -16.124 2.880 302 H SER 46 H SER 46 1.415 -14.222 0.996 303 HA SER 46 HA SER 46 2.889 -11.758 1.368 304 HB2 SER 46 2HB SER 46 2.668 -13.241 -1.273 305 HB3 SER 46 1HB SER 46 3.567 -11.764 -0.953 306 HG SER 46 HG SER 46 4.967 -13.596 -0.992 307 H ALA 47 H ALA 47 1.751 -10.034 0.301 308 HA ALA 47 HA ALA 47 -0.811 -10.537 -0.883 309 HB1 ALA 47 1HB ALA 47 -2.078 -9.219 0.758 310 HB2 ALA 47 2HB ALA 47 -0.627 -9.071 1.749 311 HB3 ALA 47 3HB ALA 47 -1.368 -10.653 1.505 312 H LEU 48 H LEU 48 -1.788 -8.406 -1.622 313 HA LEU 48 HA LEU 48 0.430 -6.578 -2.079 314 HB2 LEU 48 2HB LEU 48 -0.316 -6.260 -4.419 315 HB3 LEU 48 1HB LEU 48 0.249 -7.872 -4.084 316 HG LEU 48 HG LEU 48 -2.253 -8.497 -3.896 317 HD11 LEU 48 1HD1 LEU 48 -3.775 -7.145 -5.218 318 HD12 LEU 48 2HD1 LEU 48 -2.516 -5.937 -5.450 319 HD13 LEU 48 3HD1 LEU 48 -3.157 -6.234 -3.835 320 HD21 LEU 48 3HD2 LEU 48 -0.794 -9.249 -5.682 321 HD22 LEU 48 1HD2 LEU 48 -1.035 -7.728 -6.539 322 HD23 LEU 48 2HD2 LEU 48 -2.387 -8.843 -6.312 323 H LEU 49 H LEU 49 -0.069 -4.411 -2.431 324 HA LEU 49 HA LEU 49 -2.768 -3.723 -1.541 325 HB2 LEU 49 2HB LEU 49 -1.990 -1.755 -0.396 326 HB3 LEU 49 1HB LEU 49 -1.057 -3.104 0.180 327 HG LEU 49 HG LEU 49 -0.051 -1.016 -1.763 328 HD11 LEU 49 1HD1 LEU 49 -0.484 -0.100 0.450 329 HD12 LEU 49 2HD1 LEU 49 1.247 -0.203 0.128 330 HD13 LEU 49 3HD1 LEU 49 0.478 -1.389 1.177 331 HD21 LEU 49 3HD2 LEU 49 1.381 -3.240 -0.301 332 HD22 LEU 49 1HD2 LEU 49 2.162 -1.948 -1.215 333 HD23 LEU 49 2HD2 LEU 49 1.140 -3.108 -2.048 334 H VAL 50 H VAL 50 -3.835 -2.162 -2.607 335 HA VAL 50 HA VAL 50 -2.557 -1.343 -5.112 336 HB VAL 50 HB VAL 50 -4.319 -3.002 -5.522 337 HG11 VAL 50 1HG1 VAL 50 -6.679 -2.545 -5.063 338 HG12 VAL 50 2HG1 VAL 50 -6.211 -1.085 -4.189 339 HG13 VAL 50 3HG1 VAL 50 -5.719 -2.667 -3.588 340 HG21 VAL 50 3HG2 VAL 50 -5.687 -1.759 -7.149 341 HG22 VAL 50 1HG2 VAL 50 -3.987 -1.296 -7.233 342 HG23 VAL 50 2HG2 VAL 50 -5.147 -0.242 -6.428 343 H VAL 51 H VAL 51 -2.611 0.751 -5.685 344 HA VAL 51 HA VAL 51 -3.594 2.618 -3.712 345 HB VAL 51 HB VAL 51 -2.320 3.206 -6.411 346 HG11 VAL 51 1HG1 VAL 51 -1.800 5.396 -5.443 347 HG12 VAL 51 2HG1 VAL 51 -2.600 4.927 -3.944 348 HG13 VAL 51 3HG1 VAL 51 -3.537 5.094 -5.426 349 HG21 VAL 51 3HG2 VAL 51 -0.198 3.517 -5.209 350 HG22 VAL 51 1HG2 VAL 51 -0.785 1.860 -5.065 351 HG23 VAL 51 2HG2 VAL 51 -0.968 2.983 -3.716 352 H LYS 52 H LYS 52 -5.500 3.301 -3.764 353 HA LYS 52 HA LYS 52 -7.233 2.758 -6.045 354 HB2 LYS 52 2HB LYS 52 -7.796 1.946 -3.768 355 HB3 LYS 52 1HB LYS 52 -7.904 3.608 -3.230 356 HG2 LYS 52 2HG LYS 52 -10.096 2.733 -3.604 357 HG3 LYS 52 1HG LYS 52 -9.757 3.971 -4.813 358 HD2 LYS 52 2HD LYS 52 -9.270 2.267 -6.467 359 HD3 LYS 52 1HD LYS 52 -9.473 0.999 -5.259 360 HE2 LYS 52 2HE LYS 52 -11.603 2.902 -6.222 361 HE3 LYS 52 1HE LYS 52 -11.447 1.203 -6.667 362 HZ1 LYS 52 3HZ LYS 52 -12.003 2.250 -3.940 363 HZ2 LYS 52 1HZ LYS 52 -11.764 0.632 -4.316 364 HZ3 LYS 52 2HZ LYS 52 -13.082 1.458 -4.937 365 H ARG 53 H ARG 53 -5.905 5.365 -4.174 366 HA ARG 53 HA ARG 53 -7.029 7.281 -6.046 367 HB2 ARG 53 2HB ARG 53 -8.638 7.230 -4.173 368 HB3 ARG 53 1HB ARG 53 -7.330 7.529 -3.045 369 HG2 ARG 53 2HG ARG 53 -8.589 9.535 -3.395 370 HG3 ARG 53 1HG ARG 53 -6.963 9.722 -4.054 371 HD2 ARG 53 2HD ARG 53 -7.863 9.247 -6.295 372 HD3 ARG 53 1HD ARG 53 -9.481 9.128 -5.603 373 HE ARG 53 HE ARG 53 -8.431 11.563 -4.835 374 HH11 ARG 53 1HH1 ARG 53 -9.311 9.979 -7.856 375 HH12 ARG 53 2HH1 ARG 53 -9.762 11.413 -8.661 376 HH21 ARG 53 1HH2 ARG 53 -9.024 13.551 -5.917 377 HH22 ARG 53 2HH2 ARG 53 -9.572 13.527 -7.523 378 H GLY 54 H GLY 54 -5.641 8.918 -6.470 379 HA2 GLY 54 2HA GLY 54 -3.914 10.389 -5.399 380 HA3 GLY 54 1HA GLY 54 -3.079 8.873 -5.053 381 HA PRO 55 HA PRO 55 -1.907 10.626 -9.368 382 HB2 PRO 55 2HB PRO 55 0.751 10.149 -8.100 383 HB3 PRO 55 1HB PRO 55 0.247 11.438 -9.198 384 HG2 PRO 55 2HG PRO 55 0.528 11.938 -6.611 385 HG3 PRO 55 1HG PRO 55 -0.830 12.627 -7.514 386 HD2 PRO 55 2HD PRO 55 -0.803 10.338 -5.608 387 HD3 PRO 55 1HD PRO 55 -2.039 11.581 -5.855 388 H ASN 56 H ASN 56 -0.570 8.035 -7.331 389 HA ASN 56 HA ASN 56 -0.027 6.511 -9.749 390 HB2 ASN 56 2HB ASN 56 0.899 6.103 -6.907 391 HB3 ASN 56 1HB ASN 56 1.173 4.913 -8.179 392 HD21 ASN 56 1HD2 ASN 56 3.218 6.411 -6.682 393 HD22 ASN 56 2HD2 ASN 56 4.063 7.307 -7.874 394 H ALA 57 H ALA 57 -2.753 6.933 -8.617 395 HA ALA 57 HA ALA 57 -3.736 4.525 -7.539 396 HB1 ALA 57 1HB ALA 57 -5.195 6.501 -9.304 397 HB2 ALA 57 2HB ALA 57 -5.035 6.619 -7.553 398 HB3 ALA 57 3HB ALA 57 -5.940 5.285 -8.267 399 H GLY 58 H GLY 58 -4.434 2.685 -8.411 400 HA2 GLY 58 2HA GLY 58 -5.165 1.340 -10.259 401 HA3 GLY 58 1HA GLY 58 -4.224 2.375 -11.331 402 H ALA 59 H ALA 59 -2.104 2.296 -9.122 403 HA ALA 59 HA ALA 59 -0.728 -0.012 -10.193 404 HB1 ALA 59 1HB ALA 59 1.237 0.895 -9.059 405 HB2 ALA 59 2HB ALA 59 0.236 2.131 -8.298 406 HB3 ALA 59 3HB ALA 59 0.459 2.132 -10.047 407 H ARG 60 H ARG 60 -0.149 -1.759 -9.042 408 HA ARG 60 HA ARG 60 -0.916 -1.833 -6.224 409 HB2 ARG 60 2HB ARG 60 -1.736 -4.123 -6.480 410 HB3 ARG 60 1HB ARG 60 -2.635 -3.044 -7.528 411 HG2 ARG 60 2HG ARG 60 -1.249 -3.790 -9.431 412 HG3 ARG 60 1HG ARG 60 -0.439 -4.929 -8.357 413 HD2 ARG 60 2HD ARG 60 -2.665 -5.941 -7.870 414 HD3 ARG 60 1HD ARG 60 -3.360 -4.877 -9.095 415 HE ARG 60 HE ARG 60 -1.153 -6.609 -9.820 416 HH11 ARG 60 1HH1 ARG 60 -4.590 -5.865 -10.127 417 HH12 ARG 60 2HH1 ARG 60 -4.898 -6.998 -11.350 418 HH21 ARG 60 1HH2 ARG 60 -1.551 -8.200 -11.501 419 HH22 ARG 60 2HH2 ARG 60 -3.098 -8.371 -12.170 420 H PHE 61 H PHE 61 0.529 -2.839 -4.911 421 HA PHE 61 HA PHE 61 2.917 -3.940 -6.228 422 HB2 PHE 61 2HB PHE 61 2.861 -2.175 -3.765 423 HB3 PHE 61 1HB PHE 61 4.296 -2.926 -4.442 424 HD1 PHE 61 2HD PHE 61 5.185 -2.146 -6.624 425 HD2 PHE 61 1HD PHE 61 1.963 -0.163 -4.673 426 HE1 PHE 61 2HE PHE 61 5.546 -0.170 -8.041 427 HE2 PHE 61 1HE PHE 61 2.316 1.814 -6.089 428 HZ PHE 61 HZ PHE 61 4.111 1.812 -7.778 429 H LEU 62 H LEU 62 3.732 -5.753 -5.305 430 HA LEU 62 HA LEU 62 2.022 -6.962 -3.290 431 HB2 LEU 62 2HB LEU 62 2.375 -8.094 -5.495 432 HB3 LEU 62 1HB LEU 62 4.069 -8.240 -5.126 433 HG LEU 62 HG LEU 62 1.978 -9.572 -3.392 434 HD11 LEU 62 1HD1 LEU 62 2.295 -11.587 -4.735 435 HD12 LEU 62 2HD1 LEU 62 3.327 -10.690 -5.848 436 HD13 LEU 62 3HD1 LEU 62 1.615 -10.285 -5.712 437 HD21 LEU 62 3HD2 LEU 62 4.259 -9.466 -2.494 438 HD22 LEU 62 1HD2 LEU 62 4.879 -10.191 -3.978 439 HD23 LEU 62 2HD2 LEU 62 3.819 -11.121 -2.924 440 H LEU 63 H LEU 63 2.747 -7.523 -1.314 441 HA LEU 63 HA LEU 63 5.403 -6.565 -0.605 442 HB2 LEU 63 2HB LEU 63 3.095 -7.345 1.168 443 HB3 LEU 63 1HB LEU 63 4.591 -6.599 1.685 444 HG LEU 63 HG LEU 63 2.434 -5.330 0.002 445 HD11 LEU 63 1HD1 LEU 63 1.870 -5.533 2.356 446 HD12 LEU 63 2HD1 LEU 63 2.152 -3.853 1.905 447 HD13 LEU 63 3HD1 LEU 63 3.385 -4.744 2.793 448 HD21 LEU 63 3HD2 LEU 63 4.606 -4.535 -0.724 449 HD22 LEU 63 1HD2 LEU 63 5.060 -4.209 0.949 450 HD23 LEU 63 2HD2 LEU 63 3.768 -3.279 0.188 451 H ASP 64 H ASP 64 6.839 -8.150 -0.942 452 HA ASP 64 HA ASP 64 6.390 -10.625 0.579 453 HB2 ASP 64 2HB ASP 64 7.512 -11.965 -1.110 454 HB3 ASP 64 1HB ASP 64 6.194 -11.100 -1.878 455 H GLN 65 H GLN 65 7.917 -7.927 0.612 456 HA GLN 65 HA GLN 65 10.538 -9.011 1.265 457 HB2 GLN 65 2HB GLN 65 11.394 -6.660 1.034 458 HB3 GLN 65 1HB GLN 65 10.877 -7.390 -0.458 459 HG2 GLN 65 2HG GLN 65 9.233 -5.433 1.156 460 HG3 GLN 65 1HG GLN 65 10.282 -4.973 -0.171 461 HE21 GLN 65 1HE2 GLN 65 7.410 -4.678 0.196 462 HE22 GLN 65 2HE2 GLN 65 6.691 -5.388 -1.217 463 HA PRO 66 HA PRO 66 9.902 -8.312 5.562 464 HB2 PRO 66 2HB PRO 66 12.729 -7.404 5.601 465 HB3 PRO 66 1HB PRO 66 11.939 -8.658 6.567 466 HG2 PRO 66 2HG PRO 66 13.549 -9.349 4.585 467 HG3 PRO 66 1HG PRO 66 12.025 -10.215 4.845 468 HD2 PRO 66 2HD PRO 66 12.686 -8.133 2.802 469 HD3 PRO 66 1HD PRO 66 11.754 -9.643 2.641 470 H THR 67 H THR 67 11.351 -5.758 3.649 471 HA THR 67 HA THR 67 10.068 -3.850 5.430 472 HB THR 67 HB THR 67 12.925 -3.569 4.428 473 HG1 THR 67 1HG THR 67 13.242 -4.671 6.205 474 HG21 THR 67 3HG2 THR 67 11.746 -1.412 4.471 475 HG22 THR 67 1HG2 THR 67 12.975 -1.481 5.735 476 HG23 THR 67 2HG2 THR 67 11.274 -1.698 6.145 477 H THR 68 H THR 68 8.799 -2.583 4.275 478 HA THR 68 HA THR 68 9.440 -2.064 1.464 479 HB THR 68 HB THR 68 6.716 -2.314 2.751 480 HG1 THR 68 1HG THR 68 7.995 -4.253 2.596 481 HG21 THR 68 3HG2 THR 68 6.834 -0.859 0.754 482 HG22 THR 68 1HG2 THR 68 5.884 -2.318 0.457 483 HG23 THR 68 2HG2 THR 68 7.535 -2.206 -0.147 484 H THR 69 H THR 69 9.794 0.036 1.167 485 HA THR 69 HA THR 69 9.119 1.907 3.291 486 HB THR 69 HB THR 69 10.963 2.049 0.936 487 HG1 THR 69 1HG THR 69 11.136 1.494 3.658 488 HG21 THR 69 3HG2 THR 69 10.458 4.104 3.099 489 HG22 THR 69 1HG2 THR 69 10.168 4.312 1.378 490 HG23 THR 69 2HG2 THR 69 11.822 4.173 1.978 491 H ALA 70 H ALA 70 7.615 3.445 3.112 492 HA ALA 70 HA ALA 70 6.513 4.025 0.457 493 HB1 ALA 70 1HB ALA 70 4.344 4.380 1.508 494 HB2 ALA 70 2HB ALA 70 5.032 3.987 3.082 495 HB3 ALA 70 3HB ALA 70 4.925 2.747 1.834 496 H GLY 71 H GLY 71 6.382 6.076 -0.103 497 HA2 GLY 71 2HA GLY 71 5.832 8.369 0.942 498 HA3 GLY 71 1HA GLY 71 7.360 8.085 1.783 499 H ARG 72 H ARG 72 8.125 10.030 0.650 500 HA ARG 72 HA ARG 72 8.634 9.540 -2.195 501 HB2 ARG 72 2HB ARG 72 7.627 11.692 -1.380 502 HB3 ARG 72 1HB ARG 72 9.123 11.994 -0.512 503 HG2 ARG 72 2HG ARG 72 10.313 11.892 -2.687 504 HG3 ARG 72 1HG ARG 72 8.739 11.797 -3.482 505 HD2 ARG 72 2HD ARG 72 9.819 14.030 -1.784 506 HD3 ARG 72 1HD ARG 72 9.421 14.087 -3.497 507 HE ARG 72 HE ARG 72 7.470 13.915 -1.290 508 HH11 ARG 72 1HH1 ARG 72 8.098 14.561 -4.686 509 HH12 ARG 72 2HH1 ARG 72 6.675 15.482 -4.898 510 HH21 ARG 72 1HH2 ARG 72 5.625 15.190 -1.551 511 HH22 ARG 72 2HH2 ARG 72 5.226 15.873 -3.063 512 H HIS 73 H HIS 73 10.565 8.628 -2.605 513 HA HIS 73 HA HIS 73 13.020 9.404 -1.514 514 HB2 HIS 73 2HB HIS 73 11.670 7.909 0.291 515 HB3 HIS 73 1HB HIS 73 12.266 6.611 -0.733 516 HD1 HIS 73 1HD HIS 73 14.464 5.685 0.130 517 HD2 HIS 73 2HD HIS 73 13.834 9.677 0.949 518 HE1 HIS 73 1HE HIS 73 16.424 6.380 1.527 519 HA PRO 74 HA PRO 74 13.840 7.333 -5.429 520 HB2 PRO 74 2HB PRO 74 16.397 6.421 -4.242 521 HB3 PRO 74 1HB PRO 74 16.118 7.362 -5.712 522 HG2 PRO 74 2HG PRO 74 17.098 8.499 -3.506 523 HG3 PRO 74 1HG PRO 74 15.963 9.351 -4.571 524 HD2 PRO 74 2HD PRO 74 15.481 8.074 -1.916 525 HD3 PRO 74 1HD PRO 74 14.793 9.557 -2.605 526 H GLU 75 H GLU 75 14.768 5.621 -2.509 527 HA GLU 75 HA GLU 75 14.247 3.102 -3.831 528 HB2 GLU 75 2HB GLU 75 15.500 3.730 -1.180 529 HB3 GLU 75 1HB GLU 75 15.154 2.089 -1.716 530 HG2 GLU 75 2HG GLU 75 16.594 2.334 -3.611 531 HG3 GLU 75 1HG GLU 75 16.857 4.035 -3.257 532 H SER 76 H SER 76 12.038 5.026 -2.868 533 HA SER 76 HA SER 76 10.586 3.548 -0.932 534 HB2 SER 76 2HB SER 76 9.624 5.425 -3.094 535 HB3 SER 76 1HB SER 76 8.588 4.741 -1.845 536 HG SER 76 HG SER 76 9.244 6.743 -1.251 537 H ASP 77 H ASP 77 9.717 1.637 -1.160 538 HA ASP 77 HA ASP 77 9.473 0.297 -3.670 539 HB2 ASP 77 2HB ASP 77 8.237 -0.376 -0.994 540 HB3 ASP 77 1HB ASP 77 8.393 -1.477 -2.355 541 H ILE 78 H ILE 78 7.398 1.927 -1.391 542 HA ILE 78 HA ILE 78 5.242 1.964 -3.384 543 HB ILE 78 HB ILE 78 5.068 2.745 -0.450 544 HG12 ILE 78 2HG1 ILE 78 5.576 0.355 -0.545 545 HG13 ILE 78 1HG1 ILE 78 3.918 0.605 -0.021 546 HG21 ILE 78 1HG2 ILE 78 2.904 2.186 -2.472 547 HG22 ILE 78 2HG2 ILE 78 3.369 3.766 -1.844 548 HG23 ILE 78 3HG2 ILE 78 2.640 2.569 -0.772 549 HD11 ILE 78 3HD1 ILE 78 4.790 -0.192 -2.789 550 HD12 ILE 78 1HD1 ILE 78 3.126 0.013 -2.246 551 HD13 ILE 78 2HD1 ILE 78 4.134 -1.269 -1.563 552 H PHE 79 H PHE 79 5.841 3.658 -4.607 553 HA PHE 79 HA PHE 79 6.948 6.021 -3.358 554 HB2 PHE 79 2HB PHE 79 7.995 5.047 -5.396 555 HB3 PHE 79 1HB PHE 79 6.526 5.403 -6.292 556 HD1 PHE 79 2HD PHE 79 9.286 6.960 -4.381 557 HD2 PHE 79 1HD PHE 79 6.211 7.519 -7.268 558 HE1 PHE 79 2HE PHE 79 10.178 9.185 -4.888 559 HE2 PHE 79 1HE PHE 79 7.101 9.751 -7.782 560 HZ PHE 79 HZ PHE 79 9.094 10.582 -6.586 561 H LEU 80 H LEU 80 5.734 7.649 -2.811 562 HA LEU 80 HA LEU 80 3.163 8.119 -4.191 563 HB2 LEU 80 2HB LEU 80 3.738 8.454 -1.235 564 HB3 LEU 80 1HB LEU 80 2.217 8.772 -2.041 565 HG LEU 80 HG LEU 80 3.485 6.052 -1.670 566 HD11 LEU 80 1HD1 LEU 80 2.664 6.984 0.409 567 HD12 LEU 80 2HD1 LEU 80 1.644 5.649 -0.123 568 HD13 LEU 80 3HD1 LEU 80 1.102 7.315 -0.336 569 HD21 LEU 80 3HD2 LEU 80 0.799 6.816 -2.833 570 HD22 LEU 80 1HD2 LEU 80 1.346 5.170 -2.505 571 HD23 LEU 80 2HD2 LEU 80 2.164 6.143 -3.725 572 H ASP 81 H ASP 81 2.850 10.266 -4.711 573 HA ASP 81 HA ASP 81 4.985 12.151 -3.961 574 HB2 ASP 81 2HB ASP 81 4.402 11.806 -6.408 575 HB3 ASP 81 1HB ASP 81 2.797 12.423 -6.056 576 H ASP 82 H ASP 82 4.465 13.489 -2.301 577 HA ASP 82 HA ASP 82 1.631 13.582 -1.572 578 HB2 ASP 82 2HB ASP 82 2.258 13.751 0.708 579 HB3 ASP 82 1HB ASP 82 3.260 12.487 0.004 580 H VAL 83 H VAL 83 1.596 15.602 0.232 581 HA VAL 83 HA VAL 83 1.313 17.843 -1.550 582 HB VAL 83 HB VAL 83 0.811 17.702 1.438 583 HG11 VAL 83 1HG1 VAL 83 1.001 20.001 0.657 584 HG12 VAL 83 2HG1 VAL 83 -0.668 19.629 1.090 585 HG13 VAL 83 3HG1 VAL 83 -0.187 19.684 -0.607 586 HG21 VAL 83 3HG2 VAL 83 -1.100 17.276 -0.860 587 HG22 VAL 83 1HG2 VAL 83 -1.552 17.365 0.844 588 HG23 VAL 83 2HG2 VAL 83 -0.531 16.046 0.270 589 H THR 84 H THR 84 3.557 16.888 0.948 590 HA THR 84 HA THR 84 5.022 19.368 0.559 591 HB THR 84 HB THR 84 3.956 19.486 2.750 592 HG1 THR 84 1HG THR 84 6.036 20.196 2.774 593 HG21 THR 84 3HG2 THR 84 4.239 17.777 4.482 594 HG22 THR 84 1HG2 THR 84 5.112 16.763 3.329 595 HG23 THR 84 2HG2 THR 84 3.408 17.138 3.063 596 H VAL 85 H VAL 85 7.213 18.135 2.215 597 HA VAL 85 HA VAL 85 7.806 16.000 0.280 598 HB VAL 85 HB VAL 85 9.810 17.420 2.062 599 HG11 VAL 85 1HG1 VAL 85 10.527 15.180 1.468 600 HG12 VAL 85 2HG1 VAL 85 11.498 16.372 0.596 601 HG13 VAL 85 3HG1 VAL 85 10.209 15.507 -0.236 602 HG21 VAL 85 3HG2 VAL 85 9.257 17.812 -0.879 603 HG22 VAL 85 1HG2 VAL 85 10.572 18.555 0.027 604 HG23 VAL 85 2HG2 VAL 85 8.897 18.963 0.405 605 H SER 86 H SER 86 6.727 14.282 1.274 606 HA SER 86 HA SER 86 7.542 13.704 3.983 607 HB2 SER 86 2HB SER 86 5.125 13.405 3.287 608 HB3 SER 86 1HB SER 86 5.649 12.092 2.233 609 HG SER 86 HG SER 86 4.928 11.327 4.272 610 H ARG 87 H ARG 87 9.576 13.391 3.662 611 HA ARG 87 HA ARG 87 10.926 11.801 1.820 612 HB2 ARG 87 2HB ARG 87 12.852 11.955 3.215 613 HB3 ARG 87 1HB ARG 87 11.977 13.463 3.352 614 HG2 ARG 87 2HG ARG 87 11.961 11.241 5.419 615 HG3 ARG 87 1HG ARG 87 12.968 12.666 5.490 616 HD2 ARG 87 2HD ARG 87 10.867 14.043 5.643 617 HD3 ARG 87 1HD ARG 87 9.949 12.539 5.705 618 HE ARG 87 HE ARG 87 11.779 13.564 7.772 619 HH11 ARG 87 1HH1 ARG 87 9.131 11.267 6.940 620 HH12 ARG 87 2HH1 ARG 87 9.202 10.534 8.451 621 HH21 ARG 87 1HH2 ARG 87 11.739 12.414 9.879 622 HH22 ARG 87 2HH2 ARG 87 10.609 11.187 10.133 623 H ARG 88 H ARG 88 9.219 10.862 4.584 624 HA ARG 88 HA ARG 88 9.555 8.030 4.165 625 HB2 ARG 88 2HB ARG 88 10.418 9.449 6.723 626 HB3 ARG 88 1HB ARG 88 10.137 7.723 6.610 627 HG2 ARG 88 2HG ARG 88 12.157 9.051 4.855 628 HG3 ARG 88 1HG ARG 88 12.550 8.611 6.518 629 HD2 ARG 88 2HD ARG 88 11.354 6.666 4.576 630 HD3 ARG 88 1HD ARG 88 13.097 6.913 4.707 631 HE ARG 88 HE ARG 88 12.564 6.447 7.217 632 HH11 ARG 88 1HH1 ARG 88 11.023 4.800 4.533 633 HH12 ARG 88 2HH1 ARG 88 11.024 3.260 5.284 634 HH21 ARG 88 1HH2 ARG 88 12.590 4.386 8.227 635 HH22 ARG 88 2HH2 ARG 88 11.992 3.009 7.373 636 H HIS 89 H HIS 89 7.308 7.681 4.131 637 HA HIS 89 HA HIS 89 5.838 9.306 6.067 638 HB2 HIS 89 2HB HIS 89 5.060 9.322 3.673 639 HB3 HIS 89 1HB HIS 89 4.664 7.613 3.845 640 HD2 HIS 89 2HD HIS 89 2.645 7.155 5.970 641 HE1 HIS 89 1HE HIS 89 1.081 10.975 5.545 642 HE2 HIS 89 2HE HIS 89 1.061 8.792 6.819 643 H ALA 90 H ALA 90 6.073 5.967 4.924 644 HA ALA 90 HA ALA 90 5.527 5.084 7.610 645 HB1 ALA 90 1HB ALA 90 3.766 3.545 6.854 646 HB2 ALA 90 2HB ALA 90 3.827 4.271 5.249 647 HB3 ALA 90 3HB ALA 90 3.300 5.230 6.632 648 H GLU 91 H GLU 91 6.189 3.027 7.912 649 HA GLU 91 HA GLU 91 7.769 1.840 5.718 650 HB2 GLU 91 2HB GLU 91 9.043 2.693 7.786 651 HB3 GLU 91 1HB GLU 91 8.213 1.435 8.686 652 HG2 GLU 91 2HG GLU 91 10.216 0.417 8.212 653 HG3 GLU 91 1HG GLU 91 9.217 -0.150 6.878 654 H PHE 92 H PHE 92 7.043 -0.126 5.178 655 HA PHE 92 HA PHE 92 5.018 -1.376 6.896 656 HB2 PHE 92 2HB PHE 92 5.610 -1.598 3.948 657 HB3 PHE 92 1HB PHE 92 4.482 -2.686 4.761 658 HD1 PHE 92 1HD PHE 92 5.138 0.957 4.162 659 HD2 PHE 92 2HD PHE 92 2.257 -2.123 4.647 660 HE1 PHE 92 1HE PHE 92 3.347 2.545 3.595 661 HE2 PHE 92 2HE PHE 92 0.462 -0.542 4.091 662 HZ PHE 92 HZ PHE 92 1.005 1.799 3.562 663 H ARG 93 H ARG 93 5.857 -2.972 8.068 664 HA ARG 93 HA ARG 93 8.236 -4.296 6.983 665 HB2 ARG 93 2HB ARG 93 7.417 -4.082 9.893 666 HB3 ARG 93 1HB ARG 93 8.858 -4.884 9.297 667 HG2 ARG 93 2HG ARG 93 9.536 -2.626 8.340 668 HG3 ARG 93 1HG ARG 93 8.233 -1.940 9.307 669 HD2 ARG 93 2HD ARG 93 10.634 -3.470 10.325 670 HD3 ARG 93 1HD ARG 93 10.345 -1.745 10.482 671 HE ARG 93 HE ARG 93 8.206 -3.045 11.724 672 HH11 ARG 93 1HH1 ARG 93 11.701 -2.630 12.233 673 HH12 ARG 93 2HH1 ARG 93 11.620 -2.972 13.892 674 HH21 ARG 93 1HH2 ARG 93 8.130 -3.544 13.927 675 HH22 ARG 93 2HH2 ARG 93 9.550 -3.547 14.898 676 H ILE 94 H ILE 94 8.195 -6.386 6.660 677 HA ILE 94 HA ILE 94 5.806 -7.872 7.479 678 HB ILE 94 HB ILE 94 7.454 -8.236 4.934 679 HG12 ILE 94 2HG1 ILE 94 5.187 -7.847 3.778 680 HG13 ILE 94 1HG1 ILE 94 4.619 -7.259 5.328 681 HG21 ILE 94 1HG2 ILE 94 6.769 -10.390 5.786 682 HG22 ILE 94 2HG2 ILE 94 5.875 -10.009 4.314 683 HG23 ILE 94 3HG2 ILE 94 5.093 -9.845 5.889 684 HD11 ILE 94 3HD1 ILE 94 6.248 -5.445 5.239 685 HD12 ILE 94 1HD1 ILE 94 5.203 -5.439 3.819 686 HD13 ILE 94 2HD1 ILE 94 6.851 -6.056 3.699 687 H ASN 95 H ASN 95 6.457 -9.272 8.991 688 HA ASN 95 HA ASN 95 9.073 -10.571 8.646 689 HB2 ASN 95 2HB ASN 95 9.271 -8.666 10.256 690 HB3 ASN 95 1HB ASN 95 8.087 -9.458 11.284 691 HD21 ASN 95 1HD2 ASN 95 10.823 -8.661 11.812 692 HD22 ASN 95 2HD2 ASN 95 11.683 -10.061 12.322 693 H GLU 96 H GLU 96 8.837 -12.620 8.647 694 HA GLU 96 HA GLU 96 8.067 -14.734 8.841 695 HB2 GLU 96 2HB GLU 96 8.637 -14.134 11.267 696 HB3 GLU 96 1HB GLU 96 6.920 -13.861 11.506 697 HG2 GLU 96 2HG GLU 96 6.516 -16.221 10.825 698 HG3 GLU 96 1HG GLU 96 8.258 -16.453 10.770 699 H GLY 97 H GLY 97 6.451 -12.928 7.451 700 HA2 GLY 97 2HA GLY 97 4.474 -13.186 6.279 701 HA3 GLY 97 1HA GLY 97 3.964 -14.386 7.453 702 H GLU 98 H GLU 98 4.879 -11.743 9.238 703 HA GLU 98 HA GLU 98 2.087 -10.913 9.423 704 HB2 GLU 98 2HB GLU 98 4.399 -10.398 11.303 705 HB3 GLU 98 1HB GLU 98 2.709 -10.025 11.611 706 HG2 GLU 98 2HG GLU 98 2.192 -12.434 11.493 707 HG3 GLU 98 1HG GLU 98 3.900 -12.760 11.267 708 H PHE 99 H PHE 99 1.476 -8.902 8.940 709 HA PHE 99 HA PHE 99 3.468 -7.146 7.696 710 HB2 PHE 99 2HB PHE 99 0.453 -7.193 7.352 711 HB3 PHE 99 1HB PHE 99 1.588 -6.224 6.436 712 HD1 PHE 99 1HD PHE 99 0.339 -9.656 7.011 713 HD2 PHE 99 2HD PHE 99 2.694 -7.126 4.529 714 HE1 PHE 99 1HE PHE 99 0.412 -11.417 5.293 715 HE2 PHE 99 2HE PHE 99 2.782 -8.892 2.813 716 HZ PHE 99 HZ PHE 99 1.637 -11.036 3.193 717 H GLU 100 H GLU 100 3.970 -5.381 8.957 718 HA GLU 100 HA GLU 100 1.808 -4.125 10.532 719 HB2 GLU 100 2HB GLU 100 3.524 -3.405 12.157 720 HB3 GLU 100 1HB GLU 100 3.412 -5.159 12.066 721 HG2 GLU 100 2HG GLU 100 5.411 -5.258 10.725 722 HG3 GLU 100 1HG GLU 100 5.481 -3.499 10.657 723 H VAL 101 H VAL 101 1.669 -1.917 10.398 724 HA VAL 101 HA VAL 101 3.471 -0.613 8.463 725 HB VAL 101 HB VAL 101 0.663 0.214 9.247 726 HG11 VAL 101 1HG1 VAL 101 0.778 1.688 7.290 727 HG12 VAL 101 2HG1 VAL 101 2.439 1.168 7.003 728 HG13 VAL 101 3HG1 VAL 101 2.038 2.059 8.470 729 HG21 VAL 101 3HG2 VAL 101 1.532 -1.191 6.731 730 HG22 VAL 101 1HG2 VAL 101 -0.101 -0.641 7.106 731 HG23 VAL 101 2HG2 VAL 101 0.653 -1.927 8.065 732 H VAL 102 H VAL 102 4.766 0.847 9.413 733 HA VAL 102 HA VAL 102 3.761 2.085 11.840 734 HB VAL 102 HB VAL 102 6.084 2.352 12.632 735 HG11 VAL 102 1HG1 VAL 102 4.777 0.492 13.446 736 HG12 VAL 102 2HG1 VAL 102 6.465 0.005 13.263 737 HG13 VAL 102 3HG1 VAL 102 5.270 -0.488 12.065 738 HG21 VAL 102 3HG2 VAL 102 6.819 0.563 10.311 739 HG22 VAL 102 1HG2 VAL 102 7.906 1.037 11.617 740 HG23 VAL 102 2HG2 VAL 102 7.281 2.255 10.510 741 H ASP 103 H ASP 103 3.715 4.168 11.930 742 HA ASP 103 HA ASP 103 4.256 5.691 9.565 743 HB2 ASP 103 2HB ASP 103 2.317 6.319 10.891 744 HB3 ASP 103 1HB ASP 103 3.303 6.446 12.340 745 H VAL 104 H VAL 104 6.022 6.719 9.147 746 HA VAL 104 HA VAL 104 7.889 7.301 11.316 747 HB VAL 104 HB VAL 104 9.790 6.862 9.730 748 HG11 VAL 104 1HG1 VAL 104 9.207 5.179 11.377 749 HG12 VAL 104 2HG1 VAL 104 9.738 4.414 9.881 750 HG13 VAL 104 3HG1 VAL 104 8.021 4.485 10.272 751 HG21 VAL 104 3HG2 VAL 104 7.685 5.551 8.012 752 HG22 VAL 104 1HG2 VAL 104 9.421 5.551 7.712 753 HG23 VAL 104 2HG2 VAL 104 8.500 7.062 7.629 754 H GLY 105 H GLY 105 5.766 8.683 9.642 755 HA2 GLY 105 2HA GLY 105 7.035 11.162 9.472 756 HA3 GLY 105 1HA GLY 105 6.877 10.460 7.867 757 H SER 106 H SER 106 5.126 11.397 10.717 758 HA SER 106 HA SER 106 2.515 11.261 9.550 759 HB2 SER 106 2HB SER 106 3.078 10.958 11.981 760 HB3 SER 106 1HB SER 106 3.514 12.661 12.062 761 HG SER 106 HG SER 106 0.999 11.472 11.629 762 H LEU 107 H LEU 107 4.146 12.668 7.903 763 HA LEU 107 HA LEU 107 3.758 15.513 8.329 764 HB2 LEU 107 2HB LEU 107 5.991 14.695 7.817 765 HB3 LEU 107 1HB LEU 107 5.416 13.987 6.332 766 HG LEU 107 HG LEU 107 5.120 16.136 5.330 767 HD11 LEU 107 1HD1 LEU 107 4.262 17.384 7.230 768 HD12 LEU 107 2HD1 LEU 107 5.678 18.213 6.572 769 HD13 LEU 107 3HD1 LEU 107 5.815 17.241 8.043 770 HD21 LEU 107 3HD2 LEU 107 7.362 15.244 5.318 771 HD22 LEU 107 1HD2 LEU 107 7.700 16.021 6.862 772 HD23 LEU 107 2HD2 LEU 107 7.393 17.001 5.430 773 H ASN 108 H ASN 108 2.762 12.908 6.221 774 HA ASN 108 HA ASN 108 0.946 14.840 4.927 775 HB2 ASN 108 2HB ASN 108 2.355 13.532 3.354 776 HB3 ASN 108 1HB ASN 108 1.737 12.033 4.002 777 HD21 ASN 108 1HD2 ASN 108 0.917 11.296 2.120 778 HD22 ASN 108 2HD2 ASN 108 -0.428 11.999 1.295 779 H GLY 109 H GLY 109 1.159 12.124 7.079 780 HA2 GLY 109 2HA GLY 109 -0.501 11.889 8.772 781 HA3 GLY 109 1HA GLY 109 -1.703 12.441 7.622 782 H THR 110 H THR 110 -0.271 9.727 9.081 783 HA THR 110 HA THR 110 -1.164 7.846 7.086 784 HB THR 110 HB THR 110 -0.158 7.405 9.912 785 HG1 THR 110 1HG THR 110 1.751 7.964 9.100 786 HG21 THR 110 3HG2 THR 110 -0.219 5.590 7.483 787 HG22 THR 110 1HG2 THR 110 -1.276 5.446 8.887 788 HG23 THR 110 2HG2 THR 110 0.460 5.172 9.053 789 H TYR 111 H TYR 111 -3.213 6.956 7.084 790 HA TYR 111 HA TYR 111 -4.757 7.035 9.553 791 HB2 TYR 111 2HB TYR 111 -5.771 7.770 6.791 792 HB3 TYR 111 1HB TYR 111 -6.754 7.683 8.248 793 HD1 TYR 111 2HD TYR 111 -6.347 9.379 10.059 794 HD2 TYR 111 1HD TYR 111 -4.558 9.714 6.224 795 HE1 TYR 111 2HE TYR 111 -5.846 11.749 10.496 796 HE2 TYR 111 1HE TYR 111 -4.062 12.080 6.657 797 HH TYR 111 HH TYR 111 -4.297 13.420 9.766 798 H VAL 112 H VAL 112 -5.839 5.190 9.881 799 HA VAL 112 HA VAL 112 -6.104 3.308 7.654 800 HB VAL 112 HB VAL 112 -5.421 2.533 10.528 801 HG11 VAL 112 1HG1 VAL 112 -6.902 0.912 9.466 802 HG12 VAL 112 2HG1 VAL 112 -5.286 0.233 9.660 803 HG13 VAL 112 3HG1 VAL 112 -5.817 0.806 8.079 804 HG21 VAL 112 3HG2 VAL 112 -3.456 3.410 9.358 805 HG22 VAL 112 1HG2 VAL 112 -3.733 2.288 8.027 806 HG23 VAL 112 2HG2 VAL 112 -3.296 1.674 9.620 807 H ASN 113 H ASN 113 -8.116 2.547 7.463 808 HA ASN 113 HA ASN 113 -10.430 2.514 7.677 809 HB2 ASN 113 2HB ASN 113 -9.797 2.556 10.655 810 HB3 ASN 113 1HB ASN 113 -11.341 2.130 9.957 811 HD21 ASN 113 1HD2 ASN 113 -10.353 0.386 7.893 812 HD22 ASN 113 2HD2 ASN 113 -9.689 -1.015 8.661 813 H ARG 114 H ARG 114 -9.102 5.030 7.399 814 HA ARG 114 HA ARG 114 -9.457 7.276 7.433 815 HB2 ARG 114 2HB ARG 114 -12.155 6.317 8.315 816 HB3 ARG 114 1HB ARG 114 -11.800 8.028 8.147 817 HG2 ARG 114 2HG ARG 114 -11.718 7.924 5.866 818 HG3 ARG 114 1HG ARG 114 -11.168 6.246 5.867 819 HD2 ARG 114 2HD ARG 114 -13.915 6.987 6.804 820 HD3 ARG 114 1HD ARG 114 -13.559 6.721 5.096 821 HE ARG 114 HE ARG 114 -12.761 4.521 5.699 822 HH11 ARG 114 1HH1 ARG 114 -14.987 6.045 8.012 823 HH12 ARG 114 2HH1 ARG 114 -15.538 4.562 8.654 824 HH21 ARG 114 1HH2 ARG 114 -13.554 2.570 6.488 825 HH22 ARG 114 2HH2 ARG 114 -14.685 2.489 7.770 826 H GLU 115 H GLU 115 -8.612 5.761 10.008 827 HA GLU 115 HA GLU 115 -9.028 8.009 11.813 828 HB2 GLU 115 2HB GLU 115 -8.577 5.087 12.402 829 HB3 GLU 115 1HB GLU 115 -8.568 6.350 13.624 830 HG2 GLU 115 2HG GLU 115 -10.871 6.872 13.159 831 HG3 GLU 115 1HG GLU 115 -10.888 5.719 11.825 832 HA PRO 116 HA PRO 116 -4.660 8.803 11.412 833 HB2 PRO 116 2HB PRO 116 -4.781 9.695 14.223 834 HB3 PRO 116 1HB PRO 116 -4.318 10.597 12.779 835 HG2 PRO 116 2HG PRO 116 -6.656 11.025 14.056 836 HG3 PRO 116 1HG PRO 116 -6.483 11.217 12.312 837 HD2 PRO 116 2HD PRO 116 -7.792 9.023 13.839 838 HD3 PRO 116 1HD PRO 116 -8.150 9.704 12.239 839 H ARG 117 H ARG 117 -3.097 7.365 11.587 840 HA ARG 117 HA ARG 117 -2.830 5.856 14.085 841 HB2 ARG 117 2HB ARG 117 -2.741 4.798 11.290 842 HB3 ARG 117 1HB ARG 117 -1.895 3.988 12.594 843 HG2 ARG 117 2HG ARG 117 -4.840 4.551 12.504 844 HG3 ARG 117 1HG ARG 117 -4.058 3.006 12.112 845 HD2 ARG 117 2HD ARG 117 -3.120 3.021 14.444 846 HD3 ARG 117 1HD ARG 117 -4.163 4.399 14.789 847 HE ARG 117 HE ARG 117 -5.641 2.270 13.676 848 HH11 ARG 117 1HH1 ARG 117 -4.236 3.337 16.775 849 HH12 ARG 117 2HH1 ARG 117 -5.207 2.282 17.688 850 HH21 ARG 117 1HH2 ARG 117 -6.916 0.845 14.976 851 HH22 ARG 117 2HH2 ARG 117 -6.704 0.825 16.675 852 H ASN 118 H ASN 118 -0.841 5.051 14.488 853 HA ASN 118 HA ASN 118 1.419 6.426 13.172 854 HB2 ASN 118 2HB ASN 118 0.740 7.178 15.556 855 HB3 ASN 118 1HB ASN 118 1.382 5.646 16.079 856 HD21 ASN 118 1HD2 ASN 118 3.661 5.585 14.250 857 HD22 ASN 118 2HD2 ASN 118 4.763 6.784 14.804 858 H ALA 119 H ALA 119 0.138 3.584 14.701 859 HA ALA 119 HA ALA 119 1.925 1.942 13.136 860 HB1 ALA 119 1HB ALA 119 1.660 1.638 16.138 861 HB2 ALA 119 2HB ALA 119 3.123 2.121 15.281 862 HB3 ALA 119 3HB ALA 119 2.473 0.494 15.072 863 H GLN 120 H GLN 120 0.850 0.142 12.437 864 HA GLN 120 HA GLN 120 -1.594 -0.676 13.781 865 HB2 GLN 120 2HB GLN 120 -1.817 1.262 11.871 866 HB3 GLN 120 1HB GLN 120 -1.939 -0.180 10.881 867 HG2 GLN 120 2HG GLN 120 -3.714 0.562 13.204 868 HG3 GLN 120 1HG GLN 120 -4.133 0.646 11.498 869 HE21 GLN 120 1HE2 GLN 120 -4.544 -1.264 10.394 870 HE22 GLN 120 2HE2 GLN 120 -4.798 -2.757 11.217 871 H VAL 121 H VAL 121 -2.008 -2.857 13.354 872 HA VAL 121 HA VAL 121 -0.089 -4.324 11.747 873 HB VAL 121 HB VAL 121 -2.489 -5.346 13.329 874 HG11 VAL 121 1HG1 VAL 121 -0.115 -6.837 12.207 875 HG12 VAL 121 2HG1 VAL 121 -1.770 -6.911 11.603 876 HG13 VAL 121 3HG1 VAL 121 -1.388 -7.540 13.207 877 HG21 VAL 121 3HG2 VAL 121 -0.886 -4.253 14.809 878 HG22 VAL 121 1HG2 VAL 121 0.419 -5.233 14.144 879 HG23 VAL 121 2HG2 VAL 121 -0.877 -5.997 15.067 880 H MET 122 H MET 122 -0.547 -4.939 9.690 881 HA MET 122 HA MET 122 -2.986 -3.747 8.649 882 HB2 MET 122 2HB MET 122 -0.908 -3.043 7.687 883 HB3 MET 122 1HB MET 122 -0.493 -4.702 7.275 884 HG2 MET 122 2HG MET 122 -2.289 -4.764 5.664 885 HG3 MET 122 1HG MET 122 -2.806 -3.149 6.145 886 HE1 MET 122 3HE MET 122 1.276 -3.958 4.148 887 HE2 MET 122 1HE MET 122 0.186 -5.229 4.689 888 HE3 MET 122 2HE MET 122 1.004 -4.195 5.871 889 H GLN 123 H GLN 123 -4.615 -4.795 7.776 890 HA GLN 123 HA GLN 123 -4.463 -7.720 7.548 891 HB2 GLN 123 2HB GLN 123 -6.812 -5.988 8.287 892 HB3 GLN 123 1HB GLN 123 -6.795 -7.741 8.218 893 HG2 GLN 123 2HG GLN 123 -5.330 -7.855 10.117 894 HG3 GLN 123 1HG GLN 123 -5.136 -6.104 10.117 895 HE21 GLN 123 1HE2 GLN 123 -7.994 -5.602 9.546 896 HE22 GLN 123 2HE2 GLN 123 -8.802 -5.959 11.020 897 H THR 124 H THR 124 -5.749 -8.619 5.740 898 HA THR 124 HA THR 124 -5.866 -7.029 3.478 899 HB THR 124 HB THR 124 -6.955 -9.271 2.804 900 HG1 THR 124 1HG THR 124 -7.414 -10.035 4.880 901 HG21 THR 124 3HG2 THR 124 -4.653 -8.602 2.250 902 HG22 THR 124 1HG2 THR 124 -4.734 -10.310 2.683 903 HG23 THR 124 2HG2 THR 124 -4.126 -9.132 3.848 904 H GLY 125 H GLY 125 -7.600 -6.042 2.635 905 HA2 GLY 125 2HA GLY 125 -9.924 -5.800 2.198 906 HA3 GLY 125 1HA GLY 125 -10.268 -6.613 3.722 907 H ASP 126 H ASP 126 -7.917 -4.760 4.642 908 HA ASP 126 HA ASP 126 -9.647 -2.672 5.610 909 HB2 ASP 126 2HB ASP 126 -6.878 -3.541 6.369 910 HB3 ASP 126 1HB ASP 126 -7.434 -1.932 6.810 911 H GLU 127 H GLU 127 -9.087 -0.475 5.579 912 HA GLU 127 HA GLU 127 -7.957 0.290 2.966 913 HB2 GLU 127 2HB GLU 127 -9.451 2.290 3.158 914 HB3 GLU 127 1HB GLU 127 -10.359 0.785 3.155 915 HG2 GLU 127 2HG GLU 127 -10.722 0.921 5.534 916 HG3 GLU 127 1HG GLU 127 -9.614 2.274 5.669 917 H ILE 128 H ILE 128 -6.246 1.593 2.984 918 HA ILE 128 HA ILE 128 -5.448 2.990 5.442 919 HB ILE 128 HB ILE 128 -3.730 1.997 3.136 920 HG12 ILE 128 2HG1 ILE 128 -3.939 0.936 5.968 921 HG13 ILE 128 1HG1 ILE 128 -4.568 0.141 4.532 922 HG21 ILE 128 1HG2 ILE 128 -2.840 4.030 4.161 923 HG22 ILE 128 2HG2 ILE 128 -1.817 2.644 4.542 924 HG23 ILE 128 3HG2 ILE 128 -2.928 3.281 5.755 925 HD11 ILE 128 3HD1 ILE 128 -2.478 -0.861 5.254 926 HD12 ILE 128 1HD1 ILE 128 -1.673 0.701 5.117 927 HD13 ILE 128 2HD1 ILE 128 -2.292 -0.099 3.674 928 H GLN 129 H GLN 129 -5.250 5.091 5.291 929 HA GLN 129 HA GLN 129 -5.438 6.337 2.667 930 HB2 GLN 129 2HB GLN 129 -7.522 6.759 3.694 931 HB3 GLN 129 1HB GLN 129 -6.805 7.038 5.265 932 HG2 GLN 129 2HG GLN 129 -5.869 9.143 4.472 933 HG3 GLN 129 1HG GLN 129 -6.522 8.838 2.864 934 HE21 GLN 129 1HE2 GLN 129 -7.644 10.792 3.026 935 HE22 GLN 129 2HE2 GLN 129 -9.107 10.911 3.952 936 H ILE 130 H ILE 130 -3.735 7.498 2.226 937 HA ILE 130 HA ILE 130 -2.102 8.466 4.460 938 HB ILE 130 HB ILE 130 -1.232 7.445 1.730 939 HG12 ILE 130 2HG1 ILE 130 -0.504 6.553 4.531 940 HG13 ILE 130 1HG1 ILE 130 -1.597 5.724 3.435 941 HG21 ILE 130 1HG2 ILE 130 1.071 8.038 2.306 942 HG22 ILE 130 2HG2 ILE 130 0.494 8.840 3.767 943 HG23 ILE 130 3HG2 ILE 130 0.038 9.461 2.181 944 HD11 ILE 130 3HD1 ILE 130 1.357 6.136 3.011 945 HD12 ILE 130 1HD1 ILE 130 0.266 5.286 1.917 946 HD13 ILE 130 2HD1 ILE 130 0.578 4.640 3.527 947 H GLY 131 H GLY 131 -2.680 10.510 4.635 948 HA2 GLY 131 2HA GLY 131 -3.284 12.657 4.086 949 HA3 GLY 131 1HA GLY 131 -2.268 12.458 2.662 950 H LYS 132 H LYS 132 -3.211 12.410 0.747 951 HA LYS 132 HA LYS 132 -6.135 12.228 0.631 952 HB2 LYS 132 2HB LYS 132 -4.182 13.322 -1.392 953 HB3 LYS 132 1HB LYS 132 -5.928 13.316 -1.571 954 HG2 LYS 132 2HG LYS 132 -6.118 14.794 0.394 955 HG3 LYS 132 1HG LYS 132 -4.360 14.834 0.508 956 HD2 LYS 132 2HD LYS 132 -5.977 15.766 -1.869 957 HD3 LYS 132 1HD LYS 132 -5.277 16.818 -0.642 958 HE2 LYS 132 2HE LYS 132 -3.028 16.035 -1.274 959 HE3 LYS 132 1HE LYS 132 -3.740 14.990 -2.498 960 HZ1 LYS 132 3HZ LYS 132 -2.940 17.060 -3.463 961 HZ2 LYS 132 1HZ LYS 132 -3.960 17.947 -2.461 962 HZ3 LYS 132 2HZ LYS 132 -4.608 16.939 -3.614 963 H PHE 133 H PHE 133 -3.666 10.200 0.402 964 HA PHE 133 HA PHE 133 -4.343 8.821 -2.067 965 HB2 PHE 133 2HB PHE 133 -2.353 8.258 0.111 966 HB3 PHE 133 1HB PHE 133 -2.677 7.121 -1.180 967 HD1 PHE 133 2HD PHE 133 -1.203 10.345 -0.293 968 HD2 PHE 133 1HD PHE 133 -1.865 7.502 -3.377 969 HE1 PHE 133 2HE PHE 133 0.525 11.427 -1.661 970 HE2 PHE 133 1HE PHE 133 -0.140 8.564 -4.744 971 HZ PHE 133 HZ PHE 133 1.059 10.538 -3.888 972 H ARG 134 H ARG 134 -4.915 6.658 -2.089 973 HA ARG 134 HA ARG 134 -6.054 5.530 0.356 974 HB2 ARG 134 2HB ARG 134 -7.364 5.630 -2.355 975 HB3 ARG 134 1HB ARG 134 -7.821 4.487 -1.114 976 HG2 ARG 134 2HG ARG 134 -7.962 7.473 -0.849 977 HG3 ARG 134 1HG ARG 134 -9.321 6.402 -1.194 978 HD2 ARG 134 2HD ARG 134 -8.682 5.179 0.941 979 HD3 ARG 134 1HD ARG 134 -7.660 6.571 1.298 980 HE ARG 134 HE ARG 134 -9.882 7.809 0.851 981 HH11 ARG 134 1HH1 ARG 134 -9.346 4.841 2.654 982 HH12 ARG 134 2HH1 ARG 134 -10.747 4.927 3.595 983 HH21 ARG 134 1HH2 ARG 134 -11.859 7.990 2.105 984 HH22 ARG 134 2HH2 ARG 134 -12.252 6.776 3.224 985 H LEU 135 H LEU 135 -5.177 3.665 0.725 986 HA LEU 135 HA LEU 135 -4.323 2.032 -1.530 987 HB2 LEU 135 2HB LEU 135 -2.897 2.327 1.142 988 HB3 LEU 135 1HB LEU 135 -2.466 1.175 -0.097 989 HG LEU 135 HG LEU 135 -1.962 3.223 -1.574 990 HD11 LEU 135 1HD1 LEU 135 -1.968 4.604 1.099 991 HD12 LEU 135 2HD1 LEU 135 -3.057 4.924 -0.251 992 HD13 LEU 135 3HD1 LEU 135 -1.333 5.268 -0.407 993 HD21 LEU 135 3HD2 LEU 135 -0.265 2.656 0.852 994 HD22 LEU 135 1HD2 LEU 135 0.279 3.482 -0.608 995 HD23 LEU 135 2HD2 LEU 135 -0.223 1.796 -0.688 996 H VAL 136 H VAL 136 -5.284 0.129 -1.467 997 HA VAL 136 HA VAL 136 -6.627 -0.655 1.047 998 HB VAL 136 HB VAL 136 -7.319 -1.477 -1.806 999 HG11 VAL 136 1HG1 VAL 136 -8.792 -1.998 0.776 1000 HG12 VAL 136 2HG1 VAL 136 -7.915 -3.189 -0.183 1001 HG13 VAL 136 3HG1 VAL 136 -9.365 -2.426 -0.835 1002 HG21 VAL 136 3HG2 VAL 136 -7.845 0.879 -1.439 1003 HG22 VAL 136 1HG2 VAL 136 -8.743 0.465 0.020 1004 HG23 VAL 136 2HG2 VAL 136 -9.326 -0.072 -1.557 1005 H PHE 137 H PHE 137 -5.911 -2.556 1.909 1006 HA PHE 137 HA PHE 137 -3.753 -3.914 0.515 1007 HB2 PHE 137 2HB PHE 137 -3.572 -3.236 2.931 1008 HB3 PHE 137 1HB PHE 137 -4.837 -4.394 3.298 1009 HD1 PHE 137 1HD PHE 137 -1.761 -4.569 1.188 1010 HD2 PHE 137 2HD PHE 137 -3.945 -6.152 4.463 1011 HE1 PHE 137 1HE PHE 137 -0.013 -6.254 1.533 1012 HE2 PHE 137 2HE PHE 137 -2.207 -7.845 4.813 1013 HZ PHE 137 HZ PHE 137 -0.235 -7.897 3.357 1014 H LEU 138 H LEU 138 -4.142 -5.636 -0.683 1015 HA LEU 138 HA LEU 138 -6.735 -6.957 -0.379 1016 HB2 LEU 138 2HB LEU 138 -6.215 -5.651 -2.483 1017 HB3 LEU 138 1HB LEU 138 -4.936 -6.800 -2.793 1018 HG LEU 138 HG LEU 138 -6.654 -8.607 -2.919 1019 HD11 LEU 138 1HD1 LEU 138 -8.985 -7.954 -3.176 1020 HD12 LEU 138 2HD1 LEU 138 -8.568 -6.289 -2.771 1021 HD13 LEU 138 3HD1 LEU 138 -8.382 -7.562 -1.567 1022 HD21 LEU 138 3HD2 LEU 138 -5.812 -7.554 -4.952 1023 HD22 LEU 138 1HD2 LEU 138 -7.022 -6.277 -4.802 1024 HD23 LEU 138 2HD2 LEU 138 -7.524 -7.937 -5.109 1025 H ALA 139 H ALA 139 -6.756 -9.216 -0.451 1026 HA ALA 139 HA ALA 139 -4.398 -10.466 0.560 1027 HB1 ALA 139 1HB ALA 139 -7.008 -11.716 -0.285 1028 HB2 ALA 139 2HB ALA 139 -6.643 -11.105 1.329 1029 HB3 ALA 139 3HB ALA 139 -5.751 -12.480 0.683 1030 H GLY 140 H GLY 140 -2.900 -11.566 -0.465 1031 HA2 GLY 140 2HA GLY 140 -2.963 -11.792 -3.321 1032 HA3 GLY 140 1HA GLY 140 -1.690 -12.368 -2.243 1033 HA PRO 141 HA PRO 141 -5.183 -15.652 -3.194 1034 HB2 PRO 141 2HB PRO 141 -3.868 -16.299 -5.754 1035 HB3 PRO 141 1HB PRO 141 -5.588 -16.153 -5.389 1036 HG2 PRO 141 2HG PRO 141 -4.327 -14.283 -6.834 1037 HG3 PRO 141 1HG PRO 141 -5.597 -13.857 -5.675 1038 HD2 PRO 141 2HD PRO 141 -2.625 -13.641 -5.386 1039 HD3 PRO 141 1HD PRO 141 -3.904 -12.512 -4.879 1040 H ALA 142 H ALA 142 -4.823 -17.781 -2.775 1041 HA ALA 142 HA ALA 142 -2.137 -18.537 -2.065 1042 HB1 ALA 142 1HB ALA 142 -3.229 -20.518 -1.047 1043 HB2 ALA 142 2HB ALA 142 -4.783 -19.969 -1.670 1044 HB3 ALA 142 3HB ALA 142 -3.935 -19.014 -0.456 1045 H GLU 143 H GLU 143 -1.765 -18.302 -4.191 1046 HA GLU 143 HA GLU 143 -1.917 -20.799 -5.711 1047 HB2 GLU 143 2HB GLU 143 -3.583 -19.151 -6.521 1048 HB3 GLU 143 1HB GLU 143 -2.303 -17.987 -6.754 1049 HG2 GLU 143 2HG GLU 143 -1.333 -19.431 -8.477 1050 HG3 GLU 143 1HG GLU 143 -2.661 -20.573 -8.233 Start of MODEL 27 1 H1 MET 1 1HT MET 1 37.494 9.308 1.836 2 H2 MET 1 2HT MET 1 37.693 9.802 0.245 3 H3 MET 1 3HT MET 1 38.033 10.884 1.496 4 HA MET 1 HA MET 1 40.023 10.076 0.488 5 HB2 MET 1 2HB MET 1 39.602 8.825 3.231 6 HB3 MET 1 1HB MET 1 41.157 9.061 2.463 7 HG2 MET 1 2HG MET 1 40.859 10.739 4.120 8 HG3 MET 1 1HG MET 1 40.752 11.507 2.540 9 HE1 MET 1 2HE MET 1 39.840 12.861 5.247 10 HE2 MET 1 3HE MET 1 38.316 13.606 4.766 11 HE3 MET 1 1HE MET 1 39.706 13.661 3.679 12 H SER 2 H SER 2 38.960 7.263 2.393 13 HA SER 2 HA SER 2 39.083 5.621 -0.010 14 HB2 SER 2 2HB SER 2 40.437 4.944 2.631 15 HB3 SER 2 1HB SER 2 40.473 3.990 1.147 16 HG SER 2 HG SER 2 41.346 6.099 0.258 17 H ASP 3 H ASP 3 37.072 6.865 1.645 18 HA ASP 3 HA ASP 3 35.955 5.309 3.648 19 HB2 ASP 3 2HB ASP 3 34.586 7.204 1.724 20 HB3 ASP 3 1HB ASP 3 33.926 6.624 3.240 21 H ASN 4 H ASN 4 34.304 3.843 3.633 22 HA ASN 4 HA ASN 4 33.962 2.353 1.149 23 HB2 ASN 4 2HB ASN 4 34.537 1.108 3.220 24 HB3 ASN 4 1HB ASN 4 33.081 1.721 3.995 25 HD21 ASN 4 1HD2 ASN 4 32.332 -0.395 4.350 26 HD22 ASN 4 2HD2 ASN 4 31.724 -1.371 3.058 27 H ASN 5 H ASN 5 31.799 1.856 0.387 28 HA ASN 5 HA ASN 5 29.948 4.055 0.856 29 HB2 ASN 5 2HB ASN 5 30.551 3.012 -1.451 30 HB3 ASN 5 1HB ASN 5 29.488 1.695 -0.976 31 HD21 ASN 5 1HD2 ASN 5 27.218 2.150 -0.758 32 HD22 ASN 5 2HD2 ASN 5 26.541 3.552 -1.516 33 H GLY 6 H GLY 6 30.229 2.640 3.104 34 HA2 GLY 6 2HA GLY 6 28.191 0.591 3.338 35 HA3 GLY 6 1HA GLY 6 29.206 1.204 4.642 36 H THR 7 H THR 7 28.644 3.952 4.027 37 HA THR 7 HA THR 7 25.800 4.115 4.521 38 HB THR 7 HB THR 7 27.978 5.641 5.973 39 HG1 THR 7 1HG THR 7 26.232 3.535 6.511 40 HG21 THR 7 3HG2 THR 7 24.962 5.880 6.233 41 HG22 THR 7 1HG2 THR 7 26.014 7.105 5.519 42 HG23 THR 7 2HG2 THR 7 26.145 6.714 7.235 43 HA PRO 8 HA PRO 8 26.266 6.686 0.846 44 HB2 PRO 8 2HB PRO 8 23.330 6.750 1.199 45 HB3 PRO 8 1HB PRO 8 24.268 6.289 -0.222 46 HG2 PRO 8 2HG PRO 8 23.008 4.449 1.227 47 HG3 PRO 8 1HG PRO 8 24.613 4.130 0.546 48 HD2 PRO 8 2HD PRO 8 23.863 4.864 3.351 49 HD3 PRO 8 1HD PRO 8 25.035 3.661 2.756 50 H GLU 9 H GLU 9 25.866 8.898 0.457 51 HA GLU 9 HA GLU 9 25.649 10.500 2.817 52 HB2 GLU 9 2HB GLU 9 25.899 11.132 -0.130 53 HB3 GLU 9 1HB GLU 9 25.646 12.396 1.052 54 HG2 GLU 9 2HG GLU 9 27.993 12.178 0.377 55 HG3 GLU 9 1HG GLU 9 27.761 11.908 2.096 56 HA PRO 10 HA PRO 10 21.247 10.297 2.771 57 HB2 PRO 10 2HB PRO 10 20.788 12.378 4.514 58 HB3 PRO 10 1HB PRO 10 21.205 10.733 5.007 59 HG2 PRO 10 2HG PRO 10 22.952 13.141 4.755 60 HG3 PRO 10 1HG PRO 10 22.965 11.870 5.993 61 HD2 PRO 10 2HD PRO 10 24.761 11.948 3.999 62 HD3 PRO 10 1HD PRO 10 24.156 10.411 4.652 63 H GLN 11 H GLN 11 19.970 10.990 1.289 64 HA GLN 11 HA GLN 11 20.263 13.654 0.203 65 HB2 GLN 11 2HB GLN 11 18.456 11.384 -0.645 66 HB3 GLN 11 1HB GLN 11 18.720 12.878 -1.528 67 HG2 GLN 11 2HG GLN 11 21.079 12.259 -1.834 68 HG3 GLN 11 1HG GLN 11 20.768 10.742 -0.993 69 HE21 GLN 11 1HE2 GLN 11 21.286 9.489 -2.732 70 HE22 GLN 11 2HE2 GLN 11 20.316 9.359 -4.139 71 H VAL 12 H VAL 12 18.800 15.206 0.636 72 HA VAL 12 HA VAL 12 16.603 14.382 2.384 73 HB VAL 12 HB VAL 12 17.993 17.079 2.345 74 HG11 VAL 12 1HG1 VAL 12 15.642 17.278 2.944 75 HG12 VAL 12 2HG1 VAL 12 16.656 17.561 4.362 76 HG13 VAL 12 3HG1 VAL 12 15.826 16.020 4.164 77 HG21 VAL 12 3HG2 VAL 12 18.110 14.876 4.410 78 HG22 VAL 12 1HG2 VAL 12 18.844 16.470 4.571 79 HG23 VAL 12 2HG2 VAL 12 19.418 15.349 3.333 80 H GLU 13 H GLU 13 14.730 14.551 1.536 81 HA GLU 13 HA GLU 13 14.266 16.461 -0.606 82 HB2 GLU 13 2HB GLU 13 12.542 14.140 0.306 83 HB3 GLU 13 1HB GLU 13 12.219 15.178 -1.059 84 HG2 GLU 13 2HG GLU 13 14.520 13.257 -0.812 85 HG3 GLU 13 1HG GLU 13 13.069 13.031 -1.784 86 H THR 14 H THR 14 12.823 18.094 -0.214 87 HA THR 14 HA THR 14 12.398 18.659 2.587 88 HB THR 14 HB THR 14 11.655 20.352 0.190 89 HG1 THR 14 1HG THR 14 13.918 19.690 0.342 90 HG21 THR 14 3HG2 THR 14 12.245 21.088 3.075 91 HG22 THR 14 1HG2 THR 14 10.638 21.039 2.350 92 HG23 THR 14 2HG2 THR 14 11.825 22.213 1.787 93 H TPO 15 H TPO 15 10.512 18.351 3.676 94 HA TPO 15 HA TPO 15 8.104 17.688 2.131 95 HB TPO 15 HB TPO 15 8.605 17.231 5.096 96 HG21 TPO 15 1HG2 TPO 15 6.522 16.104 3.219 97 HG22 TPO 15 2HG2 TPO 15 6.237 17.334 4.447 98 HG23 TPO 15 3HG2 TPO 15 6.703 15.700 4.927 99 H SER 16 H SER 16 6.495 19.135 2.175 100 HA SER 16 HA SER 16 6.483 21.188 4.237 101 HB2 SER 16 2HB SER 16 6.204 21.819 1.794 102 HB3 SER 16 1HB SER 16 4.704 20.892 1.785 103 HG SER 16 HG SER 16 3.821 22.676 2.445 104 H VAL 17 H VAL 17 4.479 21.411 5.479 105 HA VAL 17 HA VAL 17 3.392 18.797 6.088 106 HB VAL 17 HB VAL 17 2.756 21.487 7.354 107 HG11 VAL 17 1HG1 VAL 17 2.119 18.698 8.318 108 HG12 VAL 17 2HG1 VAL 17 0.955 19.875 7.710 109 HG13 VAL 17 3HG1 VAL 17 1.820 20.186 9.215 110 HG21 VAL 17 3HG2 VAL 17 4.600 19.288 8.270 111 HG22 VAL 17 1HG2 VAL 17 4.214 20.743 9.186 112 HG23 VAL 17 2HG2 VAL 17 5.094 20.864 7.659 113 H PHE 18 H PHE 18 1.612 18.011 5.269 114 HA PHE 18 HA PHE 18 0.064 19.643 3.458 115 HB2 PHE 18 2HB PHE 18 0.874 17.191 3.070 116 HB3 PHE 18 1HB PHE 18 -0.474 16.786 4.129 117 HD1 PHE 18 1HD PHE 18 -2.811 17.327 3.424 118 HD2 PHE 18 2HD PHE 18 0.520 17.731 0.852 119 HE1 PHE 18 1HE PHE 18 -4.323 17.336 1.480 120 HE2 PHE 18 2HE PHE 18 -0.935 17.754 -1.080 121 HZ PHE 18 HZ PHE 18 -3.390 17.557 -0.786 122 H ARG 19 H ARG 19 -1.425 20.870 4.539 123 HA ARG 19 HA ARG 19 -3.180 19.359 6.277 124 HB2 ARG 19 2HB ARG 19 -3.598 21.361 7.656 125 HB3 ARG 19 1HB ARG 19 -1.940 20.813 7.746 126 HG2 ARG 19 2HG ARG 19 -1.245 22.635 6.289 127 HG3 ARG 19 1HG ARG 19 -2.932 23.161 6.141 128 HD2 ARG 19 2HD ARG 19 -3.035 23.437 8.571 129 HD3 ARG 19 1HD ARG 19 -1.332 22.998 8.688 130 HE ARG 19 HE ARG 19 -1.261 25.085 7.026 131 HH11 ARG 19 1HH1 ARG 19 -2.892 24.623 10.140 132 HH12 ARG 19 2HH1 ARG 19 -2.833 26.270 10.571 133 HH21 ARG 19 1HH2 ARG 19 -1.135 27.321 7.646 134 HH22 ARG 19 2HH2 ARG 19 -1.803 27.836 9.136 135 H ALA 20 H ALA 20 -5.141 19.247 5.663 136 HA ALA 20 HA ALA 20 -6.402 21.259 4.074 137 HB1 ALA 20 1HB ALA 20 -6.683 19.776 2.109 138 HB2 ALA 20 2HB ALA 20 -5.613 18.600 2.869 139 HB3 ALA 20 3HB ALA 20 -4.991 20.179 2.397 140 H ASP 21 H ASP 21 -8.273 19.516 2.951 141 HA ASP 21 HA ASP 21 -10.237 19.279 4.852 142 HB2 ASP 21 2HB ASP 21 -11.485 17.933 3.237 143 HB3 ASP 21 1HB ASP 21 -10.674 19.279 2.446 144 H LEU 22 H LEU 22 -7.672 17.038 4.313 145 HA LEU 22 HA LEU 22 -8.800 14.653 5.136 146 HB2 LEU 22 2HB LEU 22 -6.491 13.919 5.684 147 HB3 LEU 22 1HB LEU 22 -6.667 14.603 4.092 148 HG LEU 22 HG LEU 22 -5.686 16.770 5.112 149 HD11 LEU 22 1HD1 LEU 22 -4.770 14.853 7.245 150 HD12 LEU 22 2HD1 LEU 22 -5.886 16.196 7.469 151 HD13 LEU 22 3HD1 LEU 22 -4.209 16.510 7.018 152 HD21 LEU 22 3HD2 LEU 22 -3.394 15.948 4.854 153 HD22 LEU 22 1HD2 LEU 22 -4.470 15.419 3.557 154 HD23 LEU 22 2HD2 LEU 22 -4.016 14.298 4.842 155 H LEU 23 H LEU 23 -7.788 17.337 7.181 156 HA LEU 23 HA LEU 23 -7.958 15.627 9.473 157 HB2 LEU 23 2HB LEU 23 -7.335 17.784 10.695 158 HB3 LEU 23 1HB LEU 23 -6.109 16.961 9.753 159 HG LEU 23 HG LEU 23 -6.538 18.682 7.939 160 HD11 LEU 23 1HD1 LEU 23 -8.737 19.422 8.626 161 HD12 LEU 23 2HD1 LEU 23 -7.598 20.769 8.539 162 HD13 LEU 23 3HD1 LEU 23 -8.060 20.107 10.106 163 HD21 LEU 23 3HD2 LEU 23 -4.611 18.817 9.398 164 HD22 LEU 23 1HD2 LEU 23 -5.567 19.671 10.611 165 HD23 LEU 23 2HD2 LEU 23 -5.240 20.433 9.055 166 H LYS 24 H LYS 24 -10.216 17.109 7.736 167 HA LYS 24 HA LYS 24 -11.873 17.670 10.092 168 HB2 LYS 24 2HB LYS 24 -12.285 18.447 7.207 169 HB3 LYS 24 1HB LYS 24 -13.441 18.748 8.494 170 HG2 LYS 24 2HG LYS 24 -11.787 20.167 9.620 171 HG3 LYS 24 1HG LYS 24 -10.670 19.884 8.283 172 HD2 LYS 24 2HD LYS 24 -12.214 20.901 6.729 173 HD3 LYS 24 1HD LYS 24 -13.400 21.123 8.015 174 HE2 LYS 24 2HE LYS 24 -11.794 22.565 9.200 175 HE3 LYS 24 1HE LYS 24 -10.670 22.390 7.853 176 HZ1 LYS 24 3HZ LYS 24 -11.933 24.441 7.705 177 HZ2 LYS 24 1HZ LYS 24 -13.380 23.585 7.702 178 HZ3 LYS 24 2HZ LYS 24 -12.293 23.444 6.411 179 H GLU 25 H GLU 25 -11.812 16.060 6.989 180 HA GLU 25 HA GLU 25 -14.363 14.865 7.075 181 HB2 GLU 25 2HB GLU 25 -11.895 14.218 5.491 182 HB3 GLU 25 1HB GLU 25 -13.496 13.576 5.160 183 HG2 GLU 25 2HG GLU 25 -12.912 16.517 5.182 184 HG3 GLU 25 1HG GLU 25 -12.680 15.532 3.747 185 H MET 26 H MET 26 -11.209 13.829 8.194 186 HA MET 26 HA MET 26 -11.630 11.092 8.129 187 HB2 MET 26 2HB MET 26 -9.748 10.860 9.773 188 HB3 MET 26 1HB MET 26 -9.388 11.778 8.335 189 HG2 MET 26 2HG MET 26 -8.316 12.852 10.164 190 HG3 MET 26 1HG MET 26 -9.659 13.865 9.670 191 HE1 MET 26 3HE MET 26 -9.608 11.276 13.479 192 HE2 MET 26 1HE MET 26 -8.310 11.322 12.291 193 HE3 MET 26 2HE MET 26 -9.862 10.571 11.882 194 H GLU 27 H GLU 27 -12.554 13.269 10.694 195 HA GLU 27 HA GLU 27 -13.167 11.077 12.435 196 HB2 GLU 27 2HB GLU 27 -12.410 13.304 13.251 197 HB3 GLU 27 1HB GLU 27 -13.952 13.972 12.737 198 HG2 GLU 27 2HG GLU 27 -15.108 12.477 14.282 199 HG3 GLU 27 1HG GLU 27 -13.562 11.821 14.809 200 H SER 28 H SER 28 -14.954 13.176 10.285 201 HA SER 28 HA SER 28 -17.544 12.397 11.081 202 HB2 SER 28 2HB SER 28 -16.542 13.428 8.431 203 HB3 SER 28 1HB SER 28 -18.213 13.479 8.993 204 HG SER 28 HG SER 28 -17.305 14.663 10.840 205 H SER 29 H SER 29 -15.194 11.064 8.875 206 HA SER 29 HA SER 29 -17.050 9.222 7.724 207 HB2 SER 29 2HB SER 29 -15.000 8.386 6.522 208 HB3 SER 29 1HB SER 29 -15.414 10.076 6.230 209 HG SER 29 HG SER 29 -13.771 10.711 7.485 210 H THR 30 H THR 30 -15.107 9.234 10.517 211 HA THR 30 HA THR 30 -14.402 6.548 10.804 212 HB THR 30 HB THR 30 -15.356 8.393 13.019 213 HG1 THR 30 1HG THR 30 -13.235 8.728 11.333 214 HG21 THR 30 3HG2 THR 30 -14.948 6.063 13.698 215 HG22 THR 30 1HG2 THR 30 -13.748 7.147 14.401 216 HG23 THR 30 2HG2 THR 30 -13.325 6.148 13.012 217 H GLY 31 H GLY 31 -15.565 4.760 11.682 218 HA2 GLY 31 2HA GLY 31 -17.659 4.109 12.830 219 HA3 GLY 31 1HA GLY 31 -18.474 5.126 11.643 220 H THR 32 H THR 32 -17.368 4.599 9.336 221 HA THR 32 HA THR 32 -18.147 1.883 8.816 222 HB THR 32 HB THR 32 -16.749 3.805 6.933 223 HG1 THR 32 1HG THR 32 -19.098 4.057 8.196 224 HG21 THR 32 3HG2 THR 32 -18.040 2.616 5.212 225 HG22 THR 32 1HG2 THR 32 -18.781 1.609 6.455 226 HG23 THR 32 2HG2 THR 32 -17.051 1.485 6.134 227 H ALA 33 H ALA 33 -16.686 0.196 9.021 228 HA ALA 33 HA ALA 33 -13.851 0.882 8.890 229 HB1 ALA 33 1HB ALA 33 -14.532 0.727 11.225 230 HB2 ALA 33 2HB ALA 33 -13.413 -0.566 10.791 231 HB3 ALA 33 3HB ALA 33 -15.136 -0.906 10.941 232 HA PRO 34 HA PRO 34 -13.434 -2.732 6.220 233 HB2 PRO 34 2HB PRO 34 -10.773 -2.921 7.521 234 HB3 PRO 34 1HB PRO 34 -11.170 -2.836 5.802 235 HG2 PRO 34 2HG PRO 34 -10.116 -0.738 7.033 236 HG3 PRO 34 1HG PRO 34 -11.410 -0.528 5.838 237 HD2 PRO 34 2HD PRO 34 -11.560 -0.448 8.824 238 HD3 PRO 34 1HD PRO 34 -12.354 0.581 7.611 239 H ALA 35 H ALA 35 -13.415 -4.979 6.501 240 HA ALA 35 HA ALA 35 -13.654 -5.853 9.282 241 HB1 ALA 35 1HB ALA 35 -15.032 -7.675 8.399 242 HB2 ALA 35 2HB ALA 35 -14.788 -7.064 6.763 243 HB3 ALA 35 3HB ALA 35 -15.681 -6.100 7.937 244 H SER 36 H SER 36 -12.848 -7.964 9.779 245 HA SER 36 HA SER 36 -10.308 -8.517 8.608 246 HB2 SER 36 2HB SER 36 -11.905 -10.052 10.679 247 HB3 SER 36 1HB SER 36 -10.178 -10.216 10.356 248 HG SER 36 HG SER 36 -9.938 -8.047 10.939 249 H THR 37 H THR 37 -10.777 -9.142 6.465 250 HA THR 37 HA THR 37 -12.730 -11.154 5.956 251 HB THR 37 HB THR 37 -11.851 -10.971 3.569 252 HG1 THR 37 1HG THR 37 -10.588 -8.575 4.290 253 HG21 THR 37 3HG2 THR 37 -13.820 -9.711 4.374 254 HG22 THR 37 1HG2 THR 37 -12.880 -8.762 3.219 255 HG23 THR 37 2HG2 THR 37 -12.754 -8.429 4.947 256 H GLY 38 H GLY 38 -9.690 -11.406 4.327 257 HA2 GLY 38 2HA GLY 38 -9.323 -14.063 5.572 258 HA3 GLY 38 1HA GLY 38 -9.071 -13.783 3.856 259 H ALA 39 H ALA 39 -8.093 -12.228 6.849 260 HA ALA 39 HA ALA 39 -5.386 -11.926 5.816 261 HB1 ALA 39 1HB ALA 39 -6.482 -10.017 6.918 262 HB2 ALA 39 2HB ALA 39 -5.002 -10.508 7.737 263 HB3 ALA 39 3HB ALA 39 -6.572 -10.952 8.410 264 H GLU 40 H GLU 40 -7.141 -13.375 8.460 265 HA GLU 40 HA GLU 40 -4.933 -14.221 10.010 266 HB2 GLU 40 2HB GLU 40 -6.579 -15.338 11.350 267 HB3 GLU 40 1HB GLU 40 -7.099 -13.708 10.932 268 HG2 GLU 40 2HG GLU 40 -8.458 -14.753 9.067 269 HG3 GLU 40 1HG GLU 40 -8.067 -16.306 9.779 270 H ASN 41 H ASN 41 -5.866 -15.538 7.149 271 HA ASN 41 HA ASN 41 -5.519 -18.280 7.987 272 HB2 ASN 41 2HB ASN 41 -5.895 -18.884 5.642 273 HB3 ASN 41 1HB ASN 41 -7.200 -17.878 6.243 274 HD21 ASN 41 1HD2 ASN 41 -6.458 -18.410 3.534 275 HD22 ASN 41 2HD2 ASN 41 -6.086 -16.887 2.805 276 H LEU 42 H LEU 42 -3.808 -15.669 6.621 277 HA LEU 42 HA LEU 42 -1.714 -15.318 5.875 278 HB2 LEU 42 2HB LEU 42 -1.148 -17.338 8.027 279 HB3 LEU 42 1HB LEU 42 0.068 -16.279 7.322 280 HG LEU 42 HG LEU 42 -2.320 -15.441 8.984 281 HD11 LEU 42 1HD1 LEU 42 -0.581 -16.506 10.299 282 HD12 LEU 42 2HD1 LEU 42 -0.670 -14.781 10.646 283 HD13 LEU 42 3HD1 LEU 42 0.622 -15.407 9.621 284 HD21 LEU 42 3HD2 LEU 42 -1.822 -13.739 7.321 285 HD22 LEU 42 1HD2 LEU 42 -0.116 -13.768 7.774 286 HD23 LEU 42 2HD2 LEU 42 -1.325 -13.194 8.920 287 HA PRO 43 HA PRO 43 -1.409 -19.037 3.272 288 HB2 PRO 43 2HB PRO 43 -1.999 -17.818 0.908 289 HB3 PRO 43 1HB PRO 43 -3.199 -18.555 1.976 290 HG2 PRO 43 2HG PRO 43 -2.737 -15.743 1.387 291 HG3 PRO 43 1HG PRO 43 -4.089 -16.479 2.267 292 HD2 PRO 43 2HD PRO 43 -1.742 -15.098 3.288 293 HD3 PRO 43 1HD PRO 43 -3.186 -15.635 4.170 294 H ALA 44 H ALA 44 -0.579 -16.176 1.343 295 HA ALA 44 HA ALA 44 1.747 -17.429 0.310 296 HB1 ALA 44 1HB ALA 44 2.091 -15.375 -0.917 297 HB2 ALA 44 2HB ALA 44 0.926 -14.542 0.113 298 HB3 ALA 44 3HB ALA 44 0.386 -15.832 -0.960 299 H GLY 45 H GLY 45 1.192 -15.171 2.903 300 HA2 GLY 45 2HA GLY 45 2.663 -14.587 4.595 301 HA3 GLY 45 1HA GLY 45 3.959 -15.410 3.728 302 H SER 46 H SER 46 2.249 -13.470 1.692 303 HA SER 46 HA SER 46 3.942 -11.118 2.043 304 HB2 SER 46 2HB SER 46 3.307 -12.496 -0.599 305 HB3 SER 46 1HB SER 46 4.306 -11.055 -0.391 306 HG SER 46 HG SER 46 5.299 -13.348 -0.526 307 H ALA 47 H ALA 47 2.848 -9.255 0.676 308 HA ALA 47 HA ALA 47 -0.020 -9.615 0.409 309 HB1 ALA 47 1HB ALA 47 1.197 -7.618 2.309 310 HB2 ALA 47 2HB ALA 47 0.281 -9.056 2.765 311 HB3 ALA 47 3HB ALA 47 -0.512 -7.741 1.893 312 H LEU 48 H LEU 48 -1.011 -7.756 -0.663 313 HA LEU 48 HA LEU 48 0.926 -6.001 -1.861 314 HB2 LEU 48 2HB LEU 48 -0.118 -6.151 -4.072 315 HB3 LEU 48 1HB LEU 48 0.558 -7.669 -3.575 316 HG LEU 48 HG LEU 48 -1.370 -8.167 -4.778 317 HD11 LEU 48 1HD1 LEU 48 -2.925 -9.279 -3.313 318 HD12 LEU 48 2HD1 LEU 48 -2.180 -8.477 -1.933 319 HD13 LEU 48 3HD1 LEU 48 -1.234 -9.592 -2.922 320 HD21 LEU 48 3HD2 LEU 48 -2.930 -6.146 -3.174 321 HD22 LEU 48 1HD2 LEU 48 -3.627 -7.251 -4.360 322 HD23 LEU 48 2HD2 LEU 48 -2.467 -6.028 -4.871 323 H LEU 49 H LEU 49 0.314 -3.987 -2.128 324 HA LEU 49 HA LEU 49 -2.342 -3.365 -1.083 325 HB2 LEU 49 2HB LEU 49 -1.426 -1.147 -0.403 326 HB3 LEU 49 1HB LEU 49 -0.703 -2.496 0.434 327 HG LEU 49 HG LEU 49 1.238 -2.232 -1.274 328 HD11 LEU 49 1HD1 LEU 49 1.600 0.048 -2.073 329 HD12 LEU 49 2HD1 LEU 49 -0.019 0.490 -1.532 330 HD13 LEU 49 3HD1 LEU 49 0.186 -0.702 -2.813 331 HD21 LEU 49 3HD2 LEU 49 2.315 -0.564 0.150 332 HD22 LEU 49 1HD2 LEU 49 1.451 -1.781 1.087 333 HD23 LEU 49 2HD2 LEU 49 0.750 -0.176 0.864 334 H VAL 50 H VAL 50 -3.674 -2.099 -2.216 335 HA VAL 50 HA VAL 50 -2.657 -1.374 -4.849 336 HB VAL 50 HB VAL 50 -4.301 -3.198 -5.005 337 HG11 VAL 50 1HG1 VAL 50 -6.271 -1.320 -3.730 338 HG12 VAL 50 2HG1 VAL 50 -5.623 -2.802 -3.028 339 HG13 VAL 50 3HG1 VAL 50 -6.660 -2.882 -4.451 340 HG21 VAL 50 3HG2 VAL 50 -5.349 -0.583 -6.086 341 HG22 VAL 50 1HG2 VAL 50 -5.851 -2.181 -6.639 342 HG23 VAL 50 2HG2 VAL 50 -4.185 -1.654 -6.866 343 H VAL 51 H VAL 51 -2.760 0.644 -5.446 344 HA VAL 51 HA VAL 51 -3.864 2.577 -3.572 345 HB VAL 51 HB VAL 51 -2.517 3.078 -6.251 346 HG11 VAL 51 1HG1 VAL 51 -2.067 5.312 -5.346 347 HG12 VAL 51 2HG1 VAL 51 -2.925 4.883 -3.865 348 HG13 VAL 51 3HG1 VAL 51 -3.798 4.975 -5.392 349 HG21 VAL 51 3HG2 VAL 51 -0.447 3.479 -5.006 350 HG22 VAL 51 1HG2 VAL 51 -1.001 1.817 -4.812 351 HG23 VAL 51 2HG2 VAL 51 -1.244 2.986 -3.514 352 H LYS 52 H LYS 52 -5.828 3.193 -3.695 353 HA LYS 52 HA LYS 52 -7.407 2.451 -6.023 354 HB2 LYS 52 2HB LYS 52 -8.019 1.710 -3.722 355 HB3 LYS 52 1HB LYS 52 -8.275 3.387 -3.286 356 HG2 LYS 52 2HG LYS 52 -10.110 3.552 -4.831 357 HG3 LYS 52 1HG LYS 52 -9.793 1.923 -5.430 358 HD2 LYS 52 2HD LYS 52 -10.197 1.057 -3.137 359 HD3 LYS 52 1HD LYS 52 -10.650 2.689 -2.644 360 HE2 LYS 52 2HE LYS 52 -12.472 2.702 -4.214 361 HE3 LYS 52 1HE LYS 52 -11.964 1.137 -4.849 362 HZ1 LYS 52 3HZ LYS 52 -12.958 1.630 -2.088 363 HZ2 LYS 52 1HZ LYS 52 -12.437 0.155 -2.700 364 HZ3 LYS 52 2HZ LYS 52 -13.798 0.863 -3.345 365 H ARG 53 H ARG 53 -6.342 5.173 -4.175 366 HA ARG 53 HA ARG 53 -7.192 6.896 -6.355 367 HB2 ARG 53 2HB ARG 53 -8.992 7.233 -4.714 368 HB3 ARG 53 1HB ARG 53 -7.791 7.556 -3.463 369 HG2 ARG 53 2HG ARG 53 -6.996 9.498 -4.772 370 HG3 ARG 53 1HG ARG 53 -8.294 9.212 -5.921 371 HD2 ARG 53 2HD ARG 53 -9.938 9.709 -4.265 372 HD3 ARG 53 1HD ARG 53 -8.706 9.788 -3.002 373 HE ARG 53 HE ARG 53 -7.980 11.548 -5.015 374 HH11 ARG 53 1HH1 ARG 53 -10.578 11.276 -2.634 375 HH12 ARG 53 2HH1 ARG 53 -10.750 12.951 -2.436 376 HH21 ARG 53 1HH2 ARG 53 -8.223 13.846 -4.740 377 HH22 ARG 53 2HH2 ARG 53 -9.401 14.445 -3.652 378 H GLY 54 H GLY 54 -5.776 8.446 -6.817 379 HA2 GLY 54 2HA GLY 54 -4.132 9.973 -5.554 380 HA3 GLY 54 1HA GLY 54 -3.267 8.440 -5.369 381 HA PRO 55 HA PRO 55 -2.465 10.432 -9.643 382 HB2 PRO 55 2HB PRO 55 0.286 10.357 -8.472 383 HB3 PRO 55 1HB PRO 55 -0.432 11.552 -9.565 384 HG2 PRO 55 2HG PRO 55 -0.162 12.161 -7.022 385 HG3 PRO 55 1HG PRO 55 -1.683 12.548 -7.856 386 HD2 PRO 55 2HD PRO 55 -1.081 10.288 -5.988 387 HD3 PRO 55 1HD PRO 55 -2.515 11.340 -6.065 388 H ASN 56 H ASN 56 -0.531 8.140 -7.652 389 HA ASN 56 HA ASN 56 -0.072 6.505 -9.996 390 HB2 ASN 56 2HB ASN 56 1.404 5.170 -8.521 391 HB3 ASN 56 1HB ASN 56 1.825 6.875 -8.528 392 HD21 ASN 56 1HD2 ASN 56 0.619 4.245 -6.699 393 HD22 ASN 56 2HD2 ASN 56 0.672 5.024 -5.157 394 H ALA 57 H ALA 57 -2.764 6.775 -8.735 395 HA ALA 57 HA ALA 57 -3.534 4.366 -7.491 396 HB1 ALA 57 1HB ALA 57 -5.234 6.198 -9.166 397 HB2 ALA 57 2HB ALA 57 -4.933 6.377 -7.439 398 HB3 ALA 57 3HB ALA 57 -5.814 4.971 -8.045 399 H GLY 58 H GLY 58 -4.494 2.547 -8.268 400 HA2 GLY 58 2HA GLY 58 -5.359 1.209 -10.015 401 HA3 GLY 58 1HA GLY 58 -4.415 2.154 -11.168 402 H ALA 59 H ALA 59 -2.221 2.062 -9.102 403 HA ALA 59 HA ALA 59 -1.037 -0.359 -10.145 404 HB1 ALA 59 1HB ALA 59 0.270 1.719 -10.213 405 HB2 ALA 59 2HB ALA 59 1.050 0.498 -9.207 406 HB3 ALA 59 3HB ALA 59 0.171 1.828 -8.455 407 H ARG 60 H ARG 60 -0.328 -2.021 -8.904 408 HA ARG 60 HA ARG 60 -1.044 -1.938 -6.071 409 HB2 ARG 60 2HB ARG 60 -1.401 -4.403 -6.207 410 HB3 ARG 60 1HB ARG 60 -2.561 -3.491 -7.159 411 HG2 ARG 60 2HG ARG 60 -1.353 -4.033 -9.192 412 HG3 ARG 60 1HG ARG 60 -0.117 -4.871 -8.260 413 HD2 ARG 60 2HD ARG 60 -1.686 -6.452 -9.245 414 HD3 ARG 60 1HD ARG 60 -1.786 -6.474 -7.486 415 HE ARG 60 HE ARG 60 -3.688 -4.693 -8.593 416 HH11 ARG 60 1HH1 ARG 60 -3.061 -8.149 -8.158 417 HH12 ARG 60 2HH1 ARG 60 -4.695 -8.612 -8.167 418 HH21 ARG 60 1HH2 ARG 60 -5.979 -5.320 -8.556 419 HH22 ARG 60 2HH2 ARG 60 -6.382 -6.968 -8.371 420 H PHE 61 H PHE 61 0.493 -2.552 -4.699 421 HA PHE 61 HA PHE 61 3.059 -3.236 -5.928 422 HB2 PHE 61 2HB PHE 61 2.569 -1.528 -3.483 423 HB3 PHE 61 1HB PHE 61 4.145 -2.017 -4.097 424 HD1 PHE 61 2HD PHE 61 4.871 -1.205 -6.369 425 HD2 PHE 61 1HD PHE 61 1.460 0.369 -4.362 426 HE1 PHE 61 2HE PHE 61 4.926 0.778 -7.823 427 HE2 PHE 61 1HE PHE 61 1.513 2.349 -5.817 428 HZ PHE 61 HZ PHE 61 3.249 2.556 -7.549 429 H LEU 62 H LEU 62 3.917 -5.025 -5.303 430 HA LEU 62 HA LEU 62 2.654 -6.560 -3.202 431 HB2 LEU 62 2HB LEU 62 3.088 -7.612 -5.370 432 HB3 LEU 62 1HB LEU 62 4.796 -7.267 -5.207 433 HG LEU 62 HG LEU 62 4.858 -8.796 -3.236 434 HD11 LEU 62 1HD1 LEU 62 2.526 -8.695 -2.577 435 HD12 LEU 62 2HD1 LEU 62 3.012 -10.357 -2.898 436 HD13 LEU 62 3HD1 LEU 62 2.048 -9.474 -4.085 437 HD21 LEU 62 3HD2 LEU 62 4.719 -10.859 -4.558 438 HD22 LEU 62 1HD2 LEU 62 5.558 -9.569 -5.421 439 HD23 LEU 62 2HD2 LEU 62 3.893 -9.970 -5.838 440 H LEU 63 H LEU 63 3.474 -6.627 -1.268 441 HA LEU 63 HA LEU 63 6.071 -5.514 -0.685 442 HB2 LEU 63 2HB LEU 63 4.056 -6.832 1.143 443 HB3 LEU 63 1HB LEU 63 5.404 -5.816 1.613 444 HG LEU 63 HG LEU 63 2.940 -4.888 0.130 445 HD11 LEU 63 1HD1 LEU 63 2.462 -5.461 2.435 446 HD12 LEU 63 2HD1 LEU 63 2.385 -3.720 2.183 447 HD13 LEU 63 3HD1 LEU 63 3.785 -4.428 2.980 448 HD21 LEU 63 3HD2 LEU 63 5.273 -3.312 1.223 449 HD22 LEU 63 1HD2 LEU 63 3.809 -2.628 0.516 450 HD23 LEU 63 2HD2 LEU 63 4.906 -3.577 -0.484 451 H ASP 64 H ASP 64 7.675 -6.885 -1.176 452 HA ASP 64 HA ASP 64 7.211 -9.765 -0.793 453 HB2 ASP 64 2HB ASP 64 7.591 -9.154 -3.112 454 HB3 ASP 64 1HB ASP 64 9.090 -8.346 -2.693 455 H GLN 65 H GLN 65 9.130 -7.144 0.269 456 HA GLN 65 HA GLN 65 11.083 -9.032 1.357 457 HB2 GLN 65 2HB GLN 65 12.611 -7.138 1.628 458 HB3 GLN 65 1HB GLN 65 12.127 -7.341 -0.033 459 HG2 GLN 65 2HG GLN 65 10.507 -5.496 0.256 460 HG3 GLN 65 1HG GLN 65 11.127 -5.269 1.887 461 HE21 GLN 65 1HE2 GLN 65 13.871 -5.866 1.120 462 HE22 GLN 65 2HE2 GLN 65 14.455 -4.502 0.255 463 HA PRO 66 HA PRO 66 9.890 -8.624 5.537 464 HB2 PRO 66 2HB PRO 66 12.695 -7.782 6.102 465 HB3 PRO 66 1HB PRO 66 11.715 -9.028 6.886 466 HG2 PRO 66 2HG PRO 66 13.588 -9.722 5.156 467 HG3 PRO 66 1HG PRO 66 12.017 -10.541 5.142 468 HD2 PRO 66 2HD PRO 66 13.095 -8.473 3.283 469 HD3 PRO 66 1HD PRO 66 12.065 -9.878 2.944 470 H THR 67 H THR 67 11.659 -5.884 4.160 471 HA THR 67 HA THR 67 9.884 -4.228 5.760 472 HB THR 67 HB THR 67 12.879 -3.728 5.589 473 HG1 THR 67 1HG THR 67 11.381 -5.187 7.240 474 HG21 THR 67 3HG2 THR 67 10.701 -2.213 7.066 475 HG22 THR 67 1HG2 THR 67 11.553 -1.637 5.632 476 HG23 THR 67 2HG2 THR 67 12.428 -1.864 7.147 477 H THR 68 H THR 68 8.845 -2.962 4.450 478 HA THR 68 HA THR 68 10.137 -2.177 1.954 479 HB THR 68 HB THR 68 7.166 -2.534 2.470 480 HG1 THR 68 1HG THR 68 8.637 -4.454 2.322 481 HG21 THR 68 3HG2 THR 68 8.685 -2.043 -0.100 482 HG22 THR 68 1HG2 THR 68 7.717 -0.832 0.746 483 HG23 THR 68 2HG2 THR 68 6.942 -2.254 0.050 484 H THR 69 H THR 69 10.720 -0.074 2.075 485 HA THR 69 HA THR 69 9.336 1.692 3.846 486 HB THR 69 HB THR 69 11.176 3.252 2.733 487 HG1 THR 69 1HG THR 69 12.824 2.118 1.781 488 HG21 THR 69 3HG2 THR 69 11.124 2.556 5.108 489 HG22 THR 69 1HG2 THR 69 12.766 2.512 4.466 490 HG23 THR 69 2HG2 THR 69 11.859 1.016 4.665 491 H ALA 70 H ALA 70 8.037 3.351 3.218 492 HA ALA 70 HA ALA 70 7.386 3.439 0.368 493 HB1 ALA 70 1HB ALA 70 5.571 3.831 2.736 494 HB2 ALA 70 2HB ALA 70 5.637 2.402 1.706 495 HB3 ALA 70 3HB ALA 70 5.103 3.947 1.038 496 H GLY 71 H GLY 71 7.433 5.315 -0.550 497 HA2 GLY 71 2HA GLY 71 6.697 7.736 -0.134 498 HA3 GLY 71 1HA GLY 71 7.999 7.693 1.057 499 H ARG 72 H ARG 72 8.437 9.495 -0.723 500 HA ARG 72 HA ARG 72 9.822 8.404 -3.017 501 HB2 ARG 72 2HB ARG 72 8.639 10.395 -3.446 502 HB3 ARG 72 1HB ARG 72 9.164 11.108 -1.937 503 HG2 ARG 72 2HG ARG 72 11.371 11.481 -2.827 504 HG3 ARG 72 1HG ARG 72 10.931 10.674 -4.336 505 HD2 ARG 72 2HD ARG 72 9.430 12.361 -4.934 506 HD3 ARG 72 1HD ARG 72 9.380 13.019 -3.302 507 HE ARG 72 HE ARG 72 11.968 13.298 -4.063 508 HH11 ARG 72 1HH1 ARG 72 8.901 14.341 -5.555 509 HH12 ARG 72 2HH1 ARG 72 9.541 15.778 -6.195 510 HH21 ARG 72 1HH2 ARG 72 12.776 15.309 -4.788 511 HH22 ARG 72 2HH2 ARG 72 11.829 16.357 -5.761 512 H HIS 73 H HIS 73 11.861 7.681 -2.748 513 HA HIS 73 HA HIS 73 13.984 9.161 -1.756 514 HB2 HIS 73 2HB HIS 73 12.545 8.015 0.389 515 HB3 HIS 73 1HB HIS 73 13.904 6.926 0.138 516 HD1 HIS 73 1HD HIS 73 15.824 7.587 1.779 517 HD2 HIS 73 2HD HIS 73 13.732 10.861 0.268 518 HE1 HIS 73 1HE HIS 73 16.799 9.597 2.860 519 HA PRO 74 HA PRO 74 15.902 6.014 -4.268 520 HB2 PRO 74 2HB PRO 74 18.277 6.348 -2.521 521 HB3 PRO 74 1HB PRO 74 18.127 6.518 -4.271 522 HG2 PRO 74 2HG PRO 74 18.375 8.666 -2.741 523 HG3 PRO 74 1HG PRO 74 17.276 8.662 -4.132 524 HD2 PRO 74 2HD PRO 74 16.639 8.403 -1.222 525 HD3 PRO 74 1HD PRO 74 15.801 9.302 -2.502 526 H GLU 75 H GLU 75 15.689 5.671 -0.866 527 HA GLU 75 HA GLU 75 16.571 2.862 -0.973 528 HB2 GLU 75 2HB GLU 75 16.726 2.978 1.441 529 HB3 GLU 75 1HB GLU 75 17.637 4.291 0.705 530 HG2 GLU 75 2HG GLU 75 15.654 5.765 1.106 531 HG3 GLU 75 1HG GLU 75 14.955 4.447 2.039 532 H SER 76 H SER 76 13.778 4.403 -1.466 533 HA SER 76 HA SER 76 12.179 2.628 0.194 534 HB2 SER 76 2HB SER 76 11.386 5.032 -1.456 535 HB3 SER 76 1HB SER 76 10.321 4.114 -0.391 536 HG SER 76 HG SER 76 11.203 6.034 0.523 537 H ASP 77 H ASP 77 11.276 0.911 -0.667 538 HA ASP 77 HA ASP 77 11.807 0.121 -3.338 539 HB2 ASP 77 2HB ASP 77 11.544 -1.562 -1.590 540 HB3 ASP 77 1HB ASP 77 9.890 -1.038 -1.312 541 H ILE 78 H ILE 78 8.832 1.219 -1.759 542 HA ILE 78 HA ILE 78 7.858 1.609 -4.452 543 HB ILE 78 HB ILE 78 5.551 1.183 -3.775 544 HG12 ILE 78 2HG1 ILE 78 5.331 -0.111 -1.455 545 HG13 ILE 78 1HG1 ILE 78 6.697 0.908 -1.014 546 HG21 ILE 78 1HG2 ILE 78 5.733 -1.243 -3.296 547 HG22 ILE 78 2HG2 ILE 78 7.463 -1.008 -3.057 548 HG23 ILE 78 3HG2 ILE 78 6.737 -0.671 -4.628 549 HD11 ILE 78 3HD1 ILE 78 4.003 1.870 -1.966 550 HD12 ILE 78 1HD1 ILE 78 5.364 2.896 -1.518 551 HD13 ILE 78 2HD1 ILE 78 4.586 1.881 -0.301 552 H PHE 79 H PHE 79 7.164 3.529 -5.048 553 HA PHE 79 HA PHE 79 7.041 5.531 -2.943 554 HB2 PHE 79 2HB PHE 79 7.980 7.198 -4.570 555 HB3 PHE 79 1HB PHE 79 9.106 5.953 -4.067 556 HD1 PHE 79 1HD PHE 79 7.065 7.234 -6.855 557 HD2 PHE 79 2HD PHE 79 10.020 4.413 -5.655 558 HE1 PHE 79 1HE PHE 79 7.582 6.776 -9.214 559 HE2 PHE 79 2HE PHE 79 10.540 3.948 -8.015 560 HZ PHE 79 HZ PHE 79 9.320 5.131 -9.797 561 H LEU 80 H LEU 80 5.599 7.104 -3.082 562 HA LEU 80 HA LEU 80 3.322 6.738 -4.960 563 HB2 LEU 80 2HB LEU 80 3.452 8.177 -2.303 564 HB3 LEU 80 1HB LEU 80 2.024 7.864 -3.261 565 HG LEU 80 HG LEU 80 3.664 5.785 -1.804 566 HD11 LEU 80 1HD1 LEU 80 0.947 6.933 -1.198 567 HD12 LEU 80 2HD1 LEU 80 2.431 7.219 -0.288 568 HD13 LEU 80 3HD1 LEU 80 1.721 5.608 -0.332 569 HD21 LEU 80 3HD2 LEU 80 1.849 4.242 -2.369 570 HD22 LEU 80 1HD2 LEU 80 2.626 4.872 -3.823 571 HD23 LEU 80 2HD2 LEU 80 1.062 5.510 -3.310 572 H ASP 81 H ASP 81 2.718 8.445 -6.141 573 HA ASP 81 HA ASP 81 4.588 10.687 -6.119 574 HB2 ASP 81 2HB ASP 81 4.100 9.707 -8.326 575 HB3 ASP 81 1HB ASP 81 2.378 9.970 -8.074 576 H ASP 82 H ASP 82 4.046 12.408 -5.028 577 HA ASP 82 HA ASP 82 1.276 12.582 -4.007 578 HB2 ASP 82 2HB ASP 82 3.115 11.833 -2.429 579 HB3 ASP 82 1HB ASP 82 3.859 13.396 -2.664 580 H VAL 83 H VAL 83 0.779 14.775 -3.305 581 HA VAL 83 HA VAL 83 1.216 16.705 -5.411 582 HB VAL 83 HB VAL 83 -0.156 17.047 -2.735 583 HG11 VAL 83 1HG1 VAL 83 -1.446 18.826 -3.830 584 HG12 VAL 83 2HG1 VAL 83 -0.502 18.587 -5.297 585 HG13 VAL 83 3HG1 VAL 83 0.287 19.160 -3.825 586 HG21 VAL 83 3HG2 VAL 83 -1.363 16.104 -5.333 587 HG22 VAL 83 1HG2 VAL 83 -2.284 16.545 -3.895 588 HG23 VAL 83 2HG2 VAL 83 -1.182 15.170 -3.853 589 H THR 84 H THR 84 2.266 16.008 -2.187 590 HA THR 84 HA THR 84 4.060 18.327 -2.122 591 HB THR 84 HB THR 84 2.861 16.714 0.172 592 HG1 THR 84 1HG THR 84 1.318 17.817 -0.903 593 HG21 THR 84 3HG2 THR 84 4.950 17.871 0.771 594 HG22 THR 84 1HG2 THR 84 3.568 18.625 1.563 595 HG23 THR 84 2HG2 THR 84 4.292 19.387 0.144 596 H VAL 85 H VAL 85 6.118 17.565 -0.703 597 HA VAL 85 HA VAL 85 6.890 15.064 -1.960 598 HB VAL 85 HB VAL 85 8.651 17.093 -0.552 599 HG11 VAL 85 1HG1 VAL 85 9.655 14.890 -0.466 600 HG12 VAL 85 2HG1 VAL 85 10.503 15.911 -1.640 601 HG13 VAL 85 3HG1 VAL 85 9.374 14.682 -2.196 602 HG21 VAL 85 3HG2 VAL 85 7.676 17.986 -2.595 603 HG22 VAL 85 1HG2 VAL 85 8.224 16.570 -3.490 604 HG23 VAL 85 2HG2 VAL 85 9.402 17.692 -2.812 605 H SER 86 H SER 86 6.112 13.436 -0.792 606 HA SER 86 HA SER 86 6.672 13.303 2.041 607 HB2 SER 86 2HB SER 86 5.246 11.131 1.662 608 HB3 SER 86 1HB SER 86 4.449 12.707 1.642 609 HG SER 86 HG SER 86 3.752 12.025 -0.208 610 H ARG 87 H ARG 87 8.869 12.866 2.122 611 HA ARG 87 HA ARG 87 9.905 10.804 0.415 612 HB2 ARG 87 2HB ARG 87 12.106 11.262 1.197 613 HB3 ARG 87 1HB ARG 87 11.291 12.768 0.816 614 HG2 ARG 87 2HG ARG 87 11.069 13.275 3.153 615 HG3 ARG 87 1HG ARG 87 11.667 11.675 3.595 616 HD2 ARG 87 2HD ARG 87 13.818 12.185 2.559 617 HD3 ARG 87 1HD ARG 87 13.221 13.773 2.100 618 HE ARG 87 HE ARG 87 12.915 14.054 4.608 619 HH11 ARG 87 1HH1 ARG 87 15.606 12.172 3.113 620 HH12 ARG 87 2HH1 ARG 87 16.685 12.547 4.357 621 HH21 ARG 87 1HH2 ARG 87 14.538 14.548 6.288 622 HH22 ARG 87 2HH2 ARG 87 16.094 13.875 6.157 623 H ARG 88 H ARG 88 9.354 11.080 3.861 624 HA ARG 88 HA ARG 88 9.846 8.187 4.007 625 HB2 ARG 88 2HB ARG 88 11.635 9.758 5.045 626 HB3 ARG 88 1HB ARG 88 10.423 10.117 6.255 627 HG2 ARG 88 2HG ARG 88 11.890 8.456 7.129 628 HG3 ARG 88 1HG ARG 88 10.344 7.673 6.789 629 HD2 ARG 88 2HD ARG 88 11.185 6.722 4.768 630 HD3 ARG 88 1HD ARG 88 12.657 7.680 4.863 631 HE ARG 88 HE ARG 88 12.008 5.588 6.843 632 HH11 ARG 88 1HH1 ARG 88 14.326 7.126 4.619 633 HH12 ARG 88 2HH1 ARG 88 15.570 6.016 4.960 634 HH21 ARG 88 1HH2 ARG 88 13.763 4.126 7.327 635 HH22 ARG 88 2HH2 ARG 88 15.268 4.316 6.570 636 H HIS 89 H HIS 89 7.642 7.833 3.797 637 HA HIS 89 HA HIS 89 5.914 9.275 5.652 638 HB2 HIS 89 2HB HIS 89 5.351 9.436 3.291 639 HB3 HIS 89 1HB HIS 89 5.265 7.684 3.171 640 HD2 HIS 89 2HD HIS 89 3.259 10.557 5.054 641 HE1 HIS 89 1HE HIS 89 0.763 7.271 4.213 642 HE2 HIS 89 2HE HIS 89 1.045 9.392 5.530 643 H ALA 90 H ALA 90 6.434 5.898 4.511 644 HA ALA 90 HA ALA 90 5.580 5.012 7.147 645 HB1 ALA 90 1HB ALA 90 3.506 5.151 5.855 646 HB2 ALA 90 2HB ALA 90 3.904 3.483 6.264 647 HB3 ALA 90 3HB ALA 90 4.194 4.086 4.632 648 H GLU 91 H GLU 91 5.922 2.732 7.462 649 HA GLU 91 HA GLU 91 7.672 1.433 5.553 650 HB2 GLU 91 2HB GLU 91 9.101 0.603 7.425 651 HB3 GLU 91 1HB GLU 91 9.220 2.338 7.191 652 HG2 GLU 91 2HG GLU 91 7.746 2.706 9.093 653 HG3 GLU 91 1HG GLU 91 7.562 0.962 9.280 654 H PHE 92 H PHE 92 7.215 -0.620 5.285 655 HA PHE 92 HA PHE 92 5.086 -1.793 6.940 656 HB2 PHE 92 2HB PHE 92 5.873 -2.360 4.066 657 HB3 PHE 92 1HB PHE 92 4.613 -3.197 4.953 658 HD1 PHE 92 2HD PHE 92 5.591 0.191 3.733 659 HD2 PHE 92 1HD PHE 92 2.432 -2.419 4.860 660 HE1 PHE 92 2HE PHE 92 3.951 1.856 2.968 661 HE2 PHE 92 1HE PHE 92 0.785 -0.758 4.094 662 HZ PHE 92 HZ PHE 92 1.546 1.381 3.148 663 H ARG 93 H ARG 93 5.776 -3.426 8.188 664 HA ARG 93 HA ARG 93 8.199 -4.853 7.355 665 HB2 ARG 93 2HB ARG 93 6.860 -4.770 10.052 666 HB3 ARG 93 1HB ARG 93 8.182 -5.843 9.651 667 HG2 ARG 93 2HG ARG 93 9.545 -3.792 9.165 668 HG3 ARG 93 1HG ARG 93 8.226 -2.854 9.881 669 HD2 ARG 93 2HD ARG 93 9.867 -3.306 11.588 670 HD3 ARG 93 1HD ARG 93 8.410 -4.247 11.925 671 HE ARG 93 HE ARG 93 10.835 -5.368 10.668 672 HH11 ARG 93 1HH1 ARG 93 7.988 -5.887 12.863 673 HH12 ARG 93 2HH1 ARG 93 8.649 -7.321 13.454 674 HH21 ARG 93 1HH2 ARG 93 11.595 -7.377 11.551 675 HH22 ARG 93 2HH2 ARG 93 10.678 -8.186 12.746 676 H ILE 94 H ILE 94 7.921 -6.669 6.430 677 HA ILE 94 HA ILE 94 5.486 -8.217 6.985 678 HB ILE 94 HB ILE 94 7.448 -8.438 4.652 679 HG12 ILE 94 2HG1 ILE 94 5.411 -7.764 3.229 680 HG13 ILE 94 1HG1 ILE 94 4.664 -7.237 4.725 681 HG21 ILE 94 1HG2 ILE 94 6.521 -10.573 5.201 682 HG22 ILE 94 2HG2 ILE 94 5.851 -10.019 3.666 683 HG23 ILE 94 3HG2 ILE 94 4.884 -9.926 5.138 684 HD11 ILE 94 3HD1 ILE 94 6.519 -5.639 5.042 685 HD12 ILE 94 1HD1 ILE 94 5.602 -5.349 3.562 686 HD13 ILE 94 2HD1 ILE 94 7.178 -6.136 3.486 687 H ASN 95 H ASN 95 5.939 -9.678 8.461 688 HA ASN 95 HA ASN 95 8.597 -10.899 8.400 689 HB2 ASN 95 2HB ASN 95 8.708 -9.100 10.046 690 HB3 ASN 95 1HB ASN 95 7.278 -9.729 10.853 691 HD21 ASN 95 1HD2 ASN 95 10.672 -10.223 10.248 692 HD22 ASN 95 2HD2 ASN 95 10.925 -11.369 11.490 693 H GLU 96 H GLU 96 8.348 -12.917 8.205 694 HA GLU 96 HA GLU 96 7.564 -15.022 8.222 695 HB2 GLU 96 2HB GLU 96 6.691 -14.366 11.043 696 HB3 GLU 96 1HB GLU 96 7.077 -15.956 10.397 697 HG2 GLU 96 2HG GLU 96 9.410 -15.023 9.934 698 HG3 GLU 96 1HG GLU 96 8.935 -13.676 10.954 699 H GLY 97 H GLY 97 5.831 -13.289 7.032 700 HA2 GLY 97 2HA GLY 97 3.811 -13.611 5.984 701 HA3 GLY 97 1HA GLY 97 3.386 -14.811 7.189 702 H GLU 98 H GLU 98 4.285 -12.232 9.020 703 HA GLU 98 HA GLU 98 1.533 -11.249 9.075 704 HB2 GLU 98 2HB GLU 98 3.709 -11.032 11.165 705 HB3 GLU 98 1HB GLU 98 2.074 -10.408 11.334 706 HG2 GLU 98 2HG GLU 98 1.311 -12.800 10.936 707 HG3 GLU 98 1HG GLU 98 2.983 -13.250 11.203 708 H PHE 99 H PHE 99 1.179 -8.941 9.263 709 HA PHE 99 HA PHE 99 3.359 -7.476 7.918 710 HB2 PHE 99 2HB PHE 99 0.431 -6.987 7.401 711 HB3 PHE 99 1HB PHE 99 1.811 -6.503 6.428 712 HD1 PHE 99 2HD PHE 99 3.193 -8.449 5.375 713 HD2 PHE 99 1HD PHE 99 -0.774 -8.874 6.844 714 HE1 PHE 99 2HE PHE 99 2.910 -10.483 4.022 715 HE2 PHE 99 1HE PHE 99 -1.062 -10.914 5.501 716 HZ PHE 99 HZ PHE 99 0.783 -11.718 4.084 717 H GLU 100 H GLU 100 3.997 -5.840 9.187 718 HA GLU 100 HA GLU 100 2.046 -4.504 10.958 719 HB2 GLU 100 2HB GLU 100 5.063 -4.369 11.086 720 HB3 GLU 100 1HB GLU 100 3.931 -3.702 12.239 721 HG2 GLU 100 2HG GLU 100 3.244 -6.009 12.816 722 HG3 GLU 100 1HG GLU 100 4.501 -6.609 11.729 723 H VAL 101 H VAL 101 1.516 -2.445 10.374 724 HA VAL 101 HA VAL 101 3.278 -1.161 8.405 725 HB VAL 101 HB VAL 101 0.357 -0.605 8.988 726 HG11 VAL 101 1HG1 VAL 101 1.527 1.379 8.187 727 HG12 VAL 101 2HG1 VAL 101 0.424 0.772 6.951 728 HG13 VAL 101 3HG1 VAL 101 2.155 0.468 6.812 729 HG21 VAL 101 3HG2 VAL 101 0.617 -2.766 7.941 730 HG22 VAL 101 1HG2 VAL 101 1.641 -2.061 6.692 731 HG23 VAL 101 2HG2 VAL 101 -0.066 -1.621 6.784 732 H VAL 102 H VAL 102 4.409 0.483 9.142 733 HA VAL 102 HA VAL 102 3.407 1.883 11.502 734 HB VAL 102 HB VAL 102 6.313 1.335 10.810 735 HG11 VAL 102 1HG1 VAL 102 6.845 2.367 12.960 736 HG12 VAL 102 2HG1 VAL 102 5.140 2.739 13.212 737 HG13 VAL 102 3HG1 VAL 102 6.025 3.508 11.897 738 HG21 VAL 102 3HG2 VAL 102 5.208 -0.665 11.649 739 HG22 VAL 102 1HG2 VAL 102 4.581 0.236 13.028 740 HG23 VAL 102 2HG2 VAL 102 6.310 -0.029 12.872 741 H ASP 103 H ASP 103 3.190 3.955 11.341 742 HA ASP 103 HA ASP 103 3.944 5.357 8.903 743 HB2 ASP 103 2HB ASP 103 1.767 5.964 9.612 744 HB3 ASP 103 1HB ASP 103 2.258 6.049 11.299 745 H VAL 104 H VAL 104 5.590 6.707 8.792 746 HA VAL 104 HA VAL 104 6.968 7.355 11.285 747 HB VAL 104 HB VAL 104 9.169 7.052 10.153 748 HG11 VAL 104 1HG1 VAL 104 7.436 4.606 10.297 749 HG12 VAL 104 2HG1 VAL 104 8.339 5.336 11.625 750 HG13 VAL 104 3HG1 VAL 104 9.197 4.602 10.270 751 HG21 VAL 104 3HG2 VAL 104 8.427 7.219 7.820 752 HG22 VAL 104 1HG2 VAL 104 7.546 5.703 7.989 753 HG23 VAL 104 2HG2 VAL 104 9.307 5.716 8.097 754 H GLY 105 H GLY 105 5.232 8.701 9.032 755 HA2 GLY 105 2HA GLY 105 6.625 11.171 9.234 756 HA3 GLY 105 1HA GLY 105 6.688 10.479 7.621 757 H SER 106 H SER 106 4.239 10.873 10.146 758 HA SER 106 HA SER 106 2.339 11.461 8.106 759 HB2 SER 106 2HB SER 106 1.634 10.210 10.150 760 HB3 SER 106 1HB SER 106 1.965 11.649 11.111 761 HG SER 106 HG SER 106 0.336 12.738 10.009 762 H LEU 107 H LEU 107 3.690 13.149 7.337 763 HA LEU 107 HA LEU 107 3.028 15.719 8.602 764 HB2 LEU 107 2HB LEU 107 4.924 15.062 6.322 765 HB3 LEU 107 1HB LEU 107 4.517 16.694 6.784 766 HG LEU 107 HG LEU 107 6.672 16.226 7.632 767 HD11 LEU 107 1HD1 LEU 107 4.726 16.073 9.895 768 HD12 LEU 107 2HD1 LEU 107 5.334 17.530 9.109 769 HD13 LEU 107 3HD1 LEU 107 6.429 16.500 10.032 770 HD21 LEU 107 3HD2 LEU 107 7.183 14.380 9.174 771 HD22 LEU 107 1HD2 LEU 107 6.664 13.798 7.590 772 HD23 LEU 107 2HD2 LEU 107 5.547 13.759 8.952 773 H ASN 108 H ASN 108 2.332 13.535 6.144 774 HA ASN 108 HA ASN 108 0.775 15.467 4.656 775 HB2 ASN 108 2HB ASN 108 1.727 12.705 3.861 776 HB3 ASN 108 1HB ASN 108 0.625 13.664 2.885 777 HD21 ASN 108 1HD2 ASN 108 2.117 13.779 1.118 778 HD22 ASN 108 2HD2 ASN 108 3.510 14.749 1.233 779 H GLY 109 H GLY 109 0.302 13.570 7.179 780 HA2 GLY 109 2HA GLY 109 -1.706 13.088 8.230 781 HA3 GLY 109 1HA GLY 109 -2.541 13.454 6.729 782 H THR 110 H THR 110 -0.505 10.977 8.289 783 HA THR 110 HA THR 110 -1.522 8.943 6.511 784 HB THR 110 HB THR 110 0.004 8.531 9.076 785 HG1 THR 110 1HG THR 110 1.871 8.892 7.953 786 HG21 THR 110 3HG2 THR 110 -0.839 6.536 7.910 787 HG22 THR 110 1HG2 THR 110 0.921 6.616 7.820 788 HG23 THR 110 2HG2 THR 110 -0.053 7.067 6.425 789 H TYR 111 H TYR 111 -3.380 7.817 6.957 790 HA TYR 111 HA TYR 111 -4.212 7.544 9.747 791 HB2 TYR 111 2HB TYR 111 -6.001 8.214 7.408 792 HB3 TYR 111 1HB TYR 111 -6.562 7.764 9.013 793 HD1 TYR 111 1HD TYR 111 -6.192 9.322 10.908 794 HD2 TYR 111 2HD TYR 111 -5.288 10.414 6.911 795 HE1 TYR 111 1HE TYR 111 -6.184 11.688 11.564 796 HE2 TYR 111 2HE TYR 111 -5.273 12.780 7.546 797 HH TYR 111 HH TYR 111 -6.205 14.178 9.259 798 H VAL 112 H VAL 112 -5.007 5.577 10.249 799 HA VAL 112 HA VAL 112 -5.165 3.585 8.081 800 HB VAL 112 HB VAL 112 -4.585 3.131 11.050 801 HG11 VAL 112 1HG1 VAL 112 -4.163 0.789 10.416 802 HG12 VAL 112 2HG1 VAL 112 -4.672 1.158 8.768 803 HG13 VAL 112 3HG1 VAL 112 -5.827 1.275 10.092 804 HG21 VAL 112 3HG2 VAL 112 -2.342 2.435 10.336 805 HG22 VAL 112 1HG2 VAL 112 -2.666 4.113 9.900 806 HG23 VAL 112 2HG2 VAL 112 -2.744 2.849 8.669 807 H ASN 113 H ASN 113 -7.197 2.928 7.713 808 HA ASN 113 HA ASN 113 -9.508 2.885 7.788 809 HB2 ASN 113 2HB ASN 113 -9.030 2.564 10.790 810 HB3 ASN 113 1HB ASN 113 -10.590 2.379 10.018 811 HD21 ASN 113 1HD2 ASN 113 -7.601 1.141 8.620 812 HD22 ASN 113 2HD2 ASN 113 -7.949 -0.502 8.900 813 H ARG 114 H ARG 114 -8.164 5.297 7.812 814 HA ARG 114 HA ARG 114 -8.360 7.505 7.968 815 HB2 ARG 114 2HB ARG 114 -11.265 6.899 8.516 816 HB3 ARG 114 1HB ARG 114 -10.632 8.487 8.080 817 HG2 ARG 114 2HG ARG 114 -9.836 7.616 5.958 818 HG3 ARG 114 1HG ARG 114 -10.403 6.007 6.391 819 HD2 ARG 114 2HD ARG 114 -12.072 8.468 5.905 820 HD3 ARG 114 1HD ARG 114 -11.982 7.018 4.903 821 HE ARG 114 HE ARG 114 -13.442 7.431 7.316 822 HH11 ARG 114 1HH1 ARG 114 -12.112 4.884 5.132 823 HH12 ARG 114 2HH1 ARG 114 -13.199 3.722 5.596 824 HH21 ARG 114 1HH2 ARG 114 -14.982 5.760 7.925 825 HH22 ARG 114 2HH2 ARG 114 -14.816 4.178 7.317 826 H GLU 115 H GLU 115 -8.032 5.822 10.484 827 HA GLU 115 HA GLU 115 -8.490 7.893 12.498 828 HB2 GLU 115 2HB GLU 115 -8.064 4.919 12.571 829 HB3 GLU 115 1HB GLU 115 -7.785 5.900 13.999 830 HG2 GLU 115 2HG GLU 115 -10.381 6.020 12.523 831 HG3 GLU 115 1HG GLU 115 -10.059 4.759 13.715 832 HA PRO 116 HA PRO 116 -4.095 8.658 12.334 833 HB2 PRO 116 2HB PRO 116 -3.725 9.659 14.860 834 HB3 PRO 116 1HB PRO 116 -4.421 10.611 13.546 835 HG2 PRO 116 2HG PRO 116 -5.791 9.205 15.793 836 HG3 PRO 116 1HG PRO 116 -6.165 10.773 15.059 837 HD2 PRO 116 2HD PRO 116 -7.562 8.506 14.512 838 HD3 PRO 116 1HD PRO 116 -7.357 9.820 13.341 839 H ARG 117 H ARG 117 -2.574 7.095 12.538 840 HA ARG 117 HA ARG 117 -2.483 5.533 14.986 841 HB2 ARG 117 2HB ARG 117 -4.055 4.493 13.204 842 HB3 ARG 117 1HB ARG 117 -2.589 4.180 12.292 843 HG2 ARG 117 2HG ARG 117 -3.140 2.196 13.453 844 HG3 ARG 117 1HG ARG 117 -1.749 2.901 14.285 845 HD2 ARG 117 2HD ARG 117 -3.346 2.154 15.929 846 HD3 ARG 117 1HD ARG 117 -3.314 3.914 15.922 847 HE ARG 117 HE ARG 117 -5.382 2.440 14.436 848 HH11 ARG 117 1HH1 ARG 117 -4.578 4.941 16.818 849 HH12 ARG 117 2HH1 ARG 117 -6.196 5.303 17.181 850 HH21 ARG 117 1HH2 ARG 117 -7.585 2.953 14.951 851 HH22 ARG 117 2HH2 ARG 117 -7.943 4.152 16.099 852 H ASN 118 H ASN 118 -0.390 4.893 15.381 853 HA ASN 118 HA ASN 118 1.618 5.844 13.483 854 HB2 ASN 118 2HB ASN 118 1.870 4.985 16.369 855 HB3 ASN 118 1HB ASN 118 3.240 5.419 15.359 856 HD21 ASN 118 1HD2 ASN 118 3.606 7.575 14.864 857 HD22 ASN 118 2HD2 ASN 118 2.769 8.846 15.663 858 H ALA 119 H ALA 119 0.629 2.911 15.204 859 HA ALA 119 HA ALA 119 2.005 1.376 13.154 860 HB1 ALA 119 1HB ALA 119 2.878 -0.175 14.852 861 HB2 ALA 119 2HB ALA 119 2.265 0.879 16.127 862 HB3 ALA 119 3HB ALA 119 3.551 1.440 15.059 863 H GLN 120 H GLN 120 0.824 -0.362 12.521 864 HA GLN 120 HA GLN 120 -1.316 -1.352 14.218 865 HB2 GLN 120 2HB GLN 120 -1.950 0.677 12.514 866 HB3 GLN 120 1HB GLN 120 -2.154 -0.692 11.441 867 HG2 GLN 120 2HG GLN 120 -3.594 -0.238 14.057 868 HG3 GLN 120 1HG GLN 120 -4.275 -0.075 12.448 869 HE21 GLN 120 1HE2 GLN 120 -4.797 -1.915 11.312 870 HE22 GLN 120 2HE2 GLN 120 -4.825 -3.480 12.036 871 H VAL 121 H VAL 121 -1.736 -3.517 13.728 872 HA VAL 121 HA VAL 121 -0.049 -4.801 11.727 873 HB VAL 121 HB VAL 121 -2.092 -6.051 13.605 874 HG11 VAL 121 1HG1 VAL 121 -1.560 -7.474 11.723 875 HG12 VAL 121 2HG1 VAL 121 -0.847 -8.138 13.195 876 HG13 VAL 121 3HG1 VAL 121 0.165 -7.288 12.032 877 HG21 VAL 121 3HG2 VAL 121 -0.375 -4.925 14.902 878 HG22 VAL 121 1HG2 VAL 121 0.885 -5.760 13.991 879 HG23 VAL 121 2HG2 VAL 121 -0.210 -6.675 15.029 880 H MET 122 H MET 122 -0.818 -5.081 9.734 881 HA MET 122 HA MET 122 -3.562 -4.190 9.401 882 HB2 MET 122 2HB MET 122 -1.753 -2.883 8.397 883 HB3 MET 122 1HB MET 122 -1.358 -4.242 7.366 884 HG2 MET 122 2HG MET 122 -3.324 -4.025 6.128 885 HG3 MET 122 1HG MET 122 -4.074 -2.994 7.349 886 HE1 MET 122 3HE MET 122 -3.645 -0.469 7.648 887 HE2 MET 122 1HE MET 122 -2.260 0.378 6.963 888 HE3 MET 122 2HE MET 122 -2.008 -0.894 8.149 889 H GLN 123 H GLN 123 -4.974 -5.037 7.880 890 HA GLN 123 HA GLN 123 -4.705 -7.926 7.481 891 HB2 GLN 123 2HB GLN 123 -7.042 -6.339 8.506 892 HB3 GLN 123 1HB GLN 123 -7.105 -8.038 8.072 893 HG2 GLN 123 2HG GLN 123 -5.614 -8.626 9.828 894 HG3 GLN 123 1HG GLN 123 -5.275 -6.931 10.183 895 HE21 GLN 123 1HE2 GLN 123 -5.925 -7.245 12.310 896 HE22 GLN 123 2HE2 GLN 123 -7.600 -7.366 12.731 897 H THR 124 H THR 124 -6.058 -8.768 5.779 898 HA THR 124 HA THR 124 -6.158 -7.404 3.390 899 HB THR 124 HB THR 124 -8.011 -9.629 4.262 900 HG1 THR 124 1HG THR 124 -6.287 -11.025 3.864 901 HG21 THR 124 3HG2 THR 124 -7.756 -10.368 1.934 902 HG22 THR 124 1HG2 THR 124 -6.693 -9.005 1.607 903 HG23 THR 124 2HG2 THR 124 -8.390 -8.724 1.995 904 H GLY 125 H GLY 125 -7.479 -5.780 2.762 905 HA2 GLY 125 2HA GLY 125 -9.640 -4.957 2.218 906 HA3 GLY 125 1HA GLY 125 -10.271 -5.741 3.663 907 H ASP 126 H ASP 126 -7.553 -4.545 4.796 908 HA ASP 126 HA ASP 126 -8.818 -2.354 6.126 909 HB2 ASP 126 2HB ASP 126 -6.991 -3.867 7.082 910 HB3 ASP 126 1HB ASP 126 -5.863 -2.984 6.063 911 H GLU 127 H GLU 127 -8.088 -0.120 6.004 912 HA GLU 127 HA GLU 127 -7.031 0.485 3.358 913 HB2 GLU 127 2HB GLU 127 -8.592 2.322 3.098 914 HB3 GLU 127 1HB GLU 127 -9.431 0.787 3.257 915 HG2 GLU 127 2HG GLU 127 -10.030 1.310 5.538 916 HG3 GLU 127 1HG GLU 127 -9.080 2.790 5.475 917 H ILE 128 H ILE 128 -5.677 2.059 3.191 918 HA ILE 128 HA ILE 128 -4.907 3.510 5.625 919 HB ILE 128 HB ILE 128 -3.255 3.288 3.079 920 HG12 ILE 128 2HG1 ILE 128 -1.759 1.697 4.514 921 HG13 ILE 128 1HG1 ILE 128 -3.217 1.448 5.464 922 HG21 ILE 128 1HG2 ILE 128 -2.493 4.066 5.883 923 HG22 ILE 128 2HG2 ILE 128 -2.711 5.147 4.512 924 HG23 ILE 128 3HG2 ILE 128 -1.393 3.973 4.508 925 HD11 ILE 128 3HD1 ILE 128 -4.361 0.573 3.498 926 HD12 ILE 128 1HD1 ILE 128 -2.882 -0.329 3.834 927 HD13 ILE 128 2HD1 ILE 128 -2.916 0.854 2.525 928 H GLN 129 H GLN 129 -5.350 5.620 5.563 929 HA GLN 129 HA GLN 129 -6.036 6.766 2.971 930 HB2 GLN 129 2HB GLN 129 -7.889 6.644 4.751 931 HB3 GLN 129 1HB GLN 129 -6.951 7.783 5.689 932 HG2 GLN 129 2HG GLN 129 -7.915 8.401 2.900 933 HG3 GLN 129 1HG GLN 129 -8.893 8.710 4.322 934 HE21 GLN 129 1HE2 GLN 129 -7.808 10.572 2.314 935 HE22 GLN 129 2HE2 GLN 129 -6.839 11.669 3.232 936 H ILE 130 H ILE 130 -4.851 8.346 2.320 937 HA ILE 130 HA ILE 130 -2.859 9.574 4.052 938 HB ILE 130 HB ILE 130 -2.360 8.502 1.226 939 HG12 ILE 130 2HG1 ILE 130 -1.243 7.458 3.838 940 HG13 ILE 130 1HG1 ILE 130 -2.520 6.696 2.910 941 HG21 ILE 130 1HG2 ILE 130 -0.031 9.133 1.595 942 HG22 ILE 130 2HG2 ILE 130 -0.460 9.796 3.170 943 HG23 ILE 130 3HG2 ILE 130 -1.106 10.529 1.702 944 HD11 ILE 130 3HD1 ILE 130 0.311 7.117 1.973 945 HD12 ILE 130 1HD1 ILE 130 -0.979 6.353 1.046 946 HD13 ILE 130 2HD1 ILE 130 -0.394 5.596 2.526 947 H GLY 131 H GLY 131 -2.704 11.750 3.518 948 HA2 GLY 131 2HA GLY 131 -4.808 13.193 2.646 949 HA3 GLY 131 1HA GLY 131 -3.169 13.750 2.406 950 H LYS 132 H LYS 132 -6.045 12.567 0.956 951 HA LYS 132 HA LYS 132 -6.947 12.720 -1.079 952 HB2 LYS 132 2HB LYS 132 -4.328 13.940 -1.978 953 HB3 LYS 132 1HB LYS 132 -5.776 13.832 -2.973 954 HG2 LYS 132 2HG LYS 132 -6.994 15.215 -1.361 955 HG3 LYS 132 1HG LYS 132 -5.553 15.315 -0.359 956 HD2 LYS 132 2HD LYS 132 -5.773 17.340 -1.654 957 HD3 LYS 132 1HD LYS 132 -4.380 16.421 -2.224 958 HE2 LYS 132 2HE LYS 132 -5.619 15.611 -4.112 959 HE3 LYS 132 1HE LYS 132 -7.099 16.359 -3.509 960 HZ1 LYS 132 3HZ LYS 132 -6.142 18.489 -3.798 961 HZ2 LYS 132 1HZ LYS 132 -6.033 17.676 -5.256 962 HZ3 LYS 132 2HZ LYS 132 -4.658 17.881 -4.285 963 H PHE 133 H PHE 133 -5.104 10.593 -0.117 964 HA PHE 133 HA PHE 133 -4.997 8.947 -2.564 965 HB2 PHE 133 2HB PHE 133 -3.303 9.151 -0.160 966 HB3 PHE 133 1HB PHE 133 -3.337 7.625 -1.044 967 HD1 PHE 133 2HD PHE 133 -2.248 11.116 -0.959 968 HD2 PHE 133 1HD PHE 133 -2.195 7.477 -3.157 969 HE1 PHE 133 2HE PHE 133 -0.377 11.960 -2.312 970 HE2 PHE 133 1HE PHE 133 -0.325 8.308 -4.502 971 HZ PHE 133 HZ PHE 133 0.586 10.536 -4.086 972 H ARG 134 H ARG 134 -5.714 6.834 -2.270 973 HA ARG 134 HA ARG 134 -6.757 6.023 0.357 974 HB2 ARG 134 2HB ARG 134 -8.251 5.577 -2.259 975 HB3 ARG 134 1HB ARG 134 -8.775 5.060 -0.669 976 HG2 ARG 134 2HG ARG 134 -8.543 7.925 -1.593 977 HG3 ARG 134 1HG ARG 134 -10.034 6.989 -1.501 978 HD2 ARG 134 2HD ARG 134 -8.244 7.642 0.829 979 HD3 ARG 134 1HD ARG 134 -9.671 8.567 0.393 980 HE ARG 134 HE ARG 134 -9.669 5.772 1.325 981 HH11 ARG 134 1HH1 ARG 134 -11.402 8.824 0.820 982 HH12 ARG 134 2HH1 ARG 134 -12.673 8.434 1.881 983 HH21 ARG 134 1HH2 ARG 134 -11.431 5.269 2.847 984 HH22 ARG 134 2HH2 ARG 134 -12.702 6.414 3.010 985 H LEU 135 H LEU 135 -5.729 4.118 0.804 986 HA LEU 135 HA LEU 135 -4.983 2.428 -1.479 987 HB2 LEU 135 2HB LEU 135 -3.381 3.002 1.019 988 HB3 LEU 135 1HB LEU 135 -3.048 1.643 -0.021 989 HG LEU 135 HG LEU 135 -2.555 3.290 -1.870 990 HD11 LEU 135 1HD1 LEU 135 -3.737 5.229 -1.065 991 HD12 LEU 135 2HD1 LEU 135 -2.018 5.596 -1.243 992 HD13 LEU 135 3HD1 LEU 135 -2.702 5.304 0.358 993 HD21 LEU 135 3HD2 LEU 135 -0.345 3.865 -1.016 994 HD22 LEU 135 1HD2 LEU 135 -0.790 2.212 -0.602 995 HD23 LEU 135 2HD2 LEU 135 -0.875 3.477 0.620 996 H VAL 136 H VAL 136 -5.442 0.302 -1.303 997 HA VAL 136 HA VAL 136 -6.725 -0.536 1.203 998 HB VAL 136 HB VAL 136 -7.281 -1.571 -1.608 999 HG11 VAL 136 1HG1 VAL 136 -9.141 -2.807 -0.588 1000 HG12 VAL 136 2HG1 VAL 136 -8.638 -2.242 1.007 1001 HG13 VAL 136 3HG1 VAL 136 -7.587 -3.310 0.079 1002 HG21 VAL 136 3HG2 VAL 136 -9.490 -0.512 -1.360 1003 HG22 VAL 136 1HG2 VAL 136 -8.183 0.673 -1.312 1004 HG23 VAL 136 2HG2 VAL 136 -8.981 0.170 0.180 1005 H PHE 137 H PHE 137 -5.871 -2.229 2.191 1006 HA PHE 137 HA PHE 137 -3.472 -3.416 1.027 1007 HB2 PHE 137 2HB PHE 137 -3.395 -2.381 3.264 1008 HB3 PHE 137 1HB PHE 137 -4.604 -3.525 3.820 1009 HD1 PHE 137 2HD PHE 137 -1.118 -3.045 2.861 1010 HD2 PHE 137 1HD PHE 137 -3.998 -5.826 4.299 1011 HE1 PHE 137 2HE PHE 137 0.687 -4.557 3.556 1012 HE2 PHE 137 1HE PHE 137 -2.199 -7.336 4.999 1013 HZ PHE 137 HZ PHE 137 0.146 -6.704 4.624 1014 H LEU 138 H LEU 138 -3.430 -5.504 0.359 1015 HA LEU 138 HA LEU 138 -5.560 -7.289 1.263 1016 HB2 LEU 138 2HB LEU 138 -4.409 -7.084 -1.522 1017 HB3 LEU 138 1HB LEU 138 -5.547 -8.300 -0.986 1018 HG LEU 138 HG LEU 138 -6.126 -5.349 -1.099 1019 HD11 LEU 138 1HD1 LEU 138 -7.482 -5.890 -3.077 1020 HD12 LEU 138 2HD1 LEU 138 -6.918 -7.560 -3.000 1021 HD13 LEU 138 3HD1 LEU 138 -5.777 -6.258 -3.339 1022 HD21 LEU 138 3HD2 LEU 138 -7.498 -6.515 0.539 1023 HD22 LEU 138 1HD2 LEU 138 -7.941 -7.727 -0.667 1024 HD23 LEU 138 2HD2 LEU 138 -8.472 -6.059 -0.857 1025 H ALA 139 H ALA 139 -4.786 -9.258 1.881 1026 HA ALA 139 HA ALA 139 -1.936 -9.644 1.907 1027 HB1 ALA 139 1HB ALA 139 -4.151 -11.542 2.717 1028 HB2 ALA 139 2HB ALA 139 -3.290 -10.444 3.799 1029 HB3 ALA 139 3HB ALA 139 -2.431 -11.778 3.030 1030 H GLY 140 H GLY 140 -0.844 -11.410 0.870 1031 HA2 GLY 140 2HA GLY 140 -1.504 -11.729 -1.815 1032 HA3 GLY 140 1HA GLY 140 -0.332 -12.699 -0.930 1033 HA PRO 141 HA PRO 141 -4.833 -14.583 -1.590 1034 HB2 PRO 141 2HB PRO 141 -4.528 -15.715 -4.092 1035 HB3 PRO 141 1HB PRO 141 -5.359 -14.195 -3.764 1036 HG2 PRO 141 2HG PRO 141 -2.558 -14.656 -4.700 1037 HG3 PRO 141 1HG PRO 141 -3.731 -13.431 -5.227 1038 HD2 PRO 141 2HD PRO 141 -1.746 -12.826 -3.559 1039 HD3 PRO 141 1HD PRO 141 -3.357 -12.097 -3.360 1040 H ALA 142 H ALA 142 -5.334 -16.812 -1.682 1041 HA ALA 142 HA ALA 142 -3.286 -18.440 -0.500 1042 HB1 ALA 142 1HB ALA 142 -5.529 -18.325 0.466 1043 HB2 ALA 142 2HB ALA 142 -5.140 -19.974 -0.030 1044 HB3 ALA 142 3HB ALA 142 -6.206 -18.980 -1.023 1045 H GLU 143 H GLU 143 -2.561 -17.991 -3.013 1046 HA GLU 143 HA GLU 143 -3.253 -20.061 -4.805 1047 HB2 GLU 143 2HB GLU 143 -1.001 -18.059 -4.679 1048 HB3 GLU 143 1HB GLU 143 -1.327 -19.130 -6.028 1049 HG2 GLU 143 2HG GLU 143 -3.259 -17.065 -5.005 1050 HG3 GLU 143 1HG GLU 143 -2.135 -16.785 -6.330 Start of MODEL 28 1 H1 MET 1 1HT MET 1 35.124 -6.027 -5.660 2 H2 MET 1 2HT MET 1 36.296 -4.928 -6.126 3 H3 MET 1 3HT MET 1 34.715 -4.407 -5.750 4 HA MET 1 HA MET 1 36.574 -5.684 -3.866 5 HB2 MET 1 2HB MET 1 35.643 -2.807 -4.014 6 HB3 MET 1 1HB MET 1 36.630 -3.494 -2.735 7 HG2 MET 1 2HG MET 1 37.413 -3.120 -5.619 8 HG3 MET 1 1HG MET 1 38.016 -2.232 -4.223 9 HE1 MET 1 2HE MET 1 41.111 -4.335 -5.391 10 HE2 MET 1 3HE MET 1 40.500 -2.716 -5.047 11 HE3 MET 1 1HE MET 1 39.870 -3.623 -6.420 12 H SER 2 H SER 2 35.718 -5.338 -1.627 13 HA SER 2 HA SER 2 33.062 -6.300 -1.520 14 HB2 SER 2 2HB SER 2 34.864 -5.323 0.706 15 HB3 SER 2 1HB SER 2 33.430 -6.333 0.891 16 HG SER 2 HG SER 2 35.141 -7.361 -0.931 17 H ASP 3 H ASP 3 31.538 -4.864 -2.143 18 HA ASP 3 HA ASP 3 31.579 -2.163 -1.025 19 HB2 ASP 3 2HB ASP 3 29.933 -3.372 -3.255 20 HB3 ASP 3 1HB ASP 3 29.529 -1.821 -2.542 21 H ASN 4 H ASN 4 29.877 -1.349 0.130 22 HA ASN 4 HA ASN 4 28.402 -3.332 1.648 23 HB2 ASN 4 2HB ASN 4 29.487 -1.527 2.889 24 HB3 ASN 4 1HB ASN 4 28.630 -0.332 1.933 25 HD21 ASN 4 1HD2 ASN 4 28.356 -2.652 4.506 26 HD22 ASN 4 2HD2 ASN 4 26.840 -2.134 5.098 27 H ASN 5 H ASN 5 26.753 -4.064 0.443 28 HA ASN 5 HA ASN 5 25.010 -2.089 -0.800 29 HB2 ASN 5 2HB ASN 5 25.290 -5.057 -1.255 30 HB3 ASN 5 1HB ASN 5 23.935 -4.132 -1.886 31 HD21 ASN 5 1HD2 ASN 5 24.291 -2.674 -3.561 32 HD22 ASN 5 2HD2 ASN 5 25.716 -2.678 -4.509 33 H GLY 6 H GLY 6 23.009 -1.762 -0.131 34 HA2 GLY 6 2HA GLY 6 20.979 -2.904 0.737 35 HA3 GLY 6 1HA GLY 6 22.026 -3.530 2.001 36 H THR 7 H THR 7 23.353 -0.731 1.875 37 HA THR 7 HA THR 7 21.545 0.323 3.915 38 HB THR 7 HB THR 7 24.382 1.184 3.321 39 HG1 THR 7 1HG THR 7 24.965 -0.583 4.160 40 HG21 THR 7 3HG2 THR 7 23.038 2.740 4.687 41 HG22 THR 7 1HG2 THR 7 24.316 1.995 5.646 42 HG23 THR 7 2HG2 THR 7 22.655 1.428 5.802 43 HA PRO 8 HA PRO 8 20.732 3.522 0.770 44 HB2 PRO 8 2HB PRO 8 18.413 4.288 2.273 45 HB3 PRO 8 1HB PRO 8 18.454 3.422 0.740 46 HG2 PRO 8 2HG PRO 8 17.606 2.341 3.152 47 HG3 PRO 8 1HG PRO 8 18.131 1.404 1.746 48 HD2 PRO 8 2HD PRO 8 19.624 2.086 4.237 49 HD3 PRO 8 1HD PRO 8 19.681 0.616 3.234 50 H GLU 9 H GLU 9 20.977 5.776 0.910 51 HA GLU 9 HA GLU 9 22.255 6.657 3.336 52 HB2 GLU 9 2HB GLU 9 22.676 8.753 2.062 53 HB3 GLU 9 1HB GLU 9 23.207 7.334 1.175 54 HG2 GLU 9 2HG GLU 9 21.165 7.424 -0.173 55 HG3 GLU 9 1HG GLU 9 20.652 8.860 0.710 56 HA PRO 10 HA PRO 10 18.436 8.167 5.009 57 HB2 PRO 10 2HB PRO 10 19.456 9.935 6.838 58 HB3 PRO 10 1HB PRO 10 19.391 8.189 7.098 59 HG2 PRO 10 2HG PRO 10 21.685 9.887 6.213 60 HG3 PRO 10 1HG PRO 10 21.675 8.514 7.332 61 HD2 PRO 10 2HD PRO 10 22.515 8.301 4.783 62 HD3 PRO 10 1HD PRO 10 21.711 6.967 5.636 63 H GLN 11 H GLN 11 17.057 9.781 4.446 64 HA GLN 11 HA GLN 11 18.273 12.140 3.192 65 HB2 GLN 11 2HB GLN 11 16.257 12.348 1.806 66 HB3 GLN 11 1HB GLN 11 17.009 10.783 1.579 67 HG2 GLN 11 2HG GLN 11 15.334 9.783 3.082 68 HG3 GLN 11 1HG GLN 11 14.597 11.372 3.264 69 HE21 GLN 11 1HE2 GLN 11 15.050 8.663 1.182 70 HE22 GLN 11 2HE2 GLN 11 13.822 9.053 0.033 71 H VAL 12 H VAL 12 17.594 14.155 3.781 72 HA VAL 12 HA VAL 12 15.543 14.286 5.866 73 HB VAL 12 HB VAL 12 17.973 16.104 5.629 74 HG11 VAL 12 1HG1 VAL 12 17.192 17.043 7.780 75 HG12 VAL 12 2HG1 VAL 12 15.751 16.032 7.678 76 HG13 VAL 12 3HG1 VAL 12 16.028 17.294 6.479 77 HG21 VAL 12 3HG2 VAL 12 18.536 13.870 6.480 78 HG22 VAL 12 1HG2 VAL 12 17.315 14.043 7.735 79 HG23 VAL 12 2HG2 VAL 12 18.725 15.105 7.726 80 H GLU 13 H GLU 13 13.855 15.468 5.367 81 HA GLU 13 HA GLU 13 14.029 17.635 3.500 82 HB2 GLU 13 2HB GLU 13 13.634 15.602 2.098 83 HB3 GLU 13 1HB GLU 13 12.222 15.230 3.071 84 HG2 GLU 13 2HG GLU 13 11.587 16.239 0.970 85 HG3 GLU 13 1HG GLU 13 11.152 17.283 2.320 86 H THR 14 H THR 14 12.199 18.972 3.808 87 HA THR 14 HA THR 14 11.089 18.652 6.472 88 HB THR 14 HB THR 14 10.897 21.016 4.586 89 HG1 THR 14 1HG THR 14 13.028 20.487 5.133 90 HG21 THR 14 3HG2 THR 14 10.393 22.287 6.638 91 HG22 THR 14 1HG2 THR 14 10.493 20.803 7.590 92 HG23 THR 14 2HG2 THR 14 9.209 21.005 6.399 93 H TPO 15 H TPO 15 9.054 18.079 6.848 94 HA TPO 15 HA TPO 15 7.179 17.865 4.607 95 HB TPO 15 HB TPO 15 6.998 16.545 7.347 96 HG21 TPO 15 1HG2 TPO 15 5.558 15.977 4.753 97 HG22 TPO 15 2HG2 TPO 15 4.861 16.778 6.159 98 HG23 TPO 15 3HG2 TPO 15 5.354 15.087 6.262 99 H SER 16 H SER 16 5.235 18.964 4.790 100 HA SER 16 HA SER 16 5.174 20.956 6.867 101 HB2 SER 16 2HB SER 16 4.703 21.546 4.472 102 HB3 SER 16 1HB SER 16 3.269 20.527 4.547 103 HG SER 16 HG SER 16 3.696 22.609 6.381 104 H VAL 17 H VAL 17 3.663 21.022 8.449 105 HA VAL 17 HA VAL 17 2.319 18.553 9.093 106 HB VAL 17 HB VAL 17 2.333 21.170 10.610 107 HG11 VAL 17 1HG1 VAL 17 1.782 19.782 12.568 108 HG12 VAL 17 2HG1 VAL 17 1.657 18.373 11.511 109 HG13 VAL 17 3HG1 VAL 17 0.546 19.725 11.314 110 HG21 VAL 17 3HG2 VAL 17 4.215 18.819 10.869 111 HG22 VAL 17 1HG2 VAL 17 4.110 20.161 12.015 112 HG23 VAL 17 2HG2 VAL 17 4.615 20.457 10.357 113 H PHE 18 H PHE 18 0.359 18.188 8.342 114 HA PHE 18 HA PHE 18 -1.316 20.385 7.532 115 HB2 PHE 18 2HB PHE 18 -1.722 17.401 7.358 116 HB3 PHE 18 1HB PHE 18 -2.890 18.591 6.806 117 HD1 PHE 18 1HD PHE 18 -2.432 19.959 4.853 118 HD2 PHE 18 2HD PHE 18 0.275 16.981 6.176 119 HE1 PHE 18 1HE PHE 18 -1.290 20.050 2.684 120 HE2 PHE 18 2HE PHE 18 1.434 17.053 4.000 121 HZ PHE 18 HZ PHE 18 0.645 18.594 2.259 122 H ARG 19 H ARG 19 -3.090 21.033 8.474 123 HA ARG 19 HA ARG 19 -3.742 20.078 11.126 124 HB2 ARG 19 2HB ARG 19 -3.775 22.534 10.371 125 HB3 ARG 19 1HB ARG 19 -5.152 22.128 9.375 126 HG2 ARG 19 2HG ARG 19 -5.110 21.874 12.385 127 HG3 ARG 19 1HG ARG 19 -5.695 23.290 11.526 128 HD2 ARG 19 2HD ARG 19 -7.388 21.798 10.422 129 HD3 ARG 19 1HD ARG 19 -6.838 20.494 11.473 130 HE ARG 19 HE ARG 19 -7.666 22.973 12.710 131 HH11 ARG 19 1HH1 ARG 19 -8.575 19.569 11.983 132 HH12 ARG 19 2HH1 ARG 19 -9.853 19.597 13.082 133 HH21 ARG 19 1HH2 ARG 19 -9.485 22.882 14.220 134 HH22 ARG 19 2HH2 ARG 19 -10.368 21.439 14.353 135 H ALA 20 H ALA 20 -5.119 18.385 11.325 136 HA ALA 20 HA ALA 20 -6.325 17.293 8.989 137 HB1 ALA 20 1HB ALA 20 -5.398 15.857 10.757 138 HB2 ALA 20 2HB ALA 20 -7.086 15.491 10.403 139 HB3 ALA 20 3HB ALA 20 -6.669 16.413 11.849 140 H ASP 21 H ASP 21 -7.652 19.051 8.408 141 HA ASP 21 HA ASP 21 -9.972 19.670 10.016 142 HB2 ASP 21 2HB ASP 21 -10.600 21.147 8.207 143 HB3 ASP 21 1HB ASP 21 -8.871 21.338 8.483 144 H LEU 22 H LEU 22 -9.013 17.530 7.618 145 HA LEU 22 HA LEU 22 -11.418 16.781 6.402 146 HB2 LEU 22 2HB LEU 22 -10.147 14.727 5.711 147 HB3 LEU 22 1HB LEU 22 -9.437 16.263 5.283 148 HG LEU 22 HG LEU 22 -7.916 15.977 7.305 149 HD11 LEU 22 1HD1 LEU 22 -7.500 13.709 8.079 150 HD12 LEU 22 2HD1 LEU 22 -8.885 13.143 7.151 151 HD13 LEU 22 3HD1 LEU 22 -9.123 14.264 8.491 152 HD21 LEU 22 3HD2 LEU 22 -7.695 14.040 5.015 153 HD22 LEU 22 1HD2 LEU 22 -6.378 14.523 6.082 154 HD23 LEU 22 2HD2 LEU 22 -7.142 15.713 5.030 155 H LEU 23 H LEU 23 -10.631 16.333 9.548 156 HA LEU 23 HA LEU 23 -11.555 13.732 10.132 157 HB2 LEU 23 2HB LEU 23 -10.228 15.090 11.683 158 HB3 LEU 23 1HB LEU 23 -11.541 16.236 11.824 159 HG LEU 23 HG LEU 23 -12.926 14.454 12.878 160 HD11 LEU 23 1HD1 LEU 23 -10.358 12.885 12.839 161 HD12 LEU 23 2HD1 LEU 23 -11.838 12.493 11.960 162 HD13 LEU 23 3HD1 LEU 23 -11.819 12.442 13.722 163 HD21 LEU 23 3HD2 LEU 23 -10.298 15.063 14.225 164 HD22 LEU 23 1HD2 LEU 23 -11.764 14.505 15.032 165 HD23 LEU 23 2HD2 LEU 23 -11.738 16.080 14.239 166 H LYS 24 H LYS 24 -13.138 16.757 9.481 167 HA LYS 24 HA LYS 24 -15.679 15.901 10.529 168 HB2 LYS 24 2HB LYS 24 -14.979 18.335 8.892 169 HB3 LYS 24 1HB LYS 24 -16.503 18.045 9.724 170 HG2 LYS 24 2HG LYS 24 -15.292 18.028 11.878 171 HG3 LYS 24 1HG LYS 24 -13.803 18.403 11.014 172 HD2 LYS 24 2HD LYS 24 -14.701 20.435 11.943 173 HD3 LYS 24 1HD LYS 24 -14.873 20.490 10.190 174 HE2 LYS 24 2HE LYS 24 -17.217 19.838 10.389 175 HE3 LYS 24 1HE LYS 24 -17.048 19.727 12.140 176 HZ1 LYS 24 3HZ LYS 24 -18.055 21.793 11.439 177 HZ2 LYS 24 1HZ LYS 24 -16.707 22.197 10.530 178 HZ3 LYS 24 2HZ LYS 24 -16.591 22.088 12.213 179 H GLU 25 H GLU 25 -13.978 15.403 7.720 180 HA GLU 25 HA GLU 25 -16.368 15.058 6.081 181 HB2 GLU 25 2HB GLU 25 -13.445 15.188 5.423 182 HB3 GLU 25 1HB GLU 25 -14.584 14.505 4.279 183 HG2 GLU 25 2HG GLU 25 -14.055 16.841 3.788 184 HG3 GLU 25 1HG GLU 25 -15.760 16.610 4.143 185 H MET 26 H MET 26 -13.621 13.244 7.341 186 HA MET 26 HA MET 26 -14.589 10.814 6.090 187 HB2 MET 26 2HB MET 26 -12.633 9.704 6.970 188 HB3 MET 26 1HB MET 26 -12.159 11.225 6.241 189 HG2 MET 26 2HG MET 26 -12.011 12.233 8.467 190 HG3 MET 26 1HG MET 26 -12.460 10.685 9.185 191 HE1 MET 26 3HE MET 26 -8.711 10.885 10.147 192 HE2 MET 26 1HE MET 26 -10.356 10.610 10.716 193 HE3 MET 26 2HE MET 26 -9.882 12.200 10.111 194 H GLU 27 H GLU 27 -15.490 12.416 8.746 195 HA GLU 27 HA GLU 27 -15.694 10.483 10.762 196 HB2 GLU 27 2HB GLU 27 -15.947 12.844 11.190 197 HB3 GLU 27 1HB GLU 27 -17.383 12.909 10.187 198 HG2 GLU 27 2HG GLU 27 -18.573 11.512 11.758 199 HG3 GLU 27 1HG GLU 27 -17.118 11.362 12.750 200 H SER 28 H SER 28 -17.928 11.361 8.164 201 HA SER 28 HA SER 28 -19.910 9.500 9.059 202 HB2 SER 28 2HB SER 28 -19.701 11.001 6.447 203 HB3 SER 28 1HB SER 28 -21.149 10.200 7.072 204 HG SER 28 HG SER 28 -20.867 11.594 8.966 205 H SER 29 H SER 29 -17.074 9.222 7.263 206 HA SER 29 HA SER 29 -17.904 6.829 5.866 207 HB2 SER 29 2HB SER 29 -16.231 8.403 4.842 208 HB3 SER 29 1HB SER 29 -15.140 8.070 6.180 209 HG SER 29 HG SER 29 -16.079 6.258 4.216 210 H THR 30 H THR 30 -16.534 7.858 8.843 211 HA THR 30 HA THR 30 -15.192 5.520 9.604 212 HB THR 30 HB THR 30 -16.356 7.731 11.318 213 HG1 THR 30 1HG THR 30 -14.707 8.345 9.705 214 HG21 THR 30 3HG2 THR 30 -14.219 5.671 11.947 215 HG22 THR 30 1HG2 THR 30 -15.866 5.668 12.587 216 HG23 THR 30 2HG2 THR 30 -14.762 6.972 13.010 217 H GLY 31 H GLY 31 -16.196 3.678 9.701 218 HA2 GLY 31 2HA GLY 31 -18.199 3.225 11.602 219 HA3 GLY 31 1HA GLY 31 -18.778 3.035 9.934 220 H THR 32 H THR 32 -18.837 0.737 11.139 221 HA THR 32 HA THR 32 -16.298 -0.531 11.266 222 HB THR 32 HB THR 32 -19.010 -1.863 11.156 223 HG1 THR 32 1HG THR 32 -17.787 -0.291 13.086 224 HG21 THR 32 3HG2 THR 32 -17.870 -3.570 12.527 225 HG22 THR 32 1HG2 THR 32 -16.377 -2.647 12.420 226 HG23 THR 32 2HG2 THR 32 -17.075 -3.365 10.966 227 H ALA 33 H ALA 33 -15.211 -1.182 9.559 228 HA ALA 33 HA ALA 33 -16.628 -2.303 7.260 229 HB1 ALA 33 1HB ALA 33 -14.785 -1.453 5.826 230 HB2 ALA 33 2HB ALA 33 -14.096 -0.630 7.226 231 HB3 ALA 33 3HB ALA 33 -15.670 -0.135 6.599 232 HA PRO 34 HA PRO 34 -14.150 -5.430 9.421 233 HB2 PRO 34 2HB PRO 34 -15.790 -7.294 7.846 234 HB3 PRO 34 1HB PRO 34 -15.591 -7.185 9.596 235 HG2 PRO 34 2HG PRO 34 -17.863 -6.443 8.386 236 HG3 PRO 34 1HG PRO 34 -17.250 -5.595 9.816 237 HD2 PRO 34 2HD PRO 34 -17.102 -4.807 6.933 238 HD3 PRO 34 1HD PRO 34 -17.440 -3.811 8.369 239 H ALA 35 H ALA 35 -12.444 -6.540 8.821 240 HA ALA 35 HA ALA 35 -11.596 -6.493 6.064 241 HB1 ALA 35 1HB ALA 35 -9.470 -7.337 6.989 242 HB2 ALA 35 2HB ALA 35 -10.222 -7.471 8.579 243 HB3 ALA 35 3HB ALA 35 -10.010 -5.886 7.834 244 H SER 36 H SER 36 -10.667 -8.581 5.210 245 HA SER 36 HA SER 36 -12.754 -10.530 5.452 246 HB2 SER 36 2HB SER 36 -10.220 -10.623 3.821 247 HB3 SER 36 1HB SER 36 -11.664 -11.615 3.602 248 HG SER 36 HG SER 36 -12.471 -9.117 3.612 249 H THR 37 H THR 37 -12.722 -12.274 6.714 250 HA THR 37 HA THR 37 -10.606 -12.777 8.458 251 HB THR 37 HB THR 37 -11.997 -14.877 8.937 252 HG1 THR 37 1HG THR 37 -13.805 -15.150 7.901 253 HG21 THR 37 3HG2 THR 37 -13.297 -12.159 9.154 254 HG22 THR 37 1HG2 THR 37 -12.153 -12.854 10.302 255 HG23 THR 37 2HG2 THR 37 -13.746 -13.582 10.092 256 H GLY 38 H GLY 38 -9.207 -14.580 8.540 257 HA2 GLY 38 2HA GLY 38 -8.377 -16.563 7.429 258 HA3 GLY 38 1HA GLY 38 -8.740 -15.771 5.890 259 H ALA 39 H ALA 39 -7.999 -13.338 7.639 260 HA ALA 39 HA ALA 39 -5.447 -12.852 6.528 261 HB1 ALA 39 1HB ALA 39 -5.509 -10.787 7.820 262 HB2 ALA 39 2HB ALA 39 -6.857 -11.408 8.765 263 HB3 ALA 39 3HB ALA 39 -7.076 -11.068 7.055 264 H GLU 40 H GLU 40 -6.607 -14.171 9.500 265 HA GLU 40 HA GLU 40 -3.965 -14.127 10.736 266 HB2 GLU 40 2HB GLU 40 -5.140 -14.936 12.746 267 HB3 GLU 40 1HB GLU 40 -5.800 -13.423 12.161 268 HG2 GLU 40 2HG GLU 40 -7.053 -16.077 11.507 269 HG3 GLU 40 1HG GLU 40 -7.432 -15.219 12.988 270 H ASN 41 H ASN 41 -5.428 -15.990 8.567 271 HA ASN 41 HA ASN 41 -4.634 -18.577 9.739 272 HB2 ASN 41 2HB ASN 41 -6.675 -17.968 7.592 273 HB3 ASN 41 1HB ASN 41 -6.200 -19.580 8.090 274 HD21 ASN 41 1HD2 ASN 41 -6.909 -20.361 10.054 275 HD22 ASN 41 2HD2 ASN 41 -8.207 -19.623 10.912 276 H LEU 42 H LEU 42 -3.330 -16.337 7.986 277 HA LEU 42 HA LEU 42 -1.993 -16.058 6.272 278 HB2 LEU 42 2HB LEU 42 -1.841 -19.016 6.438 279 HB3 LEU 42 1HB LEU 42 -1.061 -18.209 5.083 280 HG LEU 42 HG LEU 42 0.612 -18.694 6.681 281 HD11 LEU 42 1HD1 LEU 42 1.476 -16.530 7.358 282 HD12 LEU 42 2HD1 LEU 42 -0.086 -15.794 7.017 283 HD13 LEU 42 3HD1 LEU 42 0.854 -16.512 5.708 284 HD21 LEU 42 3HD2 LEU 42 -0.736 -19.159 8.610 285 HD22 LEU 42 1HD2 LEU 42 -1.150 -17.454 8.775 286 HD23 LEU 42 2HD2 LEU 42 0.510 -17.983 9.035 287 HA PRO 43 HA PRO 43 -5.550 -16.245 3.535 288 HB2 PRO 43 2HB PRO 43 -5.125 -13.819 2.400 289 HB3 PRO 43 1HB PRO 43 -5.857 -14.063 3.995 290 HG2 PRO 43 2HG PRO 43 -3.019 -13.368 3.349 291 HG3 PRO 43 1HG PRO 43 -4.103 -12.608 4.532 292 HD2 PRO 43 2HD PRO 43 -2.263 -14.429 5.207 293 HD3 PRO 43 1HD PRO 43 -3.826 -14.341 6.049 294 H ALA 44 H ALA 44 -2.412 -15.644 2.945 295 HA ALA 44 HA ALA 44 -2.179 -17.182 0.513 296 HB1 ALA 44 1HB ALA 44 -1.893 -14.193 0.193 297 HB2 ALA 44 2HB ALA 44 -3.213 -15.176 -0.441 298 HB3 ALA 44 3HB ALA 44 -1.573 -15.402 -1.054 299 H GLY 45 H GLY 45 -0.834 -14.907 2.760 300 HA2 GLY 45 2HA GLY 45 1.276 -15.116 3.811 301 HA3 GLY 45 1HA GLY 45 1.803 -16.148 2.480 302 H SER 46 H SER 46 0.375 -14.037 0.791 303 HA SER 46 HA SER 46 2.372 -11.943 0.863 304 HB2 SER 46 2HB SER 46 2.977 -13.454 -0.912 305 HB3 SER 46 1HB SER 46 1.344 -13.413 -1.600 306 HG SER 46 HG SER 46 3.283 -12.016 -2.329 307 H ALA 47 H ALA 47 1.544 -10.081 -0.222 308 HA ALA 47 HA ALA 47 -1.317 -9.783 -0.383 309 HB1 ALA 47 1HB ALA 47 -0.958 -9.622 2.030 310 HB2 ALA 47 2HB ALA 47 -1.433 -8.063 1.362 311 HB3 ALA 47 3HB ALA 47 0.255 -8.368 1.776 312 H LEU 48 H LEU 48 -1.863 -7.655 -1.183 313 HA LEU 48 HA LEU 48 0.405 -6.171 -2.135 314 HB2 LEU 48 2HB LEU 48 -0.635 -5.875 -4.372 315 HB3 LEU 48 1HB LEU 48 -0.104 -7.505 -4.056 316 HG LEU 48 HG LEU 48 -2.549 -8.090 -3.617 317 HD11 LEU 48 1HD1 LEU 48 -4.259 -6.650 -4.583 318 HD12 LEU 48 2HD1 LEU 48 -3.045 -5.407 -4.901 319 HD13 LEU 48 3HD1 LEU 48 -3.437 -5.853 -3.241 320 HD21 LEU 48 3HD2 LEU 48 -1.773 -7.110 -6.355 321 HD22 LEU 48 1HD2 LEU 48 -3.081 -8.236 -5.998 322 HD23 LEU 48 2HD2 LEU 48 -1.411 -8.694 -5.670 323 H LEU 49 H LEU 49 0.010 -4.058 -2.557 324 HA LEU 49 HA LEU 49 -2.491 -3.107 -1.436 325 HB2 LEU 49 2HB LEU 49 -1.269 -1.021 -0.792 326 HB3 LEU 49 1HB LEU 49 -0.731 -2.449 0.053 327 HG LEU 49 HG LEU 49 1.176 -2.472 -1.729 328 HD11 LEU 49 1HD1 LEU 49 1.871 -0.259 -2.477 329 HD12 LEU 49 2HD1 LEU 49 0.369 0.420 -1.852 330 HD13 LEU 49 3HD1 LEU 49 0.325 -0.741 -3.180 331 HD21 LEU 49 3HD2 LEU 49 2.546 -1.086 -0.285 332 HD22 LEU 49 1HD2 LEU 49 1.494 -2.139 0.654 333 HD23 LEU 49 2HD2 LEU 49 1.098 -0.428 0.477 334 H VAL 50 H VAL 50 -3.688 -1.842 -2.630 335 HA VAL 50 HA VAL 50 -2.597 -1.150 -5.253 336 HB VAL 50 HB VAL 50 -4.240 -2.980 -5.430 337 HG11 VAL 50 1HG1 VAL 50 -6.239 -1.060 -4.259 338 HG12 VAL 50 2HG1 VAL 50 -5.631 -2.532 -3.506 339 HG13 VAL 50 3HG1 VAL 50 -6.617 -2.632 -4.966 340 HG21 VAL 50 3HG2 VAL 50 -5.236 -0.382 -6.592 341 HG22 VAL 50 1HG2 VAL 50 -5.707 -1.991 -7.139 342 HG23 VAL 50 2HG2 VAL 50 -4.033 -1.460 -7.298 343 H VAL 51 H VAL 51 -2.760 0.873 -5.894 344 HA VAL 51 HA VAL 51 -3.860 2.816 -4.032 345 HB VAL 51 HB VAL 51 -2.625 3.338 -6.731 346 HG11 VAL 51 1HG1 VAL 51 -2.012 5.509 -5.765 347 HG12 VAL 51 2HG1 VAL 51 -2.752 5.035 -4.239 348 HG13 VAL 51 3HG1 VAL 51 -3.753 5.231 -5.676 349 HG21 VAL 51 3HG2 VAL 51 -0.428 3.616 -5.657 350 HG22 VAL 51 1HG2 VAL 51 -1.018 1.961 -5.525 351 HG23 VAL 51 2HG2 VAL 51 -1.103 3.046 -4.135 352 H LYS 52 H LYS 52 -5.910 3.370 -4.221 353 HA LYS 52 HA LYS 52 -7.315 2.848 -6.739 354 HB2 LYS 52 2HB LYS 52 -8.311 3.457 -3.965 355 HB3 LYS 52 1HB LYS 52 -9.371 3.421 -5.360 356 HG2 LYS 52 2HG LYS 52 -7.712 1.105 -4.388 357 HG3 LYS 52 1HG LYS 52 -9.423 1.342 -4.036 358 HD2 LYS 52 2HD LYS 52 -9.818 1.360 -6.532 359 HD3 LYS 52 1HD LYS 52 -8.141 0.860 -6.726 360 HE2 LYS 52 2HE LYS 52 -9.559 -1.081 -6.819 361 HE3 LYS 52 1HE LYS 52 -8.604 -1.130 -5.339 362 HZ1 LYS 52 3HZ LYS 52 -11.474 -0.313 -5.531 363 HZ2 LYS 52 1HZ LYS 52 -10.565 -0.310 -4.120 364 HZ3 LYS 52 2HZ LYS 52 -10.896 -1.749 -4.890 365 H ARG 53 H ARG 53 -6.314 5.410 -4.671 366 HA ARG 53 HA ARG 53 -7.342 7.379 -6.592 367 HB2 ARG 53 2HB ARG 53 -8.944 7.190 -4.686 368 HB3 ARG 53 1HB ARG 53 -7.628 7.534 -3.580 369 HG2 ARG 53 2HG ARG 53 -8.820 9.551 -3.811 370 HG3 ARG 53 1HG ARG 53 -7.362 9.741 -4.780 371 HD2 ARG 53 2HD ARG 53 -8.630 9.192 -6.796 372 HD3 ARG 53 1HD ARG 53 -10.092 9.002 -5.832 373 HE ARG 53 HE ARG 53 -8.671 11.484 -6.414 374 HH11 ARG 53 1HH1 ARG 53 -11.449 9.913 -4.898 375 HH12 ARG 53 2HH1 ARG 53 -12.435 11.290 -4.913 376 HH21 ARG 53 1HH2 ARG 53 -10.004 13.417 -6.393 377 HH22 ARG 53 2HH2 ARG 53 -11.591 13.337 -5.761 378 H GLY 54 H GLY 54 -5.849 9.026 -6.882 379 HA2 GLY 54 2HA GLY 54 -4.185 10.364 -5.508 380 HA3 GLY 54 1HA GLY 54 -3.408 8.799 -5.280 381 HA PRO 55 HA PRO 55 -1.940 10.910 -9.259 382 HB2 PRO 55 2HB PRO 55 0.675 10.674 -7.875 383 HB3 PRO 55 1HB PRO 55 0.028 12.026 -8.809 384 HG2 PRO 55 2HG PRO 55 0.119 12.255 -6.181 385 HG3 PRO 55 1HG PRO 55 -1.338 12.751 -7.056 386 HD2 PRO 55 2HD PRO 55 -0.840 10.177 -5.593 387 HD3 PRO 55 1HD PRO 55 -2.224 11.289 -5.462 388 H ASN 56 H ASN 56 -0.548 8.336 -7.228 389 HA ASN 56 HA ASN 56 0.424 6.933 -9.577 390 HB2 ASN 56 2HB ASN 56 1.555 5.479 -7.912 391 HB3 ASN 56 1HB ASN 56 1.989 7.174 -7.725 392 HD21 ASN 56 1HD2 ASN 56 2.150 5.010 -5.815 393 HD22 ASN 56 2HD2 ASN 56 1.167 5.467 -4.469 394 H ALA 57 H ALA 57 -2.468 7.194 -8.776 395 HA ALA 57 HA ALA 57 -3.431 4.755 -7.740 396 HB1 ALA 57 1HB ALA 57 -5.605 5.435 -8.524 397 HB2 ALA 57 2HB ALA 57 -4.862 6.639 -9.578 398 HB3 ALA 57 3HB ALA 57 -4.763 6.822 -7.825 399 H GLY 58 H GLY 58 -4.195 2.932 -8.660 400 HA2 GLY 58 2HA GLY 58 -4.751 1.560 -10.491 401 HA3 GLY 58 1HA GLY 58 -3.783 2.597 -11.537 402 H ALA 59 H ALA 59 -1.829 2.515 -9.132 403 HA ALA 59 HA ALA 59 -0.342 0.281 -10.192 404 HB1 ALA 59 1HB ALA 59 0.440 2.322 -8.110 405 HB2 ALA 59 2HB ALA 59 0.808 2.409 -9.833 406 HB3 ALA 59 3HB ALA 59 1.512 1.129 -8.843 407 H ARG 60 H ARG 60 0.257 -1.502 -9.056 408 HA ARG 60 HA ARG 60 -0.744 -1.785 -6.333 409 HB2 ARG 60 2HB ARG 60 -1.387 -4.121 -6.817 410 HB3 ARG 60 1HB ARG 60 -2.332 -2.987 -7.761 411 HG2 ARG 60 2HG ARG 60 -0.984 -3.468 -9.732 412 HG3 ARG 60 1HG ARG 60 0.037 -4.549 -8.782 413 HD2 ARG 60 2HD ARG 60 -1.594 -5.821 -10.071 414 HD3 ARG 60 1HD ARG 60 -1.908 -5.975 -8.342 415 HE ARG 60 HE ARG 60 -3.365 -3.899 -9.700 416 HH11 ARG 60 1HH1 ARG 60 -3.416 -7.286 -8.664 417 HH12 ARG 60 2HH1 ARG 60 -5.117 -7.388 -8.620 418 HH21 ARG 60 1HH2 ARG 60 -5.689 -4.057 -9.691 419 HH22 ARG 60 2HH2 ARG 60 -6.448 -5.521 -9.252 420 H PHE 61 H PHE 61 0.653 -2.762 -4.990 421 HA PHE 61 HA PHE 61 3.105 -3.875 -6.177 422 HB2 PHE 61 2HB PHE 61 2.986 -2.010 -3.793 423 HB3 PHE 61 1HB PHE 61 4.435 -2.782 -4.425 424 HD1 PHE 61 2HD PHE 61 5.221 -2.153 -6.741 425 HD2 PHE 61 1HD PHE 61 2.207 0.027 -4.668 426 HE1 PHE 61 2HE PHE 61 5.583 -0.232 -8.232 427 HE2 PHE 61 1HE PHE 61 2.566 1.948 -6.157 428 HZ PHE 61 HZ PHE 61 4.256 1.820 -7.942 429 H LEU 62 H LEU 62 3.926 -5.658 -5.102 430 HA LEU 62 HA LEU 62 2.157 -6.628 -3.021 431 HB2 LEU 62 2HB LEU 62 2.890 -8.944 -3.651 432 HB3 LEU 62 1HB LEU 62 1.943 -8.107 -4.848 433 HG LEU 62 HG LEU 62 4.125 -7.644 -6.080 434 HD11 LEU 62 1HD1 LEU 62 6.009 -9.114 -5.634 435 HD12 LEU 62 2HD1 LEU 62 5.186 -9.758 -4.217 436 HD13 LEU 62 3HD1 LEU 62 5.689 -8.067 -4.249 437 HD21 LEU 62 3HD2 LEU 62 4.196 -9.885 -7.061 438 HD22 LEU 62 1HD2 LEU 62 2.542 -9.324 -6.819 439 HD23 LEU 62 2HD2 LEU 62 3.246 -10.499 -5.710 440 H LEU 63 H LEU 63 2.873 -7.562 -1.216 441 HA LEU 63 HA LEU 63 5.535 -6.712 -0.422 442 HB2 LEU 63 2HB LEU 63 3.195 -7.752 1.204 443 HB3 LEU 63 1HB LEU 63 4.746 -7.330 1.884 444 HG LEU 63 HG LEU 63 4.337 -4.945 1.194 445 HD11 LEU 63 1HD1 LEU 63 2.734 -5.295 -0.600 446 HD12 LEU 63 2HD1 LEU 63 2.070 -4.230 0.643 447 HD13 LEU 63 3HD1 LEU 63 1.557 -5.915 0.562 448 HD21 LEU 63 3HD2 LEU 63 2.678 -4.491 2.956 449 HD22 LEU 63 1HD2 LEU 63 3.906 -5.647 3.471 450 HD23 LEU 63 2HD2 LEU 63 2.310 -6.216 3.016 451 H ASP 64 H ASP 64 6.935 -8.176 -1.098 452 HA ASP 64 HA ASP 64 6.658 -10.948 -0.122 453 HB2 ASP 64 2HB ASP 64 6.213 -10.799 -2.578 454 HB3 ASP 64 1HB ASP 64 7.776 -10.033 -2.803 455 H GLN 65 H GLN 65 7.971 -8.272 0.417 456 HA GLN 65 HA GLN 65 10.795 -9.048 0.552 457 HB2 GLN 65 2HB GLN 65 11.198 -6.583 0.563 458 HB3 GLN 65 1HB GLN 65 10.486 -7.157 -0.928 459 HG2 GLN 65 2HG GLN 65 8.238 -6.502 0.153 460 HG3 GLN 65 1HG GLN 65 9.226 -5.595 1.289 461 HE21 GLN 65 1HE2 GLN 65 11.211 -4.966 -0.820 462 HE22 GLN 65 2HE2 GLN 65 10.447 -3.759 -1.792 463 HA PRO 66 HA PRO 66 10.560 -8.755 4.999 464 HB2 PRO 66 2HB PRO 66 12.958 -7.014 4.947 465 HB3 PRO 66 1HB PRO 66 12.709 -8.552 5.775 466 HG2 PRO 66 2HG PRO 66 14.241 -8.364 3.593 467 HG3 PRO 66 1HG PRO 66 13.251 -9.795 3.906 468 HD2 PRO 66 2HD PRO 66 12.808 -7.561 1.979 469 HD3 PRO 66 1HD PRO 66 12.414 -9.286 1.834 470 H THR 67 H THR 67 11.165 -5.752 3.211 471 HA THR 67 HA THR 67 9.233 -4.410 4.861 472 HB THR 67 HB THR 67 12.103 -3.425 4.769 473 HG1 THR 67 1HG THR 67 10.705 -4.950 6.444 474 HG21 THR 67 3HG2 THR 67 9.655 -2.144 6.021 475 HG22 THR 67 1HG2 THR 67 10.506 -1.547 4.598 476 HG23 THR 67 2HG2 THR 67 11.307 -1.546 6.168 477 H THR 68 H THR 68 8.053 -3.130 3.627 478 HA THR 68 HA THR 68 9.069 -2.232 1.034 479 HB THR 68 HB THR 68 6.263 -2.057 2.169 480 HG1 THR 68 1HG THR 68 7.175 -4.018 0.350 481 HG21 THR 68 3HG2 THR 68 5.602 -1.897 -0.180 482 HG22 THR 68 1HG2 THR 68 7.293 -2.025 -0.670 483 HG23 THR 68 2HG2 THR 68 6.742 -0.619 0.243 484 H THR 69 H THR 69 9.965 -0.206 1.228 485 HA THR 69 HA THR 69 9.062 1.526 3.387 486 HB THR 69 HB THR 69 11.290 1.981 1.373 487 HG1 THR 69 1HG THR 69 11.870 0.231 2.536 488 HG21 THR 69 3HG2 THR 69 10.502 4.036 2.509 489 HG22 THR 69 1HG2 THR 69 12.127 3.596 3.035 490 HG23 THR 69 2HG2 THR 69 10.743 3.255 4.072 491 H ALA 70 H ALA 70 7.758 3.317 3.065 492 HA ALA 70 HA ALA 70 7.150 3.989 0.281 493 HB1 ALA 70 1HB ALA 70 4.932 4.609 1.083 494 HB2 ALA 70 2HB ALA 70 5.379 4.128 2.719 495 HB3 ALA 70 3HB ALA 70 5.282 2.918 1.438 496 H GLY 71 H GLY 71 7.372 6.061 -0.270 497 HA2 GLY 71 2HA GLY 71 7.050 8.323 1.147 498 HA3 GLY 71 1HA GLY 71 8.687 7.817 1.541 499 H ARG 72 H ARG 72 10.016 9.015 0.442 500 HA ARG 72 HA ARG 72 9.445 9.569 -2.384 501 HB2 ARG 72 2HB ARG 72 10.915 11.309 -0.407 502 HB3 ARG 72 1HB ARG 72 10.671 11.682 -2.100 503 HG2 ARG 72 2HG ARG 72 8.509 11.408 -0.033 504 HG3 ARG 72 1HG ARG 72 9.172 12.918 -0.640 505 HD2 ARG 72 2HD ARG 72 7.689 10.851 -2.269 506 HD3 ARG 72 1HD ARG 72 7.015 12.365 -1.676 507 HE ARG 72 HE ARG 72 9.276 12.274 -3.554 508 HH11 ARG 72 1HH1 ARG 72 6.155 13.761 -2.546 509 HH12 ARG 72 2HH1 ARG 72 6.009 14.643 -3.969 510 HH21 ARG 72 1HH2 ARG 72 8.990 13.579 -5.526 511 HH22 ARG 72 2HH2 ARG 72 7.584 14.540 -5.664 512 H HIS 73 H HIS 73 11.190 9.652 -3.774 513 HA HIS 73 HA HIS 73 13.176 9.255 -4.687 514 HB2 HIS 73 2HB HIS 73 14.216 8.956 -1.849 515 HB3 HIS 73 1HB HIS 73 15.250 8.870 -3.265 516 HD1 HIS 73 1HD HIS 73 13.773 11.296 -0.909 517 HD2 HIS 73 2HD HIS 73 15.301 11.325 -4.780 518 HE1 HIS 73 1HE HIS 73 14.201 13.698 -1.469 519 HA PRO 74 HA PRO 74 13.181 5.069 -5.840 520 HB2 PRO 74 2HB PRO 74 16.147 5.107 -5.980 521 HB3 PRO 74 1HB PRO 74 14.969 4.674 -7.220 522 HG2 PRO 74 2HG PRO 74 16.215 6.999 -7.345 523 HG3 PRO 74 1HG PRO 74 14.480 6.897 -7.713 524 HD2 PRO 74 2HD PRO 74 15.831 7.868 -5.225 525 HD3 PRO 74 1HD PRO 74 14.440 8.548 -6.095 526 H GLU 75 H GLU 75 15.229 5.791 -3.091 527 HA GLU 75 HA GLU 75 15.670 3.053 -2.444 528 HB2 GLU 75 2HB GLU 75 16.182 3.948 -0.102 529 HB3 GLU 75 1HB GLU 75 17.229 4.453 -1.414 530 HG2 GLU 75 2HG GLU 75 14.942 6.199 -0.777 531 HG3 GLU 75 1HG GLU 75 16.262 6.129 0.393 532 H SER 76 H SER 76 13.037 5.209 -1.977 533 HA SER 76 HA SER 76 11.745 3.507 -0.093 534 HB2 SER 76 2HB SER 76 10.686 5.744 -1.862 535 HB3 SER 76 1HB SER 76 9.793 4.971 -0.549 536 HG SER 76 HG SER 76 11.673 6.945 -0.438 537 H ASP 77 H ASP 77 10.822 1.685 -0.672 538 HA ASP 77 HA ASP 77 11.195 0.611 -3.219 539 HB2 ASP 77 2HB ASP 77 11.009 -0.769 -1.178 540 HB3 ASP 77 1HB ASP 77 9.289 -0.399 -1.102 541 H ILE 78 H ILE 78 8.234 1.769 -1.684 542 HA ILE 78 HA ILE 78 7.091 1.743 -4.361 543 HB ILE 78 HB ILE 78 4.843 1.837 -3.325 544 HG12 ILE 78 2HG1 ILE 78 6.289 1.339 -0.702 545 HG13 ILE 78 1HG1 ILE 78 5.502 2.850 -1.150 546 HG21 ILE 78 1HG2 ILE 78 5.737 -0.274 -4.025 547 HG22 ILE 78 2HG2 ILE 78 4.796 -0.499 -2.550 548 HG23 ILE 78 3HG2 ILE 78 6.560 -0.480 -2.481 549 HD11 ILE 78 3HD1 ILE 78 4.139 0.194 -0.811 550 HD12 ILE 78 1HD1 ILE 78 3.348 1.715 -1.214 551 HD13 ILE 78 2HD1 ILE 78 4.120 1.514 0.359 552 H PHE 79 H PHE 79 6.790 3.561 -5.325 553 HA PHE 79 HA PHE 79 7.297 5.952 -3.815 554 HB2 PHE 79 2HB PHE 79 8.379 5.571 -6.057 555 HB3 PHE 79 1HB PHE 79 6.780 5.698 -6.787 556 HD1 PHE 79 2HD PHE 79 9.414 7.518 -4.996 557 HD2 PHE 79 1HD PHE 79 5.715 7.835 -7.075 558 HE1 PHE 79 2HE PHE 79 9.674 9.951 -5.083 559 HE2 PHE 79 1HE PHE 79 5.972 10.280 -7.161 560 HZ PHE 79 HZ PHE 79 7.954 11.341 -6.164 561 H LEU 80 H LEU 80 5.796 7.176 -3.078 562 HA LEU 80 HA LEU 80 3.039 7.045 -4.151 563 HB2 LEU 80 2HB LEU 80 3.909 7.683 -1.322 564 HB3 LEU 80 1HB LEU 80 2.277 7.488 -1.908 565 HG LEU 80 HG LEU 80 4.297 5.261 -1.600 566 HD11 LEU 80 1HD1 LEU 80 2.890 4.546 0.249 567 HD12 LEU 80 2HD1 LEU 80 1.875 5.969 0.027 568 HD13 LEU 80 3HD1 LEU 80 3.557 6.156 0.529 569 HD21 LEU 80 3HD2 LEU 80 1.364 5.172 -2.316 570 HD22 LEU 80 1HD2 LEU 80 2.388 3.773 -1.993 571 HD23 LEU 80 2HD2 LEU 80 2.712 4.793 -3.392 572 H ASP 81 H ASP 81 2.179 9.072 -4.477 573 HA ASP 81 HA ASP 81 4.179 11.195 -4.174 574 HB2 ASP 81 2HB ASP 81 3.363 10.756 -6.492 575 HB3 ASP 81 1HB ASP 81 1.734 11.155 -5.975 576 H ASP 82 H ASP 82 3.847 12.467 -2.614 577 HA ASP 82 HA ASP 82 1.470 12.155 -1.035 578 HB2 ASP 82 2HB ASP 82 2.903 13.471 0.646 579 HB3 ASP 82 1HB ASP 82 3.372 11.823 0.253 580 H VAL 83 H VAL 83 1.036 14.253 0.340 581 HA VAL 83 HA VAL 83 -0.061 16.085 -1.611 582 HB VAL 83 HB VAL 83 -0.216 16.253 1.419 583 HG11 VAL 83 1HG1 VAL 83 -1.969 17.456 -0.713 584 HG12 VAL 83 2HG1 VAL 83 -0.818 18.322 0.301 585 HG13 VAL 83 3HG1 VAL 83 -2.243 17.572 1.026 586 HG21 VAL 83 3HG2 VAL 83 -2.139 14.904 -0.483 587 HG22 VAL 83 1HG2 VAL 83 -2.394 15.129 1.249 588 HG23 VAL 83 2HG2 VAL 83 -1.085 14.095 0.679 589 H THR 84 H THR 84 2.429 15.964 0.769 590 HA THR 84 HA THR 84 3.809 18.127 -0.431 591 HB THR 84 HB THR 84 3.044 18.127 2.535 592 HG1 THR 84 1HG THR 84 1.811 19.035 0.498 593 HG21 THR 84 3HG2 THR 84 4.792 20.075 1.004 594 HG22 THR 84 1HG2 THR 84 5.371 18.899 2.185 595 HG23 THR 84 2HG2 THR 84 4.317 20.222 2.693 596 H VAL 85 H VAL 85 6.158 17.908 0.415 597 HA VAL 85 HA VAL 85 6.594 15.176 -0.146 598 HB VAL 85 HB VAL 85 8.617 17.361 0.404 599 HG11 VAL 85 1HG1 VAL 85 10.219 15.958 -0.732 600 HG12 VAL 85 2HG1 VAL 85 8.978 14.770 -1.057 601 HG13 VAL 85 3HG1 VAL 85 9.519 15.035 0.610 602 HG21 VAL 85 3HG2 VAL 85 7.103 17.845 -1.461 603 HG22 VAL 85 1HG2 VAL 85 7.533 16.309 -2.203 604 HG23 VAL 85 2HG2 VAL 85 8.756 17.572 -2.011 605 H SER 86 H SER 86 6.523 13.663 1.190 606 HA SER 86 HA SER 86 7.643 13.918 3.864 607 HB2 SER 86 2HB SER 86 5.633 11.946 2.749 608 HB3 SER 86 1HB SER 86 6.153 12.071 4.435 609 HG SER 86 HG SER 86 4.836 14.070 2.927 610 H ARG 87 H ARG 87 9.620 13.201 3.792 611 HA ARG 87 HA ARG 87 10.837 11.756 1.745 612 HB2 ARG 87 2HB ARG 87 12.672 11.374 3.481 613 HB3 ARG 87 1HB ARG 87 12.284 13.036 3.053 614 HG2 ARG 87 2HG ARG 87 10.929 13.196 5.116 615 HG3 ARG 87 1HG ARG 87 11.394 11.540 5.504 616 HD2 ARG 87 2HD ARG 87 13.664 12.146 5.726 617 HD3 ARG 87 1HD ARG 87 13.374 13.748 5.056 618 HE ARG 87 HE ARG 87 11.821 13.901 7.132 619 HH11 ARG 87 1HH1 ARG 87 15.091 12.458 7.014 620 HH12 ARG 87 2HH1 ARG 87 15.423 12.777 8.650 621 HH21 ARG 87 1HH2 ARG 87 12.343 14.353 9.383 622 HH22 ARG 87 2HH2 ARG 87 13.836 13.874 10.011 623 H ARG 88 H ARG 88 9.744 10.565 4.887 624 HA ARG 88 HA ARG 88 9.318 7.988 3.615 625 HB2 ARG 88 2HB ARG 88 11.383 7.791 5.067 626 HB3 ARG 88 1HB ARG 88 10.405 8.306 6.438 627 HG2 ARG 88 2HG ARG 88 8.860 6.331 5.755 628 HG3 ARG 88 1HG ARG 88 10.283 5.746 4.900 629 HD2 ARG 88 2HD ARG 88 10.116 6.393 7.838 630 HD3 ARG 88 1HD ARG 88 10.070 4.783 7.141 631 HE ARG 88 HE ARG 88 12.387 5.583 6.241 632 HH11 ARG 88 1HH1 ARG 88 11.052 6.180 9.462 633 HH12 ARG 88 2HH1 ARG 88 12.513 5.901 10.287 634 HH21 ARG 88 1HH2 ARG 88 14.409 5.254 7.363 635 HH22 ARG 88 2HH2 ARG 88 14.493 5.367 9.056 636 H HIS 89 H HIS 89 7.222 7.660 3.823 637 HA HIS 89 HA HIS 89 5.821 9.203 5.842 638 HB2 HIS 89 2HB HIS 89 4.861 9.213 3.596 639 HB3 HIS 89 1HB HIS 89 4.830 7.456 3.566 640 HD2 HIS 89 2HD HIS 89 3.023 10.302 5.706 641 HE1 HIS 89 1HE HIS 89 0.522 6.954 5.229 642 HE2 HIS 89 2HE HIS 89 1.018 9.004 6.569 643 H ALA 90 H ALA 90 6.157 5.824 4.775 644 HA ALA 90 HA ALA 90 6.072 4.930 7.492 645 HB1 ALA 90 1HB ALA 90 3.677 5.231 7.054 646 HB2 ALA 90 2HB ALA 90 4.085 3.524 7.227 647 HB3 ALA 90 3HB ALA 90 3.811 4.210 5.623 648 H GLU 91 H GLU 91 6.476 2.684 7.587 649 HA GLU 91 HA GLU 91 7.023 1.485 5.013 650 HB2 GLU 91 2HB GLU 91 9.070 0.305 5.839 651 HB3 GLU 91 1HB GLU 91 9.248 2.035 5.674 652 HG2 GLU 91 2HG GLU 91 9.100 2.299 8.078 653 HG3 GLU 91 1HG GLU 91 8.816 0.565 8.265 654 H PHE 92 H PHE 92 6.846 -0.674 4.800 655 HA PHE 92 HA PHE 92 4.954 -1.843 6.725 656 HB2 PHE 92 2HB PHE 92 5.528 -2.608 3.838 657 HB3 PHE 92 1HB PHE 92 4.290 -3.294 4.862 658 HD1 PHE 92 1HD PHE 92 5.299 0.056 3.492 659 HD2 PHE 92 2HD PHE 92 2.137 -2.569 4.594 660 HE1 PHE 92 1HE PHE 92 3.659 1.674 2.631 661 HE2 PHE 92 2HE PHE 92 0.497 -0.951 3.741 662 HZ PHE 92 HZ PHE 92 1.256 1.174 2.760 663 H ARG 93 H ARG 93 5.933 -3.236 7.994 664 HA ARG 93 HA ARG 93 8.352 -4.544 7.007 665 HB2 ARG 93 2HB ARG 93 7.505 -4.182 9.887 666 HB3 ARG 93 1HB ARG 93 9.055 -4.761 9.298 667 HG2 ARG 93 2HG ARG 93 9.405 -2.538 8.229 668 HG3 ARG 93 1HG ARG 93 7.937 -1.984 9.027 669 HD2 ARG 93 2HD ARG 93 10.443 -2.991 10.370 670 HD3 ARG 93 1HD ARG 93 9.901 -1.318 10.263 671 HE ARG 93 HE ARG 93 7.949 -2.939 11.548 672 HH11 ARG 93 1HH1 ARG 93 10.989 -1.192 12.098 673 HH12 ARG 93 2HH1 ARG 93 10.853 -1.230 13.784 674 HH21 ARG 93 1HH2 ARG 93 7.749 -2.946 13.788 675 HH22 ARG 93 2HH2 ARG 93 8.955 -2.265 14.814 676 H ILE 94 H ILE 94 8.135 -6.592 6.541 677 HA ILE 94 HA ILE 94 5.851 -8.021 7.673 678 HB ILE 94 HB ILE 94 7.612 -8.802 5.305 679 HG12 ILE 94 2HG1 ILE 94 5.476 -8.379 3.921 680 HG13 ILE 94 1HG1 ILE 94 4.883 -7.481 5.307 681 HG21 ILE 94 1HG2 ILE 94 5.028 -9.991 6.285 682 HG22 ILE 94 2HG2 ILE 94 6.634 -10.694 6.435 683 HG23 ILE 94 3HG2 ILE 94 5.907 -10.491 4.838 684 HD11 ILE 94 3HD1 ILE 94 7.378 -6.823 3.753 685 HD12 ILE 94 1HD1 ILE 94 6.694 -5.874 5.067 686 HD13 ILE 94 2HD1 ILE 94 5.826 -6.030 3.536 687 H ASN 95 H ASN 95 6.492 -9.123 9.407 688 HA ASN 95 HA ASN 95 9.048 -10.481 9.294 689 HB2 ASN 95 2HB ASN 95 9.761 -9.729 11.491 690 HB3 ASN 95 1HB ASN 95 9.499 -8.339 10.453 691 HD21 ASN 95 1HD2 ASN 95 7.692 -6.990 10.888 692 HD22 ASN 95 2HD2 ASN 95 6.941 -6.965 12.433 693 H GLU 96 H GLU 96 8.919 -12.465 9.989 694 HA GLU 96 HA GLU 96 8.166 -14.411 10.931 695 HB2 GLU 96 2HB GLU 96 8.693 -12.932 12.916 696 HB3 GLU 96 1HB GLU 96 6.985 -12.558 13.004 697 HG2 GLU 96 2HG GLU 96 6.536 -14.954 13.382 698 HG3 GLU 96 1HG GLU 96 8.276 -15.242 13.392 699 H GLY 97 H GLY 97 6.523 -13.180 8.954 700 HA2 GLY 97 2HA GLY 97 4.542 -13.757 7.919 701 HA3 GLY 97 1HA GLY 97 4.091 -14.644 9.359 702 H GLU 98 H GLU 98 4.883 -11.584 10.434 703 HA GLU 98 HA GLU 98 2.082 -10.806 10.476 704 HB2 GLU 98 2HB GLU 98 4.489 -9.798 12.000 705 HB3 GLU 98 1HB GLU 98 2.815 -9.351 12.297 706 HG2 GLU 98 2HG GLU 98 3.819 -12.159 12.514 707 HG3 GLU 98 1HG GLU 98 3.849 -11.037 13.862 708 H PHE 99 H PHE 99 1.456 -8.998 9.425 709 HA PHE 99 HA PHE 99 3.503 -7.479 7.962 710 HB2 PHE 99 2HB PHE 99 0.493 -7.620 7.537 711 HB3 PHE 99 1HB PHE 99 1.616 -6.711 6.548 712 HD1 PHE 99 2HD PHE 99 0.505 -10.110 7.480 713 HD2 PHE 99 1HD PHE 99 2.815 -7.767 4.781 714 HE1 PHE 99 2HE PHE 99 0.725 -12.056 5.992 715 HE2 PHE 99 1HE PHE 99 3.037 -9.705 3.283 716 HZ PHE 99 HZ PHE 99 1.992 -11.852 3.885 717 H GLU 100 H GLU 100 4.002 -5.616 8.984 718 HA GLU 100 HA GLU 100 1.847 -4.228 10.396 719 HB2 GLU 100 2HB GLU 100 3.525 -3.514 12.082 720 HB3 GLU 100 1HB GLU 100 3.244 -5.248 12.086 721 HG2 GLU 100 2HG GLU 100 5.309 -5.636 10.916 722 HG3 GLU 100 1HG GLU 100 5.547 -3.906 10.699 723 H VAL 101 H VAL 101 1.639 -2.181 9.898 724 HA VAL 101 HA VAL 101 3.703 -0.934 8.224 725 HB VAL 101 HB VAL 101 0.938 0.086 8.918 726 HG11 VAL 101 1HG1 VAL 101 2.850 0.890 6.726 727 HG12 VAL 101 2HG1 VAL 101 2.467 1.824 8.170 728 HG13 VAL 101 3HG1 VAL 101 1.224 1.531 6.955 729 HG21 VAL 101 3HG2 VAL 101 0.752 -2.037 7.757 730 HG22 VAL 101 1HG2 VAL 101 1.802 -1.439 6.473 731 HG23 VAL 101 2HG2 VAL 101 0.216 -0.708 6.727 732 H VAL 102 H VAL 102 5.052 0.428 9.210 733 HA VAL 102 HA VAL 102 4.099 1.668 11.656 734 HB VAL 102 HB VAL 102 6.498 1.946 12.351 735 HG11 VAL 102 1HG1 VAL 102 5.572 -0.894 11.938 736 HG12 VAL 102 2HG1 VAL 102 5.162 0.157 13.292 737 HG13 VAL 102 3HG1 VAL 102 6.827 -0.386 13.069 738 HG21 VAL 102 3HG2 VAL 102 7.588 1.725 10.174 739 HG22 VAL 102 1HG2 VAL 102 7.056 0.049 10.061 740 HG23 VAL 102 2HG2 VAL 102 8.220 0.523 11.297 741 H ASP 103 H ASP 103 3.901 3.694 11.680 742 HA ASP 103 HA ASP 103 4.605 5.188 9.278 743 HB2 ASP 103 2HB ASP 103 2.294 5.262 9.639 744 HB3 ASP 103 1HB ASP 103 2.482 5.497 11.371 745 H VAL 104 H VAL 104 5.789 6.918 9.332 746 HA VAL 104 HA VAL 104 6.386 8.150 11.936 747 HB VAL 104 HB VAL 104 8.651 8.779 11.191 748 HG11 VAL 104 1HG1 VAL 104 8.171 5.808 11.038 749 HG12 VAL 104 2HG1 VAL 104 8.435 6.755 12.502 750 HG13 VAL 104 3HG1 VAL 104 9.733 6.583 11.321 751 HG21 VAL 104 3HG2 VAL 104 8.122 7.040 8.786 752 HG22 VAL 104 1HG2 VAL 104 9.654 7.812 9.198 753 HG23 VAL 104 2HG2 VAL 104 8.254 8.801 8.776 754 H GLY 105 H GLY 105 4.734 8.565 9.191 755 HA2 GLY 105 2HA GLY 105 5.531 11.361 8.839 756 HA3 GLY 105 1HA GLY 105 4.940 10.330 7.549 757 H SER 106 H SER 106 3.673 10.547 10.825 758 HA SER 106 HA SER 106 0.995 10.725 10.176 759 HB2 SER 106 2HB SER 106 2.336 11.945 12.590 760 HB3 SER 106 1HB SER 106 0.633 11.529 12.451 761 HG SER 106 HG SER 106 2.050 9.331 11.857 762 H LEU 107 H LEU 107 3.358 13.161 9.928 763 HA LEU 107 HA LEU 107 1.780 15.475 10.317 764 HB2 LEU 107 2HB LEU 107 4.338 15.187 8.728 765 HB3 LEU 107 1HB LEU 107 3.602 16.707 9.166 766 HG LEU 107 HG LEU 107 5.381 16.468 10.637 767 HD11 LEU 107 1HD1 LEU 107 3.400 17.174 11.793 768 HD12 LEU 107 2HD1 LEU 107 4.454 16.235 12.848 769 HD13 LEU 107 3HD1 LEU 107 3.004 15.496 12.174 770 HD21 LEU 107 3HD2 LEU 107 5.927 14.118 10.229 771 HD22 LEU 107 1HD2 LEU 107 4.556 13.620 11.224 772 HD23 LEU 107 2HD2 LEU 107 5.899 14.483 11.954 773 H ASN 108 H ASN 108 2.297 13.387 7.573 774 HA ASN 108 HA ASN 108 1.011 15.245 5.736 775 HB2 ASN 108 2HB ASN 108 2.877 13.897 4.866 776 HB3 ASN 108 1HB ASN 108 2.046 12.417 5.315 777 HD21 ASN 108 1HD2 ASN 108 0.480 11.615 3.970 778 HD22 ASN 108 2HD2 ASN 108 0.126 12.264 2.408 779 H GLY 109 H GLY 109 0.212 12.743 7.849 780 HA2 GLY 109 2HA GLY 109 -2.054 12.580 8.603 781 HA3 GLY 109 1HA GLY 109 -2.577 12.965 6.973 782 H THR 110 H THR 110 -0.871 10.422 8.825 783 HA THR 110 HA THR 110 -1.615 8.424 6.903 784 HB THR 110 HB THR 110 -0.607 8.086 9.712 785 HG1 THR 110 1HG THR 110 1.522 8.321 8.611 786 HG21 THR 110 3HG2 THR 110 0.537 6.138 8.710 787 HG22 THR 110 1HG2 THR 110 -0.146 6.543 7.137 788 HG23 THR 110 2HG2 THR 110 -1.205 6.034 8.450 789 H TYR 111 H TYR 111 -3.596 7.400 6.960 790 HA TYR 111 HA TYR 111 -4.938 7.052 9.536 791 HB2 TYR 111 2HB TYR 111 -6.322 7.912 6.976 792 HB3 TYR 111 1HB TYR 111 -7.119 7.541 8.501 793 HD1 TYR 111 1HD TYR 111 -6.579 9.001 10.505 794 HD2 TYR 111 2HD TYR 111 -5.511 10.069 6.531 795 HE1 TYR 111 1HE TYR 111 -6.257 11.324 11.220 796 HE2 TYR 111 2HE TYR 111 -5.193 12.396 7.239 797 HH TYR 111 HH TYR 111 -5.809 13.862 8.970 798 H VAL 112 H VAL 112 -5.752 5.061 9.813 799 HA VAL 112 HA VAL 112 -5.959 3.348 7.447 800 HB VAL 112 HB VAL 112 -5.242 2.451 10.272 801 HG11 VAL 112 1HG1 VAL 112 -6.585 0.831 9.008 802 HG12 VAL 112 2HG1 VAL 112 -4.962 0.228 9.302 803 HG13 VAL 112 3HG1 VAL 112 -5.393 0.856 7.709 804 HG21 VAL 112 3HG2 VAL 112 -3.039 1.856 9.357 805 HG22 VAL 112 1HG2 VAL 112 -3.354 3.584 9.197 806 HG23 VAL 112 2HG2 VAL 112 -3.510 2.527 7.795 807 H ASN 113 H ASN 113 -7.928 2.742 7.100 808 HA ASN 113 HA ASN 113 -10.205 2.581 7.227 809 HB2 ASN 113 2HB ASN 113 -9.235 0.765 8.921 810 HB3 ASN 113 1HB ASN 113 -10.018 1.792 10.117 811 HD21 ASN 113 1HD2 ASN 113 -10.416 -0.493 7.659 812 HD22 ASN 113 2HD2 ASN 113 -12.132 -0.701 7.745 813 H ARG 114 H ARG 114 -9.430 5.137 7.501 814 HA ARG 114 HA ARG 114 -9.921 7.204 8.107 815 HB2 ARG 114 2HB ARG 114 -12.401 5.912 9.206 816 HB3 ARG 114 1HB ARG 114 -12.136 7.641 9.243 817 HG2 ARG 114 2HG ARG 114 -13.537 7.108 7.423 818 HG3 ARG 114 1HG ARG 114 -11.983 7.623 6.769 819 HD2 ARG 114 2HD ARG 114 -12.993 5.699 5.590 820 HD3 ARG 114 1HD ARG 114 -11.419 5.330 6.295 821 HE ARG 114 HE ARG 114 -12.650 4.271 8.144 822 HH11 ARG 114 1HH1 ARG 114 -14.458 4.762 5.166 823 HH12 ARG 114 2HH1 ARG 114 -15.262 3.273 5.213 824 HH21 ARG 114 1HH2 ARG 114 -13.795 2.176 8.269 825 HH22 ARG 114 2HH2 ARG 114 -14.937 1.826 7.054 826 H GLU 115 H GLU 115 -8.704 5.252 10.329 827 HA GLU 115 HA GLU 115 -8.923 7.360 12.338 828 HB2 GLU 115 2HB GLU 115 -8.451 4.412 12.840 829 HB3 GLU 115 1HB GLU 115 -8.510 5.663 14.074 830 HG2 GLU 115 2HG GLU 115 -10.857 6.136 13.381 831 HG3 GLU 115 1HG GLU 115 -10.772 4.742 12.313 832 HA PRO 116 HA PRO 116 -4.617 8.018 11.615 833 HB2 PRO 116 2HB PRO 116 -3.969 9.075 14.084 834 HB3 PRO 116 1HB PRO 116 -4.701 10.000 12.771 835 HG2 PRO 116 2HG PRO 116 -5.990 8.757 15.162 836 HG3 PRO 116 1HG PRO 116 -6.322 10.321 14.397 837 HD2 PRO 116 2HD PRO 116 -7.908 8.184 14.030 838 HD3 PRO 116 1HD PRO 116 -7.616 9.364 12.733 839 H ARG 117 H ARG 117 -2.820 6.805 11.850 840 HA ARG 117 HA ARG 117 -2.584 5.092 14.194 841 HB2 ARG 117 2HB ARG 117 -2.490 4.170 11.338 842 HB3 ARG 117 1HB ARG 117 -1.678 3.291 12.622 843 HG2 ARG 117 2HG ARG 117 -4.613 3.901 12.529 844 HG3 ARG 117 1HG ARG 117 -3.855 2.358 12.073 845 HD2 ARG 117 2HD ARG 117 -2.970 2.160 14.355 846 HD3 ARG 117 1HD ARG 117 -3.795 3.651 14.802 847 HE ARG 117 HE ARG 117 -5.605 1.838 13.692 848 HH11 ARG 117 1HH1 ARG 117 -3.730 2.402 16.634 849 HH12 ARG 117 2HH1 ARG 117 -4.747 1.513 17.651 850 HH21 ARG 117 1HH2 ARG 117 -7.027 0.602 15.087 851 HH22 ARG 117 2HH2 ARG 117 -6.683 0.485 16.752 852 H ASN 118 H ASN 118 -0.590 4.246 14.502 853 HA ASN 118 HA ASN 118 1.651 5.748 13.290 854 HB2 ASN 118 2HB ASN 118 1.343 4.900 16.179 855 HB3 ASN 118 1HB ASN 118 2.836 5.519 15.496 856 HD21 ASN 118 1HD2 ASN 118 1.461 7.543 13.828 857 HD22 ASN 118 2HD2 ASN 118 0.952 8.751 14.920 858 H ALA 119 H ALA 119 0.490 2.787 14.734 859 HA ALA 119 HA ALA 119 2.278 1.299 13.026 860 HB1 ALA 119 1HB ALA 119 3.397 1.332 15.228 861 HB2 ALA 119 2HB ALA 119 2.779 -0.278 14.854 862 HB3 ALA 119 3HB ALA 119 1.908 0.758 15.985 863 H GLN 120 H GLN 120 1.201 -0.423 12.191 864 HA GLN 120 HA GLN 120 -1.396 -1.147 13.338 865 HB2 GLN 120 2HB GLN 120 -1.908 0.682 11.845 866 HB3 GLN 120 1HB GLN 120 -0.989 -0.065 10.551 867 HG2 GLN 120 2HG GLN 120 -3.324 -0.369 10.146 868 HG3 GLN 120 1HG GLN 120 -2.591 -1.922 10.530 869 HE21 GLN 120 1HE2 GLN 120 -4.487 -2.843 11.169 870 HE22 GLN 120 2HE2 GLN 120 -5.264 -2.414 12.651 871 H VAL 121 H VAL 121 -1.440 -3.339 13.384 872 HA VAL 121 HA VAL 121 0.083 -4.826 11.400 873 HB VAL 121 HB VAL 121 -1.713 -5.873 13.632 874 HG11 VAL 121 1HG1 VAL 121 -0.493 -7.976 13.331 875 HG12 VAL 121 2HG1 VAL 121 0.405 -7.264 11.990 876 HG13 VAL 121 3HG1 VAL 121 -1.337 -7.501 11.858 877 HG21 VAL 121 3HG2 VAL 121 0.128 -4.571 14.580 878 HG22 VAL 121 1HG2 VAL 121 1.289 -5.511 13.642 879 HG23 VAL 121 2HG2 VAL 121 0.344 -6.290 14.912 880 H MET 122 H MET 122 -0.873 -5.279 9.542 881 HA MET 122 HA MET 122 -3.681 -4.533 9.416 882 HB2 MET 122 2HB MET 122 -1.718 -4.791 7.179 883 HB3 MET 122 1HB MET 122 -3.410 -4.354 6.987 884 HG2 MET 122 2HG MET 122 -2.964 -2.448 8.557 885 HG3 MET 122 1HG MET 122 -1.247 -2.826 8.396 886 HE1 MET 122 3HE MET 122 -4.030 -1.316 5.087 887 HE2 MET 122 1HE MET 122 -4.443 -1.496 6.794 888 HE3 MET 122 2HE MET 122 -4.200 -2.930 5.784 889 H GLN 123 H GLN 123 -5.263 -5.546 8.447 890 HA GLN 123 HA GLN 123 -4.905 -8.394 7.875 891 HB2 GLN 123 2HB GLN 123 -7.340 -6.835 8.795 892 HB3 GLN 123 1HB GLN 123 -7.346 -8.544 8.390 893 HG2 GLN 123 2HG GLN 123 -5.861 -9.032 10.230 894 HG3 GLN 123 1HG GLN 123 -5.698 -7.314 10.588 895 HE21 GLN 123 1HE2 GLN 123 -6.424 -7.609 12.671 896 HE22 GLN 123 2HE2 GLN 123 -8.089 -7.913 13.039 897 H THR 124 H THR 124 -6.083 -9.163 6.014 898 HA THR 124 HA THR 124 -5.911 -7.375 3.841 899 HB THR 124 HB THR 124 -5.415 -9.694 3.420 900 HG1 THR 124 1HG THR 124 -7.871 -9.263 2.056 901 HG21 THR 124 3HG2 THR 124 -6.795 -10.789 5.058 902 HG22 THR 124 1HG2 THR 124 -7.161 -11.463 3.471 903 HG23 THR 124 2HG2 THR 124 -8.264 -10.297 4.221 904 H GLY 125 H GLY 125 -7.361 -6.207 2.777 905 HA2 GLY 125 2HA GLY 125 -9.539 -5.650 2.050 906 HA3 GLY 125 1HA GLY 125 -10.190 -6.463 3.463 907 H ASP 126 H ASP 126 -7.631 -4.783 4.620 908 HA ASP 126 HA ASP 126 -9.403 -2.660 5.497 909 HB2 ASP 126 2HB ASP 126 -7.836 -3.991 7.082 910 HB3 ASP 126 1HB ASP 126 -6.558 -2.963 6.444 911 H GLU 127 H GLU 127 -8.633 -0.450 5.539 912 HA GLU 127 HA GLU 127 -7.330 0.160 2.964 913 HB2 GLU 127 2HB GLU 127 -8.845 2.134 2.869 914 HB3 GLU 127 1HB GLU 127 -9.648 0.572 2.736 915 HG2 GLU 127 2HG GLU 127 -10.447 0.693 4.961 916 HG3 GLU 127 1HG GLU 127 -9.419 2.082 5.314 917 H ILE 128 H ILE 128 -6.030 1.933 2.808 918 HA ILE 128 HA ILE 128 -5.318 3.350 5.287 919 HB ILE 128 HB ILE 128 -3.478 2.733 2.947 920 HG12 ILE 128 2HG1 ILE 128 -3.462 1.515 5.719 921 HG13 ILE 128 1HG1 ILE 128 -4.003 0.703 4.256 922 HG21 ILE 128 1HG2 ILE 128 -2.889 3.990 5.632 923 HG22 ILE 128 2HG2 ILE 128 -2.925 4.818 4.079 924 HG23 ILE 128 3HG2 ILE 128 -1.691 3.597 4.397 925 HD11 ILE 128 3HD1 ILE 128 -1.756 0.012 4.858 926 HD12 ILE 128 1HD1 ILE 128 -1.209 1.689 4.796 927 HD13 ILE 128 2HD1 ILE 128 -1.748 0.880 3.325 928 H GLN 129 H GLN 129 -5.470 5.515 5.127 929 HA GLN 129 HA GLN 129 -5.685 6.657 2.446 930 HB2 GLN 129 2HB GLN 129 -7.826 6.834 3.711 931 HB3 GLN 129 1HB GLN 129 -6.985 7.714 4.979 932 HG2 GLN 129 2HG GLN 129 -6.524 9.540 3.488 933 HG3 GLN 129 1HG GLN 129 -7.176 8.642 2.121 934 HE21 GLN 129 1HE2 GLN 129 -7.924 10.479 4.945 935 HE22 GLN 129 2HE2 GLN 129 -9.614 10.633 4.627 936 H ILE 130 H ILE 130 -4.112 7.936 1.949 937 HA ILE 130 HA ILE 130 -2.347 8.895 4.096 938 HB ILE 130 HB ILE 130 -1.688 8.352 1.186 939 HG12 ILE 130 2HG1 ILE 130 -0.956 6.849 3.711 940 HG13 ILE 130 1HG1 ILE 130 -2.019 6.298 2.425 941 HG21 ILE 130 1HG2 ILE 130 0.645 8.788 1.823 942 HG22 ILE 130 2HG2 ILE 130 0.119 9.218 3.449 943 HG23 ILE 130 3HG2 ILE 130 -0.370 10.209 2.077 944 HD11 ILE 130 3HD1 ILE 130 0.924 6.822 2.158 945 HD12 ILE 130 1HD1 ILE 130 -0.155 6.255 0.885 946 HD13 ILE 130 2HD1 ILE 130 0.155 5.241 2.297 947 H GLY 131 H GLY 131 -2.905 10.887 4.526 948 HA2 GLY 131 2HA GLY 131 -3.294 13.121 4.227 949 HA3 GLY 131 1HA GLY 131 -2.839 12.928 2.528 950 H LYS 132 H LYS 132 -4.340 12.240 1.068 951 HA LYS 132 HA LYS 132 -7.070 12.003 1.968 952 HB2 LYS 132 2HB LYS 132 -7.920 13.566 0.260 953 HB3 LYS 132 1HB LYS 132 -6.944 14.356 1.483 954 HG2 LYS 132 2HG LYS 132 -5.031 14.322 -0.141 955 HG3 LYS 132 1HG LYS 132 -6.148 13.712 -1.359 956 HD2 LYS 132 2HD LYS 132 -6.407 16.337 0.127 957 HD3 LYS 132 1HD LYS 132 -5.875 16.144 -1.541 958 HE2 LYS 132 2HE LYS 132 -8.054 15.297 -2.179 959 HE3 LYS 132 1HE LYS 132 -8.589 15.328 -0.500 960 HZ1 LYS 132 3HZ LYS 132 -9.418 17.224 -1.707 961 HZ2 LYS 132 1HZ LYS 132 -7.858 17.708 -2.121 962 HZ3 LYS 132 2HZ LYS 132 -8.353 17.728 -0.509 963 H PHE 133 H PHE 133 -4.610 10.684 0.175 964 HA PHE 133 HA PHE 133 -6.509 9.721 -1.758 965 HB2 PHE 133 2HB PHE 133 -4.688 8.859 -3.128 966 HB3 PHE 133 1HB PHE 133 -4.505 10.568 -2.824 967 HD1 PHE 133 2HD PHE 133 -2.610 11.378 -1.525 968 HD2 PHE 133 1HD PHE 133 -3.118 7.236 -2.339 969 HE1 PHE 133 2HE PHE 133 -0.253 10.985 -0.981 970 HE2 PHE 133 1HE PHE 133 -0.750 6.837 -1.811 971 HZ PHE 133 HZ PHE 133 0.692 8.716 -1.146 972 H ARG 134 H ARG 134 -6.063 7.283 -2.451 973 HA ARG 134 HA ARG 134 -6.705 5.935 0.111 974 HB2 ARG 134 2HB ARG 134 -8.135 5.646 -2.532 975 HB3 ARG 134 1HB ARG 134 -8.556 4.862 -1.019 976 HG2 ARG 134 2HG ARG 134 -8.496 7.854 -1.245 977 HG3 ARG 134 1HG ARG 134 -9.908 6.921 -1.730 978 HD2 ARG 134 2HD ARG 134 -8.652 6.618 0.978 979 HD3 ARG 134 1HD ARG 134 -9.868 7.855 0.653 980 HE ARG 134 HE ARG 134 -11.064 5.697 -0.283 981 HH11 ARG 134 1HH1 ARG 134 -9.493 6.232 2.862 982 HH12 ARG 134 2HH1 ARG 134 -10.475 5.030 3.628 983 HH21 ARG 134 1HH2 ARG 134 -12.406 4.143 0.897 984 HH22 ARG 134 2HH2 ARG 134 -12.051 3.877 2.552 985 H LEU 135 H LEU 135 -5.598 4.111 0.468 986 HA LEU 135 HA LEU 135 -4.661 2.449 -1.785 987 HB2 LEU 135 2HB LEU 135 -3.502 2.615 0.993 988 HB3 LEU 135 1HB LEU 135 -2.910 1.634 -0.318 989 HG LEU 135 HG LEU 135 -2.806 4.608 -0.102 990 HD11 LEU 135 1HD1 LEU 135 -1.232 3.442 1.358 991 HD12 LEU 135 2HD1 LEU 135 -0.360 4.200 0.024 992 HD13 LEU 135 3HD1 LEU 135 -0.672 2.466 0.002 993 HD21 LEU 135 3HD2 LEU 135 -3.076 3.979 -2.401 994 HD22 LEU 135 1HD2 LEU 135 -1.795 2.774 -2.244 995 HD23 LEU 135 2HD2 LEU 135 -1.408 4.495 -2.122 996 H VAL 136 H VAL 136 -5.224 0.344 -1.600 997 HA VAL 136 HA VAL 136 -6.578 -0.452 0.897 998 HB VAL 136 HB VAL 136 -7.322 -1.602 -1.815 999 HG11 VAL 136 1HG1 VAL 136 -9.325 -2.413 -0.635 1000 HG12 VAL 136 2HG1 VAL 136 -8.710 -1.718 0.863 1001 HG13 VAL 136 3HG1 VAL 136 -7.839 -3.033 0.084 1002 HG21 VAL 136 3HG2 VAL 136 -8.762 0.567 -0.286 1003 HG22 VAL 136 1HG2 VAL 136 -9.349 -0.225 -1.749 1004 HG23 VAL 136 2HG2 VAL 136 -7.894 0.772 -1.808 1005 H PHE 137 H PHE 137 -6.005 -2.405 1.761 1006 HA PHE 137 HA PHE 137 -3.657 -3.694 0.560 1007 HB2 PHE 137 2HB PHE 137 -3.346 -2.619 2.740 1008 HB3 PHE 137 1HB PHE 137 -4.686 -3.536 3.401 1009 HD1 PHE 137 2HD PHE 137 -1.233 -3.768 2.122 1010 HD2 PHE 137 1HD PHE 137 -4.348 -5.701 4.282 1011 HE1 PHE 137 2HE PHE 137 0.362 -5.462 2.900 1012 HE2 PHE 137 1HE PHE 137 -2.755 -7.400 5.071 1013 HZ PHE 137 HZ PHE 137 -0.396 -7.285 4.380 1014 H LEU 138 H LEU 138 -4.122 -5.614 -0.410 1015 HA LEU 138 HA LEU 138 -6.259 -7.309 0.739 1016 HB2 LEU 138 2HB LEU 138 -5.655 -6.991 -2.212 1017 HB3 LEU 138 1HB LEU 138 -6.792 -8.115 -1.531 1018 HG LEU 138 HG LEU 138 -8.075 -6.454 -2.482 1019 HD11 LEU 138 1HD1 LEU 138 -9.245 -5.324 -0.689 1020 HD12 LEU 138 2HD1 LEU 138 -7.945 -5.765 0.416 1021 HD13 LEU 138 3HD1 LEU 138 -8.921 -7.022 -0.343 1022 HD21 LEU 138 3HD2 LEU 138 -6.373 -4.797 -2.911 1023 HD22 LEU 138 1HD2 LEU 138 -6.315 -4.377 -1.199 1024 HD23 LEU 138 2HD2 LEU 138 -7.768 -4.042 -2.139 1025 H ALA 139 H ALA 139 -5.928 -9.563 0.396 1026 HA ALA 139 HA ALA 139 -3.204 -10.417 0.190 1027 HB1 ALA 139 1HB ALA 139 -5.788 -11.999 0.099 1028 HB2 ALA 139 2HB ALA 139 -4.811 -11.699 1.535 1029 HB3 ALA 139 3HB ALA 139 -4.178 -12.707 0.231 1030 H GLY 140 H GLY 140 -2.153 -10.880 -1.647 1031 HA2 GLY 140 2HA GLY 140 -3.619 -10.213 -4.066 1032 HA3 GLY 140 1HA GLY 140 -1.880 -10.212 -3.895 1033 HA PRO 141 HA PRO 141 -1.728 -13.903 -6.197 1034 HB2 PRO 141 2HB PRO 141 0.365 -14.952 -4.389 1035 HB3 PRO 141 1HB PRO 141 0.455 -14.608 -6.119 1036 HG2 PRO 141 2HG PRO 141 1.674 -13.039 -4.339 1037 HG3 PRO 141 1HG PRO 141 0.897 -12.362 -5.782 1038 HD2 PRO 141 2HD PRO 141 -0.092 -12.442 -2.961 1039 HD3 PRO 141 1HD PRO 141 -0.162 -11.126 -4.155 1040 H ALA 142 H ALA 142 -2.323 -16.036 -6.213 1041 HA ALA 142 HA ALA 142 -3.281 -17.177 -3.670 1042 HB1 ALA 142 1HB ALA 142 -5.152 -16.501 -5.091 1043 HB2 ALA 142 2HB ALA 142 -5.064 -18.263 -5.022 1044 HB3 ALA 142 3HB ALA 142 -4.468 -17.402 -6.440 1045 H GLU 143 H GLU 143 -0.791 -17.291 -5.245 1046 HA GLU 143 HA GLU 143 -0.689 -20.059 -6.133 1047 HB2 GLU 143 2HB GLU 143 0.211 -18.189 -7.544 1048 HB3 GLU 143 1HB GLU 143 1.393 -17.870 -6.288 1049 HG2 GLU 143 2HG GLU 143 2.358 -20.077 -6.626 1050 HG3 GLU 143 1HG GLU 143 1.151 -20.419 -7.868 Start of MODEL 29 1 H1 MET 1 1HT MET 1 14.318 -19.405 29.774 2 H2 MET 1 2HT MET 1 14.691 -20.965 29.279 3 H3 MET 1 3HT MET 1 13.105 -20.389 29.160 4 HA MET 1 HA MET 1 15.411 -19.340 27.670 5 HB2 MET 1 2HB MET 1 13.016 -20.947 26.737 6 HB3 MET 1 1HB MET 1 14.241 -20.251 25.690 7 HG2 MET 1 2HG MET 1 14.686 -22.398 27.752 8 HG3 MET 1 1HG MET 1 14.604 -22.630 26.009 9 HE1 MET 1 2HE MET 1 18.367 -23.273 26.845 10 HE2 MET 1 3HE MET 1 16.898 -23.933 26.125 11 HE3 MET 1 1HE MET 1 16.983 -23.665 27.865 12 H SER 2 H SER 2 15.107 -17.264 27.270 13 HA SER 2 HA SER 2 12.358 -16.257 27.125 14 HB2 SER 2 2HB SER 2 14.893 -14.787 27.865 15 HB3 SER 2 1HB SER 2 13.254 -14.136 27.906 16 HG SER 2 HG SER 2 12.917 -16.094 29.344 17 H ASP 3 H ASP 3 11.805 -15.318 25.202 18 HA ASP 3 HA ASP 3 13.715 -15.340 23.067 19 HB2 ASP 3 2HB ASP 3 11.261 -15.824 22.700 20 HB3 ASP 3 1HB ASP 3 10.932 -14.127 23.032 21 H ASN 4 H ASN 4 15.240 -14.007 23.692 22 HA ASN 4 HA ASN 4 14.668 -11.265 24.408 23 HB2 ASN 4 2HB ASN 4 16.407 -12.556 25.623 24 HB3 ASN 4 1HB ASN 4 17.310 -12.714 24.124 25 HD21 ASN 4 1HD2 ASN 4 19.073 -11.700 24.969 26 HD22 ASN 4 2HD2 ASN 4 19.138 -10.004 25.249 27 H ASN 5 H ASN 5 13.762 -10.645 22.478 28 HA ASN 5 HA ASN 5 15.057 -10.846 19.952 29 HB2 ASN 5 2HB ASN 5 12.568 -10.586 20.325 30 HB3 ASN 5 1HB ASN 5 12.872 -8.909 20.756 31 HD21 ASN 5 1HD2 ASN 5 11.628 -8.161 19.021 32 HD22 ASN 5 2HD2 ASN 5 12.183 -8.248 17.392 33 H GLY 6 H GLY 6 16.257 -9.349 18.848 34 HA2 GLY 6 2HA GLY 6 17.781 -7.478 20.347 35 HA3 GLY 6 1HA GLY 6 17.801 -7.661 18.595 36 H THR 7 H THR 7 17.240 -5.510 20.928 37 HA THR 7 HA THR 7 14.855 -4.333 19.832 38 HB THR 7 HB THR 7 14.908 -4.422 22.213 39 HG1 THR 7 1HG THR 7 13.935 -2.618 21.658 40 HG21 THR 7 3HG2 THR 7 17.312 -4.579 22.623 41 HG22 THR 7 1HG2 THR 7 16.617 -3.284 23.598 42 HG23 THR 7 2HG2 THR 7 17.522 -2.896 22.135 43 HA PRO 8 HA PRO 8 17.409 -1.448 17.418 44 HB2 PRO 8 2HB PRO 8 14.971 -0.714 16.051 45 HB3 PRO 8 1HB PRO 8 16.340 -1.620 15.411 46 HG2 PRO 8 2HG PRO 8 13.847 -2.696 15.843 47 HG3 PRO 8 1HG PRO 8 15.345 -3.638 15.805 48 HD2 PRO 8 2HD PRO 8 13.765 -2.670 18.150 49 HD3 PRO 8 1HD PRO 8 14.624 -4.209 17.897 50 H GLU 9 H GLU 9 17.542 0.865 17.558 51 HA GLU 9 HA GLU 9 15.516 2.038 19.296 52 HB2 GLU 9 2HB GLU 9 18.343 3.013 18.765 53 HB3 GLU 9 1HB GLU 9 17.203 3.745 19.886 54 HG2 GLU 9 2HG GLU 9 17.167 1.630 21.171 55 HG3 GLU 9 1HG GLU 9 18.392 0.986 20.090 56 HA PRO 10 HA PRO 10 13.985 4.029 15.685 57 HB2 PRO 10 2HB PRO 10 12.319 5.817 16.876 58 HB3 PRO 10 1HB PRO 10 11.952 4.095 16.723 59 HG2 PRO 10 2HG PRO 10 13.040 5.599 19.064 60 HG3 PRO 10 1HG PRO 10 11.798 4.334 19.029 61 HD2 PRO 10 2HD PRO 10 14.358 3.842 19.743 62 HD3 PRO 10 1HD PRO 10 13.359 2.633 18.910 63 H GLN 11 H GLN 11 14.100 5.876 14.515 64 HA GLN 11 HA GLN 11 15.878 8.009 15.497 65 HB2 GLN 11 2HB GLN 11 15.408 6.988 12.683 66 HB3 GLN 11 1HB GLN 11 16.459 8.329 13.107 67 HG2 GLN 11 2HG GLN 11 16.833 5.505 14.060 68 HG3 GLN 11 1HG GLN 11 17.652 6.190 12.660 69 HE21 GLN 11 1HE2 GLN 11 18.748 5.119 15.099 70 HE22 GLN 11 2HE2 GLN 11 19.689 6.361 15.821 71 H VAL 12 H VAL 12 15.368 10.158 14.411 72 HA VAL 12 HA VAL 12 12.522 10.376 13.764 73 HB VAL 12 HB VAL 12 14.070 12.348 15.498 74 HG11 VAL 12 1HG1 VAL 12 11.893 13.455 15.829 75 HG12 VAL 12 2HG1 VAL 12 11.157 12.330 14.691 76 HG13 VAL 12 3HG1 VAL 12 12.391 13.460 14.137 77 HG21 VAL 12 3HG2 VAL 12 12.583 11.665 17.333 78 HG22 VAL 12 1HG2 VAL 12 13.563 10.316 16.755 79 HG23 VAL 12 2HG2 VAL 12 11.867 10.437 16.289 80 H GLU 13 H GLU 13 12.085 11.752 12.079 81 HA GLU 13 HA GLU 13 14.401 13.031 10.883 82 HB2 GLU 13 2HB GLU 13 12.648 11.032 9.800 83 HB3 GLU 13 1HB GLU 13 12.562 12.518 8.859 84 HG2 GLU 13 2HG GLU 13 15.136 11.112 9.566 85 HG3 GLU 13 1HG GLU 13 14.268 10.876 8.050 86 H THR 14 H THR 14 13.744 14.688 9.291 87 HA THR 14 HA THR 14 12.221 16.618 10.686 88 HB THR 14 HB THR 14 13.301 16.757 7.858 89 HG1 THR 14 1HG THR 14 15.012 16.548 9.224 90 HG21 THR 14 3HG2 THR 14 13.141 19.192 8.152 91 HG22 THR 14 1HG2 THR 14 12.412 18.960 9.742 92 HG23 THR 14 2HG2 THR 14 11.550 18.442 8.294 93 H TPO 15 H TPO 15 10.174 16.636 10.782 94 HA TPO 15 HA TPO 15 8.535 16.021 8.424 95 HB TPO 15 HB TPO 15 7.698 15.472 11.295 96 HG21 TPO 15 1HG2 TPO 15 6.006 14.054 10.228 97 HG22 TPO 15 2HG2 TPO 15 6.651 14.475 8.641 98 HG23 TPO 15 3HG2 TPO 15 5.898 15.716 9.642 99 H SER 16 H SER 16 7.003 17.646 8.045 100 HA SER 16 HA SER 16 7.014 19.891 9.868 101 HB2 SER 16 2HB SER 16 7.118 20.227 7.362 102 HB3 SER 16 1HB SER 16 5.530 19.488 7.239 103 HG SER 16 HG SER 16 6.038 21.982 7.570 104 H VAL 17 H VAL 17 5.024 20.582 10.873 105 HA VAL 17 HA VAL 17 3.323 18.330 11.486 106 HB VAL 17 HB VAL 17 3.120 21.172 12.547 107 HG11 VAL 17 1HG1 VAL 17 1.993 18.572 13.575 108 HG12 VAL 17 2HG1 VAL 17 1.085 19.871 12.806 109 HG13 VAL 17 3HG1 VAL 17 1.844 20.137 14.375 110 HG21 VAL 17 3HG2 VAL 17 5.303 20.227 13.103 111 HG22 VAL 17 1HG2 VAL 17 4.523 18.789 13.757 112 HG23 VAL 17 2HG2 VAL 17 4.293 20.350 14.542 113 H PHE 18 H PHE 18 1.652 17.921 10.333 114 HA PHE 18 HA PHE 18 0.741 19.817 8.351 115 HB2 PHE 18 2HB PHE 18 1.322 17.459 7.841 116 HB3 PHE 18 1HB PHE 18 -0.006 16.948 8.861 117 HD1 PHE 18 1HD PHE 18 0.734 18.986 5.844 118 HD2 PHE 18 2HD PHE 18 -2.073 16.552 7.913 119 HE1 PHE 18 1HE PHE 18 -0.719 18.976 3.858 120 HE2 PHE 18 2HE PHE 18 -3.532 16.550 5.938 121 HZ PHE 18 HZ PHE 18 -2.853 17.760 3.905 122 H ARG 19 H ARG 19 -1.275 20.715 8.345 123 HA ARG 19 HA ARG 19 -2.801 20.537 10.784 124 HB2 ARG 19 2HB ARG 19 -3.356 22.066 8.236 125 HB3 ARG 19 1HB ARG 19 -4.299 22.207 9.707 126 HG2 ARG 19 2HG ARG 19 -1.428 23.013 9.299 127 HG3 ARG 19 1HG ARG 19 -2.818 24.068 9.536 128 HD2 ARG 19 2HD ARG 19 -1.656 22.148 11.560 129 HD3 ARG 19 1HD ARG 19 -1.511 23.896 11.570 130 HE ARG 19 HE ARG 19 -4.212 22.823 11.658 131 HH11 ARG 19 1HH1 ARG 19 -1.502 24.193 13.485 132 HH12 ARG 19 2HH1 ARG 19 -2.466 24.528 14.859 133 HH21 ARG 19 1HH2 ARG 19 -5.480 23.274 13.576 134 HH22 ARG 19 2HH2 ARG 19 -4.722 23.991 14.917 135 H ALA 20 H ALA 20 -4.625 19.428 11.068 136 HA ALA 20 HA ALA 20 -5.151 17.473 9.033 137 HB1 ALA 20 1HB ALA 20 -6.380 16.241 10.684 138 HB2 ALA 20 2HB ALA 20 -6.348 17.609 11.791 139 HB3 ALA 20 3HB ALA 20 -4.852 16.768 11.388 140 H ASP 21 H ASP 21 -5.989 19.349 7.723 141 HA ASP 21 HA ASP 21 -8.736 20.058 8.206 142 HB2 ASP 21 2HB ASP 21 -7.384 21.606 6.894 143 HB3 ASP 21 1HB ASP 21 -6.966 20.346 5.750 144 H LEU 22 H LEU 22 -7.018 17.481 6.948 145 HA LEU 22 HA LEU 22 -8.896 16.329 5.245 146 HB2 LEU 22 2HB LEU 22 -7.663 14.167 5.663 147 HB3 LEU 22 1HB LEU 22 -6.716 15.497 5.051 148 HG LEU 22 HG LEU 22 -5.841 15.853 7.391 149 HD11 LEU 22 1HD1 LEU 22 -7.597 14.758 8.669 150 HD12 LEU 22 2HD1 LEU 22 -6.024 14.037 9.007 151 HD13 LEU 22 3HD1 LEU 22 -7.168 13.207 7.951 152 HD21 LEU 22 3HD2 LEU 22 -4.283 13.978 7.302 153 HD22 LEU 22 1HD2 LEU 22 -4.550 14.673 5.703 154 HD23 LEU 22 2HD2 LEU 22 -5.337 13.158 6.149 155 H LEU 23 H LEU 23 -9.156 16.730 8.611 156 HA LEU 23 HA LEU 23 -10.684 14.438 9.259 157 HB2 LEU 23 2HB LEU 23 -10.653 17.201 10.470 158 HB3 LEU 23 1HB LEU 23 -11.462 15.819 11.166 159 HG LEU 23 HG LEU 23 -8.486 16.109 10.779 160 HD11 LEU 23 1HD1 LEU 23 -8.413 16.243 13.220 161 HD12 LEU 23 2HD1 LEU 23 -10.177 16.206 13.272 162 HD13 LEU 23 3HD1 LEU 23 -9.347 17.565 12.521 163 HD21 LEU 23 3HD2 LEU 23 -9.166 13.772 10.601 164 HD22 LEU 23 1HD2 LEU 23 -10.092 13.913 12.097 165 HD23 LEU 23 2HD2 LEU 23 -8.337 14.054 12.132 166 H LYS 24 H LYS 24 -11.316 17.486 7.813 167 HA LYS 24 HA LYS 24 -14.112 17.668 7.933 168 HB2 LYS 24 2HB LYS 24 -12.501 19.455 7.437 169 HB3 LYS 24 1HB LYS 24 -12.056 18.646 5.963 170 HG2 LYS 24 2HG LYS 24 -14.246 19.131 5.034 171 HG3 LYS 24 1HG LYS 24 -14.713 19.925 6.549 172 HD2 LYS 24 2HD LYS 24 -12.848 21.480 6.340 173 HD3 LYS 24 1HD LYS 24 -12.340 20.697 4.853 174 HE2 LYS 24 2HE LYS 24 -14.422 21.399 3.788 175 HE3 LYS 24 1HE LYS 24 -14.925 22.164 5.298 176 HZ1 LYS 24 3HZ LYS 24 -13.941 23.788 3.789 177 HZ2 LYS 24 1HZ LYS 24 -12.523 22.879 3.722 178 HZ3 LYS 24 2HZ LYS 24 -12.989 23.604 5.159 179 H GLU 25 H GLU 25 -11.856 16.076 5.805 180 HA GLU 25 HA GLU 25 -13.825 15.164 3.898 181 HB2 GLU 25 2HB GLU 25 -11.496 15.668 3.242 182 HB3 GLU 25 1HB GLU 25 -10.920 14.419 4.330 183 HG2 GLU 25 2HG GLU 25 -10.840 13.535 2.150 184 HG3 GLU 25 1HG GLU 25 -12.201 12.764 2.959 185 H MET 26 H MET 26 -11.752 13.790 6.402 186 HA MET 26 HA MET 26 -12.357 11.088 6.237 187 HB2 MET 26 2HB MET 26 -10.476 12.103 7.518 188 HB3 MET 26 1HB MET 26 -11.633 12.642 8.718 189 HG2 MET 26 2HG MET 26 -10.554 10.674 9.539 190 HG3 MET 26 1HG MET 26 -12.229 10.284 9.166 191 HE1 MET 26 3HE MET 26 -8.590 9.015 6.608 192 HE2 MET 26 1HE MET 26 -8.481 9.908 8.121 193 HE3 MET 26 2HE MET 26 -9.139 10.687 6.679 194 H GLU 27 H GLU 27 -14.076 13.656 7.915 195 HA GLU 27 HA GLU 27 -15.662 12.052 9.560 196 HB2 GLU 27 2HB GLU 27 -15.356 14.495 9.833 197 HB3 GLU 27 1HB GLU 27 -16.355 14.749 8.412 198 HG2 GLU 27 2HG GLU 27 -18.281 13.920 9.494 199 HG3 GLU 27 1HG GLU 27 -17.337 13.299 10.846 200 H SER 28 H SER 28 -16.013 12.906 6.196 201 HA SER 28 HA SER 28 -18.723 12.102 5.966 202 HB2 SER 28 2HB SER 28 -17.610 13.630 4.354 203 HB3 SER 28 1HB SER 28 -16.544 12.323 3.853 204 HG SER 28 HG SER 28 -18.016 11.613 2.623 205 H SER 29 H SER 29 -15.620 10.521 5.797 206 HA SER 29 HA SER 29 -16.570 8.010 4.809 207 HB2 SER 29 2HB SER 29 -13.931 8.718 6.072 208 HB3 SER 29 1HB SER 29 -14.269 7.399 4.950 209 HG SER 29 HG SER 29 -14.069 8.748 3.343 210 H THR 30 H THR 30 -16.420 9.531 7.847 211 HA THR 30 HA THR 30 -15.612 7.472 9.545 212 HB THR 30 HB THR 30 -17.419 9.818 10.181 213 HG1 THR 30 1HG THR 30 -15.008 9.866 9.313 214 HG21 THR 30 3HG2 THR 30 -16.609 9.537 12.491 215 HG22 THR 30 1HG2 THR 30 -15.704 8.103 12.003 216 HG23 THR 30 2HG2 THR 30 -17.468 8.091 11.953 217 H GLY 31 H GLY 31 -16.520 5.685 10.209 218 HA2 GLY 31 2HA GLY 31 -19.050 5.196 11.080 219 HA3 GLY 31 1HA GLY 31 -19.051 4.784 9.358 220 H THR 32 H THR 32 -19.166 2.536 9.655 221 HA THR 32 HA THR 32 -16.725 1.411 10.790 222 HB THR 32 HB THR 32 -18.139 -0.741 10.882 223 HG1 THR 32 1HG THR 32 -20.383 0.867 11.156 224 HG21 THR 32 3HG2 THR 32 -19.134 -0.133 13.056 225 HG22 THR 32 1HG2 THR 32 -18.844 1.571 12.705 226 HG23 THR 32 2HG2 THR 32 -17.483 0.461 12.901 227 H ALA 33 H ALA 33 -15.535 0.037 9.505 228 HA ALA 33 HA ALA 33 -16.656 -0.485 6.865 229 HB1 ALA 33 1HB ALA 33 -15.009 1.289 6.644 230 HB2 ALA 33 2HB ALA 33 -14.425 -0.196 5.885 231 HB3 ALA 33 3HB ALA 33 -13.805 0.290 7.459 232 HA PRO 34 HA PRO 34 -15.816 -4.649 8.173 233 HB2 PRO 34 2HB PRO 34 -16.404 -5.796 5.747 234 HB3 PRO 34 1HB PRO 34 -17.616 -5.349 6.953 235 HG2 PRO 34 2HG PRO 34 -16.774 -3.920 4.480 236 HG3 PRO 34 1HG PRO 34 -18.385 -4.080 5.190 237 HD2 PRO 34 2HD PRO 34 -16.894 -1.847 5.400 238 HD3 PRO 34 1HD PRO 34 -18.049 -2.350 6.653 239 H ALA 35 H ALA 35 -14.354 -6.349 7.682 240 HA ALA 35 HA ALA 35 -12.145 -5.575 5.915 241 HB1 ALA 35 1HB ALA 35 -11.511 -5.123 8.235 242 HB2 ALA 35 2HB ALA 35 -10.596 -6.490 7.598 243 HB3 ALA 35 3HB ALA 35 -11.954 -6.770 8.687 244 H SER 36 H SER 36 -10.869 -7.497 5.258 245 HA SER 36 HA SER 36 -12.715 -9.610 4.683 246 HB2 SER 36 2HB SER 36 -9.831 -9.215 3.837 247 HB3 SER 36 1HB SER 36 -10.953 -10.405 3.164 248 HG SER 36 HG SER 36 -12.180 -8.105 3.075 249 H THR 37 H THR 37 -13.026 -10.999 6.228 250 HA THR 37 HA THR 37 -11.230 -11.421 8.342 251 HB THR 37 HB THR 37 -13.741 -12.948 7.619 252 HG1 THR 37 1HG THR 37 -13.284 -10.399 8.450 253 HG21 THR 37 3HG2 THR 37 -12.384 -14.039 9.373 254 HG22 THR 37 1HG2 THR 37 -13.869 -13.373 10.048 255 HG23 THR 37 2HG2 THR 37 -12.341 -12.526 10.281 256 H GLY 38 H GLY 38 -9.449 -12.024 7.087 257 HA2 GLY 38 2HA GLY 38 -8.935 -14.843 7.245 258 HA3 GLY 38 1HA GLY 38 -8.919 -14.232 5.587 259 H ALA 39 H ALA 39 -8.059 -12.243 8.255 260 HA ALA 39 HA ALA 39 -5.554 -11.545 7.075 261 HB1 ALA 39 1HB ALA 39 -6.913 -9.919 8.310 262 HB2 ALA 39 2HB ALA 39 -5.300 -10.078 9.008 263 HB3 ALA 39 3HB ALA 39 -6.678 -10.854 9.788 264 H GLU 40 H GLU 40 -6.628 -13.538 9.709 265 HA GLU 40 HA GLU 40 -3.889 -14.142 10.435 266 HB2 GLU 40 2HB GLU 40 -4.903 -15.483 12.256 267 HB3 GLU 40 1HB GLU 40 -5.415 -13.802 12.261 268 HG2 GLU 40 2HG GLU 40 -7.511 -14.481 11.157 269 HG3 GLU 40 1HG GLU 40 -6.998 -16.158 11.268 270 H ASN 41 H ASN 41 -5.728 -15.107 8.027 271 HA ASN 41 HA ASN 41 -5.306 -17.987 8.170 272 HB2 ASN 41 2HB ASN 41 -7.329 -16.992 7.023 273 HB3 ASN 41 1HB ASN 41 -6.252 -16.265 5.855 274 HD21 ASN 41 1HD2 ASN 41 -8.465 -18.120 5.482 275 HD22 ASN 41 2HD2 ASN 41 -7.812 -19.461 4.633 276 H LEU 42 H LEU 42 -4.112 -15.161 6.518 277 HA LEU 42 HA LEU 42 -2.402 -14.717 5.114 278 HB2 LEU 42 2HB LEU 42 -1.051 -16.720 6.908 279 HB3 LEU 42 1HB LEU 42 -0.197 -15.643 5.816 280 HG LEU 42 HG LEU 42 -1.880 -14.788 8.176 281 HD11 LEU 42 1HD1 LEU 42 0.253 -14.174 9.197 282 HD12 LEU 42 2HD1 LEU 42 1.107 -14.853 7.811 283 HD13 LEU 42 3HD1 LEU 42 0.167 -15.904 8.865 284 HD21 LEU 42 3HD2 LEU 42 -0.902 -12.565 7.751 285 HD22 LEU 42 1HD2 LEU 42 -1.894 -13.119 6.401 286 HD23 LEU 42 2HD2 LEU 42 -0.136 -13.196 6.296 287 HA PRO 43 HA PRO 43 -3.296 -18.543 2.624 288 HB2 PRO 43 2HB PRO 43 -4.191 -17.202 0.406 289 HB3 PRO 43 1HB PRO 43 -5.227 -17.728 1.738 290 HG2 PRO 43 2HG PRO 43 -4.053 -15.038 1.193 291 HG3 PRO 43 1HG PRO 43 -5.677 -15.448 1.786 292 HD2 PRO 43 2HD PRO 43 -3.703 -14.548 3.388 293 HD3 PRO 43 1HD PRO 43 -4.932 -15.698 3.951 294 H ALA 44 H ALA 44 -2.276 -15.665 0.803 295 HA ALA 44 HA ALA 44 -0.493 -17.203 -0.803 296 HB1 ALA 44 1HB ALA 44 -1.661 -15.234 -1.662 297 HB2 ALA 44 2HB ALA 44 0.087 -15.093 -1.854 298 HB3 ALA 44 3HB ALA 44 -0.731 -14.212 -0.564 299 H GLY 45 H GLY 45 -0.179 -15.772 2.237 300 HA2 GLY 45 2HA GLY 45 1.644 -15.752 3.686 301 HA3 GLY 45 1HA GLY 45 2.632 -16.397 2.380 302 H SER 46 H SER 46 1.150 -13.906 1.046 303 HA SER 46 HA SER 46 2.693 -11.737 2.051 304 HB2 SER 46 2HB SER 46 3.003 -12.763 -0.799 305 HB3 SER 46 1HB SER 46 3.688 -11.256 -0.184 306 HG SER 46 HG SER 46 4.325 -13.309 1.438 307 H ALA 47 H ALA 47 1.945 -9.729 0.547 308 HA ALA 47 HA ALA 47 -0.850 -10.112 -0.184 309 HB1 ALA 47 1HB ALA 47 -0.830 -9.637 2.204 310 HB2 ALA 47 2HB ALA 47 -1.573 -8.334 1.274 311 HB3 ALA 47 3HB ALA 47 0.070 -8.153 1.895 312 H LEU 48 H LEU 48 -1.737 -8.265 -1.310 313 HA LEU 48 HA LEU 48 0.304 -6.417 -2.192 314 HB2 LEU 48 2HB LEU 48 -0.492 -6.438 -4.500 315 HB3 LEU 48 1HB LEU 48 0.049 -8.016 -4.019 316 HG LEU 48 HG LEU 48 -1.767 -8.325 -5.447 317 HD11 LEU 48 1HD1 LEU 48 -3.497 -9.448 -4.202 318 HD12 LEU 48 2HD1 LEU 48 -2.851 -8.765 -2.711 319 HD13 LEU 48 3HD1 LEU 48 -1.868 -9.870 -3.675 320 HD21 LEU 48 3HD2 LEU 48 -3.378 -6.348 -3.849 321 HD22 LEU 48 1HD2 LEU 48 -4.003 -7.322 -5.179 322 HD23 LEU 48 2HD2 LEU 48 -2.746 -6.123 -5.477 323 H LEU 49 H LEU 49 -0.512 -4.397 -3.035 324 HA LEU 49 HA LEU 49 -3.165 -3.747 -2.055 325 HB2 LEU 49 2HB LEU 49 -2.461 -1.711 -0.979 326 HB3 LEU 49 1HB LEU 49 -1.581 -3.042 -0.278 327 HG LEU 49 HG LEU 49 -0.399 -1.119 -2.305 328 HD11 LEU 49 1HD1 LEU 49 -0.176 -1.139 0.701 329 HD12 LEU 49 2HD1 LEU 49 -1.027 0.060 -0.275 330 HD13 LEU 49 3HD1 LEU 49 0.725 -0.092 -0.394 331 HD21 LEU 49 3HD2 LEU 49 0.765 -3.279 -2.174 332 HD22 LEU 49 1HD2 LEU 49 0.896 -3.095 -0.426 333 HD23 LEU 49 2HD2 LEU 49 1.748 -1.983 -1.495 334 H VAL 50 H VAL 50 -4.083 -1.973 -3.077 335 HA VAL 50 HA VAL 50 -2.693 -1.172 -5.528 336 HB VAL 50 HB VAL 50 -4.430 -2.821 -6.099 337 HG11 VAL 50 1HG1 VAL 50 -6.402 -0.929 -4.840 338 HG12 VAL 50 2HG1 VAL 50 -5.963 -2.534 -4.260 339 HG13 VAL 50 3HG1 VAL 50 -6.819 -2.353 -5.793 340 HG21 VAL 50 3HG2 VAL 50 -5.682 -1.519 -7.780 341 HG22 VAL 50 1HG2 VAL 50 -3.971 -1.087 -7.741 342 HG23 VAL 50 2HG2 VAL 50 -5.164 -0.029 -6.989 343 H VAL 51 H VAL 51 -2.690 0.935 -6.000 344 HA VAL 51 HA VAL 51 -3.765 2.796 -4.030 345 HB VAL 51 HB VAL 51 -2.435 3.403 -6.692 346 HG11 VAL 51 1HG1 VAL 51 -3.638 5.286 -5.723 347 HG12 VAL 51 2HG1 VAL 51 -1.898 5.573 -5.683 348 HG13 VAL 51 3HG1 VAL 51 -2.746 5.094 -4.212 349 HG21 VAL 51 3HG2 VAL 51 -0.913 2.037 -5.370 350 HG22 VAL 51 1HG2 VAL 51 -1.115 3.117 -3.992 351 HG23 VAL 51 2HG2 VAL 51 -0.328 3.699 -5.458 352 H LYS 52 H LYS 52 -5.766 3.456 -4.105 353 HA LYS 52 HA LYS 52 -7.251 3.004 -6.548 354 HB2 LYS 52 2HB LYS 52 -8.189 2.200 -4.419 355 HB3 LYS 52 1HB LYS 52 -8.190 3.837 -3.794 356 HG2 LYS 52 2HG LYS 52 -10.423 3.120 -4.481 357 HG3 LYS 52 1HG LYS 52 -9.861 4.493 -5.436 358 HD2 LYS 52 2HD LYS 52 -9.266 2.987 -7.263 359 HD3 LYS 52 1HD LYS 52 -9.779 1.598 -6.299 360 HE2 LYS 52 2HE LYS 52 -12.053 2.430 -6.278 361 HE3 LYS 52 1HE LYS 52 -11.560 3.881 -7.148 362 HZ1 LYS 52 3HZ LYS 52 -12.568 2.217 -8.591 363 HZ2 LYS 52 1HZ LYS 52 -11.377 1.112 -8.200 364 HZ3 LYS 52 2HZ LYS 52 -10.984 2.514 -9.049 365 H ARG 53 H ARG 53 -6.051 5.590 -4.584 366 HA ARG 53 HA ARG 53 -6.933 7.466 -6.659 367 HB2 ARG 53 2HB ARG 53 -8.588 7.634 -4.834 368 HB3 ARG 53 1HB ARG 53 -7.293 7.988 -3.705 369 HG2 ARG 53 2HG ARG 53 -8.217 10.082 -4.188 370 HG3 ARG 53 1HG ARG 53 -6.775 10.009 -5.181 371 HD2 ARG 53 2HD ARG 53 -9.622 9.568 -6.078 372 HD3 ARG 53 1HD ARG 53 -8.628 10.963 -6.446 373 HE ARG 53 HE ARG 53 -8.568 8.332 -7.642 374 HH11 ARG 53 1HH1 ARG 53 -6.964 11.508 -7.456 375 HH12 ARG 53 2HH1 ARG 53 -6.190 11.380 -8.949 376 HH21 ARG 53 1HH2 ARG 53 -7.493 8.154 -9.719 377 HH22 ARG 53 2HH2 ARG 53 -6.478 9.391 -10.278 378 H GLY 54 H GLY 54 -5.422 8.862 -7.225 379 HA2 GLY 54 2HA GLY 54 -3.635 10.328 -6.031 380 HA3 GLY 54 1HA GLY 54 -2.857 8.748 -5.897 381 HA PRO 55 HA PRO 55 -2.089 10.704 -10.201 382 HB2 PRO 55 2HB PRO 55 0.706 10.402 -9.200 383 HB3 PRO 55 1HB PRO 55 0.011 11.667 -10.225 384 HG2 PRO 55 2HG PRO 55 0.467 12.209 -7.702 385 HG3 PRO 55 1HG PRO 55 -1.081 12.694 -8.426 386 HD2 PRO 55 2HD PRO 55 -0.483 10.328 -6.679 387 HD3 PRO 55 1HD PRO 55 -1.828 11.484 -6.569 388 H ASN 56 H ASN 56 -0.428 8.126 -8.335 389 HA ASN 56 HA ASN 56 -0.233 6.629 -10.828 390 HB2 ASN 56 2HB ASN 56 1.205 5.042 -9.503 391 HB3 ASN 56 1HB ASN 56 1.859 6.657 -9.719 392 HD21 ASN 56 1HD2 ASN 56 3.197 6.383 -8.001 393 HD22 ASN 56 2HD2 ASN 56 2.663 6.363 -6.364 394 H ALA 57 H ALA 57 -2.710 7.048 -9.252 395 HA ALA 57 HA ALA 57 -3.531 4.700 -7.970 396 HB1 ALA 57 1HB ALA 57 -5.796 5.457 -8.370 397 HB2 ALA 57 2HB ALA 57 -5.213 6.622 -9.559 398 HB3 ALA 57 3HB ALA 57 -4.777 6.802 -7.860 399 H GLY 58 H GLY 58 -4.446 2.869 -8.667 400 HA2 GLY 58 2HA GLY 58 -5.494 1.533 -10.343 401 HA3 GLY 58 1HA GLY 58 -4.635 2.469 -11.563 402 H ALA 59 H ALA 59 -2.247 2.332 -9.664 403 HA ALA 59 HA ALA 59 -1.205 -0.122 -10.808 404 HB1 ALA 59 1HB ALA 59 0.971 0.670 -10.018 405 HB2 ALA 59 2HB ALA 59 0.186 2.021 -9.196 406 HB3 ALA 59 3HB ALA 59 0.148 1.917 -10.955 407 H ARG 60 H ARG 60 -0.434 -1.834 -9.633 408 HA ARG 60 HA ARG 60 -1.269 -1.897 -6.820 409 HB2 ARG 60 2HB ARG 60 -1.374 -4.315 -6.995 410 HB3 ARG 60 1HB ARG 60 -2.342 -3.619 -8.285 411 HG2 ARG 60 2HG ARG 60 -0.633 -4.095 -9.899 412 HG3 ARG 60 1HG ARG 60 0.481 -4.607 -8.631 413 HD2 ARG 60 2HD ARG 60 -0.454 -6.537 -9.755 414 HD3 ARG 60 1HD ARG 60 -1.027 -6.464 -8.094 415 HE ARG 60 HE ARG 60 -2.792 -5.260 -10.027 416 HH11 ARG 60 1HH1 ARG 60 -1.895 -8.304 -8.421 417 HH12 ARG 60 2HH1 ARG 60 -3.423 -9.014 -8.673 418 HH21 ARG 60 1HH2 ARG 60 -4.877 -6.289 -10.352 419 HH22 ARG 60 2HH2 ARG 60 -5.131 -7.863 -9.755 420 H PHE 61 H PHE 61 0.140 -2.946 -5.358 421 HA PHE 61 HA PHE 61 2.880 -3.403 -6.243 422 HB2 PHE 61 2HB PHE 61 2.058 -1.771 -3.815 423 HB3 PHE 61 1HB PHE 61 3.702 -2.274 -4.176 424 HD1 PHE 61 1HD PHE 61 4.876 -1.299 -6.134 425 HD2 PHE 61 2HD PHE 61 1.085 0.137 -4.842 426 HE1 PHE 61 1HE PHE 61 5.231 0.779 -7.409 427 HE2 PHE 61 2HE PHE 61 1.431 2.213 -6.119 428 HZ PHE 61 HZ PHE 61 3.505 2.533 -7.404 429 H LEU 62 H LEU 62 3.838 -5.043 -5.038 430 HA LEU 62 HA LEU 62 2.042 -6.441 -3.174 431 HB2 LEU 62 2HB LEU 62 2.296 -7.529 -5.427 432 HB3 LEU 62 1HB LEU 62 4.004 -7.694 -5.120 433 HG LEU 62 HG LEU 62 1.954 -9.060 -3.357 434 HD11 LEU 62 1HD1 LEU 62 1.516 -9.715 -5.672 435 HD12 LEU 62 2HD1 LEU 62 2.235 -11.043 -4.765 436 HD13 LEU 62 3HD1 LEU 62 3.220 -10.109 -5.890 437 HD21 LEU 62 3HD2 LEU 62 3.788 -10.618 -2.941 438 HD22 LEU 62 1HD2 LEU 62 4.282 -8.972 -2.544 439 HD23 LEU 62 2HD2 LEU 62 4.825 -9.718 -4.047 440 H LEU 63 H LEU 63 2.889 -7.045 -1.233 441 HA LEU 63 HA LEU 63 5.479 -5.972 -0.523 442 HB2 LEU 63 2HB LEU 63 3.476 -7.550 1.118 443 HB3 LEU 63 1HB LEU 63 4.975 -6.923 1.752 444 HG LEU 63 HG LEU 63 3.245 -5.524 2.523 445 HD11 LEU 63 1HD1 LEU 63 3.775 -3.340 1.616 446 HD12 LEU 63 2HD1 LEU 63 4.593 -4.107 0.257 447 HD13 LEU 63 3HD1 LEU 63 5.214 -4.324 1.893 448 HD21 LEU 63 3HD2 LEU 63 1.505 -6.141 0.920 449 HD22 LEU 63 1HD2 LEU 63 2.298 -5.167 -0.315 450 HD23 LEU 63 2HD2 LEU 63 1.616 -4.391 1.119 451 H ASP 64 H ASP 64 7.130 -7.074 -1.249 452 HA ASP 64 HA ASP 64 7.099 -10.014 -1.076 453 HB2 ASP 64 2HB ASP 64 7.303 -9.299 -3.344 454 HB3 ASP 64 1HB ASP 64 8.541 -8.124 -2.922 455 H GLN 65 H GLN 65 8.575 -7.197 0.093 456 HA GLN 65 HA GLN 65 10.948 -8.689 0.874 457 HB2 GLN 65 2HB GLN 65 12.001 -6.447 1.151 458 HB3 GLN 65 1HB GLN 65 11.570 -6.841 -0.496 459 HG2 GLN 65 2HG GLN 65 9.466 -5.473 -0.123 460 HG3 GLN 65 1HG GLN 65 10.199 -4.946 1.387 461 HE21 GLN 65 1HE2 GLN 65 12.896 -5.012 0.110 462 HE22 GLN 65 2HE2 GLN 65 12.970 -3.581 -0.831 463 HA PRO 66 HA PRO 66 9.787 -8.664 5.139 464 HB2 PRO 66 2HB PRO 66 12.640 -8.007 5.672 465 HB3 PRO 66 1HB PRO 66 11.650 -9.320 6.317 466 HG2 PRO 66 2HG PRO 66 13.440 -9.838 4.447 467 HG3 PRO 66 1HG PRO 66 11.839 -10.590 4.373 468 HD2 PRO 66 2HD PRO 66 12.913 -8.275 2.808 469 HD3 PRO 66 1HD PRO 66 11.911 -9.648 2.279 470 H THR 67 H THR 67 11.454 -5.901 3.810 471 HA THR 67 HA THR 67 9.984 -4.277 5.720 472 HB THR 67 HB THR 67 12.928 -3.827 5.090 473 HG1 THR 67 1HG THR 67 11.577 -5.250 6.971 474 HG21 THR 67 3HG2 THR 67 11.659 -1.736 5.494 475 HG22 THR 67 1HG2 THR 67 12.781 -2.071 6.814 476 HG23 THR 67 2HG2 THR 67 11.058 -2.401 7.009 477 H THR 68 H THR 68 8.857 -2.859 4.619 478 HA THR 68 HA THR 68 9.704 -2.101 1.898 479 HB THR 68 HB THR 68 6.891 -2.426 2.975 480 HG1 THR 68 1HG THR 68 8.566 -4.301 2.366 481 HG21 THR 68 3HG2 THR 68 7.935 -2.036 0.174 482 HG22 THR 68 1HG2 THR 68 7.078 -0.824 1.125 483 HG23 THR 68 2HG2 THR 68 6.243 -2.293 0.609 484 H THR 69 H THR 69 9.790 0.115 1.566 485 HA THR 69 HA THR 69 8.902 1.789 3.791 486 HB THR 69 HB THR 69 10.849 2.517 1.579 487 HG1 THR 69 1HG THR 69 12.198 1.282 2.599 488 HG21 THR 69 3HG2 THR 69 9.864 4.416 2.847 489 HG22 THR 69 1HG2 THR 69 11.586 4.233 3.181 490 HG23 THR 69 2HG2 THR 69 10.397 3.666 4.351 491 H ALA 70 H ALA 70 7.566 3.567 3.412 492 HA ALA 70 HA ALA 70 6.323 3.747 0.748 493 HB1 ALA 70 1HB ALA 70 4.821 2.894 2.489 494 HB2 ALA 70 2HB ALA 70 4.317 4.490 1.935 495 HB3 ALA 70 3HB ALA 70 5.159 4.316 3.475 496 H GLY 71 H GLY 71 6.348 5.725 -0.170 497 HA2 GLY 71 2HA GLY 71 6.071 8.189 0.441 498 HA3 GLY 71 1HA GLY 71 7.560 7.915 1.351 499 H ARG 72 H ARG 72 8.874 9.315 0.030 500 HA ARG 72 HA ARG 72 9.295 8.019 -2.521 501 HB2 ARG 72 2HB ARG 72 10.029 10.148 -3.505 502 HB3 ARG 72 1HB ARG 72 8.340 10.152 -3.039 503 HG2 ARG 72 2HG ARG 72 8.884 11.415 -1.072 504 HG3 ARG 72 1HG ARG 72 10.592 11.407 -1.505 505 HD2 ARG 72 2HD ARG 72 8.382 12.610 -3.185 506 HD3 ARG 72 1HD ARG 72 9.553 13.523 -2.227 507 HE ARG 72 HE ARG 72 11.245 12.271 -3.683 508 HH11 ARG 72 1HH1 ARG 72 8.130 13.523 -4.848 509 HH12 ARG 72 2HH1 ARG 72 8.628 13.671 -6.461 510 HH21 ARG 72 1HH2 ARG 72 11.932 12.487 -5.890 511 HH22 ARG 72 2HH2 ARG 72 10.869 13.067 -7.086 512 H HIS 73 H HIS 73 10.986 7.145 -2.722 513 HA HIS 73 HA HIS 73 13.574 8.041 -2.076 514 HB2 HIS 73 2HB HIS 73 12.335 5.855 -0.384 515 HB3 HIS 73 1HB HIS 73 14.039 5.800 -0.755 516 HD1 HIS 73 1HD HIS 73 15.556 7.510 0.540 517 HD2 HIS 73 2HD HIS 73 11.538 7.615 1.582 518 HE1 HIS 73 1HE HIS 73 15.438 8.784 2.705 519 HA PRO 74 HA PRO 74 13.897 5.532 -5.674 520 HB2 PRO 74 2HB PRO 74 16.684 4.895 -4.957 521 HB3 PRO 74 1HB PRO 74 16.054 5.732 -6.380 522 HG2 PRO 74 2HG PRO 74 17.335 7.065 -4.457 523 HG3 PRO 74 1HG PRO 74 15.943 7.774 -5.295 524 HD2 PRO 74 2HD PRO 74 16.088 6.509 -2.587 525 HD3 PRO 74 1HD PRO 74 15.229 7.977 -3.107 526 H GLU 75 H GLU 75 14.764 4.048 -2.648 527 HA GLU 75 HA GLU 75 14.464 1.467 -3.963 528 HB2 GLU 75 2HB GLU 75 15.468 0.533 -1.779 529 HB3 GLU 75 1HB GLU 75 16.530 1.335 -2.920 530 HG2 GLU 75 2HG GLU 75 17.029 1.908 -0.588 531 HG3 GLU 75 1HG GLU 75 16.581 3.313 -1.542 532 H SER 76 H SER 76 12.515 3.528 -2.611 533 HA SER 76 HA SER 76 11.170 1.734 -0.800 534 HB2 SER 76 2HB SER 76 10.417 4.466 -1.842 535 HB3 SER 76 1HB SER 76 9.460 3.551 -0.670 536 HG SER 76 HG SER 76 12.201 3.946 -0.170 537 H ASP 77 H ASP 77 9.255 0.694 -1.164 538 HA ASP 77 HA ASP 77 9.019 -0.205 -3.878 539 HB2 ASP 77 2HB ASP 77 8.885 -1.700 -1.881 540 HB3 ASP 77 1HB ASP 77 7.326 -0.970 -1.510 541 H ILE 78 H ILE 78 6.813 1.395 -1.562 542 HA ILE 78 HA ILE 78 5.174 1.911 -3.885 543 HB ILE 78 HB ILE 78 3.261 2.430 -2.439 544 HG12 ILE 78 2HG1 ILE 78 4.976 1.586 -0.088 545 HG13 ILE 78 1HG1 ILE 78 4.535 3.253 -0.448 546 HG21 ILE 78 1HG2 ILE 78 3.539 0.158 -3.183 547 HG22 ILE 78 2HG2 ILE 78 2.852 0.175 -1.560 548 HG23 ILE 78 3HG2 ILE 78 4.558 -0.204 -1.791 549 HD11 ILE 78 3HD1 ILE 78 2.164 2.666 -0.184 550 HD12 ILE 78 1HD1 ILE 78 3.095 2.352 1.280 551 HD13 ILE 78 2HD1 ILE 78 2.632 1.018 0.226 552 H PHE 79 H PHE 79 5.714 3.560 -4.853 553 HA PHE 79 HA PHE 79 6.634 5.954 -3.518 554 HB2 PHE 79 2HB PHE 79 7.834 5.261 -5.511 555 HB3 PHE 79 1HB PHE 79 6.344 5.187 -6.438 556 HD1 PHE 79 1HD PHE 79 8.588 7.553 -4.646 557 HD2 PHE 79 2HD PHE 79 5.631 7.036 -7.664 558 HE1 PHE 79 1HE PHE 79 8.956 9.865 -5.407 559 HE2 PHE 79 2HE PHE 79 5.993 9.342 -8.423 560 HZ PHE 79 HZ PHE 79 7.658 10.762 -7.295 561 H LEU 80 H LEU 80 5.386 7.682 -3.198 562 HA LEU 80 HA LEU 80 2.775 7.902 -4.584 563 HB2 LEU 80 2HB LEU 80 3.399 8.612 -1.701 564 HB3 LEU 80 1HB LEU 80 1.883 8.904 -2.519 565 HG LEU 80 HG LEU 80 3.010 6.176 -1.876 566 HD11 LEU 80 1HD1 LEU 80 0.776 7.740 -0.593 567 HD12 LEU 80 2HD1 LEU 80 2.349 7.391 0.123 568 HD13 LEU 80 3HD1 LEU 80 1.226 6.078 -0.213 569 HD21 LEU 80 3HD2 LEU 80 0.784 5.368 -2.524 570 HD22 LEU 80 1HD2 LEU 80 1.594 6.162 -3.875 571 HD23 LEU 80 2HD2 LEU 80 0.322 7.003 -2.987 572 H ASP 81 H ASP 81 2.400 9.877 -5.380 573 HA ASP 81 HA ASP 81 4.326 11.972 -4.732 574 HB2 ASP 81 2HB ASP 81 5.050 11.018 -6.856 575 HB3 ASP 81 1HB ASP 81 3.419 11.149 -7.501 576 H ASP 82 H ASP 82 3.448 13.953 -4.575 577 HA ASP 82 HA ASP 82 0.962 14.725 -5.701 578 HB2 ASP 82 2HB ASP 82 0.239 13.312 -3.650 579 HB3 ASP 82 1HB ASP 82 1.070 14.496 -2.651 580 H VAL 83 H VAL 83 0.525 16.965 -4.291 581 HA VAL 83 HA VAL 83 3.026 18.412 -4.455 582 HB VAL 83 HB VAL 83 0.266 19.378 -3.615 583 HG11 VAL 83 1HG1 VAL 83 1.088 21.625 -4.162 584 HG12 VAL 83 2HG1 VAL 83 2.679 20.949 -4.524 585 HG13 VAL 83 3HG1 VAL 83 2.043 20.877 -2.879 586 HG21 VAL 83 3HG2 VAL 83 1.568 19.487 -6.333 587 HG22 VAL 83 1HG2 VAL 83 0.044 20.259 -5.897 588 HG23 VAL 83 2HG2 VAL 83 0.179 18.501 -5.874 589 H THR 84 H THR 84 0.934 16.914 -2.210 590 HA THR 84 HA THR 84 2.012 18.079 0.179 591 HB THR 84 HB THR 84 0.566 15.427 0.028 592 HG1 THR 84 1HG THR 84 -0.693 16.733 -1.293 593 HG21 THR 84 3HG2 THR 84 1.325 16.283 2.212 594 HG22 THR 84 1HG2 THR 84 -0.434 16.245 2.121 595 HG23 THR 84 2HG2 THR 84 0.424 17.773 1.935 596 H VAL 85 H VAL 85 4.219 17.700 0.272 597 HA VAL 85 HA VAL 85 5.193 15.034 -0.432 598 HB VAL 85 HB VAL 85 6.751 17.621 -0.151 599 HG11 VAL 85 1HG1 VAL 85 8.165 15.699 0.359 600 HG12 VAL 85 2HG1 VAL 85 8.615 16.405 -1.196 601 HG13 VAL 85 3HG1 VAL 85 7.670 14.919 -1.143 602 HG21 VAL 85 3HG2 VAL 85 6.955 17.503 -2.597 603 HG22 VAL 85 1HG2 VAL 85 5.275 17.639 -2.075 604 HG23 VAL 85 2HG2 VAL 85 5.909 16.082 -2.600 605 H SER 86 H SER 86 6.140 13.728 0.936 606 HA SER 86 HA SER 86 7.115 14.680 3.498 607 HB2 SER 86 2HB SER 86 4.849 13.503 3.754 608 HB3 SER 86 1HB SER 86 5.594 12.072 3.054 609 HG SER 86 HG SER 86 6.539 11.656 4.939 610 H ARG 87 H ARG 87 9.076 13.589 3.993 611 HA ARG 87 HA ARG 87 10.498 12.636 1.755 612 HB2 ARG 87 2HB ARG 87 12.353 12.182 3.330 613 HB3 ARG 87 1HB ARG 87 11.651 13.765 3.583 614 HG2 ARG 87 2HG ARG 87 10.351 12.751 5.494 615 HG3 ARG 87 1HG ARG 87 11.350 11.312 5.291 616 HD2 ARG 87 2HD ARG 87 12.335 12.658 6.985 617 HD3 ARG 87 1HD ARG 87 13.361 12.754 5.555 618 HE ARG 87 HE ARG 87 11.381 14.836 6.185 619 HH11 ARG 87 1HH1 ARG 87 14.804 14.014 5.926 620 HH12 ARG 87 2HH1 ARG 87 15.297 15.577 5.459 621 HH21 ARG 87 1HH2 ARG 87 12.057 17.007 5.589 622 HH22 ARG 87 2HH2 ARG 87 13.696 17.325 5.290 623 H ARG 88 H ARG 88 9.183 10.921 4.553 624 HA ARG 88 HA ARG 88 8.429 8.886 2.797 625 HB2 ARG 88 2HB ARG 88 9.327 6.971 4.045 626 HB3 ARG 88 1HB ARG 88 10.621 7.961 3.417 627 HG2 ARG 88 2HG ARG 88 11.073 8.823 5.635 628 HG3 ARG 88 1HG ARG 88 9.687 7.931 6.283 629 HD2 ARG 88 2HD ARG 88 10.720 5.825 5.471 630 HD3 ARG 88 1HD ARG 88 12.141 6.728 4.978 631 HE ARG 88 HE ARG 88 12.343 7.304 7.426 632 HH11 ARG 88 1HH1 ARG 88 10.932 4.206 6.307 633 HH12 ARG 88 2HH1 ARG 88 11.239 3.463 7.835 634 HH21 ARG 88 1HH2 ARG 88 12.731 6.097 9.424 635 HH22 ARG 88 2HH2 ARG 88 12.203 4.452 9.501 636 H HIS 89 H HIS 89 6.846 7.536 3.725 637 HA HIS 89 HA HIS 89 5.327 9.106 5.667 638 HB2 HIS 89 2HB HIS 89 4.212 8.880 3.572 639 HB3 HIS 89 1HB HIS 89 4.504 7.148 3.531 640 HD2 HIS 89 2HD HIS 89 2.373 9.639 5.743 641 HE1 HIS 89 1HE HIS 89 0.505 5.856 5.527 642 HE2 HIS 89 2HE HIS 89 0.270 8.221 6.339 643 H ALA 90 H ALA 90 6.090 5.709 4.892 644 HA ALA 90 HA ALA 90 5.796 5.044 7.705 645 HB1 ALA 90 1HB ALA 90 4.017 3.821 5.598 646 HB2 ALA 90 2HB ALA 90 3.505 4.920 6.880 647 HB3 ALA 90 3HB ALA 90 4.120 3.317 7.284 648 H GLU 91 H GLU 91 6.380 2.829 8.074 649 HA GLU 91 HA GLU 91 7.764 1.515 5.870 650 HB2 GLU 91 2HB GLU 91 9.511 0.708 7.486 651 HB3 GLU 91 1HB GLU 91 9.562 2.434 7.185 652 HG2 GLU 91 2HG GLU 91 8.444 2.845 9.314 653 HG3 GLU 91 1HG GLU 91 8.345 1.102 9.579 654 H PHE 92 H PHE 92 7.322 -0.548 5.650 655 HA PHE 92 HA PHE 92 5.435 -1.757 7.550 656 HB2 PHE 92 2HB PHE 92 6.044 -2.585 4.711 657 HB3 PHE 92 1HB PHE 92 4.778 -3.211 5.741 658 HD1 PHE 92 1HD PHE 92 2.816 -1.863 6.219 659 HD2 PHE 92 2HD PHE 92 5.772 -0.571 3.479 660 HE1 PHE 92 1HE PHE 92 1.215 -0.237 5.267 661 HE2 PHE 92 2HE PHE 92 4.208 1.042 2.523 662 HZ PHE 92 HZ PHE 92 1.918 1.222 3.416 663 H ARG 93 H ARG 93 6.277 -3.293 8.755 664 HA ARG 93 HA ARG 93 8.569 -4.739 7.660 665 HB2 ARG 93 2HB ARG 93 7.772 -4.333 10.535 666 HB3 ARG 93 1HB ARG 93 8.839 -5.640 10.062 667 HG2 ARG 93 2HG ARG 93 10.345 -3.909 9.039 668 HG3 ARG 93 1HG ARG 93 9.322 -2.685 9.796 669 HD2 ARG 93 2HD ARG 93 11.296 -3.197 11.169 670 HD3 ARG 93 1HD ARG 93 9.797 -3.614 11.993 671 HE ARG 93 HE ARG 93 10.344 -5.969 11.011 672 HH11 ARG 93 1HH1 ARG 93 12.839 -3.742 12.142 673 HH12 ARG 93 2HH1 ARG 93 13.796 -4.963 12.858 674 HH21 ARG 93 1HH2 ARG 93 11.670 -7.625 11.944 675 HH22 ARG 93 2HH2 ARG 93 13.131 -7.221 12.743 676 H ILE 94 H ILE 94 8.375 -6.702 7.105 677 HA ILE 94 HA ILE 94 5.915 -8.129 7.766 678 HB ILE 94 HB ILE 94 7.803 -8.498 5.396 679 HG12 ILE 94 2HG1 ILE 94 5.670 -7.988 4.037 680 HG13 ILE 94 1HG1 ILE 94 4.995 -7.412 5.551 681 HG21 ILE 94 1HG2 ILE 94 6.959 -10.647 6.102 682 HG22 ILE 94 2HG2 ILE 94 6.232 -10.184 4.562 683 HG23 ILE 94 3HG2 ILE 94 5.301 -10.041 6.055 684 HD11 ILE 94 3HD1 ILE 94 6.726 -5.686 5.661 685 HD12 ILE 94 1HD1 ILE 94 5.787 -5.577 4.171 686 HD13 ILE 94 2HD1 ILE 94 7.404 -6.278 4.146 687 H ASN 95 H ASN 95 6.255 -9.568 9.278 688 HA ASN 95 HA ASN 95 8.787 -11.029 9.255 689 HB2 ASN 95 2HB ASN 95 8.993 -9.228 10.935 690 HB3 ASN 95 1HB ASN 95 7.566 -9.849 11.751 691 HD21 ASN 95 1HD2 ASN 95 10.171 -11.846 10.326 692 HD22 ASN 95 2HD2 ASN 95 10.675 -12.459 11.857 693 H GLU 96 H GLU 96 8.358 -13.050 9.106 694 HA GLU 96 HA GLU 96 7.439 -15.070 9.212 695 HB2 GLU 96 2HB GLU 96 6.528 -14.123 11.935 696 HB3 GLU 96 1HB GLU 96 6.592 -15.804 11.414 697 HG2 GLU 96 2HG GLU 96 9.025 -15.544 11.049 698 HG3 GLU 96 1HG GLU 96 8.918 -13.923 11.716 699 H GLY 97 H GLY 97 6.018 -13.282 7.813 700 HA2 GLY 97 2HA GLY 97 4.075 -13.511 6.564 701 HA3 GLY 97 1HA GLY 97 3.433 -14.572 7.802 702 H GLU 98 H GLU 98 4.363 -12.054 9.626 703 HA GLU 98 HA GLU 98 1.721 -10.853 9.337 704 HB2 GLU 98 2HB GLU 98 3.651 -10.642 11.650 705 HB3 GLU 98 1HB GLU 98 2.013 -10.008 11.608 706 HG2 GLU 98 2HG GLU 98 1.218 -12.351 11.281 707 HG3 GLU 98 1HG GLU 98 2.867 -12.878 11.575 708 H PHE 99 H PHE 99 1.422 -8.800 8.967 709 HA PHE 99 HA PHE 99 3.717 -7.225 8.024 710 HB2 PHE 99 2HB PHE 99 0.760 -6.877 7.494 711 HB3 PHE 99 1HB PHE 99 2.073 -6.051 6.665 712 HD1 PHE 99 1HD PHE 99 0.243 -9.212 7.078 713 HD2 PHE 99 2HD PHE 99 3.168 -7.121 4.808 714 HE1 PHE 99 1HE PHE 99 0.127 -10.948 5.346 715 HE2 PHE 99 2HE PHE 99 3.067 -8.867 3.077 716 HZ PHE 99 HZ PHE 99 1.535 -10.780 3.350 717 H GLU 100 H GLU 100 4.206 -5.459 9.286 718 HA GLU 100 HA GLU 100 1.987 -4.224 10.690 719 HB2 GLU 100 2HB GLU 100 3.448 -3.697 12.626 720 HB3 GLU 100 1HB GLU 100 3.176 -5.415 12.416 721 HG2 GLU 100 2HG GLU 100 5.400 -5.602 11.368 722 HG3 GLU 100 1HG GLU 100 5.657 -3.885 11.681 723 H VAL 101 H VAL 101 1.893 -2.099 10.689 724 HA VAL 101 HA VAL 101 3.688 -0.733 8.824 725 HB VAL 101 HB VAL 101 1.082 0.294 9.930 726 HG11 VAL 101 1HG1 VAL 101 2.438 1.967 8.896 727 HG12 VAL 101 2HG1 VAL 101 1.017 1.659 7.901 728 HG13 VAL 101 3HG1 VAL 101 2.581 1.000 7.428 729 HG21 VAL 101 3HG2 VAL 101 -0.084 -0.527 7.940 730 HG22 VAL 101 1HG2 VAL 101 0.569 -1.846 8.907 731 HG23 VAL 101 2HG2 VAL 101 1.380 -1.358 7.421 732 H VAL 102 H VAL 102 5.094 0.670 9.727 733 HA VAL 102 HA VAL 102 4.361 1.837 12.289 734 HB VAL 102 HB VAL 102 7.151 1.414 11.144 735 HG11 VAL 102 1HG1 VAL 102 6.334 2.531 13.814 736 HG12 VAL 102 2HG1 VAL 102 7.077 3.429 12.492 737 HG13 VAL 102 3HG1 VAL 102 7.988 2.167 13.324 738 HG21 VAL 102 3HG2 VAL 102 6.147 -0.679 11.893 739 HG22 VAL 102 1HG2 VAL 102 5.788 0.043 13.462 740 HG23 VAL 102 2HG2 VAL 102 7.462 -0.203 12.965 741 H ASP 103 H ASP 103 4.108 4.032 12.220 742 HA ASP 103 HA ASP 103 4.370 5.443 9.686 743 HB2 ASP 103 2HB ASP 103 2.388 5.819 11.156 744 HB3 ASP 103 1HB ASP 103 3.447 6.381 12.434 745 H VAL 104 H VAL 104 5.917 6.857 9.191 746 HA VAL 104 HA VAL 104 7.751 7.821 11.265 747 HB VAL 104 HB VAL 104 9.682 7.440 9.652 748 HG11 VAL 104 1HG1 VAL 104 9.366 5.971 11.591 749 HG12 VAL 104 2HG1 VAL 104 9.969 5.056 10.209 750 HG13 VAL 104 3HG1 VAL 104 8.267 4.961 10.653 751 HG21 VAL 104 3HG2 VAL 104 7.701 5.613 8.308 752 HG22 VAL 104 1HG2 VAL 104 9.406 5.773 7.899 753 HG23 VAL 104 2HG2 VAL 104 8.296 7.129 7.640 754 H GLY 105 H GLY 105 5.537 8.747 9.418 755 HA2 GLY 105 2HA GLY 105 6.798 11.188 8.603 756 HA3 GLY 105 1HA GLY 105 6.194 10.187 7.284 757 H SER 106 H SER 106 5.253 11.503 10.374 758 HA SER 106 HA SER 106 2.463 11.304 9.930 759 HB2 SER 106 2HB SER 106 4.010 12.954 11.920 760 HB3 SER 106 1HB SER 106 2.301 12.523 12.027 761 HG SER 106 HG SER 106 3.801 10.303 11.610 762 H LEU 107 H LEU 107 3.998 12.830 7.921 763 HA LEU 107 HA LEU 107 2.968 15.533 8.037 764 HB2 LEU 107 2HB LEU 107 5.181 14.885 6.969 765 HB3 LEU 107 1HB LEU 107 4.284 14.019 5.755 766 HG LEU 107 HG LEU 107 5.194 16.180 4.962 767 HD11 LEU 107 1HD1 LEU 107 2.192 16.113 4.974 768 HD12 LEU 107 2HD1 LEU 107 3.257 15.328 3.809 769 HD13 LEU 107 3HD1 LEU 107 3.196 17.086 3.902 770 HD21 LEU 107 3HD2 LEU 107 5.044 17.403 7.044 771 HD22 LEU 107 1HD2 LEU 107 3.287 17.427 6.923 772 HD23 LEU 107 2HD2 LEU 107 4.266 18.282 5.727 773 H ASN 108 H ASN 108 2.503 12.519 6.218 774 HA ASN 108 HA ASN 108 -0.073 13.575 5.309 775 HB2 ASN 108 2HB ASN 108 1.411 11.053 4.507 776 HB3 ASN 108 1HB ASN 108 -0.218 11.438 3.970 777 HD21 ASN 108 1HD2 ASN 108 2.191 11.048 2.391 778 HD22 ASN 108 2HD2 ASN 108 2.392 12.532 1.509 779 H GLY 109 H GLY 109 1.326 11.498 7.633 780 HA2 GLY 109 2HA GLY 109 0.394 10.492 9.459 781 HA3 GLY 109 1HA GLY 109 -1.168 11.126 8.958 782 H THR 110 H THR 110 0.281 8.316 9.628 783 HA THR 110 HA THR 110 -0.853 6.842 7.435 784 HB THR 110 HB THR 110 0.071 5.838 10.148 785 HG1 THR 110 1HG THR 110 1.748 6.883 9.098 786 HG21 THR 110 3HG2 THR 110 -0.259 4.410 7.496 787 HG22 THR 110 1HG2 THR 110 -1.312 4.226 8.897 788 HG23 THR 110 2HG2 THR 110 0.366 3.693 8.983 789 H TYR 111 H TYR 111 -2.968 6.302 7.265 790 HA TYR 111 HA TYR 111 -4.508 5.977 9.730 791 HB2 TYR 111 2HB TYR 111 -5.459 7.140 7.094 792 HB3 TYR 111 1HB TYR 111 -6.492 6.824 8.484 793 HD1 TYR 111 2HD TYR 111 -6.263 8.242 10.506 794 HD2 TYR 111 1HD TYR 111 -4.101 9.100 6.950 795 HE1 TYR 111 2HE TYR 111 -5.794 10.508 11.340 796 HE2 TYR 111 1HE TYR 111 -3.620 11.366 7.778 797 HH TYR 111 HH TYR 111 -4.074 12.189 10.994 798 H VAL 112 H VAL 112 -5.362 4.021 9.847 799 HA VAL 112 HA VAL 112 -5.531 2.436 7.372 800 HB VAL 112 HB VAL 112 -4.969 1.367 10.169 801 HG11 VAL 112 1HG1 VAL 112 -5.017 -0.059 7.509 802 HG12 VAL 112 2HG1 VAL 112 -6.227 -0.196 8.782 803 HG13 VAL 112 3HG1 VAL 112 -4.586 -0.783 9.061 804 HG21 VAL 112 3HG2 VAL 112 -3.095 1.604 7.810 805 HG22 VAL 112 1HG2 VAL 112 -2.722 0.807 9.338 806 HG23 VAL 112 2HG2 VAL 112 -3.013 2.546 9.297 807 H ASN 113 H ASN 113 -7.564 1.985 6.872 808 HA ASN 113 HA ASN 113 -9.791 1.907 6.961 809 HB2 ASN 113 2HB ASN 113 -9.069 -0.236 8.190 810 HB3 ASN 113 1HB ASN 113 -9.434 0.604 9.686 811 HD21 ASN 113 1HD2 ASN 113 -10.568 -1.804 8.464 812 HD22 ASN 113 2HD2 ASN 113 -12.272 -1.556 8.334 813 H ARG 114 H ARG 114 -8.673 4.263 7.692 814 HA ARG 114 HA ARG 114 -9.334 6.355 8.244 815 HB2 ARG 114 2HB ARG 114 -11.860 5.050 9.247 816 HB3 ARG 114 1HB ARG 114 -11.638 6.781 8.999 817 HG2 ARG 114 2HG ARG 114 -11.533 6.562 6.687 818 HG3 ARG 114 1HG ARG 114 -11.183 4.837 6.779 819 HD2 ARG 114 2HD ARG 114 -13.487 4.611 7.826 820 HD3 ARG 114 1HD ARG 114 -13.789 6.246 7.221 821 HE ARG 114 HE ARG 114 -14.027 5.359 5.147 822 HH11 ARG 114 1HH1 ARG 114 -12.317 2.957 7.159 823 HH12 ARG 114 2HH1 ARG 114 -12.135 1.827 5.911 824 HH21 ARG 114 1HH2 ARG 114 -13.894 3.760 3.497 825 HH22 ARG 114 2HH2 ARG 114 -13.077 2.272 3.791 826 H GLU 115 H GLU 115 -8.279 4.232 10.320 827 HA GLU 115 HA GLU 115 -8.702 5.900 12.676 828 HB2 GLU 115 2HB GLU 115 -7.484 3.145 12.424 829 HB3 GLU 115 1HB GLU 115 -7.725 4.015 13.930 830 HG2 GLU 115 2HG GLU 115 -10.146 3.960 13.564 831 HG3 GLU 115 1HG GLU 115 -9.887 3.084 12.061 832 HA PRO 116 HA PRO 116 -4.613 7.616 11.955 833 HB2 PRO 116 2HB PRO 116 -4.282 8.685 14.465 834 HB3 PRO 116 1HB PRO 116 -5.220 9.468 13.193 835 HG2 PRO 116 2HG PRO 116 -6.161 7.830 15.505 836 HG3 PRO 116 1HG PRO 116 -6.864 9.303 14.816 837 HD2 PRO 116 2HD PRO 116 -7.870 6.855 14.326 838 HD3 PRO 116 1HD PRO 116 -7.920 8.154 13.115 839 H ARG 117 H ARG 117 -2.733 6.549 12.060 840 HA ARG 117 HA ARG 117 -2.330 4.825 14.382 841 HB2 ARG 117 2HB ARG 117 -1.850 4.115 11.506 842 HB3 ARG 117 1HB ARG 117 -1.238 3.179 12.863 843 HG2 ARG 117 2HG ARG 117 -4.132 3.769 12.352 844 HG3 ARG 117 1HG ARG 117 -3.301 2.278 11.883 845 HD2 ARG 117 2HD ARG 117 -2.818 1.795 14.210 846 HD3 ARG 117 1HD ARG 117 -3.546 3.306 14.727 847 HE ARG 117 HE ARG 117 -5.396 1.746 13.244 848 HH11 ARG 117 1HH1 ARG 117 -3.835 1.785 16.427 849 HH12 ARG 117 2HH1 ARG 117 -5.125 1.043 17.226 850 HH21 ARG 117 1HH2 ARG 117 -7.165 0.712 14.346 851 HH22 ARG 117 2HH2 ARG 117 -7.058 0.420 16.017 852 H ASN 118 H ASN 118 -0.309 4.115 14.671 853 HA ASN 118 HA ASN 118 1.932 5.824 13.817 854 HB2 ASN 118 2HB ASN 118 2.822 5.901 16.138 855 HB3 ASN 118 1HB ASN 118 1.200 6.583 16.053 856 HD21 ASN 118 1HD2 ASN 118 2.724 5.445 18.303 857 HD22 ASN 118 2HD2 ASN 118 1.717 4.223 18.980 858 H ALA 119 H ALA 119 0.810 2.927 15.343 859 HA ALA 119 HA ALA 119 2.613 1.325 13.724 860 HB1 ALA 119 1HB ALA 119 2.903 -0.190 15.697 861 HB2 ALA 119 2HB ALA 119 2.122 1.028 16.708 862 HB3 ALA 119 3HB ALA 119 3.668 1.378 15.939 863 H GLN 120 H GLN 120 1.442 -0.341 12.885 864 HA GLN 120 HA GLN 120 -1.061 -1.114 14.185 865 HB2 GLN 120 2HB GLN 120 -1.479 0.905 12.638 866 HB3 GLN 120 1HB GLN 120 -1.168 -0.189 11.308 867 HG2 GLN 120 2HG GLN 120 -3.321 -0.744 13.337 868 HG3 GLN 120 1HG GLN 120 -3.611 0.289 11.952 869 HE21 GLN 120 1HE2 GLN 120 -4.840 -2.209 12.722 870 HE22 GLN 120 2HE2 GLN 120 -4.518 -3.320 11.436 871 H VAL 121 H VAL 121 -1.225 -3.289 14.053 872 HA VAL 121 HA VAL 121 0.405 -4.748 12.170 873 HB VAL 121 HB VAL 121 -1.723 -5.789 14.089 874 HG11 VAL 121 1HG1 VAL 121 -0.647 -7.977 13.785 875 HG12 VAL 121 2HG1 VAL 121 0.457 -7.272 12.604 876 HG13 VAL 121 3HG1 VAL 121 -1.269 -7.357 12.256 877 HG21 VAL 121 3HG2 VAL 121 0.099 -4.678 15.261 878 HG22 VAL 121 1HG2 VAL 121 1.273 -5.663 14.391 879 HG23 VAL 121 2HG2 VAL 121 0.156 -6.423 15.523 880 H MET 122 H MET 122 -0.232 -5.345 10.180 881 HA MET 122 HA MET 122 -2.558 -3.969 9.276 882 HB2 MET 122 2HB MET 122 -0.121 -3.956 8.496 883 HB3 MET 122 1HB MET 122 -0.540 -5.471 7.725 884 HG2 MET 122 2HG MET 122 -2.218 -4.380 6.427 885 HG3 MET 122 1HG MET 122 -1.868 -2.851 7.244 886 HE1 MET 122 3HE MET 122 -1.205 -1.433 5.507 887 HE2 MET 122 1HE MET 122 -1.829 -2.638 4.383 888 HE3 MET 122 2HE MET 122 -0.265 -1.845 4.055 889 H GLN 123 H GLN 123 -4.227 -4.870 8.216 890 HA GLN 123 HA GLN 123 -4.377 -7.751 7.996 891 HB2 GLN 123 2HB GLN 123 -6.839 -7.427 8.709 892 HB3 GLN 123 1HB GLN 123 -5.591 -7.466 9.945 893 HG2 GLN 123 2HG GLN 123 -5.630 -5.057 10.107 894 HG3 GLN 123 1HG GLN 123 -6.798 -4.966 8.790 895 HE21 GLN 123 1HE2 GLN 123 -8.845 -5.432 9.166 896 HE22 GLN 123 2HE2 GLN 123 -9.546 -5.664 10.740 897 H THR 124 H THR 124 -6.047 -8.478 6.587 898 HA THR 124 HA THR 124 -5.844 -7.063 4.115 899 HB THR 124 HB THR 124 -5.320 -9.385 4.092 900 HG1 THR 124 1HG THR 124 -7.629 -9.835 2.774 901 HG21 THR 124 3HG2 THR 124 -8.129 -9.942 5.044 902 HG22 THR 124 1HG2 THR 124 -6.656 -10.128 5.993 903 HG23 THR 124 2HG2 THR 124 -6.931 -11.154 4.588 904 H GLY 125 H GLY 125 -7.385 -6.073 2.956 905 HA2 GLY 125 2HA GLY 125 -9.592 -5.803 2.171 906 HA3 GLY 125 1HA GLY 125 -10.197 -6.396 3.710 907 H ASP 126 H ASP 126 -8.122 -4.683 5.010 908 HA ASP 126 HA ASP 126 -9.714 -2.343 5.347 909 HB2 ASP 126 2HB ASP 126 -6.971 -3.081 6.402 910 HB3 ASP 126 1HB ASP 126 -7.835 -1.621 6.855 911 H GLU 127 H GLU 127 -9.052 -0.197 4.907 912 HA GLU 127 HA GLU 127 -7.204 -0.074 2.667 913 HB2 GLU 127 2HB GLU 127 -8.431 1.872 1.817 914 HB3 GLU 127 1HB GLU 127 -9.452 0.454 1.972 915 HG2 GLU 127 2HG GLU 127 -9.405 2.632 4.031 916 HG3 GLU 127 1HG GLU 127 -10.469 2.662 2.627 917 H ILE 128 H ILE 128 -5.879 1.669 2.458 918 HA ILE 128 HA ILE 128 -5.045 2.794 5.045 919 HB ILE 128 HB ILE 128 -3.450 2.734 2.478 920 HG12 ILE 128 2HG1 ILE 128 -3.281 0.645 4.661 921 HG13 ILE 128 1HG1 ILE 128 -4.129 0.397 3.138 922 HG21 ILE 128 1HG2 ILE 128 -1.538 2.931 4.013 923 HG22 ILE 128 2HG2 ILE 128 -2.646 2.918 5.382 924 HG23 ILE 128 3HG2 ILE 128 -2.688 4.251 4.232 925 HD11 ILE 128 3HD1 ILE 128 -1.194 0.987 3.445 926 HD12 ILE 128 1HD1 ILE 128 -2.043 0.740 1.919 927 HD13 ILE 128 2HD1 ILE 128 -1.913 -0.581 3.077 928 H GLN 129 H GLN 129 -5.364 4.912 5.223 929 HA GLN 129 HA GLN 129 -5.886 6.448 2.795 930 HB2 GLN 129 2HB GLN 129 -7.748 6.132 4.597 931 HB3 GLN 129 1HB GLN 129 -6.781 7.182 5.602 932 HG2 GLN 129 2HG GLN 129 -7.844 7.971 2.895 933 HG3 GLN 129 1HG GLN 129 -8.685 8.279 4.406 934 HE21 GLN 129 1HE2 GLN 129 -7.694 10.106 2.377 935 HE22 GLN 129 2HE2 GLN 129 -6.640 11.190 3.219 936 H ILE 130 H ILE 130 -4.449 7.956 2.392 937 HA ILE 130 HA ILE 130 -2.516 8.709 4.495 938 HB ILE 130 HB ILE 130 -1.876 8.042 1.600 939 HG12 ILE 130 2HG1 ILE 130 -1.122 6.511 4.103 940 HG13 ILE 130 1HG1 ILE 130 -2.371 6.037 2.959 941 HG21 ILE 130 1HG2 ILE 130 0.473 8.304 2.236 942 HG22 ILE 130 2HG2 ILE 130 -0.030 8.829 3.844 943 HG23 ILE 130 3HG2 ILE 130 -0.445 9.799 2.430 944 HD11 ILE 130 3HD1 ILE 130 -0.338 4.762 2.612 945 HD12 ILE 130 1HD1 ILE 130 0.578 6.253 2.382 946 HD13 ILE 130 2HD1 ILE 130 -0.665 5.793 1.220 947 H GLY 131 H GLY 131 -3.220 10.803 4.753 948 HA2 GLY 131 2HA GLY 131 -3.591 13.020 4.288 949 HA3 GLY 131 1HA GLY 131 -2.627 12.782 2.840 950 H LYS 132 H LYS 132 -3.683 12.079 0.956 951 HA LYS 132 HA LYS 132 -6.589 12.494 0.825 952 HB2 LYS 132 2HB LYS 132 -6.245 13.759 -1.319 953 HB3 LYS 132 1HB LYS 132 -5.672 14.592 0.115 954 HG2 LYS 132 2HG LYS 132 -3.368 13.810 -0.420 955 HG3 LYS 132 1HG LYS 132 -3.991 13.144 -1.928 956 HD2 LYS 132 2HD LYS 132 -4.243 16.050 -1.139 957 HD3 LYS 132 1HD LYS 132 -2.930 15.415 -2.118 958 HE2 LYS 132 2HE LYS 132 -5.861 15.256 -2.847 959 HE3 LYS 132 1HE LYS 132 -4.725 16.454 -3.460 960 HZ1 LYS 132 3HZ LYS 132 -3.387 14.552 -4.312 961 HZ2 LYS 132 1HZ LYS 132 -4.892 14.740 -5.077 962 HZ3 LYS 132 2HZ LYS 132 -4.698 13.531 -3.949 963 H PHE 133 H PHE 133 -4.342 10.332 0.548 964 HA PHE 133 HA PHE 133 -5.127 9.125 -2.008 965 HB2 PHE 133 2HB PHE 133 -2.915 8.512 -0.051 966 HB3 PHE 133 1HB PHE 133 -3.287 7.511 -1.436 967 HD1 PHE 133 1HD PHE 133 -2.151 10.903 -0.437 968 HD2 PHE 133 2HD PHE 133 -2.307 7.940 -3.478 969 HE1 PHE 133 1HE PHE 133 -0.507 12.171 -1.757 970 HE2 PHE 133 2HE PHE 133 -0.682 9.202 -4.804 971 HZ PHE 133 HZ PHE 133 0.228 11.301 -3.957 972 H ARG 134 H ARG 134 -5.919 7.025 -2.003 973 HA ARG 134 HA ARG 134 -6.099 5.665 0.495 974 HB2 ARG 134 2HB ARG 134 -8.436 4.734 -0.103 975 HB3 ARG 134 1HB ARG 134 -8.341 6.327 0.606 976 HG2 ARG 134 2HG ARG 134 -8.526 6.007 -2.366 977 HG3 ARG 134 1HG ARG 134 -9.970 5.860 -1.357 978 HD2 ARG 134 2HD ARG 134 -9.476 8.084 -0.395 979 HD3 ARG 134 1HD ARG 134 -8.103 8.230 -1.485 980 HE ARG 134 HE ARG 134 -10.111 7.770 -3.185 981 HH11 ARG 134 1HH1 ARG 134 -9.982 10.024 -0.434 982 HH12 ARG 134 2HH1 ARG 134 -10.928 11.200 -1.206 983 HH21 ARG 134 1HH2 ARG 134 -11.391 9.454 -4.220 984 HH22 ARG 134 2HH2 ARG 134 -11.711 10.893 -3.370 985 H LEU 135 H LEU 135 -5.471 3.754 0.457 986 HA LEU 135 HA LEU 135 -5.102 2.394 -2.121 987 HB2 LEU 135 2HB LEU 135 -3.284 2.326 0.316 988 HB3 LEU 135 1HB LEU 135 -3.090 1.329 -1.100 989 HG LEU 135 HG LEU 135 -2.673 3.476 -2.411 990 HD11 LEU 135 1HD1 LEU 135 -2.425 4.671 0.339 991 HD12 LEU 135 2HD1 LEU 135 -3.635 5.081 -0.877 992 HD13 LEU 135 3HD1 LEU 135 -1.931 5.434 -1.173 993 HD21 LEU 135 3HD2 LEU 135 -0.356 3.659 -1.654 994 HD22 LEU 135 1HD2 LEU 135 -0.877 1.978 -1.773 995 HD23 LEU 135 2HD2 LEU 135 -0.766 2.757 -0.196 996 H VAL 136 H VAL 136 -5.613 0.197 -2.093 997 HA VAL 136 HA VAL 136 -6.972 -0.669 0.381 998 HB VAL 136 HB VAL 136 -7.473 -1.645 -2.455 999 HG11 VAL 136 1HG1 VAL 136 -8.980 -2.217 0.096 1000 HG12 VAL 136 2HG1 VAL 136 -7.960 -3.350 -0.784 1001 HG13 VAL 136 3HG1 VAL 136 -9.452 -2.755 -1.515 1002 HG21 VAL 136 3HG2 VAL 136 -9.617 -0.438 -2.319 1003 HG22 VAL 136 1HG2 VAL 136 -8.241 0.659 -2.197 1004 HG23 VAL 136 2HG2 VAL 136 -9.143 0.210 -0.750 1005 H PHE 137 H PHE 137 -6.101 -2.326 1.431 1006 HA PHE 137 HA PHE 137 -3.872 -3.756 0.188 1007 HB2 PHE 137 2HB PHE 137 -3.296 -2.508 2.180 1008 HB3 PHE 137 1HB PHE 137 -4.638 -3.208 3.060 1009 HD1 PHE 137 2HD PHE 137 -1.328 -3.932 1.580 1010 HD2 PHE 137 1HD PHE 137 -4.411 -5.266 4.187 1011 HE1 PHE 137 2HE PHE 137 0.166 -5.670 2.468 1012 HE2 PHE 137 1HE PHE 137 -2.922 -7.003 5.074 1013 HZ PHE 137 HZ PHE 137 -0.630 -7.207 4.215 1014 H LEU 138 H LEU 138 -4.131 -5.880 -0.274 1015 HA LEU 138 HA LEU 138 -6.043 -7.367 1.291 1016 HB2 LEU 138 2HB LEU 138 -7.042 -8.458 -0.684 1017 HB3 LEU 138 1HB LEU 138 -7.410 -6.756 -0.575 1018 HG LEU 138 HG LEU 138 -5.273 -7.830 -2.436 1019 HD11 LEU 138 1HD1 LEU 138 -7.410 -8.895 -2.979 1020 HD12 LEU 138 2HD1 LEU 138 -6.969 -7.711 -4.208 1021 HD13 LEU 138 3HD1 LEU 138 -8.195 -7.317 -3.003 1022 HD21 LEU 138 3HD2 LEU 138 -5.196 -5.412 -1.966 1023 HD22 LEU 138 1HD2 LEU 138 -6.887 -5.265 -2.445 1024 HD23 LEU 138 2HD2 LEU 138 -5.671 -5.724 -3.634 1025 H ALA 139 H ALA 139 -5.437 -9.287 1.810 1026 HA ALA 139 HA ALA 139 -3.041 -10.409 0.521 1027 HB1 ALA 139 1HB ALA 139 -4.170 -10.947 3.282 1028 HB2 ALA 139 2HB ALA 139 -2.789 -9.912 2.945 1029 HB3 ALA 139 3HB ALA 139 -2.693 -11.643 2.615 1030 H GLY 140 H GLY 140 -3.567 -12.042 -0.791 1031 HA2 GLY 140 2HA GLY 140 -5.360 -14.087 0.026 1032 HA3 GLY 140 1HA GLY 140 -6.170 -12.940 -1.006 1033 HA PRO 141 HA PRO 141 -4.987 -14.940 -4.633 1034 HB2 PRO 141 2HB PRO 141 -3.518 -12.679 -5.776 1035 HB3 PRO 141 1HB PRO 141 -4.973 -13.477 -6.368 1036 HG2 PRO 141 2HG PRO 141 -5.083 -11.020 -5.274 1037 HG3 PRO 141 1HG PRO 141 -6.391 -12.195 -5.066 1038 HD2 PRO 141 2HD PRO 141 -4.248 -11.384 -3.153 1039 HD3 PRO 141 1HD PRO 141 -5.949 -11.774 -2.839 1040 H ALA 142 H ALA 142 -3.498 -16.161 -5.486 1041 HA ALA 142 HA ALA 142 -0.705 -15.739 -4.795 1042 HB1 ALA 142 1HB ALA 142 -1.588 -17.331 -3.159 1043 HB2 ALA 142 2HB ALA 142 -0.474 -18.138 -4.266 1044 HB3 ALA 142 3HB ALA 142 -2.213 -18.341 -4.460 1045 H GLU 143 H GLU 143 -0.748 -14.976 -6.879 1046 HA GLU 143 HA GLU 143 -1.164 -16.879 -9.035 1047 HB2 GLU 143 2HB GLU 143 -2.136 -14.555 -9.063 1048 HB3 GLU 143 1HB GLU 143 -0.497 -13.937 -9.138 1049 HG2 GLU 143 2HG GLU 143 -0.177 -15.113 -11.260 1050 HG3 GLU 143 1HG GLU 143 -1.852 -15.663 -11.184 Start of MODEL 30 1 H1 MET 1 1HT MET 1 21.428 -4.860 -13.697 2 H2 MET 1 2HT MET 1 21.830 -4.887 -15.338 3 H3 MET 1 3HT MET 1 21.159 -3.506 -14.615 4 HA MET 1 HA MET 1 23.692 -4.653 -13.721 5 HB2 MET 1 2HB MET 1 24.885 -2.847 -14.897 6 HB3 MET 1 1HB MET 1 24.000 -3.824 -16.046 7 HG2 MET 1 2HG MET 1 22.277 -2.092 -16.197 8 HG3 MET 1 1HG MET 1 23.140 -1.126 -15.007 9 HE1 MET 1 2HE MET 1 23.153 0.977 -16.620 10 HE2 MET 1 3HE MET 1 22.238 0.046 -17.807 11 HE3 MET 1 1HE MET 1 23.691 0.919 -18.299 12 H SER 2 H SER 2 24.087 -3.989 -11.735 13 HA SER 2 HA SER 2 22.670 -1.605 -10.828 14 HB2 SER 2 2HB SER 2 23.560 -4.023 -9.246 15 HB3 SER 2 1HB SER 2 22.722 -2.621 -8.572 16 HG SER 2 HG SER 2 21.661 -4.061 -10.730 17 H ASP 3 H ASP 3 23.772 -0.302 -9.269 18 HA ASP 3 HA ASP 3 26.583 0.024 -9.907 19 HB2 ASP 3 2HB ASP 3 26.422 2.128 -8.789 20 HB3 ASP 3 1HB ASP 3 24.933 1.958 -9.709 21 H ASN 4 H ASN 4 27.961 0.645 -7.906 22 HA ASN 4 HA ASN 4 27.439 -1.349 -5.830 23 HB2 ASN 4 2HB ASN 4 30.072 -0.396 -6.948 24 HB3 ASN 4 1HB ASN 4 29.948 -1.286 -5.443 25 HD21 ASN 4 1HD2 ASN 4 31.168 -2.957 -6.208 26 HD22 ASN 4 2HD2 ASN 4 30.610 -4.095 -7.385 27 H ASN 5 H ASN 5 26.629 -0.308 -4.177 28 HA ASN 5 HA ASN 5 28.133 1.972 -3.132 29 HB2 ASN 5 2HB ASN 5 26.025 3.017 -2.342 30 HB3 ASN 5 1HB ASN 5 26.045 2.907 -4.090 31 HD21 ASN 5 1HD2 ASN 5 24.554 1.623 -5.128 32 HD22 ASN 5 2HD2 ASN 5 23.230 0.879 -4.318 33 H GLY 6 H GLY 6 28.370 1.955 -0.926 34 HA2 GLY 6 2HA GLY 6 27.695 -0.573 0.311 35 HA3 GLY 6 1HA GLY 6 28.719 0.680 1.013 36 H THR 7 H THR 7 27.524 2.742 1.458 37 HA THR 7 HA THR 7 25.074 2.077 2.869 38 HB THR 7 HB THR 7 25.480 4.420 3.838 39 HG1 THR 7 1HG THR 7 28.117 3.965 2.883 40 HG21 THR 7 3HG2 THR 7 25.933 2.368 5.106 41 HG22 THR 7 1HG2 THR 7 27.160 3.592 5.438 42 HG23 THR 7 2HG2 THR 7 27.522 2.251 4.350 43 HA PRO 8 HA PRO 8 22.874 4.347 -0.358 44 HB2 PRO 8 2HB PRO 8 20.639 4.456 1.548 45 HB3 PRO 8 1HB PRO 8 20.700 3.687 -0.040 46 HG2 PRO 8 2HG PRO 8 20.609 2.256 2.242 47 HG3 PRO 8 1HG PRO 8 21.484 1.710 0.798 48 HD2 PRO 8 2HD PRO 8 22.559 2.928 3.307 49 HD3 PRO 8 1HD PRO 8 23.209 1.610 2.304 50 H GLU 9 H GLU 9 22.984 6.488 -0.623 51 HA GLU 9 HA GLU 9 22.992 8.205 1.741 52 HB2 GLU 9 2HB GLU 9 23.805 8.728 -1.115 53 HB3 GLU 9 1HB GLU 9 23.906 9.894 0.195 54 HG2 GLU 9 2HG GLU 9 25.569 8.591 1.304 55 HG3 GLU 9 1HG GLU 9 25.371 7.275 0.147 56 HA PRO 10 HA PRO 10 18.900 9.153 0.231 57 HB2 PRO 10 2HB PRO 10 17.979 10.359 2.414 58 HB3 PRO 10 1HB PRO 10 18.286 8.615 2.408 59 HG2 PRO 10 2HG PRO 10 19.958 10.827 3.530 60 HG3 PRO 10 1HG PRO 10 19.592 9.240 4.227 61 HD2 PRO 10 2HD PRO 10 21.917 9.856 2.879 62 HD3 PRO 10 1HD PRO 10 21.262 8.215 3.057 63 H GLN 11 H GLN 11 17.804 10.969 -0.449 64 HA GLN 11 HA GLN 11 19.290 13.474 -0.520 65 HB2 GLN 11 2HB GLN 11 18.124 12.549 -2.572 66 HB3 GLN 11 1HB GLN 11 16.603 12.743 -1.713 67 HG2 GLN 11 2HG GLN 11 17.108 15.184 -1.531 68 HG3 GLN 11 1HG GLN 11 18.487 14.915 -2.594 69 HE21 GLN 11 1HE2 GLN 11 17.674 16.213 -4.167 70 HE22 GLN 11 2HE2 GLN 11 16.331 15.789 -5.156 71 H VAL 12 H VAL 12 18.214 15.410 0.343 72 HA VAL 12 HA VAL 12 16.291 14.652 2.409 73 HB VAL 12 HB VAL 12 18.037 17.143 2.323 74 HG11 VAL 12 1HG1 VAL 12 15.955 17.505 3.532 75 HG12 VAL 12 2HG1 VAL 12 17.308 17.439 4.665 76 HG13 VAL 12 3HG1 VAL 12 16.237 16.052 4.488 77 HG21 VAL 12 3HG2 VAL 12 18.332 14.647 3.997 78 HG22 VAL 12 1HG2 VAL 12 19.306 16.109 4.158 79 HG23 VAL 12 2HG2 VAL 12 19.395 15.148 2.684 80 H GLU 13 H GLU 13 14.378 15.294 2.142 81 HA GLU 13 HA GLU 13 13.784 17.401 0.235 82 HB2 GLU 13 2HB GLU 13 13.475 15.238 -0.883 83 HB3 GLU 13 1HB GLU 13 12.518 14.642 0.453 84 HG2 GLU 13 2HG GLU 13 11.174 15.180 -1.512 85 HG3 GLU 13 1HG GLU 13 10.729 16.141 -0.109 86 H THR 14 H THR 14 11.481 18.027 0.596 87 HA THR 14 HA THR 14 11.376 19.110 3.192 88 HB THR 14 HB THR 14 9.241 19.161 1.066 89 HG1 THR 14 1HG THR 14 11.204 19.736 0.121 90 HG21 THR 14 3HG2 THR 14 10.057 21.174 3.185 91 HG22 THR 14 1HG2 THR 14 8.634 20.135 3.264 92 HG23 THR 14 2HG2 THR 14 8.749 21.372 2.019 93 H TPO 15 H TPO 15 10.335 18.420 4.951 94 HA TPO 15 HA TPO 15 8.201 16.418 4.761 95 HB TPO 15 HB TPO 15 9.960 17.432 7.012 96 HG21 TPO 15 1HG2 TPO 15 7.571 15.609 7.386 97 HG22 TPO 15 2HG2 TPO 15 7.701 17.270 7.952 98 HG23 TPO 15 3HG2 TPO 15 8.755 16.029 8.623 99 H SER 16 H SER 16 6.211 17.368 4.617 100 HA SER 16 HA SER 16 5.814 19.969 5.887 101 HB2 SER 16 2HB SER 16 4.126 18.537 3.829 102 HB3 SER 16 1HB SER 16 3.952 20.211 4.365 103 HG SER 16 HG SER 16 6.015 20.620 3.508 104 H VAL 17 H VAL 17 5.059 19.657 7.919 105 HA VAL 17 HA VAL 17 3.118 17.529 8.428 106 HB VAL 17 HB VAL 17 4.447 19.441 10.382 107 HG11 VAL 17 1HG1 VAL 17 2.344 18.572 11.219 108 HG12 VAL 17 2HG1 VAL 17 3.692 17.874 12.116 109 HG13 VAL 17 3HG1 VAL 17 2.867 16.921 10.884 110 HG21 VAL 17 3HG2 VAL 17 5.875 17.552 11.047 111 HG22 VAL 17 1HG2 VAL 17 6.127 18.012 9.363 112 HG23 VAL 17 2HG2 VAL 17 5.172 16.580 9.751 113 H PHE 18 H PHE 18 1.080 18.111 8.143 114 HA PHE 18 HA PHE 18 0.466 20.950 8.280 115 HB2 PHE 18 2HB PHE 18 -1.142 18.686 7.126 116 HB3 PHE 18 1HB PHE 18 -1.695 20.350 7.216 117 HD1 PHE 18 1HD PHE 18 0.858 21.751 6.440 118 HD2 PHE 18 2HD PHE 18 -1.080 18.298 4.851 119 HE1 PHE 18 1HE PHE 18 1.849 22.207 4.247 120 HE2 PHE 18 2HE PHE 18 -0.090 18.760 2.669 121 HZ PHE 18 HZ PHE 18 1.383 20.709 2.355 122 H ARG 19 H ARG 19 -0.831 21.842 9.675 123 HA ARG 19 HA ARG 19 -2.145 20.133 11.636 124 HB2 ARG 19 2HB ARG 19 -2.046 23.169 11.458 125 HB3 ARG 19 1HB ARG 19 -2.662 22.245 12.820 126 HG2 ARG 19 2HG ARG 19 0.191 22.311 11.861 127 HG3 ARG 19 1HG ARG 19 -0.450 23.105 13.302 128 HD2 ARG 19 2HD ARG 19 -0.912 21.002 14.342 129 HD3 ARG 19 1HD ARG 19 -0.567 20.124 12.855 130 HE ARG 19 HE ARG 19 1.682 21.556 13.494 131 HH11 ARG 19 1HH1 ARG 19 -0.198 18.882 14.916 132 HH12 ARG 19 2HH1 ARG 19 1.142 18.151 15.649 133 HH21 ARG 19 1HH2 ARG 19 3.528 20.503 14.501 134 HH22 ARG 19 2HH2 ARG 19 3.296 19.072 15.400 135 H ALA 20 H ALA 20 -3.685 19.230 10.592 136 HA ALA 20 HA ALA 20 -5.124 20.771 8.570 137 HB1 ALA 20 1HB ALA 20 -3.973 18.873 7.717 138 HB2 ALA 20 2HB ALA 20 -5.710 18.523 7.665 139 HB3 ALA 20 3HB ALA 20 -4.693 17.839 8.932 140 H ASP 21 H ASP 21 -7.318 20.074 8.146 141 HA ASP 21 HA ASP 21 -8.952 20.272 10.525 142 HB2 ASP 21 2HB ASP 21 -9.362 21.661 8.515 143 HB3 ASP 21 1HB ASP 21 -9.640 20.209 7.570 144 H LEU 22 H LEU 22 -7.517 17.840 8.922 145 HA LEU 22 HA LEU 22 -9.573 15.974 8.578 146 HB2 LEU 22 2HB LEU 22 -7.856 14.257 8.305 147 HB3 LEU 22 1HB LEU 22 -7.516 15.677 7.358 148 HG LEU 22 HG LEU 22 -5.827 16.286 9.197 149 HD11 LEU 22 1HD1 LEU 22 -4.908 14.421 10.489 150 HD12 LEU 22 2HD1 LEU 22 -6.217 13.386 9.912 151 HD13 LEU 22 3HD1 LEU 22 -6.577 14.770 10.941 152 HD21 LEU 22 3HD2 LEU 22 -4.118 14.816 8.220 153 HD22 LEU 22 1HD2 LEU 22 -5.175 15.518 6.991 154 HD23 LEU 22 2HD2 LEU 22 -5.396 13.842 7.495 155 H LEU 23 H LEU 23 -8.189 17.077 11.463 156 HA LEU 23 HA LEU 23 -8.675 14.751 12.939 157 HB2 LEU 23 2HB LEU 23 -8.558 16.297 14.921 158 HB3 LEU 23 1HB LEU 23 -7.136 16.229 13.913 159 HG LEU 23 HG LEU 23 -7.943 18.423 12.884 160 HD11 LEU 23 1HD1 LEU 23 -10.253 18.345 13.642 161 HD12 LEU 23 2HD1 LEU 23 -9.432 19.800 14.208 162 HD13 LEU 23 3HD1 LEU 23 -9.714 18.457 15.317 163 HD21 LEU 23 3HD2 LEU 23 -7.186 18.326 15.791 164 HD22 LEU 23 1HD2 LEU 23 -7.054 19.741 14.747 165 HD23 LEU 23 2HD2 LEU 23 -6.088 18.306 14.410 166 H LYS 24 H LYS 24 -10.755 17.117 11.633 167 HA LYS 24 HA LYS 24 -12.974 16.390 13.346 168 HB2 LYS 24 2HB LYS 24 -12.953 17.959 10.742 169 HB3 LYS 24 1HB LYS 24 -14.331 17.799 11.813 170 HG2 LYS 24 2HG LYS 24 -11.735 19.214 12.436 171 HG3 LYS 24 1HG LYS 24 -13.274 19.971 12.063 172 HD2 LYS 24 2HD LYS 24 -12.777 18.187 14.458 173 HD3 LYS 24 1HD LYS 24 -12.734 19.942 14.500 174 HE2 LYS 24 2HE LYS 24 -15.143 18.282 13.726 175 HE3 LYS 24 1HE LYS 24 -14.869 18.994 15.312 176 HZ1 LYS 24 3HZ LYS 24 -14.977 21.166 14.345 177 HZ2 LYS 24 1HZ LYS 24 -16.359 20.307 13.932 178 HZ3 LYS 24 2HZ LYS 24 -15.139 20.552 12.791 179 H GLU 25 H GLU 25 -11.715 15.758 10.152 180 HA GLU 25 HA GLU 25 -13.673 14.078 9.080 181 HB2 GLU 25 2HB GLU 25 -10.668 13.994 8.749 182 HB3 GLU 25 1HB GLU 25 -11.794 13.085 7.763 183 HG2 GLU 25 2HG GLU 25 -11.698 16.087 7.946 184 HG3 GLU 25 1HG GLU 25 -10.970 15.117 6.663 185 H MET 26 H MET 26 -11.065 13.475 11.284 186 HA MET 26 HA MET 26 -11.013 10.739 11.555 187 HB2 MET 26 2HB MET 26 -9.430 12.188 12.664 188 HB3 MET 26 1HB MET 26 -10.707 12.862 13.668 189 HG2 MET 26 2HG MET 26 -11.032 10.625 14.678 190 HG3 MET 26 1HG MET 26 -9.670 10.036 13.732 191 HE1 MET 26 3HE MET 26 -9.399 13.142 17.132 192 HE2 MET 26 1HE MET 26 -10.876 12.327 16.634 193 HE3 MET 26 2HE MET 26 -10.134 13.539 15.583 194 H GLU 27 H GLU 27 -13.110 13.043 13.304 195 HA GLU 27 HA GLU 27 -14.368 10.990 14.808 196 HB2 GLU 27 2HB GLU 27 -14.293 13.231 15.717 197 HB3 GLU 27 1HB GLU 27 -15.152 13.857 14.317 198 HG2 GLU 27 2HG GLU 27 -17.170 12.796 14.970 199 HG3 GLU 27 1HG GLU 27 -16.350 11.865 16.217 200 H SER 28 H SER 28 -15.097 12.639 11.827 201 HA SER 28 HA SER 28 -17.667 11.686 11.423 202 HB2 SER 28 2HB SER 28 -15.555 12.338 9.358 203 HB3 SER 28 1HB SER 28 -17.311 12.382 9.130 204 HG SER 28 HG SER 28 -16.027 14.447 9.731 205 H SER 29 H SER 29 -14.480 10.210 10.686 206 HA SER 29 HA SER 29 -15.781 7.939 9.512 207 HB2 SER 29 2HB SER 29 -13.405 7.076 9.294 208 HB3 SER 29 1HB SER 29 -13.775 8.560 8.424 209 HG SER 29 HG SER 29 -11.838 8.173 10.116 210 H THR 30 H THR 30 -14.853 8.853 12.638 211 HA THR 30 HA THR 30 -14.322 6.308 13.741 212 HB THR 30 HB THR 30 -15.420 8.810 15.082 213 HG1 THR 30 1HG THR 30 -13.283 8.923 14.162 214 HG21 THR 30 3HG2 THR 30 -15.927 6.787 16.419 215 HG22 THR 30 1HG2 THR 30 -14.716 7.797 17.205 216 HG23 THR 30 2HG2 THR 30 -14.225 6.333 16.355 217 H GLY 31 H GLY 31 -15.604 4.710 14.255 218 HA2 GLY 31 2HA GLY 31 -17.754 3.788 14.866 219 HA3 GLY 31 1HA GLY 31 -18.509 5.065 13.899 220 H THR 32 H THR 32 -15.622 3.462 12.956 221 HA THR 32 HA THR 32 -16.989 2.406 10.635 222 HB THR 32 HB THR 32 -15.171 3.936 10.068 223 HG1 THR 32 1HG THR 32 -14.383 1.241 9.610 224 HG21 THR 32 3HG2 THR 32 -13.363 2.109 11.673 225 HG22 THR 32 1HG2 THR 32 -13.816 3.760 12.102 226 HG23 THR 32 2HG2 THR 32 -12.817 3.460 10.674 227 H ALA 33 H ALA 33 -16.909 0.272 10.219 228 HA ALA 33 HA ALA 33 -16.101 -1.503 12.293 229 HB1 ALA 33 1HB ALA 33 -16.828 -3.259 10.711 230 HB2 ALA 33 2HB ALA 33 -17.006 -2.039 9.450 231 HB3 ALA 33 3HB ALA 33 -18.048 -1.995 10.873 232 HA PRO 34 HA PRO 34 -11.895 -2.037 10.871 233 HB2 PRO 34 2HB PRO 34 -12.195 -4.928 11.468 234 HB3 PRO 34 1HB PRO 34 -11.025 -3.773 12.114 235 HG2 PRO 34 2HG PRO 34 -13.030 -4.673 13.627 236 HG3 PRO 34 1HG PRO 34 -12.484 -2.991 13.737 237 HD2 PRO 34 2HD PRO 34 -14.882 -4.119 12.346 238 HD3 PRO 34 1HD PRO 34 -14.725 -2.628 13.302 239 H ALA 35 H ALA 35 -10.956 -2.649 8.967 240 HA ALA 35 HA ALA 35 -12.812 -3.918 7.124 241 HB1 ALA 35 1HB ALA 35 -11.392 -2.889 5.361 242 HB2 ALA 35 2HB ALA 35 -10.409 -2.166 6.645 243 HB3 ALA 35 3HB ALA 35 -12.099 -1.720 6.473 244 H SER 36 H SER 36 -12.445 -5.895 6.461 245 HA SER 36 HA SER 36 -9.882 -7.008 5.997 246 HB2 SER 36 2HB SER 36 -11.475 -8.026 8.379 247 HB3 SER 36 1HB SER 36 -10.127 -8.885 7.638 248 HG SER 36 HG SER 36 -9.524 -6.307 8.241 249 H THR 37 H THR 37 -10.077 -8.772 4.674 250 HA THR 37 HA THR 37 -12.818 -9.730 4.129 251 HB THR 37 HB THR 37 -11.960 -8.482 2.208 252 HG1 THR 37 1HG THR 37 -12.221 -11.256 1.977 253 HG21 THR 37 3HG2 THR 37 -9.656 -10.442 2.187 254 HG22 THR 37 1HG2 THR 37 -9.551 -8.732 2.608 255 HG23 THR 37 2HG2 THR 37 -9.966 -9.209 0.964 256 H GLY 38 H GLY 38 -10.361 -10.565 5.776 257 HA2 GLY 38 2HA GLY 38 -10.742 -13.229 6.147 258 HA3 GLY 38 1HA GLY 38 -9.560 -13.145 4.828 259 H ALA 39 H ALA 39 -10.275 -11.845 7.985 260 HA ALA 39 HA ALA 39 -8.045 -10.215 8.269 261 HB1 ALA 39 1HB ALA 39 -8.714 -10.055 10.582 262 HB2 ALA 39 2HB ALA 39 -9.739 -11.478 10.401 263 HB3 ALA 39 3HB ALA 39 -10.123 -9.998 9.523 264 H GLU 40 H GLU 40 -8.628 -13.443 9.537 265 HA GLU 40 HA GLU 40 -5.851 -13.494 10.510 266 HB2 GLU 40 2HB GLU 40 -6.569 -15.392 11.834 267 HB3 GLU 40 1HB GLU 40 -7.585 -13.987 12.136 268 HG2 GLU 40 2HG GLU 40 -9.314 -14.895 10.714 269 HG3 GLU 40 1HG GLU 40 -8.293 -16.273 10.313 270 H ASN 41 H ASN 41 -7.306 -14.239 7.742 271 HA ASN 41 HA ASN 41 -6.505 -17.046 7.613 272 HB2 ASN 41 2HB ASN 41 -7.899 -15.384 5.515 273 HB3 ASN 41 1HB ASN 41 -7.666 -17.126 5.477 274 HD21 ASN 41 1HD2 ASN 41 -8.894 -18.413 6.868 275 HD22 ASN 41 2HD2 ASN 41 -10.323 -17.810 7.624 276 H LEU 42 H LEU 42 -5.818 -13.985 5.966 277 HA LEU 42 HA LEU 42 -4.417 -13.512 4.195 278 HB2 LEU 42 2HB LEU 42 -2.520 -14.663 6.249 279 HB3 LEU 42 1HB LEU 42 -1.966 -13.839 4.813 280 HG LEU 42 HG LEU 42 -1.771 -12.325 6.607 281 HD11 LEU 42 1HD1 LEU 42 -2.558 -11.298 4.604 282 HD12 LEU 42 2HD1 LEU 42 -3.215 -10.476 6.017 283 HD13 LEU 42 3HD1 LEU 42 -4.235 -11.566 5.079 284 HD21 LEU 42 3HD2 LEU 42 -3.215 -13.385 8.241 285 HD22 LEU 42 1HD2 LEU 42 -4.641 -12.900 7.325 286 HD23 LEU 42 2HD2 LEU 42 -3.626 -11.676 8.084 287 HA PRO 43 HA PRO 43 -5.203 -17.783 2.550 288 HB2 PRO 43 2HB PRO 43 -5.038 -16.751 -0.089 289 HB3 PRO 43 1HB PRO 43 -6.487 -17.186 0.821 290 HG2 PRO 43 2HG PRO 43 -5.160 -14.535 0.515 291 HG3 PRO 43 1HG PRO 43 -6.889 -14.914 0.677 292 HD2 PRO 43 2HD PRO 43 -5.594 -13.859 2.694 293 HD3 PRO 43 1HD PRO 43 -6.697 -15.235 2.962 294 H ALA 44 H ALA 44 -3.139 -15.978 0.343 295 HA ALA 44 HA ALA 44 -1.506 -18.382 0.098 296 HB1 ALA 44 1HB ALA 44 -1.220 -15.789 -1.413 297 HB2 ALA 44 2HB ALA 44 -2.184 -17.174 -1.931 298 HB3 ALA 44 3HB ALA 44 -0.433 -17.322 -1.795 299 H GLY 45 H GLY 45 -1.414 -15.805 2.118 300 HA2 GLY 45 2HA GLY 45 0.207 -15.202 3.672 301 HA3 GLY 45 1HA GLY 45 1.299 -16.354 2.911 302 H SER 46 H SER 46 0.249 -14.611 0.455 303 HA SER 46 HA SER 46 2.406 -12.628 0.623 304 HB2 SER 46 2HB SER 46 1.155 -13.832 -1.853 305 HB3 SER 46 1HB SER 46 2.630 -12.871 -1.747 306 HG SER 46 HG SER 46 3.087 -14.821 -0.134 307 H ALA 47 H ALA 47 1.781 -10.523 -0.414 308 HA ALA 47 HA ALA 47 -1.017 -10.181 -0.894 309 HB1 ALA 47 1HB ALA 47 -0.911 -10.138 1.532 310 HB2 ALA 47 2HB ALA 47 -1.360 -8.563 0.869 311 HB3 ALA 47 3HB ALA 47 0.279 -8.843 1.454 312 H LEU 48 H LEU 48 -1.571 -8.076 -1.603 313 HA LEU 48 HA LEU 48 0.639 -6.418 -2.385 314 HB2 LEU 48 2HB LEU 48 -0.342 -6.116 -4.650 315 HB3 LEU 48 1HB LEU 48 0.265 -7.720 -4.373 316 HG LEU 48 HG LEU 48 -1.683 -7.815 -5.743 317 HD11 LEU 48 1HD1 LEU 48 -3.176 -9.324 -4.582 318 HD12 LEU 48 2HD1 LEU 48 -2.405 -8.894 -3.057 319 HD13 LEU 48 3HD1 LEU 48 -1.471 -9.694 -4.321 320 HD21 LEU 48 3HD2 LEU 48 -3.933 -7.101 -5.010 321 HD22 LEU 48 1HD2 LEU 48 -2.806 -5.756 -5.195 322 HD23 LEU 48 2HD2 LEU 48 -3.201 -6.363 -3.586 323 H LEU 49 H LEU 49 -0.110 -4.273 -3.006 324 HA LEU 49 HA LEU 49 -2.716 -3.636 -1.885 325 HB2 LEU 49 2HB LEU 49 -1.876 -1.568 -0.825 326 HB3 LEU 49 1HB LEU 49 -1.201 -2.998 -0.100 327 HG LEU 49 HG LEU 49 0.315 -1.251 -2.062 328 HD11 LEU 49 1HD1 LEU 49 0.368 -1.266 0.958 329 HD12 LEU 49 2HD1 LEU 49 -0.299 0.012 -0.056 330 HD13 LEU 49 3HD1 LEU 49 1.431 -0.329 -0.092 331 HD21 LEU 49 3HD2 LEU 49 1.245 -3.337 -0.078 332 HD22 LEU 49 1HD2 LEU 49 2.281 -2.367 -1.123 333 HD23 LEU 49 2HD2 LEU 49 1.179 -3.550 -1.826 334 H VAL 50 H VAL 50 -3.867 -2.179 -2.954 335 HA VAL 50 HA VAL 50 -2.609 -1.153 -5.391 336 HB VAL 50 HB VAL 50 -4.178 -2.963 -5.917 337 HG11 VAL 50 1HG1 VAL 50 -6.297 -1.300 -4.583 338 HG12 VAL 50 2HG1 VAL 50 -5.666 -2.848 -4.026 339 HG13 VAL 50 3HG1 VAL 50 -6.588 -2.760 -5.529 340 HG21 VAL 50 3HG2 VAL 50 -3.969 -1.181 -7.558 341 HG22 VAL 50 1HG2 VAL 50 -5.247 -0.266 -6.756 342 HG23 VAL 50 2HG2 VAL 50 -5.622 -1.801 -7.540 343 H VAL 51 H VAL 51 -2.823 0.915 -5.870 344 HA VAL 51 HA VAL 51 -3.897 2.704 -3.851 345 HB VAL 51 HB VAL 51 -2.873 3.464 -6.582 346 HG11 VAL 51 1HG1 VAL 51 -2.211 5.547 -5.483 347 HG12 VAL 51 2HG1 VAL 51 -2.867 4.937 -3.964 348 HG13 VAL 51 3HG1 VAL 51 -3.940 5.228 -5.333 349 HG21 VAL 51 3HG2 VAL 51 -1.158 2.026 -5.616 350 HG22 VAL 51 1HG2 VAL 51 -1.133 3.000 -4.146 351 HG23 VAL 51 2HG2 VAL 51 -0.606 3.697 -5.673 352 H LYS 52 H LYS 52 -5.906 3.283 -3.808 353 HA LYS 52 HA LYS 52 -7.610 2.692 -6.093 354 HB2 LYS 52 2HB LYS 52 -8.319 3.598 -3.306 355 HB3 LYS 52 1HB LYS 52 -9.469 3.101 -4.537 356 HG2 LYS 52 2HG LYS 52 -7.335 1.326 -3.354 357 HG3 LYS 52 1HG LYS 52 -9.023 1.377 -2.847 358 HD2 LYS 52 2HD LYS 52 -8.135 0.693 -5.654 359 HD3 LYS 52 1HD LYS 52 -8.448 -0.505 -4.401 360 HE2 LYS 52 2HE LYS 52 -10.750 0.354 -4.194 361 HE3 LYS 52 1HE LYS 52 -10.430 1.482 -5.508 362 HZ1 LYS 52 3HZ LYS 52 -10.310 -1.469 -5.710 363 HZ2 LYS 52 1HZ LYS 52 -10.086 -0.403 -6.996 364 HZ3 LYS 52 2HZ LYS 52 -11.585 -0.536 -6.236 365 H ARG 53 H ARG 53 -6.322 5.370 -4.328 366 HA ARG 53 HA ARG 53 -7.478 7.152 -6.318 367 HB2 ARG 53 2HB ARG 53 -8.973 7.064 -4.243 368 HB3 ARG 53 1HB ARG 53 -7.632 7.783 -3.364 369 HG2 ARG 53 2HG ARG 53 -9.164 9.526 -3.956 370 HG3 ARG 53 1HG ARG 53 -7.720 9.704 -4.955 371 HD2 ARG 53 2HD ARG 53 -8.860 8.558 -6.812 372 HD3 ARG 53 1HD ARG 53 -10.288 8.380 -5.804 373 HE ARG 53 HE ARG 53 -9.918 11.007 -5.766 374 HH11 ARG 53 1HH1 ARG 53 -9.917 8.742 -8.509 375 HH12 ARG 53 2HH1 ARG 53 -10.641 9.828 -9.582 376 HH21 ARG 53 1HH2 ARG 53 -10.882 12.526 -7.300 377 HH22 ARG 53 2HH2 ARG 53 -11.155 12.027 -8.907 378 H GLY 54 H GLY 54 -6.112 8.923 -6.699 379 HA2 GLY 54 2HA GLY 54 -4.424 10.393 -5.612 380 HA3 GLY 54 1HA GLY 54 -3.604 8.899 -5.175 381 HA PRO 55 HA PRO 55 -2.163 10.558 -9.387 382 HB2 PRO 55 2HB PRO 55 0.456 10.292 -7.992 383 HB3 PRO 55 1HB PRO 55 -0.108 11.573 -9.067 384 HG2 PRO 55 2HG PRO 55 0.008 12.042 -6.475 385 HG3 PRO 55 1HG PRO 55 -1.410 12.580 -7.398 386 HD2 PRO 55 2HD PRO 55 -1.103 10.163 -5.651 387 HD3 PRO 55 1HD PRO 55 -2.430 11.343 -5.704 388 H ASN 56 H ASN 56 -0.963 8.041 -7.203 389 HA ASN 56 HA ASN 56 -0.192 6.433 -9.509 390 HB2 ASN 56 2HB ASN 56 0.378 6.174 -6.569 391 HB3 ASN 56 1HB ASN 56 0.601 4.801 -7.646 392 HD21 ASN 56 1HD2 ASN 56 1.757 7.964 -6.765 393 HD22 ASN 56 2HD2 ASN 56 3.205 7.893 -7.700 394 H ALA 57 H ALA 57 -3.051 7.003 -8.654 395 HA ALA 57 HA ALA 57 -4.200 4.644 -7.634 396 HB1 ALA 57 1HB ALA 57 -5.464 6.613 -9.537 397 HB2 ALA 57 2HB ALA 57 -5.381 6.807 -7.789 398 HB3 ALA 57 3HB ALA 57 -6.309 5.478 -8.481 399 H GLY 58 H GLY 58 -4.686 2.765 -8.492 400 HA2 GLY 58 2HA GLY 58 -5.324 1.350 -10.296 401 HA3 GLY 58 1HA GLY 58 -4.503 2.445 -11.405 402 H ALA 59 H ALA 59 -2.352 2.453 -9.139 403 HA ALA 59 HA ALA 59 -0.849 0.268 -10.309 404 HB1 ALA 59 1HB ALA 59 1.070 1.222 -9.161 405 HB2 ALA 59 2HB ALA 59 0.015 2.358 -8.322 406 HB3 ALA 59 3HB ALA 59 0.207 2.464 -10.072 407 H ARG 60 H ARG 60 -0.007 -1.408 -9.154 408 HA ARG 60 HA ARG 60 -0.905 -1.695 -6.403 409 HB2 ARG 60 2HB ARG 60 -1.215 -4.129 -6.814 410 HB3 ARG 60 1HB ARG 60 -2.329 -3.149 -7.747 411 HG2 ARG 60 2HG ARG 60 -0.949 -3.455 -9.737 412 HG3 ARG 60 1HG ARG 60 0.194 -4.412 -8.801 413 HD2 ARG 60 2HD ARG 60 -1.329 -5.815 -10.112 414 HD3 ARG 60 1HD ARG 60 -1.530 -6.084 -8.381 415 HE ARG 60 HE ARG 60 -3.523 -4.693 -8.493 416 HH11 ARG 60 1HH1 ARG 60 -2.392 -6.137 -11.538 417 HH12 ARG 60 2HH1 ARG 60 -3.915 -6.059 -12.285 418 HH21 ARG 60 1HH2 ARG 60 -5.604 -4.612 -9.541 419 HH22 ARG 60 2HH2 ARG 60 -5.761 -5.202 -11.128 420 H PHE 61 H PHE 61 0.525 -2.778 -5.090 421 HA PHE 61 HA PHE 61 3.189 -3.273 -6.223 422 HB2 PHE 61 2HB PHE 61 2.578 -1.868 -3.607 423 HB3 PHE 61 1HB PHE 61 4.180 -2.235 -4.223 424 HD1 PHE 61 2HD PHE 61 4.918 -1.077 -6.372 425 HD2 PHE 61 1HD PHE 61 1.493 0.130 -4.151 426 HE1 PHE 61 2HE PHE 61 4.974 1.119 -7.483 427 HE2 PHE 61 1HE PHE 61 1.542 2.325 -5.258 428 HZ PHE 61 HZ PHE 61 3.285 2.824 -6.927 429 H LEU 62 H LEU 62 4.284 -4.962 -5.150 430 HA LEU 62 HA LEU 62 2.506 -6.550 -3.448 431 HB2 LEU 62 2HB LEU 62 3.522 -8.613 -4.269 432 HB3 LEU 62 1HB LEU 62 2.807 -7.704 -5.573 433 HG LEU 62 HG LEU 62 5.791 -7.689 -5.048 434 HD11 LEU 62 1HD1 LEU 62 4.213 -9.518 -6.854 435 HD12 LEU 62 2HD1 LEU 62 5.066 -9.999 -5.387 436 HD13 LEU 62 3HD1 LEU 62 5.970 -9.407 -6.778 437 HD21 LEU 62 3HD2 LEU 62 4.140 -7.096 -7.519 438 HD22 LEU 62 1HD2 LEU 62 5.899 -7.085 -7.433 439 HD23 LEU 62 2HD2 LEU 62 4.977 -5.898 -6.527 440 H LEU 63 H LEU 63 3.206 -7.317 -1.567 441 HA LEU 63 HA LEU 63 5.786 -6.286 -0.675 442 HB2 LEU 63 2HB LEU 63 3.521 -7.516 0.904 443 HB3 LEU 63 1HB LEU 63 4.964 -6.794 1.586 444 HG LEU 63 HG LEU 63 2.795 -5.334 0.069 445 HD11 LEU 63 1HD1 LEU 63 2.127 -6.046 2.311 446 HD12 LEU 63 2HD1 LEU 63 2.285 -4.295 2.194 447 HD13 LEU 63 3HD1 LEU 63 3.542 -5.238 2.987 448 HD21 LEU 63 3HD2 LEU 63 5.300 -4.290 1.392 449 HD22 LEU 63 1HD2 LEU 63 3.994 -3.297 0.741 450 HD23 LEU 63 2HD2 LEU 63 4.954 -4.306 -0.337 451 H ASP 64 H ASP 64 7.367 -7.632 -1.156 452 HA ASP 64 HA ASP 64 7.030 -10.483 -0.468 453 HB2 ASP 64 2HB ASP 64 7.197 -10.213 -2.891 454 HB3 ASP 64 1HB ASP 64 8.691 -9.298 -2.711 455 H GLN 65 H GLN 65 8.633 -7.667 0.199 456 HA GLN 65 HA GLN 65 10.988 -9.061 1.141 457 HB2 GLN 65 2HB GLN 65 12.102 -6.863 1.206 458 HB3 GLN 65 1HB GLN 65 11.639 -7.330 -0.396 459 HG2 GLN 65 2HG GLN 65 10.042 -5.396 1.280 460 HG3 GLN 65 1HG GLN 65 11.377 -4.891 0.267 461 HE21 GLN 65 1HE2 GLN 65 10.181 -3.609 -1.017 462 HE22 GLN 65 2HE2 GLN 65 8.948 -4.136 -2.107 463 HA PRO 66 HA PRO 66 9.917 -8.715 5.384 464 HB2 PRO 66 2HB PRO 66 12.701 -7.700 5.750 465 HB3 PRO 66 1HB PRO 66 11.865 -9.009 6.597 466 HG2 PRO 66 2HG PRO 66 13.657 -9.585 4.753 467 HG3 PRO 66 1HG PRO 66 12.139 -10.497 4.836 468 HD2 PRO 66 2HD PRO 66 12.950 -8.345 2.920 469 HD3 PRO 66 1HD PRO 66 12.030 -9.839 2.636 470 H THR 67 H THR 67 11.512 -5.966 3.870 471 HA THR 67 HA THR 67 9.846 -4.254 5.544 472 HB THR 67 HB THR 67 12.766 -3.615 5.083 473 HG1 THR 67 1HG THR 67 11.552 -5.218 6.959 474 HG21 THR 67 3HG2 THR 67 11.287 -1.684 5.442 475 HG22 THR 67 1HG2 THR 67 12.368 -1.911 6.817 476 HG23 THR 67 2HG2 THR 67 10.683 -2.416 6.927 477 H THR 68 H THR 68 8.771 -2.967 4.267 478 HA THR 68 HA THR 68 9.925 -2.207 1.678 479 HB THR 68 HB THR 68 6.986 -2.352 2.396 480 HG1 THR 68 1HG THR 68 8.305 -4.427 2.494 481 HG21 THR 68 3HG2 THR 68 6.696 -2.433 -0.025 482 HG22 THR 68 1HG2 THR 68 8.446 -2.445 -0.244 483 HG23 THR 68 2HG2 THR 68 7.658 -1.021 0.424 484 H THR 69 H THR 69 9.842 0.084 1.283 485 HA THR 69 HA THR 69 8.796 1.631 3.546 486 HB THR 69 HB THR 69 11.112 2.449 1.751 487 HG1 THR 69 1HG THR 69 11.179 0.548 3.343 488 HG21 THR 69 3HG2 THR 69 11.536 4.092 3.534 489 HG22 THR 69 1HG2 THR 69 10.136 3.497 4.425 490 HG23 THR 69 2HG2 THR 69 9.912 4.301 2.876 491 H ALA 70 H ALA 70 7.564 3.467 3.117 492 HA ALA 70 HA ALA 70 6.775 3.829 0.325 493 HB1 ALA 70 1HB ALA 70 5.087 4.060 2.812 494 HB2 ALA 70 2HB ALA 70 5.050 2.739 1.643 495 HB3 ALA 70 3HB ALA 70 4.546 4.357 1.157 496 H GLY 71 H GLY 71 6.793 5.822 -0.426 497 HA2 GLY 71 2HA GLY 71 6.261 8.205 0.529 498 HA3 GLY 71 1HA GLY 71 7.850 7.928 1.248 499 H ARG 72 H ARG 72 8.925 9.429 0.080 500 HA ARG 72 HA ARG 72 9.195 8.848 -2.796 501 HB2 ARG 72 2HB ARG 72 8.193 11.042 -2.451 502 HB3 ARG 72 1HB ARG 72 9.477 11.486 -1.342 503 HG2 ARG 72 2HG ARG 72 11.065 11.126 -3.302 504 HG3 ARG 72 1HG ARG 72 9.617 11.135 -4.310 505 HD2 ARG 72 2HD ARG 72 9.018 13.332 -3.463 506 HD3 ARG 72 1HD ARG 72 10.416 13.313 -2.391 507 HE ARG 72 HE ARG 72 10.373 13.692 -5.261 508 HH11 ARG 72 1HH1 ARG 72 12.427 13.207 -2.391 509 HH12 ARG 72 2HH1 ARG 72 13.776 13.986 -3.073 510 HH21 ARG 72 1HH2 ARG 72 12.285 14.771 -6.137 511 HH22 ARG 72 2HH2 ARG 72 13.698 14.893 -5.204 512 H HIS 73 H HIS 73 11.074 7.869 -3.108 513 HA HIS 73 HA HIS 73 13.479 8.935 -3.025 514 HB2 HIS 73 2HB HIS 73 14.754 7.681 -1.247 515 HB3 HIS 73 1HB HIS 73 13.680 8.880 -0.575 516 HD1 HIS 73 1HD HIS 73 14.739 5.422 -0.180 517 HD2 HIS 73 2HD HIS 73 11.313 7.636 0.642 518 HE1 HIS 73 1HE HIS 73 13.425 4.103 1.522 519 HA PRO 74 HA PRO 74 14.178 5.565 -5.698 520 HB2 PRO 74 2HB PRO 74 16.784 4.901 -4.462 521 HB3 PRO 74 1HB PRO 74 16.418 5.351 -6.132 522 HG2 PRO 74 2HG PRO 74 17.623 7.081 -4.518 523 HG3 PRO 74 1HG PRO 74 16.364 7.624 -5.644 524 HD2 PRO 74 2HD PRO 74 16.170 7.093 -2.701 525 HD3 PRO 74 1HD PRO 74 15.496 8.443 -3.641 526 H GLU 75 H GLU 75 14.744 4.862 -2.333 527 HA GLU 75 HA GLU 75 14.599 2.009 -2.779 528 HB2 GLU 75 2HB GLU 75 14.692 3.485 -0.143 529 HB3 GLU 75 1HB GLU 75 14.834 1.750 -0.351 530 HG2 GLU 75 2HG GLU 75 17.010 2.619 0.063 531 HG3 GLU 75 1HG GLU 75 16.932 2.165 -1.638 532 H SER 76 H SER 76 12.276 4.417 -2.557 533 HA SER 76 HA SER 76 10.334 3.076 -0.973 534 HB2 SER 76 2HB SER 76 9.845 5.026 -3.227 535 HB3 SER 76 1HB SER 76 8.773 4.658 -1.878 536 HG SER 76 HG SER 76 10.460 5.514 -0.509 537 H ASP 77 H ASP 77 9.799 1.024 -1.595 538 HA ASP 77 HA ASP 77 9.489 0.373 -4.375 539 HB2 ASP 77 2HB ASP 77 10.101 -1.328 -2.570 540 HB3 ASP 77 1HB ASP 77 8.448 -1.191 -2.011 541 H ILE 78 H ILE 78 7.541 1.389 -1.726 542 HA ILE 78 HA ILE 78 5.136 1.502 -3.412 543 HB ILE 78 HB ILE 78 5.320 2.387 -0.521 544 HG12 ILE 78 2HG1 ILE 78 6.144 0.070 -0.534 545 HG13 ILE 78 1HG1 ILE 78 4.575 0.169 0.254 546 HG21 ILE 78 1HG2 ILE 78 2.926 1.888 -0.482 547 HG22 ILE 78 2HG2 ILE 78 3.017 1.310 -2.143 548 HG23 ILE 78 3HG2 ILE 78 3.325 3.009 -1.788 549 HD11 ILE 78 3HD1 ILE 78 4.725 -1.807 -1.121 550 HD12 ILE 78 1HD1 ILE 78 5.139 -0.827 -2.528 551 HD13 ILE 78 2HD1 ILE 78 3.542 -0.688 -1.802 552 H PHE 79 H PHE 79 5.432 3.327 -4.673 553 HA PHE 79 HA PHE 79 6.674 5.656 -3.419 554 HB2 PHE 79 2HB PHE 79 7.701 4.770 -5.502 555 HB3 PHE 79 1HB PHE 79 6.198 5.086 -6.354 556 HD1 PHE 79 1HD PHE 79 9.005 6.680 -4.552 557 HD2 PHE 79 2HD PHE 79 5.737 7.241 -7.224 558 HE1 PHE 79 1HE PHE 79 9.811 8.944 -5.057 559 HE2 PHE 79 2HE PHE 79 6.540 9.512 -7.730 560 HZ PHE 79 HZ PHE 79 8.579 10.364 -6.647 561 H LEU 80 H LEU 80 5.389 7.208 -2.720 562 HA LEU 80 HA LEU 80 2.851 7.744 -4.139 563 HB2 LEU 80 2HB LEU 80 3.393 8.182 -1.187 564 HB3 LEU 80 1HB LEU 80 1.903 8.506 -2.028 565 HG LEU 80 HG LEU 80 1.457 6.646 -0.781 566 HD11 LEU 80 1HD1 LEU 80 1.153 4.756 -2.285 567 HD12 LEU 80 2HD1 LEU 80 2.177 5.559 -3.474 568 HD13 LEU 80 3HD1 LEU 80 0.646 6.286 -2.998 569 HD21 LEU 80 3HD2 LEU 80 3.705 6.133 -0.041 570 HD22 LEU 80 1HD2 LEU 80 4.076 5.406 -1.604 571 HD23 LEU 80 2HD2 LEU 80 2.864 4.670 -0.546 572 H ASP 81 H ASP 81 2.875 9.689 -4.989 573 HA ASP 81 HA ASP 81 4.487 11.768 -3.733 574 HB2 ASP 81 2HB ASP 81 5.787 11.011 -5.678 575 HB3 ASP 81 1HB ASP 81 4.377 11.208 -6.712 576 H ASP 82 H ASP 82 3.442 13.609 -3.537 577 HA ASP 82 HA ASP 82 1.034 14.124 -5.092 578 HB2 ASP 82 2HB ASP 82 0.290 12.981 -3.017 579 HB3 ASP 82 1HB ASP 82 1.198 14.129 -2.044 580 H VAL 83 H VAL 83 0.370 16.485 -4.439 581 HA VAL 83 HA VAL 83 2.509 18.265 -4.807 582 HB VAL 83 HB VAL 83 -0.185 18.853 -3.519 583 HG11 VAL 83 1HG1 VAL 83 1.702 20.684 -4.997 584 HG12 VAL 83 2HG1 VAL 83 1.407 20.678 -3.260 585 HG13 VAL 83 3HG1 VAL 83 0.111 21.126 -4.372 586 HG21 VAL 83 3HG2 VAL 83 0.567 18.878 -6.436 587 HG22 VAL 83 1HG2 VAL 83 -0.961 19.444 -5.765 588 HG23 VAL 83 2HG2 VAL 83 -0.529 17.740 -5.643 589 H THR 84 H THR 84 0.921 16.910 -2.023 590 HA THR 84 HA THR 84 2.359 18.354 -0.036 591 HB THR 84 HB THR 84 1.081 15.630 0.179 592 HG1 THR 84 1HG THR 84 -0.496 16.820 -0.620 593 HG21 THR 84 3HG2 THR 84 1.604 17.865 2.144 594 HG22 THR 84 1HG2 THR 84 2.402 16.301 2.097 595 HG23 THR 84 2HG2 THR 84 0.691 16.400 2.525 596 H VAL 85 H VAL 85 4.475 18.068 0.194 597 HA VAL 85 HA VAL 85 5.795 15.826 -0.983 598 HB VAL 85 HB VAL 85 6.995 18.036 0.700 599 HG11 VAL 85 1HG1 VAL 85 8.427 16.105 0.442 600 HG12 VAL 85 2HG1 VAL 85 9.048 17.471 -0.486 601 HG13 VAL 85 3HG1 VAL 85 8.210 16.155 -1.307 602 HG21 VAL 85 3HG2 VAL 85 7.549 19.135 -1.421 603 HG22 VAL 85 1HG2 VAL 85 5.804 18.993 -1.208 604 HG23 VAL 85 2HG2 VAL 85 6.648 17.895 -2.293 605 H SER 86 H SER 86 6.289 13.996 -0.003 606 HA SER 86 HA SER 86 6.825 13.906 2.853 607 HB2 SER 86 2HB SER 86 4.868 12.042 1.458 608 HB3 SER 86 1HB SER 86 5.344 11.971 3.156 609 HG SER 86 HG SER 86 4.476 14.427 2.504 610 H ARG 87 H ARG 87 8.959 13.282 2.630 611 HA ARG 87 HA ARG 87 9.600 11.311 0.617 612 HB2 ARG 87 2HB ARG 87 11.959 11.461 1.310 613 HB3 ARG 87 1HB ARG 87 11.278 13.029 0.930 614 HG2 ARG 87 2HG ARG 87 11.163 13.590 3.266 615 HG3 ARG 87 1HG ARG 87 11.649 11.955 3.718 616 HD2 ARG 87 2HD ARG 87 13.799 12.290 2.590 617 HD3 ARG 87 1HD ARG 87 13.312 13.924 2.157 618 HE ARG 87 HE ARG 87 13.114 14.185 4.722 619 HH11 ARG 87 1HH1 ARG 87 15.742 12.446 2.958 620 HH12 ARG 87 2HH1 ARG 87 16.766 12.470 4.304 621 HH21 ARG 87 1HH2 ARG 87 14.664 14.286 6.450 622 HH22 ARG 87 2HH2 ARG 87 16.196 13.567 6.284 623 H ARG 88 H ARG 88 9.545 11.328 4.143 624 HA ARG 88 HA ARG 88 9.513 8.405 3.990 625 HB2 ARG 88 2HB ARG 88 10.937 10.242 5.832 626 HB3 ARG 88 1HB ARG 88 10.139 8.882 6.589 627 HG2 ARG 88 2HG ARG 88 12.438 8.340 6.204 628 HG3 ARG 88 1HG ARG 88 11.443 7.358 5.148 629 HD2 ARG 88 2HD ARG 88 12.000 8.810 3.268 630 HD3 ARG 88 1HD ARG 88 12.950 9.848 4.340 631 HE ARG 88 HE ARG 88 13.899 7.281 4.668 632 HH11 ARG 88 1HH1 ARG 88 13.818 9.574 1.962 633 HH12 ARG 88 2HH1 ARG 88 15.238 8.906 1.255 634 HH21 ARG 88 1HH2 ARG 88 15.790 6.449 3.651 635 HH22 ARG 88 2HH2 ARG 88 16.370 7.144 2.220 636 H HIS 89 H HIS 89 7.326 8.046 3.973 637 HA HIS 89 HA HIS 89 5.836 9.432 6.065 638 HB2 HIS 89 2HB HIS 89 4.806 9.653 3.868 639 HB3 HIS 89 1HB HIS 89 4.802 7.908 3.657 640 HD2 HIS 89 2HD HIS 89 3.008 10.487 6.152 641 HE1 HIS 89 1HE HIS 89 0.590 7.103 5.505 642 HE2 HIS 89 2HE HIS 89 1.076 9.058 6.982 643 H ALA 90 H ALA 90 6.272 6.085 4.804 644 HA ALA 90 HA ALA 90 5.971 5.108 7.498 645 HB1 ALA 90 1HB ALA 90 4.039 3.700 7.053 646 HB2 ALA 90 2HB ALA 90 3.914 4.355 5.419 647 HB3 ALA 90 3HB ALA 90 3.631 5.399 6.812 648 H GLU 91 H GLU 91 6.223 2.804 7.628 649 HA GLU 91 HA GLU 91 7.598 1.597 5.340 650 HB2 GLU 91 2HB GLU 91 8.195 1.119 8.275 651 HB3 GLU 91 1HB GLU 91 9.037 0.416 6.909 652 HG2 GLU 91 2HG GLU 91 9.870 2.640 6.297 653 HG3 GLU 91 1HG GLU 91 9.047 3.319 7.701 654 H PHE 92 H PHE 92 6.898 -0.403 4.875 655 HA PHE 92 HA PHE 92 4.784 -1.567 6.540 656 HB2 PHE 92 2HB PHE 92 5.472 -1.994 3.607 657 HB3 PHE 92 1HB PHE 92 4.265 -2.922 4.477 658 HD1 PHE 92 1HD PHE 92 5.105 0.419 3.134 659 HD2 PHE 92 2HD PHE 92 2.099 -2.055 4.839 660 HE1 PHE 92 1HE PHE 92 3.376 2.073 2.508 661 HE2 PHE 92 2HE PHE 92 0.381 -0.409 4.218 662 HZ PHE 92 HZ PHE 92 1.026 1.657 3.051 663 H ARG 93 H ARG 93 5.530 -3.145 7.764 664 HA ARG 93 HA ARG 93 7.964 -4.502 6.874 665 HB2 ARG 93 2HB ARG 93 8.314 -3.101 8.866 666 HB3 ARG 93 1HB ARG 93 7.034 -3.958 9.700 667 HG2 ARG 93 2HG ARG 93 8.335 -5.982 9.722 668 HG3 ARG 93 1HG ARG 93 9.571 -5.221 8.714 669 HD2 ARG 93 2HD ARG 93 10.228 -5.283 11.097 670 HD3 ARG 93 1HD ARG 93 10.086 -3.638 10.483 671 HE ARG 93 HE ARG 93 7.779 -4.775 11.877 672 HH11 ARG 93 1HH1 ARG 93 10.569 -2.560 12.026 673 HH12 ARG 93 2HH1 ARG 93 10.005 -1.741 13.404 674 HH21 ARG 93 1HH2 ARG 93 6.979 -3.572 13.694 675 HH22 ARG 93 2HH2 ARG 93 7.920 -2.321 14.377 676 H ILE 94 H ILE 94 8.001 -6.641 6.837 677 HA ILE 94 HA ILE 94 5.466 -8.047 7.399 678 HB ILE 94 HB ILE 94 7.792 -9.069 5.743 679 HG12 ILE 94 2HG1 ILE 94 7.135 -6.983 4.673 680 HG13 ILE 94 1HG1 ILE 94 6.617 -8.344 3.689 681 HG21 ILE 94 1HG2 ILE 94 4.864 -9.793 5.757 682 HG22 ILE 94 2HG2 ILE 94 6.184 -10.741 6.452 683 HG23 ILE 94 3HG2 ILE 94 6.092 -10.502 4.705 684 HD11 ILE 94 3HD1 ILE 94 4.878 -6.698 5.506 685 HD12 ILE 94 1HD1 ILE 94 4.361 -8.076 4.534 686 HD13 ILE 94 2HD1 ILE 94 4.946 -6.606 3.743 687 H ASN 95 H ASN 95 5.672 -9.083 9.326 688 HA ASN 95 HA ASN 95 8.245 -10.335 9.906 689 HB2 ASN 95 2HB ASN 95 8.277 -8.212 11.120 690 HB3 ASN 95 1HB ASN 95 6.737 -8.597 11.875 691 HD21 ASN 95 1HD2 ASN 95 6.696 -9.991 13.615 692 HD22 ASN 95 2HD2 ASN 95 8.099 -10.584 14.392 693 H GLU 96 H GLU 96 8.016 -12.323 10.344 694 HA GLU 96 HA GLU 96 7.212 -14.374 10.849 695 HB2 GLU 96 2HB GLU 96 7.168 -13.175 13.117 696 HB3 GLU 96 1HB GLU 96 5.445 -12.974 12.859 697 HG2 GLU 96 2HG GLU 96 5.226 -15.437 12.700 698 HG3 GLU 96 1HG GLU 96 6.938 -15.569 13.100 699 H GLY 97 H GLY 97 5.966 -12.989 8.755 700 HA2 GLY 97 2HA GLY 97 4.322 -13.607 7.230 701 HA3 GLY 97 1HA GLY 97 3.599 -14.620 8.470 702 H GLU 98 H GLU 98 3.987 -11.685 9.892 703 HA GLU 98 HA GLU 98 1.246 -10.928 9.235 704 HB2 GLU 98 2HB GLU 98 2.988 -10.020 11.522 705 HB3 GLU 98 1HB GLU 98 1.268 -9.713 11.326 706 HG2 GLU 98 2HG GLU 98 0.844 -12.124 11.514 707 HG3 GLU 98 1HG GLU 98 2.562 -12.382 11.767 708 H PHE 99 H PHE 99 0.815 -8.811 8.688 709 HA PHE 99 HA PHE 99 3.096 -7.389 7.521 710 HB2 PHE 99 2HB PHE 99 0.116 -7.167 6.942 711 HB3 PHE 99 1HB PHE 99 1.407 -6.376 6.051 712 HD1 PHE 99 1HD PHE 99 -0.118 -9.677 6.812 713 HD2 PHE 99 2HD PHE 99 2.485 -7.482 4.271 714 HE1 PHE 99 1HE PHE 99 -0.040 -11.583 5.256 715 HE2 PHE 99 2HE PHE 99 2.578 -9.387 2.715 716 HZ PHE 99 HZ PHE 99 1.313 -11.440 3.208 717 H GLU 100 H GLU 100 3.592 -5.448 8.557 718 HA GLU 100 HA GLU 100 1.431 -4.194 10.079 719 HB2 GLU 100 2HB GLU 100 2.974 -3.629 11.869 720 HB3 GLU 100 1HB GLU 100 2.949 -5.370 11.631 721 HG2 GLU 100 2HG GLU 100 5.026 -5.187 10.321 722 HG3 GLU 100 1HG GLU 100 5.058 -3.464 10.670 723 H VAL 101 H VAL 101 1.478 -1.952 10.165 724 HA VAL 101 HA VAL 101 3.276 -0.691 8.197 725 HB VAL 101 HB VAL 101 0.598 0.333 9.172 726 HG11 VAL 101 1HG1 VAL 101 2.312 1.197 6.850 727 HG12 VAL 101 2HG1 VAL 101 2.066 2.075 8.358 728 HG13 VAL 101 3HG1 VAL 101 0.719 1.843 7.242 729 HG21 VAL 101 3HG2 VAL 101 -0.363 -0.365 7.048 730 HG22 VAL 101 1HG2 VAL 101 0.271 -1.742 7.948 731 HG23 VAL 101 2HG2 VAL 101 1.178 -1.091 6.581 732 H VAL 102 H VAL 102 4.736 0.615 9.158 733 HA VAL 102 HA VAL 102 3.894 1.880 11.633 734 HB VAL 102 HB VAL 102 6.309 2.008 12.305 735 HG11 VAL 102 1HG1 VAL 102 5.222 -0.779 11.917 736 HG12 VAL 102 2HG1 VAL 102 4.883 0.298 13.272 737 HG13 VAL 102 3HG1 VAL 102 6.512 -0.337 13.035 738 HG21 VAL 102 3HG2 VAL 102 6.733 0.082 10.011 739 HG22 VAL 102 1HG2 VAL 102 7.937 0.472 11.245 740 HG23 VAL 102 2HG2 VAL 102 7.371 1.722 10.142 741 H ASP 103 H ASP 103 3.671 3.925 11.479 742 HA ASP 103 HA ASP 103 4.568 5.396 9.186 743 HB2 ASP 103 2HB ASP 103 2.435 5.961 9.930 744 HB3 ASP 103 1HB ASP 103 2.935 6.045 11.611 745 H VAL 104 H VAL 104 6.100 6.880 9.070 746 HA VAL 104 HA VAL 104 7.705 7.382 11.467 747 HB VAL 104 HB VAL 104 9.749 7.409 10.048 748 HG11 VAL 104 1HG1 VAL 104 9.964 4.996 9.698 749 HG12 VAL 104 2HG1 VAL 104 8.222 4.813 9.886 750 HG13 VAL 104 3HG1 VAL 104 9.202 5.369 11.243 751 HG21 VAL 104 3HG2 VAL 104 9.702 6.485 7.776 752 HG22 VAL 104 1HG2 VAL 104 8.710 7.940 7.899 753 HG23 VAL 104 2HG2 VAL 104 7.944 6.352 7.867 754 H GLY 105 H GLY 105 5.540 8.767 9.736 755 HA2 GLY 105 2HA GLY 105 7.055 11.264 9.440 756 HA3 GLY 105 1HA GLY 105 5.906 10.734 8.224 757 H SER 106 H SER 106 3.687 10.071 9.362 758 HA SER 106 HA SER 106 1.732 10.876 10.127 759 HB2 SER 106 2HB SER 106 2.941 10.463 12.293 760 HB3 SER 106 1HB SER 106 3.423 12.154 12.298 761 HG SER 106 HG SER 106 1.001 12.480 12.081 762 H LEU 107 H LEU 107 3.686 12.646 8.596 763 HA LEU 107 HA LEU 107 3.092 15.351 9.256 764 HB2 LEU 107 2HB LEU 107 4.476 15.979 7.419 765 HB3 LEU 107 1HB LEU 107 5.234 14.639 8.245 766 HG LEU 107 HG LEU 107 3.668 14.300 5.674 767 HD11 LEU 107 1HD1 LEU 107 5.522 15.862 5.363 768 HD12 LEU 107 2HD1 LEU 107 5.702 14.358 4.470 769 HD13 LEU 107 3HD1 LEU 107 6.643 14.616 5.934 770 HD21 LEU 107 3HD2 LEU 107 5.058 12.256 5.446 771 HD22 LEU 107 1HD2 LEU 107 3.997 12.210 6.855 772 HD23 LEU 107 2HD2 LEU 107 5.715 12.558 7.051 773 H ASN 108 H ASN 108 2.080 13.188 6.694 774 HA ASN 108 HA ASN 108 0.578 15.246 5.295 775 HB2 ASN 108 2HB ASN 108 2.135 13.470 4.281 776 HB3 ASN 108 1HB ASN 108 0.870 12.312 4.626 777 HD21 ASN 108 1HD2 ASN 108 2.121 13.185 2.135 778 HD22 ASN 108 2HD2 ASN 108 0.818 13.688 1.113 779 H GLY 109 H GLY 109 0.093 12.795 7.589 780 HA2 GLY 109 2HA GLY 109 -2.011 12.655 8.766 781 HA3 GLY 109 1HA GLY 109 -2.820 12.963 7.231 782 H THR 110 H THR 110 -1.031 10.596 9.091 783 HA THR 110 HA THR 110 -1.362 8.536 7.159 784 HB THR 110 HB THR 110 -0.617 8.317 10.075 785 HG1 THR 110 1HG THR 110 1.615 8.575 9.033 786 HG21 THR 110 3HG2 THR 110 -1.016 6.204 8.795 787 HG22 THR 110 1HG2 THR 110 0.664 6.381 9.296 788 HG23 THR 110 2HG2 THR 110 0.205 6.717 7.628 789 H TYR 111 H TYR 111 -3.068 7.214 6.986 790 HA TYR 111 HA TYR 111 -4.959 6.921 9.214 791 HB2 TYR 111 2HB TYR 111 -5.407 7.452 6.344 792 HB3 TYR 111 1HB TYR 111 -6.634 6.560 7.245 793 HD1 TYR 111 2HD TYR 111 -7.788 7.748 9.095 794 HD2 TYR 111 1HD TYR 111 -5.189 9.776 6.419 795 HE1 TYR 111 2HE TYR 111 -8.817 9.872 9.731 796 HE2 TYR 111 1HE TYR 111 -6.224 11.916 7.042 797 HH TYR 111 HH TYR 111 -8.378 12.645 7.952 798 H VAL 112 H VAL 112 -5.477 4.889 9.645 799 HA VAL 112 HA VAL 112 -5.088 2.814 7.623 800 HB VAL 112 HB VAL 112 -4.506 2.453 10.595 801 HG11 VAL 112 1HG1 VAL 112 -4.134 0.592 8.257 802 HG12 VAL 112 2HG1 VAL 112 -5.327 0.440 9.546 803 HG13 VAL 112 3HG1 VAL 112 -3.610 0.263 9.907 804 HG21 VAL 112 3HG2 VAL 112 -2.725 3.808 9.589 805 HG22 VAL 112 1HG2 VAL 112 -2.514 2.602 8.322 806 HG23 VAL 112 2HG2 VAL 112 -2.131 2.199 9.997 807 H ASN 113 H ASN 113 -6.997 1.783 7.313 808 HA ASN 113 HA ASN 113 -9.173 1.231 7.459 809 HB2 ASN 113 2HB ASN 113 -8.057 0.036 9.502 810 HB3 ASN 113 1HB ASN 113 -8.886 1.237 10.473 811 HD21 ASN 113 1HD2 ASN 113 -11.317 1.236 8.839 812 HD22 ASN 113 2HD2 ASN 113 -12.112 -0.279 9.113 813 H ARG 114 H ARG 114 -8.462 3.910 7.373 814 HA ARG 114 HA ARG 114 -9.372 6.000 7.336 815 HB2 ARG 114 2HB ARG 114 -11.868 4.561 8.242 816 HB3 ARG 114 1HB ARG 114 -11.816 6.250 7.743 817 HG2 ARG 114 2HG ARG 114 -11.093 5.622 5.540 818 HG3 ARG 114 1HG ARG 114 -10.987 3.934 6.025 819 HD2 ARG 114 2HD ARG 114 -13.510 5.571 6.010 820 HD3 ARG 114 1HD ARG 114 -13.014 4.472 4.728 821 HE ARG 114 HE ARG 114 -13.766 3.680 7.462 822 HH11 ARG 114 1HH1 ARG 114 -12.986 2.678 4.151 823 HH12 ARG 114 2HH1 ARG 114 -14.018 1.345 4.145 824 HH21 ARG 114 1HH2 ARG 114 -15.141 1.789 7.512 825 HH22 ARG 114 2HH2 ARG 114 -15.266 0.804 6.123 826 H GLU 115 H GLU 115 -8.380 4.693 10.035 827 HA GLU 115 HA GLU 115 -9.197 7.004 11.619 828 HB2 GLU 115 2HB GLU 115 -8.033 4.372 12.529 829 HB3 GLU 115 1HB GLU 115 -8.395 5.735 13.569 830 HG2 GLU 115 2HG GLU 115 -10.796 5.475 12.822 831 HG3 GLU 115 1HG GLU 115 -10.298 3.916 12.152 832 HA PRO 116 HA PRO 116 -4.901 8.292 11.262 833 HB2 PRO 116 2HB PRO 116 -5.287 9.434 13.966 834 HB3 PRO 116 1HB PRO 116 -4.819 10.256 12.477 835 HG2 PRO 116 2HG PRO 116 -7.253 10.573 13.562 836 HG3 PRO 116 1HG PRO 116 -6.999 10.569 11.807 837 HD2 PRO 116 2HD PRO 116 -8.100 8.392 13.558 838 HD3 PRO 116 1HD PRO 116 -8.552 8.886 11.911 839 H ARG 117 H ARG 117 -3.293 6.917 11.725 840 HA ARG 117 HA ARG 117 -2.889 5.906 14.376 841 HB2 ARG 117 2HB ARG 117 -4.616 4.366 13.448 842 HB3 ARG 117 1HB ARG 117 -3.574 4.046 12.074 843 HG2 ARG 117 2HG ARG 117 -3.522 2.226 13.655 844 HG3 ARG 117 1HG ARG 117 -1.937 2.997 13.567 845 HD2 ARG 117 2HD ARG 117 -2.480 2.495 15.863 846 HD3 ARG 117 1HD ARG 117 -2.487 4.241 15.642 847 HE ARG 117 HE ARG 117 -5.095 3.123 15.321 848 HH11 ARG 117 1HH1 ARG 117 -2.766 4.211 17.776 849 HH12 ARG 117 2HH1 ARG 117 -3.962 4.365 18.983 850 HH21 ARG 117 1HH2 ARG 117 -6.695 3.367 17.015 851 HH22 ARG 117 2HH2 ARG 117 -6.193 3.885 18.561 852 H ASN 118 H ASN 118 -0.706 5.502 14.595 853 HA ASN 118 HA ASN 118 0.819 6.036 12.199 854 HB2 ASN 118 2HB ASN 118 1.741 5.947 15.090 855 HB3 ASN 118 1HB ASN 118 2.755 6.367 13.715 856 HD21 ASN 118 1HD2 ASN 118 2.487 8.395 12.705 857 HD22 ASN 118 2HD2 ASN 118 1.542 9.623 13.444 858 H ALA 119 H ALA 119 0.720 3.574 14.789 859 HA ALA 119 HA ALA 119 1.945 1.814 12.793 860 HB1 ALA 119 1HB ALA 119 2.986 0.567 14.620 861 HB2 ALA 119 2HB ALA 119 2.275 1.676 15.793 862 HB3 ALA 119 3HB ALA 119 3.493 2.257 14.659 863 H GLN 120 H GLN 120 0.905 -0.002 12.382 864 HA GLN 120 HA GLN 120 -1.145 -1.032 14.129 865 HB2 GLN 120 2HB GLN 120 -2.424 0.676 12.969 866 HB3 GLN 120 1HB GLN 120 -1.855 0.100 11.413 867 HG2 GLN 120 2HG GLN 120 -4.124 -0.634 11.760 868 HG3 GLN 120 1HG GLN 120 -3.049 -2.026 11.788 869 HE21 GLN 120 1HE2 GLN 120 -5.610 -1.943 12.782 870 HE22 GLN 120 2HE2 GLN 120 -5.588 -2.196 14.487 871 H VAL 121 H VAL 121 -1.611 -3.197 13.716 872 HA VAL 121 HA VAL 121 0.093 -4.481 11.750 873 HB VAL 121 HB VAL 121 -1.985 -5.715 13.632 874 HG11 VAL 121 1HG1 VAL 121 -0.986 -7.884 13.010 875 HG12 VAL 121 2HG1 VAL 121 0.046 -7.063 11.839 876 HG13 VAL 121 3HG1 VAL 121 -1.703 -7.074 11.615 877 HG21 VAL 121 3HG2 VAL 121 -0.007 -4.782 14.754 878 HG22 VAL 121 1HG2 VAL 121 1.028 -5.787 13.747 879 HG23 VAL 121 2HG2 VAL 121 -0.083 -6.539 14.897 880 H MET 122 H MET 122 -0.583 -5.016 9.791 881 HA MET 122 HA MET 122 -3.218 -4.026 9.024 882 HB2 MET 122 2HB MET 122 -1.329 -2.964 7.992 883 HB3 MET 122 1HB MET 122 -0.666 -4.518 7.513 884 HG2 MET 122 2HG MET 122 -2.534 -4.827 5.975 885 HG3 MET 122 1HG MET 122 -3.195 -3.267 6.468 886 HE1 MET 122 3HE MET 122 0.881 -3.704 4.323 887 HE2 MET 122 1HE MET 122 -0.086 -5.064 4.880 888 HE3 MET 122 2HE MET 122 0.703 -3.996 6.050 889 H GLN 123 H GLN 123 -4.704 -5.385 8.315 890 HA GLN 123 HA GLN 123 -3.928 -8.126 7.684 891 HB2 GLN 123 2HB GLN 123 -6.531 -7.146 8.913 892 HB3 GLN 123 1HB GLN 123 -6.092 -8.823 8.612 893 HG2 GLN 123 2HG GLN 123 -4.264 -8.663 10.230 894 HG3 GLN 123 1HG GLN 123 -4.657 -6.975 10.520 895 HE21 GLN 123 1HE2 GLN 123 -5.031 -7.286 12.694 896 HE22 GLN 123 2HE2 GLN 123 -6.400 -8.152 13.289 897 H THR 124 H THR 124 -5.358 -9.122 6.042 898 HA THR 124 HA THR 124 -5.462 -7.405 3.817 899 HB THR 124 HB THR 124 -4.992 -9.764 3.498 900 HG1 THR 124 1HG THR 124 -7.093 -9.970 1.928 901 HG21 THR 124 3HG2 THR 124 -6.770 -11.461 3.612 902 HG22 THR 124 1HG2 THR 124 -7.880 -10.244 4.239 903 HG23 THR 124 2HG2 THR 124 -6.478 -10.728 5.190 904 H GLY 125 H GLY 125 -6.989 -6.313 2.784 905 HA2 GLY 125 2HA GLY 125 -9.191 -5.768 2.191 906 HA3 GLY 125 1HA GLY 125 -9.763 -6.518 3.674 907 H ASP 126 H ASP 126 -7.125 -4.790 4.538 908 HA ASP 126 HA ASP 126 -8.745 -2.619 5.603 909 HB2 ASP 126 2HB ASP 126 -7.028 -3.954 6.965 910 HB3 ASP 126 1HB ASP 126 -5.795 -3.108 6.048 911 H GLU 127 H GLU 127 -8.032 -0.444 5.426 912 HA GLU 127 HA GLU 127 -6.668 0.086 2.903 913 HB2 GLU 127 2HB GLU 127 -8.280 1.965 2.457 914 HB3 GLU 127 1HB GLU 127 -8.940 0.337 2.399 915 HG2 GLU 127 2HG GLU 127 -9.886 0.664 4.647 916 HG3 GLU 127 1HG GLU 127 -9.319 2.336 4.610 917 H ILE 128 H ILE 128 -5.157 1.486 2.906 918 HA ILE 128 HA ILE 128 -4.665 3.018 5.358 919 HB ILE 128 HB ILE 128 -2.651 1.873 3.371 920 HG12 ILE 128 2HG1 ILE 128 -1.703 0.725 5.439 921 HG13 ILE 128 1HG1 ILE 128 -3.151 1.225 6.293 922 HG21 ILE 128 1HG2 ILE 128 -2.083 3.621 5.759 923 HG22 ILE 128 2HG2 ILE 128 -1.889 4.061 4.064 924 HG23 ILE 128 3HG2 ILE 128 -0.868 2.809 4.775 925 HD11 ILE 128 3HD1 ILE 128 -3.046 -0.607 3.903 926 HD12 ILE 128 1HD1 ILE 128 -4.502 -0.123 4.767 927 HD13 ILE 128 2HD1 ILE 128 -3.276 -1.097 5.580 928 H GLN 129 H GLN 129 -4.484 5.142 5.151 929 HA GLN 129 HA GLN 129 -4.490 6.208 2.442 930 HB2 GLN 129 2HB GLN 129 -6.713 6.479 3.192 931 HB3 GLN 129 1HB GLN 129 -6.243 7.066 4.750 932 HG2 GLN 129 2HG GLN 129 -5.465 9.148 3.796 933 HG3 GLN 129 1HG GLN 129 -5.743 8.536 2.169 934 HE21 GLN 129 1HE2 GLN 129 -6.853 10.872 3.609 935 HE22 GLN 129 2HE2 GLN 129 -8.554 10.681 3.494 936 H ILE 130 H ILE 130 -3.183 7.733 1.944 937 HA ILE 130 HA ILE 130 -1.472 8.837 4.053 938 HB ILE 130 HB ILE 130 -0.923 8.587 1.056 939 HG12 ILE 130 2HG1 ILE 130 1.040 7.121 1.789 940 HG13 ILE 130 1HG1 ILE 130 0.295 7.055 3.375 941 HG21 ILE 130 1HG2 ILE 130 1.335 9.419 1.541 942 HG22 ILE 130 2HG2 ILE 130 0.863 9.672 3.219 943 HG23 ILE 130 3HG2 ILE 130 0.077 10.594 1.938 944 HD11 ILE 130 3HD1 ILE 130 -0.894 6.039 0.811 945 HD12 ILE 130 1HD1 ILE 130 -1.651 5.947 2.400 946 HD13 ILE 130 2HD1 ILE 130 -0.160 5.055 2.080 947 H GLY 131 H GLY 131 -2.488 10.667 4.604 948 HA2 GLY 131 2HA GLY 131 -3.142 12.795 4.447 949 HA3 GLY 131 1HA GLY 131 -2.542 12.811 2.794 950 H LYS 132 H LYS 132 -3.884 12.316 1.155 951 HA LYS 132 HA LYS 132 -6.740 12.370 1.849 952 HB2 LYS 132 2HB LYS 132 -7.135 13.899 -0.016 953 HB3 LYS 132 1HB LYS 132 -6.027 14.583 1.158 954 HG2 LYS 132 2HG LYS 132 -4.137 13.933 -0.316 955 HG3 LYS 132 1HG LYS 132 -5.309 13.393 -1.514 956 HD2 LYS 132 2HD LYS 132 -4.787 15.538 -2.245 957 HD3 LYS 132 1HD LYS 132 -6.261 15.799 -1.323 958 HE2 LYS 132 2HE LYS 132 -3.436 16.278 -0.331 959 HE3 LYS 132 1HE LYS 132 -4.536 17.521 -0.899 960 HZ1 LYS 132 3HZ LYS 132 -4.768 15.907 1.605 961 HZ2 LYS 132 1HZ LYS 132 -6.003 16.928 1.044 962 HZ3 LYS 132 2HZ LYS 132 -4.501 17.535 1.434 963 H PHE 133 H PHE 133 -4.499 10.374 0.484 964 HA PHE 133 HA PHE 133 -6.542 9.306 -1.243 965 HB2 PHE 133 2HB PHE 133 -4.857 8.684 -2.928 966 HB3 PHE 133 1HB PHE 133 -5.111 10.411 -2.801 967 HD1 PHE 133 2HD PHE 133 -3.299 11.795 -1.688 968 HD2 PHE 133 1HD PHE 133 -2.765 7.695 -2.700 969 HE1 PHE 133 2HE PHE 133 -0.863 12.096 -1.611 970 HE2 PHE 133 1HE PHE 133 -0.326 7.995 -2.638 971 HZ PHE 133 HZ PHE 133 0.639 10.185 -2.114 972 H ARG 134 H ARG 134 -6.601 7.036 -1.488 973 HA ARG 134 HA ARG 134 -5.098 5.736 0.652 974 HB2 ARG 134 2HB ARG 134 -7.014 4.552 1.440 975 HB3 ARG 134 1HB ARG 134 -7.376 6.266 1.380 976 HG2 ARG 134 2HG ARG 134 -8.615 5.915 -0.714 977 HG3 ARG 134 1HG ARG 134 -8.320 4.178 -0.564 978 HD2 ARG 134 2HD ARG 134 -10.516 4.703 0.316 979 HD3 ARG 134 1HD ARG 134 -9.457 4.213 1.639 980 HE ARG 134 HE ARG 134 -9.239 6.942 1.507 981 HH11 ARG 134 1HH1 ARG 134 -11.719 4.606 2.429 982 HH12 ARG 134 2HH1 ARG 134 -12.780 5.793 3.039 983 HH21 ARG 134 1HH2 ARG 134 -10.590 8.504 2.468 984 HH22 ARG 134 2HH2 ARG 134 -12.103 8.074 3.108 985 H LEU 135 H LEU 135 -4.707 3.639 0.607 986 HA LEU 135 HA LEU 135 -4.854 2.245 -1.970 987 HB2 LEU 135 2HB LEU 135 -2.751 2.102 0.216 988 HB3 LEU 135 1HB LEU 135 -2.833 1.011 -1.142 989 HG LEU 135 HG LEU 135 -2.393 2.991 -2.638 990 HD11 LEU 135 1HD1 LEU 135 -3.063 4.798 -1.188 991 HD12 LEU 135 2HD1 LEU 135 -1.370 4.980 -1.655 992 HD13 LEU 135 3HD1 LEU 135 -1.789 4.376 -0.048 993 HD21 LEU 135 3HD2 LEU 135 -0.668 1.402 -2.040 994 HD22 LEU 135 1HD2 LEU 135 -0.305 2.322 -0.582 995 HD23 LEU 135 2HD2 LEU 135 -0.003 3.029 -2.170 996 H VAL 136 H VAL 136 -5.570 0.109 -1.837 997 HA VAL 136 HA VAL 136 -6.450 -0.722 0.841 998 HB VAL 136 HB VAL 136 -7.689 -1.505 -1.842 999 HG11 VAL 136 1HG1 VAL 136 -8.537 -2.259 0.965 1000 HG12 VAL 136 2HG1 VAL 136 -7.790 -3.341 -0.204 1001 HG13 VAL 136 3HG1 VAL 136 -9.394 -2.674 -0.519 1002 HG21 VAL 136 3HG2 VAL 136 -8.201 0.790 -1.078 1003 HG22 VAL 136 1HG2 VAL 136 -8.856 0.124 0.409 1004 HG23 VAL 136 2HG2 VAL 136 -9.630 -0.244 -1.135 1005 H PHE 137 H PHE 137 -5.766 -2.568 1.598 1006 HA PHE 137 HA PHE 137 -3.622 -3.891 0.149 1007 HB2 PHE 137 2HB PHE 137 -3.066 -2.994 2.287 1008 HB3 PHE 137 1HB PHE 137 -4.468 -3.744 3.030 1009 HD1 PHE 137 1HD PHE 137 -1.273 -4.546 1.317 1010 HD2 PHE 137 2HD PHE 137 -4.251 -5.758 4.092 1011 HE1 PHE 137 1HE PHE 137 0.127 -6.436 1.996 1012 HE2 PHE 137 2HE PHE 137 -2.858 -7.658 4.774 1013 HZ PHE 137 HZ PHE 137 -0.664 -7.993 3.733 1014 H LEU 138 H LEU 138 -3.974 -5.836 -0.757 1015 HA LEU 138 HA LEU 138 -6.077 -7.550 0.357 1016 HB2 LEU 138 2HB LEU 138 -5.453 -7.169 -2.581 1017 HB3 LEU 138 1HB LEU 138 -6.456 -8.448 -1.945 1018 HG LEU 138 HG LEU 138 -7.917 -6.914 -2.848 1019 HD11 LEU 138 1HD1 LEU 138 -8.704 -7.667 -0.743 1020 HD12 LEU 138 2HD1 LEU 138 -9.228 -6.006 -1.019 1021 HD13 LEU 138 3HD1 LEU 138 -7.896 -6.333 0.088 1022 HD21 LEU 138 3HD2 LEU 138 -6.445 -5.026 -3.190 1023 HD22 LEU 138 1HD2 LEU 138 -6.442 -4.685 -1.458 1024 HD23 LEU 138 2HD2 LEU 138 -7.925 -4.488 -2.390 1025 H ALA 139 H ALA 139 -5.459 -9.523 0.748 1026 HA ALA 139 HA ALA 139 -2.739 -10.301 0.164 1027 HB1 ALA 139 1HB ALA 139 -4.945 -11.807 1.577 1028 HB2 ALA 139 2HB ALA 139 -3.650 -10.883 2.348 1029 HB3 ALA 139 3HB ALA 139 -3.271 -12.344 1.439 1030 H GLY 140 H GLY 140 -2.169 -12.075 -1.076 1031 HA2 GLY 140 2HA GLY 140 -3.720 -12.429 -3.416 1032 HA3 GLY 140 1HA GLY 140 -2.256 -13.307 -2.983 1033 HA PRO 141 HA PRO 141 -6.330 -15.651 -1.770 1034 HB2 PRO 141 2HB PRO 141 -7.367 -16.507 -4.141 1035 HB3 PRO 141 1HB PRO 141 -7.921 -15.042 -3.324 1036 HG2 PRO 141 2HG PRO 141 -6.013 -15.340 -5.598 1037 HG3 PRO 141 1HG PRO 141 -7.291 -14.135 -5.365 1038 HD2 PRO 141 2HD PRO 141 -4.687 -13.597 -4.899 1039 HD3 PRO 141 1HD PRO 141 -5.995 -12.847 -3.959 1040 H ALA 142 H ALA 142 -6.600 -17.954 -2.017 1041 HA ALA 142 HA ALA 142 -4.063 -19.271 -2.367 1042 HB1 ALA 142 1HB ALA 142 -5.208 -21.240 -1.458 1043 HB2 ALA 142 2HB ALA 142 -6.754 -20.408 -1.595 1044 HB3 ALA 142 3HB ALA 142 -5.531 -19.813 -0.471 1045 H GLU 143 H GLU 143 -4.615 -18.390 -4.662 1046 HA GLU 143 HA GLU 143 -5.575 -20.597 -6.373 1047 HB2 GLU 143 2HB GLU 143 -6.828 -18.345 -6.376 1048 HB3 GLU 143 1HB GLU 143 -5.384 -17.641 -7.056 1049 HG2 GLU 143 2HG GLU 143 -7.004 -19.822 -8.366 1050 HG3 GLU 143 1HG GLU 143 -7.208 -18.110 -8.681
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