NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
589032 | 2mxd | 25404 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY 945 2HA GLY 945 -21.518 12.701 -1.493 2 HA3 GLY 945 1HA GLY 945 -22.506 13.302 -0.161 3 H ALA 946 H ALA 946 -22.499 11.996 1.547 4 HA ALA 946 HA ALA 946 -22.305 10.108 2.846 5 HB1 ALA 946 3HB ALA 946 -23.807 8.344 2.319 6 HB2 ALA 946 1HB ALA 946 -23.712 8.681 0.593 7 HB3 ALA 946 2HB ALA 946 -24.556 9.802 1.663 8 H MET 947 H MET 947 -21.873 7.509 2.461 9 HA MET 947 HA MET 947 -20.061 6.095 2.212 10 HB2 MET 947 2HB MET 947 -20.543 7.080 -0.606 11 HB3 MET 947 1HB MET 947 -19.499 5.714 -0.208 12 HG2 MET 947 2HG MET 947 -22.402 5.895 0.624 13 HG3 MET 947 1HG MET 947 -21.860 5.061 -0.833 14 HE1 MET 947 3HE MET 947 -23.488 3.340 1.536 15 HE2 MET 947 1HE MET 947 -22.556 1.938 1.000 16 HE3 MET 947 2HE MET 947 -23.052 3.165 -0.161 17 H ALA 948 H ALA 948 -19.445 9.007 2.729 18 HA ALA 948 HA ALA 948 -17.143 9.777 1.289 19 HB1 ALA 948 3HB ALA 948 -18.096 10.448 4.079 20 HB2 ALA 948 1HB ALA 948 -18.253 11.427 2.620 21 HB3 ALA 948 2HB ALA 948 -16.667 11.178 3.348 22 H ILE 949 H ILE 949 -14.927 9.601 1.818 23 HA ILE 949 HA ILE 949 -14.137 7.070 2.803 24 HB ILE 949 HB ILE 949 -11.824 7.992 2.665 25 HG12 ILE 949 2HG1 ILE 949 -13.233 10.539 1.815 26 HG13 ILE 949 1HG1 ILE 949 -12.444 10.320 3.374 27 HG21 ILE 949 1HG2 ILE 949 -13.123 7.095 0.685 28 HG22 ILE 949 2HG2 ILE 949 -11.831 8.220 0.269 29 HG23 ILE 949 3HG2 ILE 949 -13.512 8.761 0.270 30 HD11 ILE 949 3HD1 ILE 949 -10.910 11.446 1.852 31 HD12 ILE 949 1HD1 ILE 949 -11.119 10.166 0.653 32 HD13 ILE 949 2HD1 ILE 949 -10.308 9.822 2.178 33 H ALA 950 H ALA 950 -13.349 6.411 4.754 34 HA ALA 950 HA ALA 950 -13.355 8.384 6.978 35 HB1 ALA 950 3HB ALA 950 -14.169 5.475 7.144 36 HB2 ALA 950 1HB ALA 950 -15.311 6.818 7.025 37 HB3 ALA 950 2HB ALA 950 -14.254 6.679 8.429 38 H LEU 951 H LEU 951 -11.171 7.302 5.222 39 HA LEU 951 HA LEU 951 -9.620 5.497 6.817 40 HB2 LEU 951 2HB LEU 951 -9.184 7.099 4.331 41 HB3 LEU 951 1HB LEU 951 -7.755 6.520 5.187 42 HG LEU 951 HG LEU 951 -8.648 4.216 5.103 43 HD11 LEU 951 1HD1 LEU 951 -11.025 4.679 5.101 44 HD12 LEU 951 2HD1 LEU 951 -10.627 3.788 3.636 45 HD13 LEU 951 3HD1 LEU 951 -10.897 5.529 3.561 46 HD21 LEU 951 3HD2 LEU 951 -8.442 3.920 2.630 47 HD22 LEU 951 1HD2 LEU 951 -7.183 4.960 3.299 48 HD23 LEU 951 2HD2 LEU 951 -8.551 5.670 2.447 49 H ARG 952 H ARG 952 -7.766 5.923 7.985 50 HA ARG 952 HA ARG 952 -7.867 8.333 9.536 51 HB2 ARG 952 2HB ARG 952 -5.987 5.968 9.521 52 HB3 ARG 952 1HB ARG 952 -5.796 7.337 10.616 53 HG2 ARG 952 2HG ARG 952 -8.036 6.961 11.524 54 HG3 ARG 952 1HG ARG 952 -8.304 5.644 10.382 55 HD2 ARG 952 2HD ARG 952 -6.022 5.642 12.368 56 HD3 ARG 952 1HD ARG 952 -7.598 4.939 12.723 57 HE ARG 952 HE ARG 952 -6.883 3.788 10.342 58 HH11 ARG 952 1HH2 ARG 952 -5.427 4.166 13.452 59 HH12 ARG 952 2HH2 ARG 952 -4.540 2.678 13.378 60 HH21 ARG 952 1HH1 ARG 952 -5.750 1.831 10.233 61 HH22 ARG 952 2HH1 ARG 952 -4.733 1.343 11.550 62 H ASP 953 H ASP 953 -5.689 9.473 10.010 63 HA ASP 953 HA ASP 953 -4.924 10.884 7.703 64 HB2 ASP 953 2HB ASP 953 -3.672 10.618 10.439 65 HB3 ASP 953 1HB ASP 953 -3.016 11.688 9.201 66 H ASP 954 H ASP 954 -3.263 8.282 9.476 67 HA ASP 954 HA ASP 954 -0.988 8.236 7.763 68 HB2 ASP 954 2HB ASP 954 -2.128 6.271 9.754 69 HB3 ASP 954 1HB ASP 954 -0.683 5.912 8.812 70 H GLU 955 H GLU 955 -4.027 6.445 7.822 71 HA GLU 955 HA GLU 955 -3.413 4.636 5.734 72 HB2 GLU 955 2HB GLU 955 -6.070 5.740 6.681 73 HB3 GLU 955 1HB GLU 955 -5.876 4.382 5.574 74 HG2 GLU 955 2HG GLU 955 -4.650 4.482 8.339 75 HG3 GLU 955 1HG GLU 955 -6.189 3.706 7.985 76 H TYR 956 H TYR 956 -4.814 7.884 5.756 77 HA TYR 956 HA TYR 956 -5.583 8.019 3.051 78 HB2 TYR 956 2HB TYR 956 -6.288 9.726 4.617 79 HB3 TYR 956 1HB TYR 956 -4.614 10.189 4.932 80 HD1 TYR 956 HD1 TYR 956 -7.318 10.160 2.397 81 HD2 TYR 956 HD2 TYR 956 -3.388 11.577 3.386 82 HE1 TYR 956 HE1 TYR 956 -7.390 11.714 0.463 83 HE2 TYR 956 HE2 TYR 956 -3.459 13.125 1.450 84 HH TYR 956 HH TYR 956 -6.280 13.194 -0.733 85 H ASP 957 H ASP 957 -2.520 8.779 4.654 86 HA ASP 957 HA ASP 957 -1.141 9.676 2.345 87 HB2 ASP 957 2HB ASP 957 -0.361 8.704 5.073 88 HB3 ASP 957 1HB ASP 957 0.901 8.862 3.852 89 H GLU 958 H GLU 958 -1.526 6.477 3.811 90 HA GLU 958 HA GLU 958 0.335 5.121 2.172 91 HB2 GLU 958 2HB GLU 958 -2.096 4.179 3.693 92 HB3 GLU 958 1HB GLU 958 -1.012 3.078 2.837 93 HG2 GLU 958 2HG GLU 958 0.868 3.765 4.170 94 HG3 GLU 958 1HG GLU 958 -0.063 5.068 4.912 95 H TRP 959 H TRP 959 -3.164 5.662 1.802 96 HA TRP 959 HA TRP 959 -3.438 4.127 -0.569 97 HB2 TRP 959 2HB TRP 959 -5.402 4.589 0.658 98 HB3 TRP 959 1HB TRP 959 -5.079 6.315 0.697 99 HD1 TRP 959 HD TRP 959 -5.409 3.728 -2.186 100 HE1 TRP 959 HE1 TRP 959 -7.004 4.733 -3.947 101 HE3 TRP 959 HE3 TRP 959 -6.465 8.183 0.043 102 HZ2 TRP 959 HZ2 TRP 959 -8.545 7.111 -4.339 103 HZ3 TRP 959 HZ3 TRP 959 -7.987 9.806 -1.034 104 HH2 TRP 959 HH TRP 959 -9.025 9.287 -3.230 105 H GLN 960 H GLN 960 -2.932 7.623 -0.032 106 HA GLN 960 HA GLN 960 -2.896 8.301 -2.779 107 HB2 GLN 960 2HB GLN 960 -1.646 9.632 -0.370 108 HB3 GLN 960 1HB GLN 960 -1.641 10.342 -1.984 109 HG2 GLN 960 2HG GLN 960 -4.153 9.507 -0.502 110 HG3 GLN 960 1HG GLN 960 -3.521 11.150 -0.529 111 HE21 GLN 960 1HE2 GLN 960 -5.670 9.086 -2.131 112 HE22 GLN 960 2HE2 GLN 960 -5.768 9.927 -3.602 113 H ASP 961 H ASP 961 -0.422 7.222 -0.544 114 HA ASP 961 HA ASP 961 1.801 7.690 -2.245 115 HB2 ASP 961 2HB ASP 961 1.339 6.076 0.252 116 HB3 ASP 961 1HB ASP 961 2.819 5.827 -0.665 117 H ILE 962 H ILE 962 -0.365 4.907 -1.807 118 HA ILE 962 HA ILE 962 1.221 3.143 -3.381 119 HB ILE 962 HB ILE 962 -0.938 2.745 -1.778 120 HG12 ILE 962 2HG1 ILE 962 -0.063 1.012 -4.110 121 HG13 ILE 962 1HG1 ILE 962 0.612 1.006 -2.490 122 HG21 ILE 962 1HG2 ILE 962 -2.443 3.780 -3.526 123 HG22 ILE 962 2HG2 ILE 962 -2.901 2.160 -3.039 124 HG23 ILE 962 3HG2 ILE 962 -2.065 2.431 -4.567 125 HD11 ILE 962 3HD1 ILE 962 -0.908 -0.857 -2.653 126 HD12 ILE 962 1HD1 ILE 962 -2.183 0.168 -3.302 127 HD13 ILE 962 2HD1 ILE 962 -1.670 0.355 -1.625 128 H ILE 963 H ILE 963 -1.353 5.442 -4.051 129 HA ILE 963 HA ILE 963 -1.723 4.883 -6.792 130 HB ILE 963 HB ILE 963 -2.004 7.421 -5.179 131 HG12 ILE 963 2HG1 ILE 963 -4.052 5.573 -6.376 132 HG13 ILE 963 1HG1 ILE 963 -3.498 5.482 -4.707 133 HG21 ILE 963 1HG2 ILE 963 -1.655 8.189 -7.413 134 HG22 ILE 963 2HG2 ILE 963 -3.396 8.208 -7.159 135 HG23 ILE 963 3HG2 ILE 963 -2.652 6.906 -8.080 136 HD11 ILE 963 3HD1 ILE 963 -4.831 7.193 -4.068 137 HD12 ILE 963 1HD1 ILE 963 -5.627 7.039 -5.636 138 HD13 ILE 963 2HD1 ILE 963 -4.324 8.206 -5.420 139 H ARG 964 H ARG 964 0.502 7.029 -5.071 140 HA ARG 964 HA ARG 964 1.730 8.213 -7.301 141 HB2 ARG 964 2HB ARG 964 2.061 8.953 -4.945 142 HB3 ARG 964 1HB ARG 964 3.016 7.500 -4.647 143 HG2 ARG 964 2HG ARG 964 4.613 8.174 -6.403 144 HG3 ARG 964 1HG ARG 964 3.660 9.628 -6.703 145 HD2 ARG 964 2HD ARG 964 4.075 10.411 -4.425 146 HD3 ARG 964 1HD ARG 964 4.932 8.920 -4.044 147 HE ARG 964 HE ARG 964 5.932 11.139 -5.677 148 HH11 ARG 964 1HH2 ARG 964 6.264 7.857 -4.613 149 HH12 ARG 964 2HH2 ARG 964 7.968 7.793 -4.904 150 HH21 ARG 964 1HH1 ARG 964 8.172 11.053 -6.059 151 HH22 ARG 964 2HH1 ARG 964 9.047 9.597 -5.728 152 H ASP 965 H ASP 965 2.350 5.173 -5.585 153 HA ASP 965 HA ASP 965 4.695 4.434 -6.966 154 HB2 ASP 965 2HB ASP 965 3.692 3.333 -4.885 155 HB3 ASP 965 1HB ASP 965 2.609 2.484 -5.987 156 H TRP 966 H TRP 966 1.253 3.768 -7.666 157 HA TRP 966 HA TRP 966 1.921 2.386 -10.151 158 HB2 TRP 966 2HB TRP 966 -0.839 3.285 -9.371 159 HB3 TRP 966 1HB TRP 966 -0.368 1.892 -10.340 160 HD1 TRP 966 HD TRP 966 -1.882 2.527 -7.277 161 HE1 TRP 966 HE1 TRP 966 -1.415 0.739 -5.495 162 HE3 TRP 966 HE3 TRP 966 2.195 0.245 -9.362 163 HZ2 TRP 966 HZ2 TRP 966 0.446 -1.374 -5.002 164 HZ3 TRP 966 HZ3 TRP 966 3.287 -1.656 -8.208 165 HH2 TRP 966 HH TRP 966 2.418 -2.468 -6.035 166 H ARG 967 H ARG 967 1.702 5.560 -9.205 167 HA ARG 967 HA ARG 967 1.382 7.553 -10.269 168 HB2 ARG 967 2HB ARG 967 2.418 5.833 -12.519 169 HB3 ARG 967 1HB ARG 967 2.090 7.554 -12.721 170 HG2 ARG 967 2HG ARG 967 3.617 8.063 -10.845 171 HG3 ARG 967 1HG ARG 967 3.960 6.344 -10.659 172 HD2 ARG 967 2HD ARG 967 4.875 6.260 -12.938 173 HD3 ARG 967 1HD ARG 967 4.482 7.962 -13.169 174 HE ARG 967 HE ARG 967 6.740 6.909 -11.717 175 HH11 ARG 967 1HH2 ARG 967 4.486 9.505 -12.052 176 HH12 ARG 967 2HH2 ARG 967 5.528 10.695 -11.342 177 HH21 ARG 967 1HH1 ARG 967 8.126 8.458 -10.790 178 HH22 ARG 967 2HH1 ARG 967 7.597 10.101 -10.641 179 H LYS 968 H LYS 968 -0.868 5.381 -10.368 180 HA LYS 968 HA LYS 968 -2.577 6.945 -12.206 181 HB2 LYS 968 2HB LYS 968 -3.524 5.066 -13.251 182 HB3 LYS 968 1HB LYS 968 -1.806 4.699 -13.215 183 HG2 LYS 968 2HG LYS 968 -2.157 3.300 -11.201 184 HG3 LYS 968 1HG LYS 968 -3.877 3.654 -11.242 185 HD2 LYS 968 2HD LYS 968 -3.694 1.562 -12.328 186 HD3 LYS 968 1HD LYS 968 -3.860 2.734 -13.632 187 HE2 LYS 968 2HE LYS 968 -1.558 2.615 -14.187 188 HE3 LYS 968 1HE LYS 968 -1.136 1.854 -12.656 189 HZ1 LYS 968 3HZ LYS 968 -2.959 0.550 -14.578 190 HZ2 LYS 968 1HZ LYS 968 -2.071 -0.153 -13.314 191 HZ3 LYS 968 2HZ LYS 968 -1.273 0.390 -14.710 192 H GLU 969 H GLU 969 -4.521 7.449 -11.405 193 HA GLU 969 HA GLU 969 -5.018 7.221 -8.648 194 HB2 GLU 969 2HB GLU 969 -5.906 9.006 -10.124 195 HB3 GLU 969 1HB GLU 969 -7.001 7.831 -10.847 196 HG2 GLU 969 2HG GLU 969 -8.047 7.424 -8.669 197 HG3 GLU 969 1HG GLU 969 -6.928 8.553 -7.904 198 H MET 970 H MET 970 -5.899 5.712 -7.445 199 HA MET 970 HA MET 970 -7.585 3.611 -8.686 200 HB2 MET 970 2HB MET 970 -6.584 1.947 -7.270 201 HB3 MET 970 1HB MET 970 -5.262 2.814 -8.048 202 HG2 MET 970 2HG MET 970 -4.407 3.167 -5.958 203 HG3 MET 970 1HG MET 970 -5.732 4.281 -5.695 204 HE1 MET 970 3HE MET 970 -5.012 0.120 -4.152 205 HE2 MET 970 1HE MET 970 -4.276 0.951 -5.526 206 HE3 MET 970 2HE MET 970 -5.779 0.058 -5.733 207 H THR 971 H THR 971 -9.101 2.601 -7.080 208 HA THR 971 HA THR 971 -10.255 4.718 -5.435 209 HB THR 971 HB THR 971 -12.053 2.999 -5.056 210 HG1 THR 971 HG1 THR 971 -10.790 1.158 -5.405 211 HG21 THR 971 3HG2 THR 971 -11.221 3.807 -7.847 212 HG22 THR 971 1HG2 THR 971 -12.399 4.596 -6.796 213 HG23 THR 971 2HG2 THR 971 -12.764 3.025 -7.508 214 H VAL 972 H VAL 972 -10.813 4.454 -3.250 215 HA VAL 972 HA VAL 972 -8.783 3.340 -1.588 216 HB VAL 972 HB VAL 972 -11.510 4.554 -1.097 217 HG11 VAL 972 1HG1 VAL 972 -9.762 3.021 0.791 218 HG12 VAL 972 2HG1 VAL 972 -11.507 3.244 0.811 219 HG13 VAL 972 3HG1 VAL 972 -10.451 4.526 1.397 220 HG21 VAL 972 3HG2 VAL 972 -9.674 6.058 -1.734 221 HG22 VAL 972 1HG2 VAL 972 -8.667 5.404 -0.448 222 HG23 VAL 972 2HG2 VAL 972 -10.111 6.325 -0.046 223 H GLN 973 H GLN 973 -12.078 2.371 -2.473 224 HA GLN 973 HA GLN 973 -12.438 0.226 -0.766 225 HB2 GLN 973 2HB GLN 973 -13.283 0.652 -3.634 226 HB3 GLN 973 1HB GLN 973 -13.825 -0.710 -2.665 227 HG2 GLN 973 2HG GLN 973 -14.803 0.806 -1.015 228 HG3 GLN 973 1HG GLN 973 -14.169 2.198 -1.887 229 HE21 GLN 973 1HE2 GLN 973 -16.747 2.512 -1.685 230 HE22 GLN 973 2HE2 GLN 973 -17.611 2.014 -3.059 231 H GLN 974 H GLN 974 -10.916 0.253 -3.983 232 HA GLN 974 HA GLN 974 -10.249 -2.461 -4.158 233 HB2 GLN 974 2HB GLN 974 -9.198 0.083 -5.346 234 HB3 GLN 974 1HB GLN 974 -8.275 -1.396 -5.591 235 HG2 GLN 974 2HG GLN 974 -9.963 -0.875 -7.402 236 HG3 GLN 974 1HG GLN 974 -10.114 -2.474 -6.682 237 HE21 GLN 974 1HE2 GLN 974 -11.966 0.092 -7.685 238 HE22 GLN 974 2HE2 GLN 974 -13.303 -0.105 -6.651 239 H PHE 975 H PHE 975 -8.461 0.260 -2.711 240 HA PHE 975 HA PHE 975 -6.109 -1.150 -2.089 241 HB2 PHE 975 2HB PHE 975 -6.086 1.229 -1.996 242 HB3 PHE 975 1HB PHE 975 -7.414 1.272 -0.848 243 HD1 PHE 975 HD1 PHE 975 -3.967 -0.203 -1.180 244 HD2 PHE 975 HD2 PHE 975 -6.903 1.575 1.399 245 HE1 PHE 975 HE1 PHE 975 -2.350 -0.225 0.694 246 HE2 PHE 975 HE2 PHE 975 -5.284 1.528 3.278 247 HZ PHE 975 HZ PHE 975 -3.001 0.631 2.919 248 H LEU 976 H LEU 976 -9.082 -0.639 -0.184 249 HA LEU 976 HA LEU 976 -8.244 -2.052 2.125 250 HB2 LEU 976 2HB LEU 976 -10.855 -1.173 0.978 251 HB3 LEU 976 1HB LEU 976 -10.924 -2.431 2.204 252 HG LEU 976 HG LEU 976 -9.797 -1.014 3.806 253 HD11 LEU 976 1HD1 LEU 976 -9.372 1.430 3.078 254 HD12 LEU 976 2HD1 LEU 976 -9.398 0.795 1.432 255 HD13 LEU 976 3HD1 LEU 976 -8.209 0.200 2.591 256 HD21 LEU 976 3HD2 LEU 976 -11.875 0.655 2.371 257 HD22 LEU 976 1HD2 LEU 976 -11.505 0.661 4.097 258 HD23 LEU 976 2HD2 LEU 976 -12.268 -0.749 3.362 259 H ASP 977 H ASP 977 -9.834 -3.110 -0.853 260 HA ASP 977 HA ASP 977 -10.329 -5.775 -0.024 261 HB2 ASP 977 2HB ASP 977 -11.308 -4.583 -2.034 262 HB3 ASP 977 1HB ASP 977 -9.768 -4.855 -2.848 263 H LEU 978 H LEU 978 -7.588 -4.242 -1.674 264 HA LEU 978 HA LEU 978 -6.133 -6.602 -2.190 265 HB2 LEU 978 2HB LEU 978 -5.652 -4.551 -3.373 266 HB3 LEU 978 1HB LEU 978 -5.236 -3.734 -1.870 267 HG LEU 978 HG LEU 978 -3.298 -5.184 -1.559 268 HD11 LEU 978 1HD1 LEU 978 -3.966 -7.288 -2.441 269 HD12 LEU 978 2HD1 LEU 978 -2.708 -6.727 -3.533 270 HD13 LEU 978 3HD1 LEU 978 -4.402 -6.586 -4.000 271 HD21 LEU 978 3HD2 LEU 978 -1.950 -4.366 -3.373 272 HD22 LEU 978 1HD2 LEU 978 -3.187 -3.150 -3.062 273 HD23 LEU 978 2HD2 LEU 978 -3.352 -4.246 -4.435 274 H LYS 979 H LYS 979 -5.850 -4.245 0.486 275 HA LYS 979 HA LYS 979 -3.747 -5.657 1.788 276 HB2 LYS 979 2HB LYS 979 -3.941 -4.027 3.468 277 HB3 LYS 979 1HB LYS 979 -4.535 -3.176 2.045 278 HG2 LYS 979 2HG LYS 979 -6.852 -3.818 2.706 279 HG3 LYS 979 1HG LYS 979 -6.211 -4.453 4.205 280 HD2 LYS 979 2HD LYS 979 -5.189 -2.180 4.623 281 HD3 LYS 979 1HD LYS 979 -6.107 -1.602 3.230 282 HE2 LYS 979 2HE LYS 979 -8.178 -2.584 4.385 283 HE3 LYS 979 1HE LYS 979 -7.181 -2.716 5.831 284 HZ1 LYS 979 3HZ LYS 979 -8.213 -0.656 6.014 285 HZ2 LYS 979 1HZ LYS 979 -7.984 -0.275 4.375 286 HZ3 LYS 979 2HZ LYS 979 -6.660 -0.276 5.438 287 H GLU 980 H GLU 980 -7.283 -5.612 2.150 288 HA GLU 980 HA GLU 980 -7.509 -7.178 4.417 289 HB2 GLU 980 2HB GLU 980 -9.433 -6.125 3.304 290 HB3 GLU 980 1HB GLU 980 -9.267 -7.240 1.948 291 HG2 GLU 980 2HG GLU 980 -9.713 -9.145 3.414 292 HG3 GLU 980 1HG GLU 980 -9.792 -8.077 4.817 293 H ARG 981 H ARG 981 -7.378 -8.294 1.008 294 HA ARG 981 HA ARG 981 -7.338 -11.049 1.662 295 HB2 ARG 981 2HB ARG 981 -6.457 -9.541 -0.793 296 HB3 ARG 981 1HB ARG 981 -6.398 -11.302 -0.678 297 HG2 ARG 981 2HG ARG 981 -8.811 -11.352 -0.173 298 HG3 ARG 981 1HG ARG 981 -8.873 -9.594 -0.282 299 HD2 ARG 981 2HD ARG 981 -8.191 -9.698 -2.640 300 HD3 ARG 981 1HD ARG 981 -8.056 -11.452 -2.531 301 HE ARG 981 HE ARG 981 -10.641 -10.759 -1.719 302 HH11 ARG 981 1HH2 ARG 981 -8.653 -10.535 -4.549 303 HH12 ARG 981 2HH2 ARG 981 -9.976 -10.746 -5.649 304 HH21 ARG 981 1HH1 ARG 981 -12.364 -11.007 -3.151 305 HH22 ARG 981 2HH1 ARG 981 -12.076 -11.033 -4.857 306 H ALA 982 H ALA 982 -4.672 -8.758 0.976 307 HA ALA 982 HA ALA 982 -2.610 -10.655 1.092 308 HB1 ALA 982 3HB ALA 982 -1.928 -7.955 2.096 309 HB2 ALA 982 1HB ALA 982 -2.736 -7.985 0.535 310 HB3 ALA 982 2HB ALA 982 -1.228 -8.852 0.769 311 H LEU 983 H LEU 983 -3.831 -8.501 3.631 312 HA LEU 983 HA LEU 983 -2.159 -9.489 5.687 313 HB2 LEU 983 2HB LEU 983 -4.684 -7.862 5.590 314 HB3 LEU 983 1HB LEU 983 -4.085 -8.447 7.140 315 HG LEU 983 HG LEU 983 -2.035 -7.258 6.924 316 HD11 LEU 983 1HD1 LEU 983 -2.807 -6.908 4.036 317 HD12 LEU 983 2HD1 LEU 983 -1.327 -7.584 4.694 318 HD13 LEU 983 3HD1 LEU 983 -1.625 -5.854 4.799 319 HD21 LEU 983 3HD2 LEU 983 -4.392 -5.612 5.988 320 HD22 LEU 983 1HD2 LEU 983 -2.845 -4.894 6.421 321 HD23 LEU 983 2HD2 LEU 983 -3.771 -5.781 7.630 322 H SER 984 H SER 984 -5.109 -10.636 4.276 323 HA SER 984 HA SER 984 -5.842 -12.342 6.482 324 HB2 SER 984 2HB SER 984 -7.582 -11.555 5.018 325 HB3 SER 984 1HB SER 984 -6.745 -12.184 3.602 326 HG SER 984 HG SER 984 -6.964 -14.210 5.210 327 H GLY 985 H GLY 985 -3.249 -12.464 4.531 328 HA2 GLY 985 2HA GLY 985 -1.681 -14.195 4.405 329 HA3 GLY 985 1HA GLY 985 -2.912 -15.330 4.937 330 H ALA 986 H ALA 986 -3.479 -13.119 2.263 331 HA ALA 986 HA ALA 986 -4.185 -15.253 0.513 332 HB1 ALA 986 3HB ALA 986 -3.666 -12.326 0.036 333 HB2 ALA 986 1HB ALA 986 -5.214 -13.125 0.177 334 HB3 ALA 986 2HB ALA 986 -4.206 -13.422 -1.228 335 H SER 987 H SER 987 -3.108 -16.084 -1.263 336 HA SER 987 HA SER 987 -0.186 -15.706 -1.233 337 HB2 SER 987 2HB SER 987 -1.861 -17.855 -2.552 338 HB3 SER 987 1HB SER 987 -0.102 -17.793 -2.525 339 HG SER 987 HG SER 987 -1.828 -17.927 -0.272 340 H ASP 988 H ASP 988 -2.893 -14.673 -2.938 341 HA ASP 988 HA ASP 988 -2.299 -14.737 -5.599 342 HB2 ASP 988 2HB ASP 988 -3.347 -12.417 -3.962 343 HB3 ASP 988 1HB ASP 988 -3.297 -12.409 -5.721 344 HA PRO 989 HA PRO 989 1.662 -12.816 -6.118 345 HB2 PRO 989 2HB PRO 989 1.309 -11.475 -8.526 346 HB3 PRO 989 1HB PRO 989 1.625 -13.214 -8.381 347 HG2 PRO 989 2HG PRO 989 -0.977 -11.797 -8.766 348 HG3 PRO 989 1HG PRO 989 -0.384 -13.289 -9.522 349 HD2 PRO 989 2HD PRO 989 -2.152 -13.362 -7.487 350 HD3 PRO 989 1HD PRO 989 -0.886 -14.601 -7.648 351 H ASP 990 H ASP 990 -1.215 -10.835 -6.455 352 HA ASP 990 HA ASP 990 0.089 -8.307 -6.188 353 HB2 ASP 990 2HB ASP 990 -2.787 -9.155 -5.792 354 HB3 ASP 990 1HB ASP 990 -2.231 -7.486 -5.694 355 H SER 991 H SER 991 -1.087 -10.712 -3.954 356 HA SER 991 HA SER 991 -1.196 -9.006 -1.653 357 HB2 SER 991 2HB SER 991 -2.482 -10.913 -1.375 358 HB3 SER 991 1HB SER 991 -1.293 -11.955 -2.146 359 HG SER 991 HG SER 991 -0.494 -10.641 0.167 360 H GLN 992 H GLN 992 1.133 -11.497 -2.704 361 HA GLN 992 HA GLN 992 2.948 -10.982 -0.596 362 HB2 GLN 992 2HB GLN 992 4.584 -12.044 -2.465 363 HB3 GLN 992 1HB GLN 992 3.446 -13.015 -1.535 364 HG2 GLN 992 2HG GLN 992 1.904 -13.160 -3.285 365 HG3 GLN 992 1HG GLN 992 2.563 -11.756 -4.118 366 HE21 GLN 992 1HE2 GLN 992 5.289 -12.359 -4.216 367 HE22 GLN 992 2HE2 GLN 992 5.525 -13.762 -5.146 368 H ARG 993 H ARG 993 2.536 -9.674 -3.829 369 HA ARG 993 HA ARG 993 4.900 -8.081 -3.863 370 HB2 ARG 993 2HB ARG 993 2.277 -7.928 -5.359 371 HB3 ARG 993 1HB ARG 993 3.590 -6.783 -5.634 372 HG2 ARG 993 2HG ARG 993 4.228 -9.725 -5.699 373 HG3 ARG 993 1HG ARG 993 3.396 -9.019 -7.083 374 HD2 ARG 993 2HD ARG 993 5.974 -7.923 -5.923 375 HD3 ARG 993 1HD ARG 993 5.888 -9.006 -7.311 376 HE ARG 993 HE ARG 993 4.179 -6.914 -7.904 377 HH11 ARG 993 1HH2 ARG 993 7.529 -7.353 -7.140 378 HH12 ARG 993 2HH2 ARG 993 8.062 -5.999 -8.080 379 HH21 ARG 993 1HH1 ARG 993 4.870 -5.116 -9.108 380 HH22 ARG 993 2HH1 ARG 993 6.558 -4.731 -9.183 381 H TYR 994 H TYR 994 1.583 -7.549 -2.759 382 HA TYR 994 HA TYR 994 1.812 -4.788 -2.187 383 HB2 TYR 994 2HB TYR 994 -0.362 -5.891 -2.263 384 HB3 TYR 994 1HB TYR 994 0.082 -6.907 -0.888 385 HD1 TYR 994 HD1 TYR 994 -0.057 -3.302 -1.882 386 HD2 TYR 994 HD2 TYR 994 -0.509 -6.182 1.274 387 HE1 TYR 994 HE1 TYR 994 -0.784 -1.507 -0.348 388 HE2 TYR 994 HE2 TYR 994 -1.244 -4.381 2.813 389 HH TYR 994 HH TYR 994 -0.732 -1.233 2.334 390 H ASN 995 H ASN 995 2.327 -7.686 -0.184 391 HA ASN 995 HA ASN 995 3.007 -6.371 2.211 392 HB2 ASN 995 2HB ASN 995 3.947 -9.022 1.089 393 HB3 ASN 995 1HB ASN 995 4.235 -8.487 2.745 394 HD21 ASN 995 1HD2 ASN 995 2.606 -10.825 1.897 395 HD22 ASN 995 2HD2 ASN 995 1.040 -10.535 2.485 396 H ALA 996 H ALA 996 4.891 -7.295 -0.642 397 HA ALA 996 HA ALA 996 7.440 -6.528 0.359 398 HB1 ALA 996 3HB ALA 996 6.503 -6.475 -2.492 399 HB2 ALA 996 1HB ALA 996 7.111 -7.917 -1.697 400 HB3 ALA 996 2HB ALA 996 8.165 -6.520 -1.954 401 H TRP 997 H TRP 997 4.920 -4.807 -1.446 402 HA TRP 997 HA TRP 997 6.318 -2.451 -1.897 403 HB2 TRP 997 2HB TRP 997 4.195 -2.746 -2.972 404 HB3 TRP 997 1HB TRP 997 3.361 -2.903 -1.430 405 HD1 TRP 997 HD TRP 997 5.369 -0.277 -3.419 406 HE1 TRP 997 HE1 TRP 997 4.493 2.062 -2.779 407 HE3 TRP 997 HE3 TRP 997 2.000 -1.558 0.198 408 HZ2 TRP 997 HZ2 TRP 997 2.608 3.234 -0.965 409 HZ3 TRP 997 HZ3 TRP 997 0.676 0.182 1.360 410 HH2 TRP 997 HH TRP 997 0.977 2.575 0.789 411 H LEU 998 H LEU 998 4.555 -3.575 0.955 412 HA LEU 998 HA LEU 998 4.826 -1.174 2.463 413 HB2 LEU 998 2HB LEU 998 4.552 -4.061 3.335 414 HB3 LEU 998 1HB LEU 998 4.521 -2.698 4.446 415 HG LEU 998 HG LEU 998 2.613 -2.994 2.100 416 HD11 LEU 998 1HD1 LEU 998 2.417 -4.809 3.867 417 HD12 LEU 998 2HD1 LEU 998 0.968 -3.832 3.643 418 HD13 LEU 998 3HD1 LEU 998 2.026 -3.536 5.022 419 HD21 LEU 998 3HD2 LEU 998 2.607 -0.716 2.701 420 HD22 LEU 998 1HD2 LEU 998 2.892 -1.060 4.407 421 HD23 LEU 998 2HD2 LEU 998 1.306 -1.356 3.695 422 H GLU 999 H GLU 999 6.813 -4.040 1.979 423 HA GLU 999 HA GLU 999 8.809 -3.436 3.905 424 HB2 GLU 999 2HB GLU 999 8.507 -5.675 2.933 425 HB3 GLU 999 1HB GLU 999 8.998 -5.072 1.351 426 HG2 GLU 999 2HG GLU 999 11.206 -4.475 2.250 427 HG3 GLU 999 1HG GLU 999 10.721 -5.039 3.849 428 H LEU1000 H LEU1000 8.554 -2.721 0.422 429 HA LEU1000 HA LEU1000 11.070 -1.456 0.132 430 HB2 LEU1000 2HB LEU1000 8.463 -0.887 -1.319 431 HB3 LEU1000 1HB LEU1000 10.055 -0.355 -1.845 432 HG LEU1000 HG LEU1000 9.123 -3.226 -1.590 433 HD11 LEU1000 1HD1 LEU1000 9.643 -1.394 -3.929 434 HD12 LEU1000 2HD1 LEU1000 8.163 -2.272 -3.541 435 HD13 LEU1000 3HD1 LEU1000 9.588 -3.147 -4.101 436 HD21 LEU1000 3HD2 LEU1000 11.813 -2.000 -2.139 437 HD22 LEU1000 1HD2 LEU1000 11.394 -3.552 -2.863 438 HD23 LEU1000 2HD2 LEU1000 11.408 -3.377 -1.112 439 H ARG1001 H ARG1001 7.857 -0.307 0.971 440 HA ARG1001 HA ARG1001 8.406 2.431 1.163 441 HB2 ARG1001 2HB ARG1001 6.166 1.724 1.156 442 HB3 ARG1001 1HB ARG1001 6.406 0.635 2.512 443 HG2 ARG1001 2HG ARG1001 6.630 2.442 4.048 444 HG3 ARG1001 1HG ARG1001 6.796 3.615 2.746 445 HD2 ARG1001 2HD ARG1001 4.473 3.158 2.048 446 HD3 ARG1001 1HD ARG1001 4.320 1.962 3.327 447 HE ARG1001 HE ARG1001 4.292 4.862 3.653 448 HH11 ARG1001 1HH2 ARG1001 4.636 1.738 5.087 449 HH12 ARG1001 2HH2 ARG1001 4.117 2.242 6.661 450 HH21 ARG1001 1HH1 ARG1001 3.606 5.544 5.710 451 HH22 ARG1001 2HH1 ARG1001 3.534 4.407 7.018 452 H ALA1002 H ALA1002 8.711 -0.165 3.521 453 HA ALA1002 HA ALA1002 9.333 1.417 5.748 454 HB1 ALA1002 3HB ALA1002 8.831 -1.060 5.789 455 HB2 ALA1002 1HB ALA1002 10.254 -0.592 6.726 456 HB3 ALA1002 2HB ALA1002 10.447 -1.331 5.138 457 H LYS1003 H LYS1003 11.183 0.188 3.059 458 HA LYS1003 HA LYS1003 13.749 0.958 4.082 459 HB2 LYS1003 2HB LYS1003 12.845 0.278 1.277 460 HB3 LYS1003 1HB LYS1003 14.517 0.571 1.738 461 HG2 LYS1003 2HG LYS1003 14.406 -1.253 3.369 462 HG3 LYS1003 1HG LYS1003 12.729 -1.546 2.952 463 HD2 LYS1003 2HD LYS1003 13.345 -2.119 0.663 464 HD3 LYS1003 1HD LYS1003 15.033 -1.729 0.994 465 HE2 LYS1003 2HE LYS1003 15.175 -3.527 2.627 466 HE3 LYS1003 1HE LYS1003 13.461 -3.887 2.435 467 HZ1 LYS1003 3HZ LYS1003 14.602 -5.418 1.091 468 HZ2 LYS1003 1HZ LYS1003 15.640 -4.234 0.463 469 HZ3 LYS1003 2HZ LYS1003 14.004 -4.253 0.009 470 H ARG1004 H ARG1004 11.301 2.501 2.085 471 HA ARG1004 HA ARG1004 12.959 4.754 1.358 472 HB2 ARG1004 2HB ARG1004 9.953 4.410 1.177 473 HB3 ARG1004 1HB ARG1004 10.904 5.643 0.355 474 HG2 ARG1004 2HG ARG1004 11.590 2.745 -0.067 475 HG3 ARG1004 1HG ARG1004 10.220 3.432 -0.924 476 HD2 ARG1004 2HD ARG1004 12.988 4.663 -0.962 477 HD3 ARG1004 1HD ARG1004 12.409 3.531 -2.182 478 HE ARG1004 HE ARG1004 10.491 5.532 -2.015 479 HH11 ARG1004 1HH2 ARG1004 13.861 5.223 -2.726 480 HH12 ARG1004 2HH2 ARG1004 13.893 6.556 -3.831 481 HH21 ARG1004 1HH1 ARG1004 10.518 7.276 -3.475 482 HH22 ARG1004 2HH1 ARG1004 12.001 7.713 -4.260 483 H LEU1005 H LEU1005 13.622 6.005 3.064 484 HA LEU1005 HA LEU1005 11.642 6.843 5.089 485 HB2 LEU1005 2HB LEU1005 14.631 7.390 5.018 486 HB3 LEU1005 1HB LEU1005 13.539 7.721 6.352 487 HG LEU1005 HG LEU1005 14.500 5.727 7.067 488 HD11 LEU1005 1HD1 LEU1005 12.017 5.442 6.897 489 HD12 LEU1005 2HD1 LEU1005 12.915 3.927 6.846 490 HD13 LEU1005 3HD1 LEU1005 12.262 4.608 5.360 491 HD21 LEU1005 3HD2 LEU1005 15.977 5.035 5.440 492 HD22 LEU1005 1HD2 LEU1005 14.795 5.155 4.146 493 HD23 LEU1005 2HD2 LEU1005 14.757 3.779 5.249 494 H SER1006 H SER1006 11.524 9.090 5.694 495 HA SER1006 HA SER1006 10.789 10.826 3.735 496 HB2 SER1006 2HB SER1006 10.934 12.573 5.319 497 HB3 SER1006 1HB SER1006 10.668 11.125 6.287 498 HG SER1006 HG SER1006 13.068 12.551 5.810 Start of MODEL 2 1 HA2 GLY 945 2HA GLY 945 -22.507 10.655 6.400 2 HA3 GLY 945 1HA GLY 945 -23.788 10.138 5.301 3 H ALA 946 H ALA 946 -23.175 8.504 3.650 4 HA ALA 946 HA ALA 946 -21.935 6.252 4.841 5 HB1 ALA 946 3HB ALA 946 -22.356 5.137 2.763 6 HB2 ALA 946 1HB ALA 946 -22.441 6.669 1.893 7 HB3 ALA 946 2HB ALA 946 -23.712 6.233 3.037 8 H MET 947 H MET 947 -19.948 5.264 4.421 9 HA MET 947 HA MET 947 -17.641 5.375 4.216 10 HB2 MET 947 2HB MET 947 -18.646 6.166 1.477 11 HB3 MET 947 1HB MET 947 -16.952 5.818 1.822 12 HG2 MET 947 2HG MET 947 -17.536 3.571 2.596 13 HG3 MET 947 1HG MET 947 -19.249 3.908 2.347 14 HE1 MET 947 3HE MET 947 -19.881 3.993 -1.288 15 HE2 MET 947 1HE MET 947 -20.139 4.864 0.231 16 HE3 MET 947 2HE MET 947 -20.440 3.131 0.142 17 H ALA 948 H ALA 948 -19.056 7.882 5.080 18 HA ALA 948 HA ALA 948 -17.585 10.094 3.980 19 HB1 ALA 948 3HB ALA 948 -18.644 11.375 5.804 20 HB2 ALA 948 1HB ALA 948 -19.227 9.871 6.515 21 HB3 ALA 948 2HB ALA 948 -19.825 10.391 4.939 22 H ILE 949 H ILE 949 -16.573 7.595 5.831 23 HA ILE 949 HA ILE 949 -15.147 8.817 7.949 24 HB ILE 949 HB ILE 949 -14.349 6.306 6.461 25 HG12 ILE 949 2HG1 ILE 949 -16.692 6.073 7.046 26 HG13 ILE 949 1HG1 ILE 949 -15.743 5.132 8.193 27 HG21 ILE 949 1HG2 ILE 949 -13.976 7.203 9.333 28 HG22 ILE 949 2HG2 ILE 949 -12.720 7.201 8.096 29 HG23 ILE 949 3HG2 ILE 949 -13.414 5.677 8.651 30 HD11 ILE 949 3HD1 ILE 949 -17.094 7.799 8.635 31 HD12 ILE 949 1HD1 ILE 949 -15.824 7.216 9.711 32 HD13 ILE 949 2HD1 ILE 949 -17.318 6.299 9.528 33 H ALA 950 H ALA 950 -14.258 8.002 4.632 34 HA ALA 950 HA ALA 950 -12.544 8.712 3.296 35 HB1 ALA 950 3HB ALA 950 -12.036 10.990 5.193 36 HB2 ALA 950 1HB ALA 950 -13.517 10.941 4.236 37 HB3 ALA 950 2HB ALA 950 -11.947 10.967 3.431 38 H LEU 951 H LEU 951 -12.051 6.977 5.695 39 HA LEU 951 HA LEU 951 -10.261 6.034 6.804 40 HB2 LEU 951 2HB LEU 951 -9.257 6.959 4.165 41 HB3 LEU 951 1HB LEU 951 -8.004 6.613 5.349 42 HG LEU 951 HG LEU 951 -8.882 4.356 5.664 43 HD11 LEU 951 1HD1 LEU 951 -11.219 4.524 5.367 44 HD12 LEU 951 2HD1 LEU 951 -10.686 3.619 3.955 45 HD13 LEU 951 3HD1 LEU 951 -11.050 5.339 3.812 46 HD21 LEU 951 3HD2 LEU 951 -8.250 3.459 3.512 47 HD22 LEU 951 1HD2 LEU 951 -7.292 4.918 3.774 48 HD23 LEU 951 2HD2 LEU 951 -8.690 4.961 2.700 49 H ARG 952 H ARG 952 -8.134 6.503 7.876 50 HA ARG 952 HA ARG 952 -8.307 9.040 9.226 51 HB2 ARG 952 2HB ARG 952 -6.253 6.823 9.405 52 HB3 ARG 952 1HB ARG 952 -6.309 8.227 10.461 53 HG2 ARG 952 2HG ARG 952 -7.569 6.835 11.789 54 HG3 ARG 952 1HG ARG 952 -8.881 7.352 10.735 55 HD2 ARG 952 2HD ARG 952 -9.034 4.991 10.765 56 HD3 ARG 952 1HD ARG 952 -8.225 5.353 9.244 57 HE ARG 952 HE ARG 952 -6.175 4.999 11.036 58 HH11 ARG 952 1HH2 ARG 952 -8.937 3.201 9.989 59 HH12 ARG 952 2HH2 ARG 952 -8.225 1.654 10.304 60 HH21 ARG 952 1HH1 ARG 952 -5.218 2.964 11.416 61 HH22 ARG 952 2HH1 ARG 952 -6.119 1.520 11.093 62 H ASP 953 H ASP 953 -6.312 10.406 9.499 63 HA ASP 953 HA ASP 953 -5.459 11.398 6.995 64 HB2 ASP 953 2HB ASP 953 -3.846 12.737 8.337 65 HB3 ASP 953 1HB ASP 953 -5.489 12.820 8.972 66 H ASP 954 H ASP 954 -3.937 9.222 9.346 67 HA ASP 954 HA ASP 954 -1.432 9.040 7.992 68 HB2 ASP 954 2HB ASP 954 -1.905 8.427 10.412 69 HB3 ASP 954 1HB ASP 954 -2.644 6.949 9.804 70 H GLU 955 H GLU 955 -4.397 7.123 7.982 71 HA GLU 955 HA GLU 955 -3.463 5.108 6.198 72 HB2 GLU 955 2HB GLU 955 -6.268 6.027 6.878 73 HB3 GLU 955 1HB GLU 955 -5.875 4.573 5.961 74 HG2 GLU 955 2HG GLU 955 -4.823 5.121 8.745 75 HG3 GLU 955 1HG GLU 955 -6.277 4.180 8.425 76 H TYR 956 H TYR 956 -5.141 8.178 5.793 77 HA TYR 956 HA TYR 956 -5.839 7.956 3.090 78 HB2 TYR 956 2HB TYR 956 -6.690 9.762 4.491 79 HB3 TYR 956 1HB TYR 956 -5.061 10.406 4.696 80 HD1 TYR 956 HD2 TYR 956 -3.909 11.547 2.865 81 HD2 TYR 956 HD1 TYR 956 -7.880 9.986 2.371 82 HE1 TYR 956 HE2 TYR 956 -4.164 12.860 0.777 83 HE2 TYR 956 HE1 TYR 956 -8.136 11.301 0.286 84 HH TYR 956 HH TYR 956 -7.066 13.472 -0.665 85 H ASP 957 H ASP 957 -2.870 9.088 4.653 86 HA ASP 957 HA ASP 957 -1.531 9.908 2.293 87 HB2 ASP 957 2HB ASP 957 -0.680 9.173 5.084 88 HB3 ASP 957 1HB ASP 957 0.552 9.371 3.840 89 H GLU 958 H GLU 958 -1.752 6.821 4.005 90 HA GLU 958 HA GLU 958 0.204 5.437 2.495 91 HB2 GLU 958 2HB GLU 958 -0.670 4.637 4.667 92 HB3 GLU 958 1HB GLU 958 -2.232 4.325 3.910 93 HG2 GLU 958 2HG GLU 958 -1.194 2.712 2.379 94 HG3 GLU 958 1HG GLU 958 0.393 3.061 3.063 95 H TRP 959 H TRP 959 -3.323 5.752 2.125 96 HA TRP 959 HA TRP 959 -3.592 4.017 -0.079 97 HB2 TRP 959 2HB TRP 959 -5.549 4.686 1.119 98 HB3 TRP 959 1HB TRP 959 -5.195 6.390 0.872 99 HD1 TRP 959 HD TRP 959 -5.508 3.418 -1.615 100 HE1 TRP 959 HE1 TRP 959 -7.121 4.162 -3.495 101 HE3 TRP 959 HE3 TRP 959 -6.647 8.088 0.039 102 HZ2 TRP 959 HZ2 TRP 959 -8.688 6.478 -4.191 103 HZ3 TRP 959 HZ3 TRP 959 -8.196 9.545 -1.231 104 HH2 TRP 959 HH TRP 959 -9.220 8.749 -3.344 105 H GLN 960 H GLN 960 -3.145 7.568 0.049 106 HA GLN 960 HA GLN 960 -3.080 7.925 -2.747 107 HB2 GLN 960 2HB GLN 960 -1.859 9.527 -0.497 108 HB3 GLN 960 1HB GLN 960 -1.832 10.053 -2.179 109 HG2 GLN 960 2HG GLN 960 -4.361 9.375 -0.648 110 HG3 GLN 960 1HG GLN 960 -3.739 11.012 -0.859 111 HE21 GLN 960 1HE2 GLN 960 -5.905 8.817 -2.183 112 HE22 GLN 960 2HE2 GLN 960 -5.987 9.447 -3.754 113 H ASP 961 H ASP 961 -0.582 7.116 -0.412 114 HA ASP 961 HA ASP 961 1.633 7.426 -2.143 115 HB2 ASP 961 2HB ASP 961 1.135 5.986 0.442 116 HB3 ASP 961 1HB ASP 961 2.631 5.675 -0.429 117 H ILE 962 H ILE 962 -0.569 4.674 -1.568 118 HA ILE 962 HA ILE 962 1.064 2.854 -3.058 119 HB ILE 962 HB ILE 962 -0.999 2.396 -1.370 120 HG12 ILE 962 2HG1 ILE 962 -1.153 0.091 -2.507 121 HG13 ILE 962 1HG1 ILE 962 -0.071 0.748 -3.728 122 HG21 ILE 962 1HG2 ILE 962 -2.663 3.349 -3.020 123 HG22 ILE 962 2HG2 ILE 962 -2.997 1.693 -2.543 124 HG23 ILE 962 3HG2 ILE 962 -2.258 2.037 -4.103 125 HD11 ILE 962 3HD1 ILE 962 1.057 1.346 -1.148 126 HD12 ILE 962 1HD1 ILE 962 1.698 0.303 -2.419 127 HD13 ILE 962 2HD1 ILE 962 0.621 -0.361 -1.195 128 H ILE 963 H ILE 963 -1.603 5.020 -3.791 129 HA ILE 963 HA ILE 963 -2.074 4.212 -6.447 130 HB ILE 963 HB ILE 963 -2.360 6.926 -5.134 131 HG12 ILE 963 2HG1 ILE 963 -4.370 4.772 -5.833 132 HG13 ILE 963 1HG1 ILE 963 -3.734 5.059 -4.223 133 HG21 ILE 963 1HG2 ILE 963 -3.847 7.463 -7.043 134 HG22 ILE 963 2HG2 ILE 963 -3.458 5.909 -7.771 135 HG23 ILE 963 3HG2 ILE 963 -2.210 7.147 -7.607 136 HD11 ILE 963 3HD1 ILE 963 -5.264 6.666 -3.871 137 HD12 ILE 963 1HD1 ILE 963 -5.967 6.301 -5.442 138 HD13 ILE 963 2HD1 ILE 963 -4.735 7.554 -5.296 139 H ARG 964 H ARG 964 0.189 6.524 -5.023 140 HA ARG 964 HA ARG 964 1.321 7.494 -7.418 141 HB2 ARG 964 2HB ARG 964 1.718 8.504 -5.174 142 HB3 ARG 964 1HB ARG 964 2.694 7.098 -4.746 143 HG2 ARG 964 2HG ARG 964 4.237 7.580 -6.596 144 HG3 ARG 964 1HG ARG 964 3.251 8.962 -7.071 145 HD2 ARG 964 2HD ARG 964 5.155 9.721 -5.728 146 HD3 ARG 964 1HD ARG 964 3.650 9.990 -4.854 147 HE ARG 964 HE ARG 964 4.303 8.378 -3.298 148 HH11 ARG 964 1HH2 ARG 964 6.308 8.279 -6.116 149 HH12 ARG 964 2HH2 ARG 964 7.536 7.305 -5.376 150 HH21 ARG 964 1HH1 ARG 964 5.891 7.093 -2.328 151 HH22 ARG 964 2HH1 ARG 964 7.306 6.646 -3.220 152 H ASP 965 H ASP 965 2.084 4.705 -5.367 153 HA ASP 965 HA ASP 965 4.410 3.857 -6.693 154 HB2 ASP 965 2HB ASP 965 3.511 3.031 -4.475 155 HB3 ASP 965 1HB ASP 965 2.394 2.025 -5.397 156 H TRP 966 H TRP 966 0.987 3.017 -7.320 157 HA TRP 966 HA TRP 966 1.703 1.214 -9.456 158 HB2 TRP 966 2HB TRP 966 -1.012 2.430 -8.957 159 HB3 TRP 966 1HB TRP 966 -0.640 0.967 -9.863 160 HD1 TRP 966 HD TRP 966 -1.956 1.921 -6.693 161 HE1 TRP 966 HE1 TRP 966 -1.635 0.110 -4.897 162 HE3 TRP 966 HE3 TRP 966 1.539 -1.026 -9.001 163 HZ2 TRP 966 HZ2 TRP 966 -0.111 -2.265 -4.482 164 HZ3 TRP 966 HZ3 TRP 966 2.400 -3.052 -7.873 165 HH2 TRP 966 HH TRP 966 1.578 -3.678 -5.621 166 H ARG 967 H ARG 967 1.890 4.470 -9.268 167 HA ARG 967 HA ARG 967 1.968 6.184 -10.797 168 HB2 ARG 967 2HB ARG 967 2.581 3.836 -12.598 169 HB3 ARG 967 1HB ARG 967 2.810 5.527 -13.045 170 HG2 ARG 967 2HG ARG 967 4.350 5.827 -11.137 171 HG3 ARG 967 1HG ARG 967 4.126 4.134 -10.694 172 HD2 ARG 967 2HD ARG 967 5.129 5.000 -13.412 173 HD3 ARG 967 1HD ARG 967 6.207 4.634 -12.067 174 HE ARG 967 HE ARG 967 4.603 2.424 -12.236 175 HH11 ARG 967 1HH2 ARG 967 6.520 4.238 -14.477 176 HH12 ARG 967 2HH2 ARG 967 6.943 2.861 -15.440 177 HH21 ARG 967 1HH1 ARG 967 5.151 0.618 -13.501 178 HH22 ARG 967 2HH1 ARG 967 6.141 0.821 -14.906 179 H LYS 968 H LYS 968 -0.683 5.375 -10.286 180 HA LYS 968 HA LYS 968 -1.944 6.435 -12.631 181 HB2 LYS 968 2HB LYS 968 -3.444 4.566 -13.106 182 HB3 LYS 968 1HB LYS 968 -1.767 4.088 -13.341 183 HG2 LYS 968 2HG LYS 968 -1.752 3.038 -11.105 184 HG3 LYS 968 1HG LYS 968 -3.439 3.507 -10.874 185 HD2 LYS 968 2HD LYS 968 -3.996 2.221 -12.976 186 HD3 LYS 968 1HD LYS 968 -2.338 1.625 -12.979 187 HE2 LYS 968 2HE LYS 968 -3.501 -0.079 -11.857 188 HE3 LYS 968 1HE LYS 968 -2.851 0.880 -10.530 189 HZ1 LYS 968 3HZ LYS 968 -5.023 0.726 -9.912 190 HZ2 LYS 968 1HZ LYS 968 -5.604 0.678 -11.503 191 HZ3 LYS 968 2HZ LYS 968 -5.096 2.154 -10.832 192 H GLU 969 H GLU 969 -4.581 5.436 -12.018 193 HA GLU 969 HA GLU 969 -5.031 6.753 -9.387 194 HB2 GLU 969 2HB GLU 969 -5.844 8.192 -11.108 195 HB3 GLU 969 1HB GLU 969 -6.617 6.859 -11.955 196 HG2 GLU 969 2HG GLU 969 -7.420 7.485 -9.115 197 HG3 GLU 969 1HG GLU 969 -8.065 8.457 -10.435 198 H MET 970 H MET 970 -6.219 5.718 -7.902 199 HA MET 970 HA MET 970 -7.831 3.368 -8.694 200 HB2 MET 970 2HB MET 970 -6.146 3.309 -6.195 201 HB3 MET 970 1HB MET 970 -6.926 1.973 -7.037 202 HG2 MET 970 2HG MET 970 -5.333 2.635 -9.013 203 HG3 MET 970 1HG MET 970 -4.404 3.444 -7.751 204 HE1 MET 970 3HE MET 970 -4.150 2.335 -5.430 205 HE2 MET 970 1HE MET 970 -3.883 0.609 -5.155 206 HE3 MET 970 2HE MET 970 -5.520 1.232 -5.327 207 H THR 971 H THR 971 -8.842 2.564 -6.424 208 HA THR 971 HA THR 971 -10.121 4.926 -5.157 209 HB THR 971 HB THR 971 -12.088 3.359 -4.844 210 HG1 THR 971 HG1 THR 971 -10.915 1.449 -5.252 211 HG21 THR 971 3HG2 THR 971 -11.156 4.228 -7.580 212 HG22 THR 971 1HG2 THR 971 -12.326 5.020 -6.522 213 HG23 THR 971 2HG2 THR 971 -12.744 3.503 -7.321 214 H VAL 972 H VAL 972 -10.772 4.614 -2.921 215 HA VAL 972 HA VAL 972 -8.812 3.347 -1.322 216 HB VAL 972 HB VAL 972 -11.579 4.421 -0.696 217 HG11 VAL 972 1HG1 VAL 972 -11.143 2.678 0.956 218 HG12 VAL 972 2HG1 VAL 972 -10.866 4.240 1.714 219 HG13 VAL 972 3HG1 VAL 972 -9.496 3.263 1.190 220 HG21 VAL 972 3HG2 VAL 972 -9.850 6.070 -1.276 221 HG22 VAL 972 1HG2 VAL 972 -8.767 5.362 -0.079 222 HG23 VAL 972 2HG2 VAL 972 -10.240 6.173 0.442 223 H GLN 973 H GLN 973 -12.100 2.402 -2.285 224 HA GLN 973 HA GLN 973 -12.472 0.141 -0.756 225 HB2 GLN 973 2HB GLN 973 -14.120 1.136 -2.378 226 HB3 GLN 973 1HB GLN 973 -13.224 0.349 -3.676 227 HG2 GLN 973 2HG GLN 973 -13.581 -1.847 -2.551 228 HG3 GLN 973 1HG GLN 973 -14.551 -1.030 -1.327 229 HE21 GLN 973 1HE2 GLN 973 -15.491 0.840 -3.668 230 HE22 GLN 973 2HE2 GLN 973 -16.717 -0.073 -4.401 231 H GLN 974 H GLN 974 -10.717 0.371 -3.863 232 HA GLN 974 HA GLN 974 -10.135 -2.362 -4.145 233 HB2 GLN 974 2HB GLN 974 -9.002 0.215 -5.161 234 HB3 GLN 974 1HB GLN 974 -8.026 -1.235 -5.370 235 HG2 GLN 974 2HG GLN 974 -9.433 -0.851 -7.322 236 HG3 GLN 974 1HG GLN 974 -9.914 -2.339 -6.520 237 HE21 GLN 974 1HE2 GLN 974 -11.670 -1.559 -4.564 238 HE22 GLN 974 2HE2 GLN 974 -12.950 -0.657 -5.217 239 H PHE 975 H PHE 975 -8.358 0.252 -2.520 240 HA PHE 975 HA PHE 975 -6.108 -1.265 -1.765 241 HB2 PHE 975 2HB PHE 975 -6.018 1.129 -1.656 242 HB3 PHE 975 1HB PHE 975 -7.363 1.187 -0.517 243 HD1 PHE 975 HD1 PHE 975 -3.981 -0.404 -0.901 244 HD2 PHE 975 HD2 PHE 975 -6.864 1.332 1.762 245 HE1 PHE 975 HE1 PHE 975 -2.376 -0.624 0.978 246 HE2 PHE 975 HE2 PHE 975 -5.262 1.114 3.644 247 HZ PHE 975 HZ PHE 975 -3.017 0.133 3.251 248 H LEU 976 H LEU 976 -9.177 -0.647 -0.064 249 HA LEU 976 HA LEU 976 -8.529 -2.010 2.329 250 HB2 LEU 976 2HB LEU 976 -11.048 -1.182 0.944 251 HB3 LEU 976 1HB LEU 976 -11.200 -2.367 2.234 252 HG LEU 976 HG LEU 976 -10.309 -0.861 3.855 253 HD11 LEU 976 1HD1 LEU 976 -9.652 1.539 2.936 254 HD12 LEU 976 2HD1 LEU 976 -9.302 0.641 1.464 255 HD13 LEU 976 3HD1 LEU 976 -8.476 0.230 2.965 256 HD21 LEU 976 3HD2 LEU 976 -12.039 0.777 1.983 257 HD22 LEU 976 1HD2 LEU 976 -11.883 0.995 3.727 258 HD23 LEU 976 2HD2 LEU 976 -12.653 -0.453 3.082 259 H ASP 977 H ASP 977 -9.937 -3.137 -0.739 260 HA ASP 977 HA ASP 977 -10.404 -5.802 0.153 261 HB2 ASP 977 2HB ASP 977 -11.396 -4.714 -1.918 262 HB3 ASP 977 1HB ASP 977 -9.825 -4.934 -2.683 263 H LEU 978 H LEU 978 -7.692 -4.134 -1.354 264 HA LEU 978 HA LEU 978 -6.082 -6.389 -1.891 265 HB2 LEU 978 2HB LEU 978 -5.649 -4.285 -2.984 266 HB3 LEU 978 1HB LEU 978 -5.382 -3.484 -1.438 267 HG LEU 978 HG LEU 978 -3.368 -4.794 -1.043 268 HD11 LEU 978 1HD1 LEU 978 -3.830 -6.933 -1.952 269 HD12 LEU 978 2HD1 LEU 978 -2.583 -6.282 -3.007 270 HD13 LEU 978 3HD1 LEU 978 -4.271 -6.266 -3.524 271 HD21 LEU 978 3HD2 LEU 978 -1.979 -3.851 -2.739 272 HD22 LEU 978 1HD2 LEU 978 -3.346 -2.751 -2.574 273 HD23 LEU 978 2HD2 LEU 978 -3.286 -3.884 -3.925 274 H LYS 979 H LYS 979 -6.111 -4.154 0.905 275 HA LYS 979 HA LYS 979 -3.958 -5.479 2.213 276 HB2 LYS 979 2HB LYS 979 -4.335 -3.992 3.992 277 HB3 LYS 979 1HB LYS 979 -4.867 -3.080 2.582 278 HG2 LYS 979 2HG LYS 979 -7.194 -3.848 3.056 279 HG3 LYS 979 1HG LYS 979 -6.619 -4.551 4.554 280 HD2 LYS 979 2HD LYS 979 -5.696 -2.271 5.144 281 HD3 LYS 979 1HD LYS 979 -6.572 -1.648 3.744 282 HE2 LYS 979 2HE LYS 979 -8.690 -2.443 4.672 283 HE3 LYS 979 1HE LYS 979 -7.844 -3.168 6.040 284 HZ1 LYS 979 3HZ LYS 979 -8.121 -1.227 7.053 285 HZ2 LYS 979 1HZ LYS 979 -8.632 -0.453 5.631 286 HZ3 LYS 979 2HZ LYS 979 -6.974 -0.575 5.982 287 H GLU 980 H GLU 980 -7.489 -5.654 2.488 288 HA GLU 980 HA GLU 980 -7.692 -7.399 4.639 289 HB2 GLU 980 2HB GLU 980 -9.569 -6.245 3.352 290 HB3 GLU 980 1HB GLU 980 -9.427 -7.544 2.168 291 HG2 GLU 980 2HG GLU 980 -11.153 -8.190 3.703 292 HG3 GLU 980 1HG GLU 980 -9.746 -9.185 4.075 293 H ARG 981 H ARG 981 -7.485 -8.205 1.166 294 HA ARG 981 HA ARG 981 -7.417 -11.004 1.528 295 HB2 ARG 981 2HB ARG 981 -6.504 -9.225 -0.732 296 HB3 ARG 981 1HB ARG 981 -6.444 -10.983 -0.815 297 HG2 ARG 981 2HG ARG 981 -8.879 -11.069 -0.323 298 HG3 ARG 981 1HG ARG 981 -8.921 -9.307 -0.331 299 HD2 ARG 981 2HD ARG 981 -8.099 -9.308 -2.669 300 HD3 ARG 981 1HD ARG 981 -8.107 -11.070 -2.655 301 HE ARG 981 HE ARG 981 -10.656 -9.887 -1.963 302 HH11 ARG 981 1HH2 ARG 981 -8.544 -10.970 -4.481 303 HH12 ARG 981 2HH2 ARG 981 -9.815 -11.219 -5.630 304 HH21 ARG 981 1HH1 ARG 981 -12.324 -10.183 -3.471 305 HH22 ARG 981 2HH1 ARG 981 -11.958 -10.760 -5.062 306 H ALA 982 H ALA 982 -4.769 -8.638 1.134 307 HA ALA 982 HA ALA 982 -2.672 -10.541 1.098 308 HB1 ALA 982 3HB ALA 982 -1.235 -8.576 1.770 309 HB2 ALA 982 1HB ALA 982 -2.720 -7.628 1.879 310 HB3 ALA 982 2HB ALA 982 -2.230 -8.321 0.352 311 H LEU 983 H LEU 983 -3.920 -8.517 3.736 312 HA LEU 983 HA LEU 983 -2.207 -9.618 5.676 313 HB2 LEU 983 2HB LEU 983 -4.698 -7.933 5.780 314 HB3 LEU 983 1HB LEU 983 -4.086 -8.652 7.266 315 HG LEU 983 HG LEU 983 -1.968 -7.535 7.031 316 HD11 LEU 983 1HD1 LEU 983 -2.966 -6.800 4.285 317 HD12 LEU 983 2HD1 LEU 983 -1.489 -7.651 4.710 318 HD13 LEU 983 3HD1 LEU 983 -1.652 -5.933 5.060 319 HD21 LEU 983 3HD2 LEU 983 -2.650 -5.212 7.169 320 HD22 LEU 983 1HD2 LEU 983 -3.917 -6.203 7.893 321 HD23 LEU 983 2HD2 LEU 983 -4.127 -5.552 6.266 322 H SER 984 H SER 984 -5.130 -10.686 4.226 323 HA SER 984 HA SER 984 -5.874 -12.521 6.331 324 HB2 SER 984 2HB SER 984 -7.651 -11.703 4.962 325 HB3 SER 984 1HB SER 984 -6.802 -12.138 3.482 326 HG SER 984 HG SER 984 -8.506 -13.598 4.811 327 H GLY 985 H GLY 985 -3.382 -12.485 4.141 328 HA2 GLY 985 2HA GLY 985 -1.757 -14.198 3.985 329 HA3 GLY 985 1HA GLY 985 -2.978 -15.381 4.427 330 H ALA 986 H ALA 986 -3.527 -12.971 1.925 331 HA ALA 986 HA ALA 986 -4.199 -14.987 0.012 332 HB1 ALA 986 3HB ALA 986 -3.759 -12.018 -0.289 333 HB2 ALA 986 1HB ALA 986 -5.285 -12.865 -0.139 334 HB3 ALA 986 2HB ALA 986 -4.317 -13.069 -1.586 335 H SER 987 H SER 987 -3.158 -15.567 -1.877 336 HA SER 987 HA SER 987 -0.240 -15.135 -1.872 337 HB2 SER 987 2HB SER 987 -0.118 -17.204 -3.167 338 HB3 SER 987 1HB SER 987 -1.043 -17.473 -1.692 339 HG SER 987 HG SER 987 -2.438 -18.229 -3.102 340 H ASP 988 H ASP 988 -2.957 -13.953 -3.356 341 HA ASP 988 HA ASP 988 -2.482 -13.960 -6.076 342 HB2 ASP 988 2HB ASP 988 -3.666 -11.936 -4.198 343 HB3 ASP 988 1HB ASP 988 -3.393 -11.467 -5.874 344 HA PRO 989 HA PRO 989 1.400 -11.966 -6.709 345 HB2 PRO 989 2HB PRO 989 0.841 -10.332 -8.903 346 HB3 PRO 989 1HB PRO 989 1.194 -12.068 -9.001 347 HG2 PRO 989 2HG PRO 989 -1.448 -10.679 -9.007 348 HG3 PRO 989 1HG PRO 989 -0.902 -12.066 -9.969 349 HD2 PRO 989 2HD PRO 989 -2.502 -12.406 -7.826 350 HD3 PRO 989 1HD PRO 989 -1.227 -13.584 -8.217 351 H ASP 990 H ASP 990 -1.463 -9.924 -6.641 352 HA ASP 990 HA ASP 990 -0.137 -7.465 -6.148 353 HB2 ASP 990 2HB ASP 990 -2.942 -8.420 -5.597 354 HB3 ASP 990 1HB ASP 990 -2.410 -6.778 -5.259 355 H SER 991 H SER 991 -1.263 -10.078 -4.057 356 HA SER 991 HA SER 991 -1.017 -8.656 -1.605 357 HB2 SER 991 2HB SER 991 -2.395 -10.542 -1.491 358 HB3 SER 991 1HB SER 991 -1.221 -11.565 -2.322 359 HG SER 991 HG SER 991 -0.021 -11.667 -0.509 360 H GLN 992 H GLN 992 1.159 -10.980 -3.242 361 HA GLN 992 HA GLN 992 3.153 -10.789 -1.209 362 HB2 GLN 992 2HB GLN 992 4.601 -11.692 -3.300 363 HB3 GLN 992 1HB GLN 992 3.514 -12.725 -2.377 364 HG2 GLN 992 2HG GLN 992 1.809 -12.595 -3.990 365 HG3 GLN 992 1HG GLN 992 2.543 -11.209 -4.781 366 HE21 GLN 992 1HE2 GLN 992 1.969 -14.297 -5.497 367 HE22 GLN 992 2HE2 GLN 992 3.398 -14.715 -6.312 368 H ARG 993 H ARG 993 2.642 -9.161 -4.309 369 HA ARG 993 HA ARG 993 5.063 -7.684 -4.313 370 HB2 ARG 993 2HB ARG 993 2.366 -7.199 -5.593 371 HB3 ARG 993 1HB ARG 993 3.741 -6.113 -5.820 372 HG2 ARG 993 2HG ARG 993 5.081 -7.949 -6.726 373 HG3 ARG 993 1HG ARG 993 3.763 -9.083 -6.440 374 HD2 ARG 993 2HD ARG 993 2.324 -7.792 -7.981 375 HD3 ARG 993 1HD ARG 993 3.651 -6.673 -8.277 376 HE ARG 993 HE ARG 993 4.351 -9.418 -8.824 377 HH11 ARG 993 1HH2 ARG 993 2.859 -6.528 -10.010 378 HH12 ARG 993 2HH2 ARG 993 3.097 -6.926 -11.679 379 HH21 ARG 993 1HH1 ARG 993 4.677 -9.937 -11.016 380 HH22 ARG 993 2HH1 ARG 993 4.119 -8.855 -12.246 381 H TYR 994 H TYR 994 1.852 -7.111 -2.976 382 HA TYR 994 HA TYR 994 2.260 -4.466 -2.085 383 HB2 TYR 994 2HB TYR 994 0.024 -5.298 -2.179 384 HB3 TYR 994 1HB TYR 994 0.418 -6.674 -1.151 385 HD1 TYR 994 HD1 TYR 994 0.565 -2.912 -1.109 386 HD2 TYR 994 HD2 TYR 994 -0.088 -6.527 1.123 387 HE1 TYR 994 HE1 TYR 994 -0.011 -1.572 0.896 388 HE2 TYR 994 HE2 TYR 994 -0.663 -5.184 3.120 389 HH TYR 994 HH TYR 994 0.126 -2.269 3.670 390 H ASN 995 H ASN 995 2.801 -7.629 -0.534 391 HA ASN 995 HA ASN 995 3.572 -6.660 1.993 392 HB2 ASN 995 2HB ASN 995 4.300 -9.139 0.431 393 HB3 ASN 995 1HB ASN 995 4.969 -8.832 2.032 394 HD21 ASN 995 1HD2 ASN 995 2.391 -10.332 0.470 395 HD22 ASN 995 2HD2 ASN 995 1.306 -10.387 1.773 396 H ALA 996 H ALA 996 5.391 -7.246 -1.000 397 HA ALA 996 HA ALA 996 7.938 -6.536 0.022 398 HB1 ALA 996 3HB ALA 996 6.959 -6.152 -2.790 399 HB2 ALA 996 1HB ALA 996 7.549 -7.691 -2.177 400 HB3 ALA 996 2HB ALA 996 8.625 -6.288 -2.267 401 H TRP 997 H TRP 997 5.358 -4.687 -1.560 402 HA TRP 997 HA TRP 997 6.671 -2.259 -1.800 403 HB2 TRP 997 2HB TRP 997 4.418 -2.631 -2.733 404 HB3 TRP 997 1HB TRP 997 3.753 -2.703 -1.102 405 HD1 TRP 997 HD TRP 997 5.535 -0.244 -3.466 406 HE1 TRP 997 HE1 TRP 997 4.920 2.158 -2.748 407 HE3 TRP 997 HE3 TRP 997 2.822 -1.246 0.737 408 HZ2 TRP 997 HZ2 TRP 997 3.468 3.477 -0.666 409 HZ3 TRP 997 HZ3 TRP 997 1.831 0.597 2.067 410 HH2 TRP 997 HH TRP 997 2.146 2.954 1.371 411 H LEU 998 H LEU 998 5.023 -3.703 0.995 412 HA LEU 998 HA LEU 998 5.326 -1.464 2.711 413 HB2 LEU 998 2HB LEU 998 5.053 -4.420 3.291 414 HB3 LEU 998 1HB LEU 998 5.158 -3.207 4.560 415 HG LEU 998 HG LEU 998 3.111 -3.099 2.325 416 HD11 LEU 998 1HD1 LEU 998 1.519 -3.873 4.155 417 HD12 LEU 998 2HD1 LEU 998 2.945 -4.337 5.081 418 HD13 LEU 998 3HD1 LEU 998 2.614 -5.106 3.529 419 HD21 LEU 998 3HD2 LEU 998 3.140 -0.953 3.222 420 HD22 LEU 998 1HD2 LEU 998 3.664 -1.497 4.814 421 HD23 LEU 998 2HD2 LEU 998 1.988 -1.705 4.317 422 H GLU 999 H GLU 999 7.365 -4.246 1.926 423 HA GLU 999 HA GLU 999 9.425 -3.691 3.801 424 HB2 GLU 999 2HB GLU 999 9.184 -5.857 2.596 425 HB3 GLU 999 1HB GLU 999 9.657 -5.066 1.092 426 HG2 GLU 999 2HG GLU 999 11.636 -6.094 1.988 427 HG3 GLU 999 1HG GLU 999 11.805 -4.367 2.284 428 H LEU1000 H LEU1000 8.906 -2.689 0.435 429 HA LEU1000 HA LEU1000 11.328 -1.282 0.101 430 HB2 LEU1000 2HB LEU1000 8.620 -0.774 -1.175 431 HB3 LEU1000 1HB LEU1000 10.147 -0.090 -1.724 432 HG LEU1000 HG LEU1000 9.470 -3.042 -1.616 433 HD11 LEU1000 1HD1 LEU1000 9.331 -2.942 -4.007 434 HD12 LEU1000 2HD1 LEU1000 9.914 -1.277 -4.028 435 HD13 LEU1000 3HD1 LEU1000 8.317 -1.644 -3.377 436 HD21 LEU1000 3HD2 LEU1000 11.980 -1.528 -2.296 437 HD22 LEU1000 1HD2 LEU1000 11.637 -3.064 -3.096 438 HD23 LEU1000 2HD2 LEU1000 11.792 -3.005 -1.345 439 H ARG1001 H ARG1001 8.140 -0.329 1.293 440 HA ARG1001 HA ARG1001 8.654 2.410 1.590 441 HB2 ARG1001 2HB ARG1001 6.404 1.585 1.745 442 HB3 ARG1001 1HB ARG1001 6.812 0.566 3.123 443 HG2 ARG1001 2HG ARG1001 7.171 2.458 4.532 444 HG3 ARG1001 1HG ARG1001 7.149 3.559 3.159 445 HD2 ARG1001 2HD ARG1001 4.775 3.038 2.772 446 HD3 ARG1001 1HD ARG1001 4.804 1.880 4.097 447 HE ARG1001 HE ARG1001 4.765 4.796 4.327 448 HH11 ARG1001 1HH2 ARG1001 5.224 1.709 5.826 449 HH12 ARG1001 2HH2 ARG1001 4.956 2.295 7.433 450 HH21 ARG1001 1HH1 ARG1001 4.405 5.569 6.432 451 HH22 ARG1001 2HH1 ARG1001 4.481 4.478 7.775 452 H ALA1002 H ALA1002 9.040 -0.282 3.843 453 HA ALA1002 HA ALA1002 9.950 1.243 6.031 454 HB1 ALA1002 3HB ALA1002 9.142 -1.181 6.048 455 HB2 ALA1002 1HB ALA1002 10.561 -0.825 7.033 456 HB3 ALA1002 2HB ALA1002 10.750 -1.613 5.467 457 H LYS1003 H LYS1003 11.507 0.037 3.173 458 HA LYS1003 HA LYS1003 14.191 0.280 4.155 459 HB2 LYS1003 2HB LYS1003 13.045 0.014 1.382 460 HB3 LYS1003 1HB LYS1003 14.774 0.174 1.672 461 HG2 LYS1003 2HG LYS1003 13.206 -1.915 3.177 462 HG3 LYS1003 1HG LYS1003 13.687 -2.229 1.513 463 HD2 LYS1003 2HD LYS1003 16.046 -1.812 2.107 464 HD3 LYS1003 1HD LYS1003 15.576 -1.493 3.775 465 HE2 LYS1003 2HE LYS1003 16.331 -3.797 3.619 466 HE3 LYS1003 1HE LYS1003 14.587 -3.788 3.884 467 HZ1 LYS1003 3HZ LYS1003 15.909 -4.029 1.236 468 HZ2 LYS1003 1HZ LYS1003 14.238 -4.084 1.532 469 HZ3 LYS1003 2HZ LYS1003 15.246 -5.323 2.114 470 H ARG1004 H ARG1004 12.118 2.349 2.153 471 HA ARG1004 HA ARG1004 14.162 4.418 2.009 472 HB2 ARG1004 2HB ARG1004 12.555 5.612 0.629 473 HB3 ARG1004 1HB ARG1004 12.638 3.932 0.105 474 HG2 ARG1004 2HG ARG1004 10.640 3.433 1.467 475 HG3 ARG1004 1HG ARG1004 10.510 5.136 1.891 476 HD2 ARG1004 2HD ARG1004 10.328 5.707 -0.510 477 HD3 ARG1004 1HD ARG1004 10.405 3.993 -0.914 478 HE ARG1004 HE ARG1004 8.319 4.366 0.935 479 HH11 ARG1004 1HH2 ARG1004 9.196 5.135 -2.331 480 HH12 ARG1004 2HH2 ARG1004 7.557 5.262 -2.877 481 HH21 ARG1004 1HH1 ARG1004 6.180 4.525 0.213 482 HH22 ARG1004 2HH1 ARG1004 5.854 4.934 -1.438 483 H LEU1005 H LEU1005 13.125 3.671 4.661 484 HA LEU1005 HA LEU1005 11.264 5.490 5.653 485 HB2 LEU1005 2HB LEU1005 12.624 3.410 6.717 486 HB3 LEU1005 1HB LEU1005 13.567 4.725 7.407 487 HG LEU1005 HG LEU1005 11.215 5.718 8.044 488 HD11 LEU1005 1HD1 LEU1005 9.875 4.069 6.794 489 HD12 LEU1005 2HD1 LEU1005 9.542 3.942 8.518 490 HD13 LEU1005 3HD1 LEU1005 10.592 2.760 7.733 491 HD21 LEU1005 3HD2 LEU1005 11.270 4.414 10.177 492 HD22 LEU1005 1HD2 LEU1005 12.870 4.982 9.694 493 HD23 LEU1005 2HD2 LEU1005 12.415 3.299 9.431 494 H SER1006 H SER1006 11.457 7.578 5.038 495 HA SER1006 HA SER1006 14.002 8.980 5.210 496 HB2 SER1006 2HB SER1006 11.241 10.026 4.537 497 HB3 SER1006 1HB SER1006 12.763 10.885 4.319 498 HG SER1006 HG SER1006 11.685 9.495 2.527 Start of MODEL 3 1 HA2 GLY 945 2HA GLY 945 -19.921 -6.722 9.047 2 HA3 GLY 945 1HA GLY 945 -21.068 -6.005 10.178 3 H ALA 946 H ALA 946 -20.210 -3.322 9.986 4 HA ALA 946 HA ALA 946 -21.681 -2.422 7.750 5 HB1 ALA 946 3HB ALA 946 -20.882 -0.190 8.379 6 HB2 ALA 946 1HB ALA 946 -19.674 -0.914 9.441 7 HB3 ALA 946 2HB ALA 946 -21.391 -1.091 9.806 8 H MET 947 H MET 947 -18.284 -3.061 8.263 9 HA MET 947 HA MET 947 -16.428 -2.799 6.916 10 HB2 MET 947 2HB MET 947 -18.502 -3.729 4.916 11 HB3 MET 947 1HB MET 947 -16.764 -3.704 4.622 12 HG2 MET 947 2HG MET 947 -16.397 -5.223 6.515 13 HG3 MET 947 1HG MET 947 -18.122 -5.215 6.875 14 HE1 MET 947 3HE MET 947 -15.902 -7.308 3.472 15 HE2 MET 947 1HE MET 947 -15.244 -6.453 4.871 16 HE3 MET 947 2HE MET 947 -15.923 -5.550 3.519 17 H ALA 948 H ALA 948 -17.621 -0.352 7.395 18 HA ALA 948 HA ALA 948 -16.996 1.090 4.898 19 HB1 ALA 948 3HB ALA 948 -19.367 1.086 4.823 20 HB2 ALA 948 1HB ALA 948 -18.925 2.661 5.482 21 HB3 ALA 948 2HB ALA 948 -19.501 1.384 6.555 22 H ILE 949 H ILE 949 -15.033 1.711 5.794 23 HA ILE 949 HA ILE 949 -15.188 3.615 8.072 24 HB ILE 949 HB ILE 949 -12.763 2.964 8.439 25 HG12 ILE 949 2HG1 ILE 949 -13.563 0.630 6.671 26 HG13 ILE 949 1HG1 ILE 949 -12.500 1.940 6.159 27 HG21 ILE 949 1HG2 ILE 949 -14.903 0.833 8.732 28 HG22 ILE 949 2HG2 ILE 949 -14.563 2.126 9.882 29 HG23 ILE 949 3HG2 ILE 949 -13.373 0.854 9.607 30 HD11 ILE 949 3HD1 ILE 949 -11.131 0.076 6.906 31 HD12 ILE 949 1HD1 ILE 949 -12.006 0.000 8.435 32 HD13 ILE 949 2HD1 ILE 949 -10.980 1.389 8.073 33 H ALA 950 H ALA 950 -14.064 5.534 7.880 34 HA ALA 950 HA ALA 950 -13.468 6.370 5.154 35 HB1 ALA 950 3HB ALA 950 -13.216 8.041 7.652 36 HB2 ALA 950 1HB ALA 950 -14.770 7.736 6.878 37 HB3 ALA 950 2HB ALA 950 -13.499 8.581 5.998 38 H LEU 951 H LEU 951 -11.666 4.493 6.703 39 HA LEU 951 HA LEU 951 -9.424 4.129 7.020 40 HB2 LEU 951 2HB LEU 951 -9.609 6.046 4.736 41 HB3 LEU 951 1HB LEU 951 -8.009 5.780 5.425 42 HG LEU 951 HG LEU 951 -8.275 3.348 5.102 43 HD11 LEU 951 1HD1 LEU 951 -10.594 2.965 5.294 44 HD12 LEU 951 2HD1 LEU 951 -10.267 2.686 3.586 45 HD13 LEU 951 3HD1 LEU 951 -10.990 4.206 4.107 46 HD21 LEU 951 3HD2 LEU 951 -8.297 3.377 2.591 47 HD22 LEU 951 1HD2 LEU 951 -7.240 4.599 3.296 48 HD23 LEU 951 2HD2 LEU 951 -8.820 5.059 2.660 49 H ARG 952 H ARG 952 -7.468 4.969 7.936 50 HA ARG 952 HA ARG 952 -7.983 7.171 9.796 51 HB2 ARG 952 2HB ARG 952 -5.452 5.543 9.646 52 HB3 ARG 952 1HB ARG 952 -6.146 6.362 11.037 53 HG2 ARG 952 2HG ARG 952 -7.381 3.964 9.648 54 HG3 ARG 952 1HG ARG 952 -6.444 3.891 11.136 55 HD2 ARG 952 2HD ARG 952 -9.050 5.360 10.714 56 HD3 ARG 952 1HD ARG 952 -8.800 3.920 11.686 57 HE ARG 952 HE ARG 952 -7.065 5.859 12.682 58 HH11 ARG 952 1HH2 ARG 952 -10.466 5.365 12.256 59 HH12 ARG 952 2HH2 ARG 952 -10.915 6.325 13.627 60 HH21 ARG 952 1HH1 ARG 952 -7.648 7.120 14.474 61 HH22 ARG 952 2HH1 ARG 952 -9.319 7.320 14.881 62 H ASP 953 H ASP 953 -6.226 8.788 10.152 63 HA ASP 953 HA ASP 953 -5.667 10.224 7.814 64 HB2 ASP 953 2HB ASP 953 -4.550 10.283 10.613 65 HB3 ASP 953 1HB ASP 953 -3.835 11.297 9.363 66 H ASP 954 H ASP 954 -3.627 8.019 9.707 67 HA ASP 954 HA ASP 954 -1.301 8.246 8.106 68 HB2 ASP 954 2HB ASP 954 -2.312 6.087 9.961 69 HB3 ASP 954 1HB ASP 954 -0.746 5.995 9.155 70 H GLU 955 H GLU 955 -4.046 6.013 8.058 71 HA GLU 955 HA GLU 955 -3.097 4.325 5.990 72 HB2 GLU 955 2HB GLU 955 -5.915 4.939 6.896 73 HB3 GLU 955 1HB GLU 955 -5.469 3.624 5.812 74 HG2 GLU 955 2HG GLU 955 -4.195 3.924 8.533 75 HG3 GLU 955 1HG GLU 955 -5.712 3.057 8.317 76 H TYR 956 H TYR 956 -5.064 7.263 5.975 77 HA TYR 956 HA TYR 956 -5.879 7.207 3.289 78 HB2 TYR 956 2HB TYR 956 -6.775 8.781 4.990 79 HB3 TYR 956 1HB TYR 956 -5.233 9.638 4.982 80 HD1 TYR 956 HD2 TYR 956 -4.501 10.918 3.006 81 HD2 TYR 956 HD1 TYR 956 -8.310 8.931 3.113 82 HE1 TYR 956 HE2 TYR 956 -5.237 12.220 1.029 83 HE2 TYR 956 HE1 TYR 956 -9.045 10.234 1.137 84 HH TYR 956 HH TYR 956 -6.887 12.637 -0.388 85 H ASP 957 H ASP 957 -2.997 8.559 4.835 86 HA ASP 957 HA ASP 957 -1.844 9.702 2.522 87 HB2 ASP 957 2HB ASP 957 -1.150 10.067 4.957 88 HB3 ASP 957 1HB ASP 957 -0.288 8.534 4.832 89 H GLU 958 H GLU 958 -1.708 6.481 3.944 90 HA GLU 958 HA GLU 958 0.311 5.425 2.255 91 HB2 GLU 958 2HB GLU 958 -0.443 4.368 4.393 92 HB3 GLU 958 1HB GLU 958 -1.955 3.929 3.593 93 HG2 GLU 958 2HG GLU 958 -0.707 2.633 1.915 94 HG3 GLU 958 1HG GLU 958 0.813 3.088 2.682 95 H TRP 959 H TRP 959 -3.215 5.626 2.015 96 HA TRP 959 HA TRP 959 -3.518 4.004 -0.274 97 HB2 TRP 959 2HB TRP 959 -5.467 4.513 0.994 98 HB3 TRP 959 1HB TRP 959 -5.168 6.244 0.903 99 HD1 TRP 959 HD TRP 959 -5.513 3.472 -1.800 100 HE1 TRP 959 HE1 TRP 959 -7.157 4.341 -3.590 101 HE3 TRP 959 HE3 TRP 959 -6.634 8.013 0.199 102 HZ2 TRP 959 HZ2 TRP 959 -8.745 6.676 -4.098 103 HZ3 TRP 959 HZ3 TRP 959 -8.206 9.547 -0.945 104 HH2 TRP 959 HH TRP 959 -9.266 8.886 -3.094 105 H GLN 960 H GLN 960 -3.103 7.550 0.059 106 HA GLN 960 HA GLN 960 -3.138 8.046 -2.731 107 HB2 GLN 960 2HB GLN 960 -1.877 9.582 -0.450 108 HB3 GLN 960 1HB GLN 960 -1.927 10.172 -2.110 109 HG2 GLN 960 2HG GLN 960 -4.381 9.374 -0.522 110 HG3 GLN 960 1HG GLN 960 -3.802 11.033 -0.680 111 HE21 GLN 960 1HE2 GLN 960 -5.976 8.874 -2.024 112 HE22 GLN 960 2HE2 GLN 960 -6.118 9.561 -3.568 113 H ASP 961 H ASP 961 -0.572 7.179 -0.500 114 HA ASP 961 HA ASP 961 1.606 7.610 -2.245 115 HB2 ASP 961 2HB ASP 961 1.243 5.798 0.141 116 HB3 ASP 961 1HB ASP 961 2.771 5.943 -0.724 117 H ILE 962 H ILE 962 -0.482 4.769 -1.730 118 HA ILE 962 HA ILE 962 1.105 3.067 -3.384 119 HB ILE 962 HB ILE 962 -0.870 2.526 -1.622 120 HG12 ILE 962 2HG1 ILE 962 -0.247 0.849 -4.071 121 HG13 ILE 962 1HG1 ILE 962 0.718 0.897 -2.599 122 HG21 ILE 962 1HG2 ILE 962 -2.588 3.505 -3.213 123 HG22 ILE 962 2HG2 ILE 962 -2.916 1.862 -2.697 124 HG23 ILE 962 3HG2 ILE 962 -2.246 2.175 -4.294 125 HD11 ILE 962 3HD1 ILE 962 -2.131 -0.084 -2.890 126 HD12 ILE 962 1HD1 ILE 962 -1.343 0.168 -1.333 127 HD13 ILE 962 2HD1 ILE 962 -0.715 -1.039 -2.456 128 H ILE 963 H ILE 963 -1.627 5.211 -3.914 129 HA ILE 963 HA ILE 963 -2.211 4.491 -6.573 130 HB ILE 963 HB ILE 963 -2.505 7.112 -5.101 131 HG12 ILE 963 2HG1 ILE 963 -4.472 4.970 -5.927 132 HG13 ILE 963 1HG1 ILE 963 -3.808 5.146 -4.323 133 HG21 ILE 963 1HG2 ILE 963 -2.421 7.669 -7.445 134 HG22 ILE 963 2HG2 ILE 963 -4.124 7.635 -7.002 135 HG23 ILE 963 3HG2 ILE 963 -3.409 6.279 -7.864 136 HD11 ILE 963 3HD1 ILE 963 -5.240 6.817 -3.787 137 HD12 ILE 963 1HD1 ILE 963 -6.151 6.301 -5.204 138 HD13 ILE 963 2HD1 ILE 963 -5.009 7.638 -5.331 139 H ARG 964 H ARG 964 0.075 6.831 -5.209 140 HA ARG 964 HA ARG 964 1.019 7.842 -7.672 141 HB2 ARG 964 2HB ARG 964 1.510 8.887 -5.466 142 HB3 ARG 964 1HB ARG 964 2.557 7.521 -5.077 143 HG2 ARG 964 2HG ARG 964 3.948 8.041 -7.069 144 HG3 ARG 964 1HG ARG 964 2.919 9.432 -7.403 145 HD2 ARG 964 2HD ARG 964 4.431 9.031 -4.811 146 HD3 ARG 964 1HD ARG 964 5.025 10.000 -6.155 147 HE ARG 964 HE ARG 964 2.878 10.707 -4.319 148 HH11 ARG 964 1HH2 ARG 964 4.434 11.230 -7.366 149 HH12 ARG 964 2HH2 ARG 964 3.840 12.847 -7.550 150 HH21 ARG 964 1HH1 ARG 964 2.088 12.825 -4.557 151 HH22 ARG 964 2HH1 ARG 964 2.506 13.748 -5.962 152 H ASP 965 H ASP 965 1.943 5.061 -5.686 153 HA ASP 965 HA ASP 965 4.217 4.265 -7.135 154 HB2 ASP 965 2HB ASP 965 3.482 3.402 -4.885 155 HB3 ASP 965 1HB ASP 965 2.288 2.418 -5.729 156 H TRP 966 H TRP 966 0.773 3.362 -7.602 157 HA TRP 966 HA TRP 966 1.396 1.568 -9.773 158 HB2 TRP 966 2HB TRP 966 -1.264 2.843 -9.084 159 HB3 TRP 966 1HB TRP 966 -1.006 1.469 -10.155 160 HD1 TRP 966 HD TRP 966 -1.916 2.214 -6.736 161 HE1 TRP 966 HE1 TRP 966 -1.642 0.164 -5.218 162 HE3 TRP 966 HE3 TRP 966 0.907 -0.746 -9.784 163 HZ2 TRP 966 HZ2 TRP 966 -0.379 -2.407 -5.277 164 HZ3 TRP 966 HZ3 TRP 966 1.630 -2.994 -9.030 165 HH2 TRP 966 HH TRP 966 0.988 -3.829 -6.784 166 H ARG 967 H ARG 967 1.522 4.848 -9.507 167 HA ARG 967 HA ARG 967 1.619 6.596 -10.985 168 HB2 ARG 967 2HB ARG 967 2.097 4.330 -12.933 169 HB3 ARG 967 1HB ARG 967 2.382 6.038 -13.275 170 HG2 ARG 967 2HG ARG 967 3.991 6.147 -11.404 171 HG3 ARG 967 1HG ARG 967 3.720 4.434 -11.075 172 HD2 ARG 967 2HD ARG 967 4.482 3.909 -13.389 173 HD3 ARG 967 1HD ARG 967 4.846 5.615 -13.629 174 HE ARG 967 HE ARG 967 6.366 3.722 -12.025 175 HH11 ARG 967 1HH2 ARG 967 5.645 7.023 -12.776 176 HH12 ARG 967 2HH2 ARG 967 7.145 7.634 -12.163 177 HH21 ARG 967 1HH1 ARG 967 8.332 4.517 -11.217 178 HH22 ARG 967 2HH1 ARG 967 8.667 6.215 -11.282 179 H LYS 968 H LYS 968 -1.008 5.032 -10.600 180 HA LYS 968 HA LYS 968 -2.483 6.507 -12.651 181 HB2 LYS 968 2HB LYS 968 -3.807 4.563 -13.337 182 HB3 LYS 968 1HB LYS 968 -2.100 4.296 -13.688 183 HG2 LYS 968 2HG LYS 968 -1.890 3.048 -11.555 184 HG3 LYS 968 1HG LYS 968 -3.619 3.228 -11.289 185 HD2 LYS 968 2HD LYS 968 -2.654 2.033 -13.885 186 HD3 LYS 968 1HD LYS 968 -2.683 1.036 -12.433 187 HE2 LYS 968 2HE LYS 968 -5.070 2.593 -13.466 188 HE3 LYS 968 1HE LYS 968 -4.790 0.881 -13.778 189 HZ1 LYS 968 3HZ LYS 968 -5.952 2.054 -11.528 190 HZ2 LYS 968 1HZ LYS 968 -4.487 1.355 -11.035 191 HZ3 LYS 968 2HZ LYS 968 -5.660 0.405 -11.817 192 H GLU 969 H GLU 969 -4.485 7.144 -11.975 193 HA GLU 969 HA GLU 969 -5.018 7.277 -9.219 194 HB2 GLU 969 2HB GLU 969 -5.871 8.883 -10.906 195 HB3 GLU 969 1HB GLU 969 -6.961 7.636 -11.511 196 HG2 GLU 969 2HG GLU 969 -8.053 7.499 -9.311 197 HG3 GLU 969 1HG GLU 969 -6.938 8.705 -8.672 198 H MET 970 H MET 970 -6.167 6.061 -7.832 199 HA MET 970 HA MET 970 -7.824 3.835 -8.873 200 HB2 MET 970 2HB MET 970 -6.175 3.511 -6.372 201 HB3 MET 970 1HB MET 970 -6.945 2.273 -7.353 202 HG2 MET 970 2HG MET 970 -5.336 3.061 -9.226 203 HG3 MET 970 1HG MET 970 -4.425 3.820 -7.925 204 HE1 MET 970 3HE MET 970 -5.505 1.415 -5.624 205 HE2 MET 970 1HE MET 970 -4.166 2.571 -5.644 206 HE3 MET 970 2HE MET 970 -3.848 0.848 -5.474 207 H THR 971 H THR 971 -8.821 2.828 -6.636 208 HA THR 971 HA THR 971 -10.110 5.107 -5.229 209 HB THR 971 HB THR 971 -12.093 3.628 -5.019 210 HG1 THR 971 HG1 THR 971 -10.864 1.673 -5.296 211 HG21 THR 971 3HG2 THR 971 -11.040 4.257 -7.779 212 HG22 THR 971 1HG2 THR 971 -12.166 5.202 -6.803 213 HG23 THR 971 2HG2 THR 971 -12.677 3.664 -7.498 214 H VAL 972 H VAL 972 -10.830 4.600 -3.030 215 HA VAL 972 HA VAL 972 -8.798 3.378 -1.484 216 HB VAL 972 HB VAL 972 -11.617 4.274 -0.845 217 HG11 VAL 972 1HG1 VAL 972 -9.681 2.698 0.825 218 HG12 VAL 972 2HG1 VAL 972 -11.439 2.628 0.798 219 HG13 VAL 972 3HG1 VAL 972 -10.623 3.959 1.623 220 HG21 VAL 972 3HG2 VAL 972 -10.029 6.073 -1.196 221 HG22 VAL 972 1HG2 VAL 972 -8.833 5.283 -0.166 222 HG23 VAL 972 2HG2 VAL 972 -10.306 5.936 0.540 223 H GLN 973 H GLN 973 -12.010 2.302 -2.516 224 HA GLN 973 HA GLN 973 -12.269 -0.024 -1.096 225 HB2 GLN 973 2HB GLN 973 -13.075 0.690 -3.909 226 HB3 GLN 973 1HB GLN 973 -13.549 -0.828 -3.157 227 HG2 GLN 973 2HG GLN 973 -14.627 0.396 -1.321 228 HG3 GLN 973 1HG GLN 973 -14.098 1.927 -2.016 229 HE21 GLN 973 1HE2 GLN 973 -16.652 2.147 -1.889 230 HE22 GLN 973 2HE2 GLN 973 -17.491 1.680 -3.290 231 H GLN 974 H GLN 974 -10.618 0.346 -4.244 232 HA GLN 974 HA GLN 974 -9.887 -2.337 -4.587 233 HB2 GLN 974 2HB GLN 974 -8.777 0.287 -5.539 234 HB3 GLN 974 1HB GLN 974 -7.877 -1.193 -5.866 235 HG2 GLN 974 2HG GLN 974 -9.502 -0.484 -7.681 236 HG3 GLN 974 1HG GLN 974 -9.697 -2.135 -7.103 237 HE21 GLN 974 1HE2 GLN 974 -11.492 0.499 -7.973 238 HE22 GLN 974 2HE2 GLN 974 -12.849 0.267 -6.984 239 H PHE 975 H PHE 975 -8.103 0.314 -3.019 240 HA PHE 975 HA PHE 975 -5.847 -1.202 -2.234 241 HB2 PHE 975 2HB PHE 975 -5.658 1.165 -2.189 242 HB3 PHE 975 1HB PHE 975 -7.087 1.343 -1.182 243 HD1 PHE 975 HD1 PHE 975 -3.679 -0.201 -1.181 244 HD2 PHE 975 HD2 PHE 975 -6.848 1.490 1.164 245 HE1 PHE 975 HE1 PHE 975 -2.250 -0.322 0.840 246 HE2 PHE 975 HE2 PHE 975 -5.421 1.368 3.186 247 HZ PHE 975 HZ PHE 975 -3.119 0.461 3.026 248 H LEU 976 H LEU 976 -8.883 -0.447 -0.617 249 HA LEU 976 HA LEU 976 -8.371 -1.585 1.872 250 HB2 LEU 976 2HB LEU 976 -10.275 -0.086 1.312 251 HB3 LEU 976 1HB LEU 976 -10.989 -1.383 0.361 252 HG LEU 976 HG LEU 976 -11.104 -2.788 2.382 253 HD11 LEU 976 1HD1 LEU 976 -10.839 -1.215 4.563 254 HD12 LEU 976 2HD1 LEU 976 -9.625 -0.462 3.533 255 HD13 LEU 976 3HD1 LEU 976 -9.511 -2.176 3.924 256 HD21 LEU 976 3HD2 LEU 976 -12.942 -1.206 1.636 257 HD22 LEU 976 1HD2 LEU 976 -12.358 -0.077 2.857 258 HD23 LEU 976 2HD2 LEU 976 -12.983 -1.651 3.335 259 H ASP 977 H ASP 977 -9.761 -2.973 -1.069 260 HA ASP 977 HA ASP 977 -10.259 -5.538 0.050 261 HB2 ASP 977 2HB ASP 977 -11.375 -4.795 -2.008 262 HB3 ASP 977 1HB ASP 977 -9.822 -4.753 -2.844 263 H LEU 978 H LEU 978 -7.511 -4.029 -1.552 264 HA LEU 978 HA LEU 978 -5.965 -6.352 -1.970 265 HB2 LEU 978 2HB LEU 978 -5.473 -4.255 -3.104 266 HB3 LEU 978 1HB LEU 978 -5.123 -3.474 -1.568 267 HG LEU 978 HG LEU 978 -3.203 -4.947 -1.207 268 HD11 LEU 978 1HD1 LEU 978 -3.755 -7.022 -2.165 269 HD12 LEU 978 2HD1 LEU 978 -2.545 -6.399 -3.283 270 HD13 LEU 978 3HD1 LEU 978 -4.259 -6.296 -3.691 271 HD21 LEU 978 3HD2 LEU 978 -2.603 -2.990 -2.387 272 HD22 LEU 978 1HD2 LEU 978 -3.389 -3.531 -3.871 273 HD23 LEU 978 2HD2 LEU 978 -1.887 -4.290 -3.338 274 H LYS 979 H LYS 979 -5.961 -3.998 0.723 275 HA LYS 979 HA LYS 979 -3.910 -5.365 2.177 276 HB2 LYS 979 2HB LYS 979 -4.396 -3.842 3.975 277 HB3 LYS 979 1HB LYS 979 -4.527 -2.938 2.469 278 HG2 LYS 979 2HG LYS 979 -6.944 -3.224 2.503 279 HG3 LYS 979 1HG LYS 979 -6.854 -4.086 4.031 280 HD2 LYS 979 2HD LYS 979 -5.497 -1.422 3.957 281 HD3 LYS 979 1HD LYS 979 -7.248 -1.382 3.848 282 HE2 LYS 979 2HE LYS 979 -5.695 -2.816 6.018 283 HE3 LYS 979 1HE LYS 979 -6.471 -1.243 6.193 284 HZ1 LYS 979 3HZ LYS 979 -7.620 -3.790 6.433 285 HZ2 LYS 979 1HZ LYS 979 -8.339 -3.010 5.111 286 HZ3 LYS 979 2HZ LYS 979 -8.357 -2.274 6.642 287 H GLU 980 H GLU 980 -7.443 -5.517 2.157 288 HA GLU 980 HA GLU 980 -7.751 -7.098 4.462 289 HB2 GLU 980 2HB GLU 980 -9.634 -6.041 3.237 290 HB3 GLU 980 1HB GLU 980 -9.393 -7.187 1.919 291 HG2 GLU 980 2HG GLU 980 -9.861 -9.062 3.406 292 HG3 GLU 980 1HG GLU 980 -9.996 -7.970 4.782 293 H ARG 981 H ARG 981 -7.369 -8.048 1.047 294 HA ARG 981 HA ARG 981 -7.346 -10.835 1.491 295 HB2 ARG 981 2HB ARG 981 -6.209 -9.117 -0.714 296 HB3 ARG 981 1HB ARG 981 -6.160 -10.879 -0.752 297 HG2 ARG 981 2HG ARG 981 -8.602 -10.980 -0.597 298 HG3 ARG 981 1HG ARG 981 -8.685 -9.221 -0.471 299 HD2 ARG 981 2HD ARG 981 -7.679 -8.997 -2.699 300 HD3 ARG 981 1HD ARG 981 -7.539 -10.747 -2.826 301 HE ARG 981 HE ARG 981 -10.222 -10.239 -2.341 302 HH11 ARG 981 1HH2 ARG 981 -7.820 -9.384 -4.681 303 HH12 ARG 981 2HH2 ARG 981 -8.945 -9.243 -5.989 304 HH21 ARG 981 1HH1 ARG 981 -11.705 -10.060 -4.053 305 HH22 ARG 981 2HH1 ARG 981 -11.147 -9.620 -5.633 306 H ALA 982 H ALA 982 -4.655 -8.503 1.184 307 HA ALA 982 HA ALA 982 -2.577 -10.386 1.404 308 HB1 ALA 982 3HB ALA 982 -1.430 -8.138 2.457 309 HB2 ALA 982 1HB ALA 982 -2.838 -7.443 1.652 310 HB3 ALA 982 2HB ALA 982 -1.679 -8.389 0.740 311 H LEU 983 H LEU 983 -4.055 -8.337 3.901 312 HA LEU 983 HA LEU 983 -2.489 -9.432 5.977 313 HB2 LEU 983 2HB LEU 983 -4.954 -7.725 5.871 314 HB3 LEU 983 1HB LEU 983 -4.454 -8.414 7.410 315 HG LEU 983 HG LEU 983 -2.339 -7.309 7.324 316 HD11 LEU 983 1HD1 LEU 983 -3.023 -6.761 4.448 317 HD12 LEU 983 2HD1 LEU 983 -1.574 -7.499 5.109 318 HD13 LEU 983 3HD1 LEU 983 -1.846 -5.771 5.301 319 HD21 LEU 983 3HD2 LEU 983 -2.993 -4.968 7.282 320 HD22 LEU 983 1HD2 LEU 983 -4.321 -5.919 7.947 321 HD23 LEU 983 2HD2 LEU 983 -4.395 -5.347 6.281 322 H SER 984 H SER 984 -5.320 -10.557 4.354 323 HA SER 984 HA SER 984 -6.188 -12.311 6.488 324 HB2 SER 984 2HB SER 984 -7.768 -13.186 4.846 325 HB3 SER 984 1HB SER 984 -7.782 -11.427 4.814 326 HG SER 984 HG SER 984 -6.357 -11.547 3.022 327 H GLY 985 H GLY 985 -3.570 -12.347 4.464 328 HA2 GLY 985 2HA GLY 985 -1.927 -14.054 4.499 329 HA3 GLY 985 1HA GLY 985 -3.176 -15.233 4.873 330 H ALA 986 H ALA 986 -3.534 -12.882 2.286 331 HA ALA 986 HA ALA 986 -4.060 -14.919 0.354 332 HB1 ALA 986 3HB ALA 986 -3.527 -11.968 0.016 333 HB2 ALA 986 1HB ALA 986 -5.090 -12.745 0.145 334 HB3 ALA 986 2HB ALA 986 -4.090 -13.037 -1.265 335 H SER 987 H SER 987 -2.870 -15.505 -1.467 336 HA SER 987 HA SER 987 0.038 -14.982 -1.275 337 HB2 SER 987 2HB SER 987 0.378 -17.152 -2.320 338 HB3 SER 987 1HB SER 987 -0.643 -17.345 -0.897 339 HG SER 987 HG SER 987 -1.340 -17.380 -3.630 340 H ASP 988 H ASP 988 -2.636 -14.102 -2.972 341 HA ASP 988 HA ASP 988 -2.035 -14.350 -5.665 342 HB2 ASP 988 2HB ASP 988 -3.372 -12.154 -4.084 343 HB3 ASP 988 1HB ASP 988 -3.182 -12.026 -5.830 344 HA PRO 989 HA PRO 989 1.750 -12.153 -6.255 345 HB2 PRO 989 2HB PRO 989 1.224 -10.773 -8.636 346 HB3 PRO 989 1HB PRO 989 1.731 -12.469 -8.533 347 HG2 PRO 989 2HG PRO 989 -1.008 -11.339 -8.874 348 HG3 PRO 989 1HG PRO 989 -0.275 -12.768 -9.628 349 HD2 PRO 989 2HD PRO 989 -2.015 -13.006 -7.579 350 HD3 PRO 989 1HD PRO 989 -0.631 -14.109 -7.742 351 H ASP 990 H ASP 990 -1.249 -10.355 -6.504 352 HA ASP 990 HA ASP 990 -0.113 -7.754 -6.148 353 HB2 ASP 990 2HB ASP 990 -2.905 -8.851 -5.774 354 HB3 ASP 990 1HB ASP 990 -2.499 -7.155 -5.528 355 H SER 991 H SER 991 -1.245 -10.300 -4.021 356 HA SER 991 HA SER 991 -1.322 -8.746 -1.635 357 HB2 SER 991 2HB SER 991 -1.115 -11.729 -2.071 358 HB3 SER 991 1HB SER 991 -1.394 -10.963 -0.508 359 HG SER 991 HG SER 991 -3.010 -10.792 -2.839 360 H GLN 992 H GLN 992 1.076 -11.127 -2.849 361 HA GLN 992 HA GLN 992 2.911 -10.650 -0.730 362 HB2 GLN 992 2HB GLN 992 4.587 -11.621 -2.531 363 HB3 GLN 992 1HB GLN 992 3.369 -12.658 -1.795 364 HG2 GLN 992 2HG GLN 992 2.004 -12.645 -3.688 365 HG3 GLN 992 1HG GLN 992 2.727 -11.175 -4.331 366 HE21 GLN 992 1HE2 GLN 992 2.673 -14.505 -4.751 367 HE22 GLN 992 2HE2 GLN 992 4.168 -14.695 -5.532 368 H ARG 993 H ARG 993 2.501 -9.255 -3.954 369 HA ARG 993 HA ARG 993 4.852 -7.685 -3.939 370 HB2 ARG 993 2HB ARG 993 2.207 -7.348 -5.361 371 HB3 ARG 993 1HB ARG 993 3.565 -6.253 -5.605 372 HG2 ARG 993 2HG ARG 993 3.999 -9.224 -5.874 373 HG3 ARG 993 1HG ARG 993 3.256 -8.339 -7.205 374 HD2 ARG 993 2HD ARG 993 5.964 -7.777 -5.954 375 HD3 ARG 993 1HD ARG 993 5.664 -8.439 -7.555 376 HE ARG 993 HE ARG 993 4.320 -6.019 -7.490 377 HH11 ARG 993 1HH2 ARG 993 7.553 -7.180 -7.075 378 HH12 ARG 993 2HH2 ARG 993 8.297 -5.718 -7.627 379 HH21 ARG 993 1HH1 ARG 993 5.289 -4.096 -8.215 380 HH22 ARG 993 2HH1 ARG 993 7.016 -3.972 -8.272 381 H TYR 994 H TYR 994 1.577 -7.117 -2.715 382 HA TYR 994 HA TYR 994 1.930 -4.401 -2.028 383 HB2 TYR 994 2HB TYR 994 -0.295 -5.387 -2.007 384 HB3 TYR 994 1HB TYR 994 0.188 -6.521 -0.743 385 HD1 TYR 994 HD1 TYR 994 0.380 -2.815 -1.378 386 HD2 TYR 994 HD2 TYR 994 -0.468 -5.953 1.435 387 HE1 TYR 994 HE1 TYR 994 -0.143 -1.124 0.353 388 HE2 TYR 994 HE2 TYR 994 -1.002 -4.259 3.162 389 HH TYR 994 HH TYR 994 -0.744 -2.034 3.694 390 H ASN 995 H ASN 995 2.434 -7.401 -0.184 391 HA ASN 995 HA ASN 995 3.301 -6.216 2.218 392 HB2 ASN 995 2HB ASN 995 3.874 -8.882 0.919 393 HB3 ASN 995 1HB ASN 995 4.571 -8.443 2.478 394 HD21 ASN 995 1HD2 ASN 995 2.321 -10.428 1.584 395 HD22 ASN 995 2HD2 ASN 995 1.061 -10.083 2.667 396 H ALA 996 H ALA 996 5.031 -7.150 -0.729 397 HA ALA 996 HA ALA 996 7.643 -6.559 0.186 398 HB1 ALA 996 3HB ALA 996 6.601 -6.297 -2.619 399 HB2 ALA 996 1HB ALA 996 7.114 -7.826 -1.914 400 HB3 ALA 996 2HB ALA 996 8.272 -6.509 -2.143 401 H TRP 997 H TRP 997 5.210 -4.614 -1.528 402 HA TRP 997 HA TRP 997 6.717 -2.331 -1.931 403 HB2 TRP 997 2HB TRP 997 4.454 -2.582 -2.851 404 HB3 TRP 997 1HB TRP 997 3.772 -2.501 -1.226 405 HD1 TRP 997 HD TRP 997 6.030 -0.334 -3.504 406 HE1 TRP 997 HE1 TRP 997 5.474 2.146 -3.055 407 HE3 TRP 997 HE3 TRP 997 2.552 -0.864 0.199 408 HZ2 TRP 997 HZ2 TRP 997 3.773 3.693 -1.352 409 HZ3 TRP 997 HZ3 TRP 997 1.480 1.129 1.214 410 HH2 TRP 997 HH TRP 997 2.087 3.404 0.442 411 H LEU 998 H LEU 998 4.895 -3.379 0.927 412 HA LEU 998 HA LEU 998 5.426 -1.074 2.507 413 HB2 LEU 998 2HB LEU 998 4.845 -3.948 3.254 414 HB3 LEU 998 1HB LEU 998 5.009 -2.660 4.442 415 HG LEU 998 HG LEU 998 3.047 -2.574 2.131 416 HD11 LEU 998 1HD1 LEU 998 2.692 -3.487 4.996 417 HD12 LEU 998 2HD1 LEU 998 2.410 -4.425 3.530 418 HD13 LEU 998 3HD1 LEU 998 1.345 -3.079 3.933 419 HD21 LEU 998 3HD2 LEU 998 3.256 -0.355 2.838 420 HD22 LEU 998 1HD2 LEU 998 3.645 -0.805 4.498 421 HD23 LEU 998 2HD2 LEU 998 1.984 -0.910 3.919 422 H GLU 999 H GLU 999 7.122 -4.130 1.977 423 HA GLU 999 HA GLU 999 9.174 -3.780 3.884 424 HB2 GLU 999 2HB GLU 999 8.656 -5.928 2.741 425 HB3 GLU 999 1HB GLU 999 9.303 -5.266 1.238 426 HG2 GLU 999 2HG GLU 999 11.491 -4.950 2.293 427 HG3 GLU 999 1HG GLU 999 10.855 -5.536 3.830 428 H LEU1000 H LEU1000 9.049 -2.977 0.418 429 HA LEU1000 HA LEU1000 11.642 -1.915 0.174 430 HB2 LEU1000 2HB LEU1000 9.102 -1.130 -1.294 431 HB3 LEU1000 1HB LEU1000 10.735 -0.712 -1.801 432 HG LEU1000 HG LEU1000 9.608 -3.514 -1.551 433 HD11 LEU1000 1HD1 LEU1000 9.793 -3.566 -3.986 434 HD12 LEU1000 2HD1 LEU1000 10.436 -1.924 -3.988 435 HD13 LEU1000 3HD1 LEU1000 8.771 -2.219 -3.487 436 HD21 LEU1000 3HD2 LEU1000 12.378 -2.473 -2.067 437 HD22 LEU1000 1HD2 LEU1000 11.856 -3.966 -2.851 438 HD23 LEU1000 2HD2 LEU1000 11.859 -3.852 -1.095 439 H ARG1001 H ARG1001 8.543 -0.491 1.042 440 HA ARG1001 HA ARG1001 9.388 2.189 1.249 441 HB2 ARG1001 2HB ARG1001 7.045 1.662 1.158 442 HB3 ARG1001 1HB ARG1001 7.155 0.659 2.600 443 HG2 ARG1001 2HG ARG1001 7.592 2.564 3.990 444 HG3 ARG1001 1HG ARG1001 7.817 3.599 2.589 445 HD2 ARG1001 2HD ARG1001 5.446 3.302 1.986 446 HD3 ARG1001 1HD ARG1001 5.236 2.197 3.339 447 HE ARG1001 HE ARG1001 5.363 5.093 3.476 448 HH11 ARG1001 1HH2 ARG1001 5.823 2.086 5.117 449 HH12 ARG1001 2HH2 ARG1001 5.475 2.725 6.689 450 HH21 ARG1001 1HH1 ARG1001 4.912 5.951 5.542 451 HH22 ARG1001 2HH1 ARG1001 4.970 4.916 6.929 452 H ALA1002 H ALA1002 9.224 -0.403 3.661 453 HA ALA1002 HA ALA1002 9.915 1.119 5.888 454 HB1 ALA1002 3HB ALA1002 9.196 -1.157 6.218 455 HB2 ALA1002 1HB ALA1002 10.861 -1.052 6.791 456 HB3 ALA1002 2HB ALA1002 10.513 -1.773 5.219 457 H LYS1003 H LYS1003 11.773 -0.298 3.313 458 HA LYS1003 HA LYS1003 14.344 0.313 4.464 459 HB2 LYS1003 2HB LYS1003 13.550 -0.440 1.646 460 HB3 LYS1003 1HB LYS1003 15.212 -0.252 2.200 461 HG2 LYS1003 2HG LYS1003 14.762 -1.954 3.970 462 HG3 LYS1003 1HG LYS1003 13.167 -2.200 3.282 463 HD2 LYS1003 2HD LYS1003 14.166 -2.870 1.138 464 HD3 LYS1003 1HD LYS1003 15.780 -2.614 1.803 465 HE2 LYS1003 2HE LYS1003 15.332 -4.330 3.530 466 HE3 LYS1003 1HE LYS1003 13.738 -4.605 2.832 467 HZ1 LYS1003 3HZ LYS1003 16.125 -4.792 1.128 468 HZ2 LYS1003 1HZ LYS1003 14.621 -5.552 0.950 469 HZ3 LYS1003 2HZ LYS1003 15.712 -6.095 2.135 470 H ARG1004 H ARG1004 12.177 1.855 2.128 471 HA ARG1004 HA ARG1004 13.877 4.287 2.240 472 HB2 ARG1004 2HB ARG1004 13.506 4.710 -0.042 473 HB3 ARG1004 1HB ARG1004 13.844 2.987 0.029 474 HG2 ARG1004 2HG ARG1004 11.351 2.588 0.058 475 HG3 ARG1004 1HG ARG1004 11.137 4.309 -0.255 476 HD2 ARG1004 2HD ARG1004 12.503 4.109 -2.300 477 HD3 ARG1004 1HD ARG1004 12.681 2.382 -2.003 478 HE ARG1004 HE ARG1004 10.444 2.062 -2.647 479 HH11 ARG1004 1HH2 ARG1004 11.294 5.416 -2.460 480 HH12 ARG1004 2HH2 ARG1004 9.880 5.960 -3.301 481 HH21 ARG1004 1HH1 ARG1004 8.586 2.775 -3.740 482 HH22 ARG1004 2HH1 ARG1004 8.348 4.468 -4.020 483 H LEU1005 H LEU1005 12.935 5.982 3.079 484 HA LEU1005 HA LEU1005 10.311 6.845 2.502 485 HB2 LEU1005 2HB LEU1005 9.144 6.437 4.544 486 HB3 LEU1005 1HB LEU1005 9.794 4.887 4.029 487 HG LEU1005 HG LEU1005 10.885 6.705 6.189 488 HD11 LEU1005 1HD1 LEU1005 8.944 5.165 6.676 489 HD12 LEU1005 2HD1 LEU1005 10.381 4.860 7.653 490 HD13 LEU1005 3HD1 LEU1005 10.003 3.810 6.285 491 HD21 LEU1005 3HD2 LEU1005 12.841 5.862 5.114 492 HD22 LEU1005 1HD2 LEU1005 12.099 4.285 4.834 493 HD23 LEU1005 2HD2 LEU1005 12.561 4.769 6.466 494 H SER1006 H SER1006 9.665 8.683 4.069 495 HA SER1006 HA SER1006 10.187 10.703 5.034 496 HB2 SER1006 2HB SER1006 11.699 10.673 6.784 497 HB3 SER1006 1HB SER1006 11.489 8.939 6.563 498 HG SER1006 HG SER1006 13.673 9.386 6.569 Start of MODEL 4 1 HA2 GLY 945 2HA GLY 945 -21.848 15.847 3.510 2 HA3 GLY 945 1HA GLY 945 -22.620 17.393 3.859 3 H ALA 946 H ALA 946 -21.147 14.947 5.331 4 HA ALA 946 HA ALA 946 -22.440 15.459 7.887 5 HB1 ALA 946 3HB ALA 946 -23.669 13.484 6.877 6 HB2 ALA 946 1HB ALA 946 -22.869 13.144 8.412 7 HB3 ALA 946 2HB ALA 946 -22.135 12.614 6.900 8 H MET 947 H MET 947 -21.184 13.450 9.351 9 HA MET 947 HA MET 947 -18.533 14.471 9.564 10 HB2 MET 947 2HB MET 947 -19.646 11.894 10.707 11 HB3 MET 947 1HB MET 947 -18.232 12.779 11.283 12 HG2 MET 947 2HG MET 947 -21.065 13.859 11.235 13 HG3 MET 947 1HG MET 947 -20.242 13.245 12.669 14 HE1 MET 947 3HE MET 947 -18.965 14.653 14.230 15 HE2 MET 947 1HE MET 947 -17.712 15.771 13.672 16 HE3 MET 947 2HE MET 947 -17.689 14.087 13.156 17 H ALA 948 H ALA 948 -19.957 11.560 8.206 18 HA ALA 948 HA ALA 948 -19.075 9.832 6.964 19 HB1 ALA 948 3HB ALA 948 -17.962 10.641 4.917 20 HB2 ALA 948 1HB ALA 948 -17.786 12.236 5.656 21 HB3 ALA 948 2HB ALA 948 -19.391 11.596 5.306 22 H ILE 949 H ILE 949 -16.826 9.244 5.708 23 HA ILE 949 HA ILE 949 -14.601 9.569 7.626 24 HB ILE 949 HB ILE 949 -14.088 7.165 7.426 25 HG12 ILE 949 2HG1 ILE 949 -16.832 6.929 6.156 26 HG13 ILE 949 1HG1 ILE 949 -15.334 6.863 5.224 27 HG21 ILE 949 1HG2 ILE 949 -15.378 8.008 9.334 28 HG22 ILE 949 2HG2 ILE 949 -15.945 6.400 8.881 29 HG23 ILE 949 3HG2 ILE 949 -16.877 7.827 8.421 30 HD11 ILE 949 3HD1 ILE 949 -16.365 4.619 5.975 31 HD12 ILE 949 1HD1 ILE 949 -15.805 5.042 7.591 32 HD13 ILE 949 2HD1 ILE 949 -14.644 4.851 6.277 33 H ALA 950 H ALA 950 -12.539 9.365 6.771 34 HA ALA 950 HA ALA 950 -12.199 8.913 3.905 35 HB1 ALA 950 3HB ALA 950 -11.117 11.069 3.521 36 HB2 ALA 950 1HB ALA 950 -11.417 11.542 5.192 37 HB3 ALA 950 2HB ALA 950 -12.769 11.319 4.085 38 H LEU 951 H LEU 951 -11.334 7.391 6.074 39 HA LEU 951 HA LEU 951 -9.461 6.407 6.976 40 HB2 LEU 951 2HB LEU 951 -8.653 7.418 4.302 41 HB3 LEU 951 1HB LEU 951 -7.322 7.037 5.383 42 HG LEU 951 HG LEU 951 -8.195 4.765 5.692 43 HD11 LEU 951 1HD1 LEU 951 -10.553 4.977 5.515 44 HD12 LEU 951 2HD1 LEU 951 -10.089 4.088 4.067 45 HD13 LEU 951 3HD1 LEU 951 -10.438 5.815 3.969 46 HD21 LEU 951 3HD2 LEU 951 -7.948 4.018 3.279 47 HD22 LEU 951 1HD2 LEU 951 -6.657 5.071 3.861 48 HD23 LEU 951 2HD2 LEU 951 -7.934 5.725 2.836 49 H ARG 952 H ARG 952 -7.483 6.815 8.149 50 HA ARG 952 HA ARG 952 -7.494 9.368 9.426 51 HB2 ARG 952 2HB ARG 952 -5.544 7.058 9.575 52 HB3 ARG 952 1HB ARG 952 -5.480 8.482 10.613 53 HG2 ARG 952 2HG ARG 952 -7.705 7.998 11.485 54 HG3 ARG 952 1HG ARG 952 -7.871 6.637 10.375 55 HD2 ARG 952 2HD ARG 952 -5.656 6.831 12.427 56 HD3 ARG 952 1HD ARG 952 -7.189 6.019 12.742 57 HE ARG 952 HE ARG 952 -6.178 4.963 10.361 58 HH11 ARG 952 1HH2 ARG 952 -5.306 5.211 13.703 59 HH12 ARG 952 2HH2 ARG 952 -4.492 3.685 13.745 60 HH21 ARG 952 1HH1 ARG 952 -5.083 2.962 10.410 61 HH22 ARG 952 2HH1 ARG 952 -4.331 2.436 11.878 62 H ASP 953 H ASP 953 -5.272 10.517 9.728 63 HA ASP 953 HA ASP 953 -4.535 11.653 7.251 64 HB2 ASP 953 2HB ASP 953 -3.227 11.684 9.972 65 HB3 ASP 953 1HB ASP 953 -2.607 12.607 8.605 66 H ASP 954 H ASP 954 -2.950 9.245 9.316 67 HA ASP 954 HA ASP 954 -0.651 8.902 7.668 68 HB2 ASP 954 2HB ASP 954 -1.921 7.168 9.792 69 HB3 ASP 954 1HB ASP 954 -0.407 6.764 8.987 70 H GLU 955 H GLU 955 -3.730 7.188 7.960 71 HA GLU 955 HA GLU 955 -3.131 5.115 6.135 72 HB2 GLU 955 2HB GLU 955 -5.767 6.299 7.023 73 HB3 GLU 955 1HB GLU 955 -5.606 4.812 6.090 74 HG2 GLU 955 2HG GLU 955 -4.279 5.280 8.771 75 HG3 GLU 955 1HG GLU 955 -5.810 4.440 8.574 76 H TYR 956 H TYR 956 -4.733 8.255 5.740 77 HA TYR 956 HA TYR 956 -5.529 7.958 3.062 78 HB2 TYR 956 2HB TYR 956 -6.339 9.795 4.462 79 HB3 TYR 956 1HB TYR 956 -4.706 10.451 4.576 80 HD1 TYR 956 HD2 TYR 956 -3.607 11.482 2.642 81 HD2 TYR 956 HD1 TYR 956 -7.651 10.037 2.415 82 HE1 TYR 956 HE2 TYR 956 -3.941 12.741 0.534 83 HE2 TYR 956 HE1 TYR 956 -7.978 11.302 0.304 84 HH TYR 956 HH TYR 956 -6.978 13.303 -0.808 85 H ASP 957 H ASP 957 -2.545 9.210 4.490 86 HA ASP 957 HA ASP 957 -1.290 9.953 2.060 87 HB2 ASP 957 2HB ASP 957 -0.351 9.384 4.857 88 HB3 ASP 957 1HB ASP 957 0.847 9.549 3.578 89 H GLU 958 H GLU 958 -1.404 6.948 3.895 90 HA GLU 958 HA GLU 958 0.559 5.552 2.394 91 HB2 GLU 958 2HB GLU 958 -0.211 4.800 4.612 92 HB3 GLU 958 1HB GLU 958 -1.806 4.452 3.941 93 HG2 GLU 958 2HG GLU 958 -0.839 2.797 2.422 94 HG3 GLU 958 1HG GLU 958 0.783 3.192 2.993 95 H TRP 959 H TRP 959 -2.953 5.903 2.079 96 HA TRP 959 HA TRP 959 -3.302 4.047 -0.029 97 HB2 TRP 959 2HB TRP 959 -5.251 4.720 1.133 98 HB3 TRP 959 1HB TRP 959 -4.891 6.429 0.930 99 HD1 TRP 959 HD TRP 959 -5.389 3.439 -1.475 100 HE1 TRP 959 HE1 TRP 959 -6.944 4.207 -3.386 101 HE3 TRP 959 HE3 TRP 959 -6.168 8.269 -0.066 102 HZ2 TRP 959 HZ2 TRP 959 -8.340 6.574 -4.200 103 HZ3 TRP 959 HZ3 TRP 959 -7.606 9.760 -1.415 104 HH2 TRP 959 HH TRP 959 -8.688 8.929 -3.485 105 H GLN 960 H GLN 960 -2.709 7.577 -0.049 106 HA GLN 960 HA GLN 960 -2.770 7.815 -2.871 107 HB2 GLN 960 2HB GLN 960 -1.495 9.493 -0.712 108 HB3 GLN 960 1HB GLN 960 -1.422 9.937 -2.418 109 HG2 GLN 960 2HG GLN 960 -3.995 9.408 -0.898 110 HG3 GLN 960 1HG GLN 960 -3.322 11.015 -1.174 111 HE21 GLN 960 1HE2 GLN 960 -5.529 8.832 -2.439 112 HE22 GLN 960 2HE2 GLN 960 -5.569 9.394 -4.038 113 H ASP 961 H ASP 961 -0.189 7.095 -0.606 114 HA ASP 961 HA ASP 961 1.971 7.288 -2.424 115 HB2 ASP 961 2HB ASP 961 2.124 7.202 0.096 116 HB3 ASP 961 1HB ASP 961 1.813 5.476 -0.017 117 H ILE 962 H ILE 962 -0.193 4.620 -1.542 118 HA ILE 962 HA ILE 962 1.289 2.642 -2.960 119 HB ILE 962 HB ILE 962 -0.742 2.582 -1.117 120 HG12 ILE 962 2HG1 ILE 962 0.766 0.758 -1.491 121 HG13 ILE 962 1HG1 ILE 962 -0.866 0.134 -1.585 122 HG21 ILE 962 1HG2 ILE 962 -2.424 3.158 -2.845 123 HG22 ILE 962 2HG2 ILE 962 -2.715 1.577 -2.136 124 HG23 ILE 962 3HG2 ILE 962 -1.974 1.717 -3.724 125 HD11 ILE 962 3HD1 ILE 962 1.221 0.289 -3.667 126 HD12 ILE 962 1HD1 ILE 962 -0.386 0.774 -4.209 127 HD13 ILE 962 2HD1 ILE 962 -0.136 -0.822 -3.513 128 H ILE 963 H ILE 963 -1.407 4.769 -3.734 129 HA ILE 963 HA ILE 963 -2.025 3.772 -6.294 130 HB ILE 963 HB ILE 963 -2.211 6.553 -5.130 131 HG12 ILE 963 2HG1 ILE 963 -4.358 4.524 -5.724 132 HG13 ILE 963 1HG1 ILE 963 -3.593 4.689 -4.158 133 HG21 ILE 963 1HG2 ILE 963 -2.165 6.886 -7.489 134 HG22 ILE 963 2HG2 ILE 963 -3.879 6.860 -7.072 135 HG23 ILE 963 3HG2 ILE 963 -3.121 5.436 -7.784 136 HD11 ILE 963 3HD1 ILE 963 -4.672 6.663 -3.686 137 HD12 ILE 963 1HD1 ILE 963 -5.850 6.005 -4.819 138 HD13 ILE 963 2HD1 ILE 963 -4.674 7.193 -5.370 139 H ARG 964 H ARG 964 0.304 6.214 -5.195 140 HA ARG 964 HA ARG 964 1.254 6.974 -7.734 141 HB2 ARG 964 2HB ARG 964 1.735 8.095 -5.491 142 HB3 ARG 964 1HB ARG 964 2.945 6.838 -5.231 143 HG2 ARG 964 2HG ARG 964 4.103 7.483 -7.288 144 HG3 ARG 964 1HG ARG 964 2.863 8.694 -7.631 145 HD2 ARG 964 2HD ARG 964 4.594 8.685 -5.141 146 HD3 ARG 964 1HD ARG 964 4.919 9.662 -6.571 147 HE ARG 964 HE ARG 964 2.297 10.219 -5.839 148 HH11 ARG 964 1HH2 ARG 964 5.463 10.390 -4.475 149 HH12 ARG 964 2HH2 ARG 964 5.125 11.766 -3.478 150 HH21 ARG 964 1HH1 ARG 964 1.831 12.045 -4.536 151 HH22 ARG 964 2HH1 ARG 964 3.068 12.710 -3.523 152 H ASP 965 H ASP 965 2.113 4.346 -5.534 153 HA ASP 965 HA ASP 965 4.389 3.399 -6.878 154 HB2 ASP 965 2HB ASP 965 3.551 2.643 -4.616 155 HB3 ASP 965 1HB ASP 965 2.376 1.648 -5.471 156 H TRP 966 H TRP 966 0.931 2.574 -7.344 157 HA TRP 966 HA TRP 966 1.522 0.738 -9.489 158 HB2 TRP 966 2HB TRP 966 -1.104 2.115 -8.898 159 HB3 TRP 966 1HB TRP 966 -0.871 0.698 -9.911 160 HD1 TRP 966 HD TRP 966 -2.224 1.492 -6.784 161 HE1 TRP 966 HE1 TRP 966 -2.070 -0.415 -5.075 162 HE3 TRP 966 HE3 TRP 966 1.298 -1.469 -9.052 163 HZ2 TRP 966 HZ2 TRP 966 -0.650 -2.874 -4.704 164 HZ3 TRP 966 HZ3 TRP 966 2.013 -3.587 -7.992 165 HH2 TRP 966 HH TRP 966 1.048 -4.289 -5.822 166 H ARG 967 H ARG 967 1.792 3.985 -9.251 167 HA ARG 967 HA ARG 967 1.917 5.731 -10.725 168 HB2 ARG 967 2HB ARG 967 2.509 3.430 -12.590 169 HB3 ARG 967 1HB ARG 967 2.733 5.131 -13.004 170 HG2 ARG 967 2HG ARG 967 4.269 5.393 -11.086 171 HG3 ARG 967 1HG ARG 967 4.068 3.683 -10.695 172 HD2 ARG 967 2HD ARG 967 4.927 3.089 -12.946 173 HD3 ARG 967 1HD ARG 967 5.206 4.796 -13.276 174 HE ARG 967 HE ARG 967 6.781 3.080 -11.539 175 HH11 ARG 967 1HH2 ARG 967 5.921 6.292 -12.496 176 HH12 ARG 967 2HH2 ARG 967 7.393 7.007 -11.936 177 HH21 ARG 967 1HH1 ARG 967 8.711 3.993 -10.810 178 HH22 ARG 967 2HH1 ARG 967 8.989 5.695 -10.982 179 H LYS 968 H LYS 968 -0.765 4.565 -10.317 180 HA LYS 968 HA LYS 968 -2.025 5.822 -12.642 181 HB2 LYS 968 2HB LYS 968 -3.596 4.007 -13.040 182 HB3 LYS 968 1HB LYS 968 -1.946 3.422 -13.239 183 HG2 LYS 968 2HG LYS 968 -1.995 2.438 -11.007 184 HG3 LYS 968 1HG LYS 968 -3.620 3.060 -10.728 185 HD2 LYS 968 2HD LYS 968 -4.393 1.750 -12.725 186 HD3 LYS 968 1HD LYS 968 -2.784 1.035 -12.822 187 HE2 LYS 968 2HE LYS 968 -3.027 0.097 -10.579 188 HE3 LYS 968 1HE LYS 968 -4.592 0.882 -10.390 189 HZ1 LYS 968 3HZ LYS 968 -4.755 -0.532 -12.742 190 HZ2 LYS 968 1HZ LYS 968 -5.472 -0.932 -11.263 191 HZ3 LYS 968 2HZ LYS 968 -3.948 -1.568 -11.663 192 H GLU 969 H GLU 969 -4.668 4.748 -11.761 193 HA GLU 969 HA GLU 969 -4.946 6.098 -9.141 194 HB2 GLU 969 2HB GLU 969 -6.973 7.229 -10.011 195 HB3 GLU 969 1HB GLU 969 -5.496 7.766 -10.808 196 HG2 GLU 969 2HG GLU 969 -5.945 6.246 -12.685 197 HG3 GLU 969 1HG GLU 969 -7.414 5.684 -11.890 198 H MET 970 H MET 970 -6.472 5.269 -7.796 199 HA MET 970 HA MET 970 -8.503 3.441 -8.754 200 HB2 MET 970 2HB MET 970 -7.767 1.658 -7.056 201 HB3 MET 970 1HB MET 970 -6.834 1.770 -8.546 202 HG2 MET 970 2HG MET 970 -5.157 3.150 -7.392 203 HG3 MET 970 1HG MET 970 -6.086 3.016 -5.894 204 HE1 MET 970 3HE MET 970 -3.773 2.211 -4.892 205 HE2 MET 970 1HE MET 970 -3.833 0.498 -4.457 206 HE3 MET 970 2HE MET 970 -5.225 1.535 -4.163 207 H THR 971 H THR 971 -9.731 2.557 -6.653 208 HA THR 971 HA THR 971 -10.220 4.967 -5.035 209 HB THR 971 HB THR 971 -12.277 3.728 -4.329 210 HG1 THR 971 HG1 THR 971 -12.593 1.949 -6.051 211 HG21 THR 971 3HG2 THR 971 -11.806 4.035 -7.306 212 HG22 THR 971 1HG2 THR 971 -12.329 5.310 -6.205 213 HG23 THR 971 2HG2 THR 971 -13.385 3.938 -6.533 214 H VAL 972 H VAL 972 -10.741 4.737 -2.776 215 HA VAL 972 HA VAL 972 -8.699 3.515 -1.239 216 HB VAL 972 HB VAL 972 -11.340 4.842 -0.610 217 HG11 VAL 972 1HG1 VAL 972 -9.492 3.347 1.239 218 HG12 VAL 972 2HG1 VAL 972 -11.252 3.415 1.244 219 HG13 VAL 972 3HG1 VAL 972 -10.317 4.790 1.827 220 HG21 VAL 972 3HG2 VAL 972 -9.457 6.246 -1.340 221 HG22 VAL 972 1HG2 VAL 972 -8.442 5.555 -0.076 222 HG23 VAL 972 2HG2 VAL 972 -9.830 6.550 0.357 223 H GLN 973 H GLN 973 -12.086 2.668 -1.881 224 HA GLN 973 HA GLN 973 -12.368 0.531 -0.118 225 HB2 GLN 973 2HB GLN 973 -14.117 1.654 -1.642 226 HB3 GLN 973 1HB GLN 973 -13.565 0.537 -2.888 227 HG2 GLN 973 2HG GLN 973 -15.422 -0.525 -1.817 228 HG3 GLN 973 1HG GLN 973 -13.976 -1.338 -1.216 229 HE21 GLN 973 1HE2 GLN 973 -15.560 1.770 -0.280 230 HE22 GLN 973 2HE2 GLN 973 -15.686 1.369 1.367 231 H GLN 974 H GLN 974 -11.053 0.591 -3.413 232 HA GLN 974 HA GLN 974 -10.664 -2.196 -3.692 233 HB2 GLN 974 2HB GLN 974 -9.552 0.276 -4.976 234 HB3 GLN 974 1HB GLN 974 -8.764 -1.266 -5.310 235 HG2 GLN 974 2HG GLN 974 -10.578 -0.606 -6.945 236 HG3 GLN 974 1HG GLN 974 -10.781 -2.197 -6.220 237 HE21 GLN 974 1HE2 GLN 974 -12.547 0.386 -7.125 238 HE22 GLN 974 2HE2 GLN 974 -13.781 0.349 -5.960 239 H PHE 975 H PHE 975 -8.641 0.384 -2.347 240 HA PHE 975 HA PHE 975 -6.289 -1.119 -1.962 241 HB2 PHE 975 2HB PHE 975 -6.225 1.284 -1.726 242 HB3 PHE 975 1HB PHE 975 -7.397 1.233 -0.416 243 HD1 PHE 975 HD1 PHE 975 -4.060 -0.214 -1.349 244 HD2 PHE 975 HD2 PHE 975 -6.617 1.231 1.792 245 HE1 PHE 975 HE1 PHE 975 -2.226 -0.512 0.289 246 HE2 PHE 975 HE2 PHE 975 -4.776 0.930 3.422 247 HZ PHE 975 HZ PHE 975 -2.583 0.056 2.671 248 H LEU 976 H LEU 976 -9.110 -0.567 0.131 249 HA LEU 976 HA LEU 976 -8.181 -2.034 2.363 250 HB2 LEU 976 2HB LEU 976 -10.893 -1.179 1.383 251 HB3 LEU 976 1HB LEU 976 -10.791 -2.319 2.720 252 HG LEU 976 HG LEU 976 -9.197 -0.612 3.826 253 HD11 LEU 976 1HD1 LEU 976 -9.350 1.674 3.069 254 HD12 LEU 976 2HD1 LEU 976 -10.530 1.241 1.832 255 HD13 LEU 976 3HD1 LEU 976 -8.862 0.692 1.694 256 HD21 LEU 976 3HD2 LEU 976 -11.073 0.656 4.732 257 HD22 LEU 976 1HD2 LEU 976 -11.580 -1.014 4.484 258 HD23 LEU 976 2HD2 LEU 976 -12.068 0.235 3.337 259 H ASP 977 H ASP 977 -9.941 -3.012 -0.559 260 HA ASP 977 HA ASP 977 -10.440 -5.674 0.292 261 HB2 ASP 977 2HB ASP 977 -11.467 -4.449 -1.709 262 HB3 ASP 977 1HB ASP 977 -9.965 -4.806 -2.560 263 H LEU 978 H LEU 978 -7.723 -4.097 -1.320 264 HA LEU 978 HA LEU 978 -6.300 -6.450 -1.977 265 HB2 LEU 978 2HB LEU 978 -5.776 -4.411 -3.104 266 HB3 LEU 978 1HB LEU 978 -5.402 -3.589 -1.593 267 HG LEU 978 HG LEU 978 -3.446 -5.016 -1.253 268 HD11 LEU 978 1HD1 LEU 978 -2.810 -6.552 -3.211 269 HD12 LEU 978 2HD1 LEU 978 -4.495 -6.423 -3.715 270 HD13 LEU 978 3HD1 LEU 978 -4.091 -7.120 -2.147 271 HD21 LEU 978 3HD2 LEU 978 -2.076 -4.150 -3.000 272 HD22 LEU 978 1HD2 LEU 978 -3.370 -2.974 -2.779 273 HD23 LEU 978 2HD2 LEU 978 -3.427 -4.102 -4.135 274 H LYS 979 H LYS 979 -5.988 -4.255 0.847 275 HA LYS 979 HA LYS 979 -3.863 -5.747 2.024 276 HB2 LYS 979 2HB LYS 979 -4.076 -4.292 3.859 277 HB3 LYS 979 1HB LYS 979 -4.634 -3.311 2.506 278 HG2 LYS 979 2HG LYS 979 -6.966 -3.966 3.078 279 HG3 LYS 979 1HG LYS 979 -6.363 -4.769 4.513 280 HD2 LYS 979 2HD LYS 979 -5.266 -2.541 5.110 281 HD3 LYS 979 1HD LYS 979 -6.265 -1.840 3.836 282 HE2 LYS 979 2HE LYS 979 -7.232 -3.296 6.312 283 HE3 LYS 979 1HE LYS 979 -7.473 -1.589 5.919 284 HZ1 LYS 979 3HZ LYS 979 -9.066 -3.768 5.197 285 HZ2 LYS 979 1HZ LYS 979 -8.388 -3.143 3.777 286 HZ3 LYS 979 2HZ LYS 979 -9.290 -2.133 4.796 287 H GLU 980 H GLU 980 -7.391 -5.744 2.484 288 HA GLU 980 HA GLU 980 -7.526 -7.598 4.559 289 HB2 GLU 980 2HB GLU 980 -9.472 -6.349 3.621 290 HB3 GLU 980 1HB GLU 980 -9.435 -7.415 2.216 291 HG2 GLU 980 2HG GLU 980 -9.785 -9.367 3.683 292 HG3 GLU 980 1HG GLU 980 -9.788 -8.309 5.091 293 H ARG 981 H ARG 981 -7.390 -8.149 1.045 294 HA ARG 981 HA ARG 981 -7.516 -10.970 1.133 295 HB2 ARG 981 2HB ARG 981 -6.361 -9.045 -0.881 296 HB3 ARG 981 1HB ARG 981 -6.394 -10.784 -1.150 297 HG2 ARG 981 2HG ARG 981 -8.958 -9.433 -0.334 298 HG3 ARG 981 1HG ARG 981 -8.395 -9.215 -1.988 299 HD2 ARG 981 2HD ARG 981 -9.864 -11.126 -1.963 300 HD3 ARG 981 1HD ARG 981 -8.225 -11.714 -2.202 301 HE ARG 981 HE ARG 981 -8.321 -12.732 -0.106 302 HH11 ARG 981 1HH2 ARG 981 -10.935 -10.508 -0.544 303 HH12 ARG 981 2HH2 ARG 981 -11.843 -11.092 0.813 304 HH21 ARG 981 1HH1 ARG 981 -9.508 -13.508 1.667 305 HH22 ARG 981 2HH1 ARG 981 -11.043 -12.800 2.053 306 H ALA 982 H ALA 982 -4.692 -8.772 0.992 307 HA ALA 982 HA ALA 982 -2.728 -10.811 0.962 308 HB1 ALA 982 3HB ALA 982 -1.152 -9.074 1.575 309 HB2 ALA 982 1HB ALA 982 -2.468 -8.022 2.081 310 HB3 ALA 982 2HB ALA 982 -2.280 -8.439 0.392 311 H LEU 983 H LEU 983 -4.062 -8.880 3.600 312 HA LEU 983 HA LEU 983 -2.490 -10.036 5.591 313 HB2 LEU 983 2HB LEU 983 -4.989 -8.381 5.561 314 HB3 LEU 983 1HB LEU 983 -4.579 -9.223 7.054 315 HG LEU 983 HG LEU 983 -2.384 -8.165 7.099 316 HD11 LEU 983 1HD1 LEU 983 -3.217 -6.841 4.526 317 HD12 LEU 983 2HD1 LEU 983 -1.912 -7.993 4.717 318 HD13 LEU 983 3HD1 LEU 983 -1.799 -6.400 5.457 319 HD21 LEU 983 3HD2 LEU 983 -4.623 -6.191 6.605 320 HD22 LEU 983 1HD2 LEU 983 -3.101 -5.811 7.412 321 HD23 LEU 983 2HD2 LEU 983 -4.224 -6.955 8.143 322 H SER 984 H SER 984 -5.339 -11.065 3.938 323 HA SER 984 HA SER 984 -6.074 -13.099 5.862 324 HB2 SER 984 2HB SER 984 -7.939 -12.467 4.621 325 HB3 SER 984 1HB SER 984 -7.010 -12.276 3.139 326 HG SER 984 HG SER 984 -8.410 -14.367 3.905 327 H GLY 985 H GLY 985 -3.496 -12.778 3.884 328 HA2 GLY 985 2HA GLY 985 -1.807 -14.368 3.568 329 HA3 GLY 985 1HA GLY 985 -2.961 -15.648 3.906 330 H ALA 986 H ALA 986 -3.620 -13.116 1.541 331 HA ALA 986 HA ALA 986 -4.152 -15.040 -0.494 332 HB1 ALA 986 3HB ALA 986 -3.726 -12.052 -0.730 333 HB2 ALA 986 1HB ALA 986 -5.263 -12.858 -0.475 334 HB3 ALA 986 2HB ALA 986 -4.397 -13.094 -1.985 335 H SER 987 H SER 987 -2.993 -15.570 -2.330 336 HA SER 987 HA SER 987 -0.106 -15.015 -2.164 337 HB2 SER 987 2HB SER 987 -0.396 -17.336 -2.253 338 HB3 SER 987 1HB SER 987 -1.738 -17.220 -3.388 339 HG SER 987 HG SER 987 -0.342 -17.255 -4.956 340 H ASP 988 H ASP 988 -2.806 -13.906 -3.738 341 HA ASP 988 HA ASP 988 -2.306 -13.650 -6.400 342 HB2 ASP 988 2HB ASP 988 -3.309 -11.576 -4.444 343 HB3 ASP 988 1HB ASP 988 -3.312 -11.324 -6.185 344 HA PRO 989 HA PRO 989 1.601 -11.611 -6.878 345 HB2 PRO 989 2HB PRO 989 1.058 -9.868 -8.989 346 HB3 PRO 989 1HB PRO 989 1.418 -11.594 -9.182 347 HG2 PRO 989 2HG PRO 989 -1.235 -10.217 -9.107 348 HG3 PRO 989 1HG PRO 989 -0.673 -11.514 -10.180 349 HD2 PRO 989 2HD PRO 989 -2.278 -12.067 -8.107 350 HD3 PRO 989 1HD PRO 989 -0.952 -13.169 -8.540 351 H ASP 990 H ASP 990 -1.324 -9.729 -6.668 352 HA ASP 990 HA ASP 990 -0.075 -7.231 -6.017 353 HB2 ASP 990 2HB ASP 990 -2.902 -8.138 -5.421 354 HB3 ASP 990 1HB ASP 990 -2.310 -6.478 -5.464 355 H SER 991 H SER 991 -1.043 -10.073 -4.254 356 HA SER 991 HA SER 991 -1.108 -8.901 -1.648 357 HB2 SER 991 2HB SER 991 -1.372 -11.094 -0.870 358 HB3 SER 991 1HB SER 991 -2.072 -11.168 -2.484 359 HG SER 991 HG SER 991 -0.663 -12.859 -2.334 360 H GLN 992 H GLN 992 1.296 -10.952 -3.297 361 HA GLN 992 HA GLN 992 3.257 -10.717 -1.266 362 HB2 GLN 992 2HB GLN 992 4.750 -11.320 -3.468 363 HB3 GLN 992 1HB GLN 992 3.803 -12.514 -2.581 364 HG2 GLN 992 2HG GLN 992 2.011 -12.413 -4.120 365 HG3 GLN 992 1HG GLN 992 2.607 -10.925 -4.844 366 HE21 GLN 992 1HE2 GLN 992 5.013 -11.246 -5.757 367 HE22 GLN 992 2HE2 GLN 992 5.252 -12.674 -6.644 368 H ARG 993 H ARG 993 2.688 -8.922 -4.264 369 HA ARG 993 HA ARG 993 4.997 -7.279 -4.084 370 HB2 ARG 993 2HB ARG 993 2.346 -6.932 -5.492 371 HB3 ARG 993 1HB ARG 993 3.653 -5.747 -5.602 372 HG2 ARG 993 2HG ARG 993 5.166 -7.427 -6.500 373 HG3 ARG 993 1HG ARG 993 3.956 -8.688 -6.276 374 HD2 ARG 993 2HD ARG 993 2.467 -7.546 -7.877 375 HD3 ARG 993 1HD ARG 993 3.661 -6.270 -8.089 376 HE ARG 993 HE ARG 993 5.047 -8.533 -8.719 377 HH11 ARG 993 1HH2 ARG 993 2.020 -7.153 -9.691 378 HH12 ARG 993 2HH2 ARG 993 2.073 -7.824 -11.288 379 HH21 ARG 993 1HH1 ARG 993 5.112 -9.412 -10.824 380 HH22 ARG 993 2HH1 ARG 993 3.800 -9.115 -11.915 381 H TYR 994 H TYR 994 1.711 -7.000 -2.800 382 HA TYR 994 HA TYR 994 1.902 -4.346 -1.859 383 HB2 TYR 994 2HB TYR 994 -0.254 -5.384 -1.957 384 HB3 TYR 994 1HB TYR 994 0.267 -6.711 -0.923 385 HD1 TYR 994 HD1 TYR 994 0.330 -2.950 -0.814 386 HD2 TYR 994 HD2 TYR 994 -0.527 -6.608 1.273 387 HE1 TYR 994 HE1 TYR 994 -0.374 -1.653 1.179 388 HE2 TYR 994 HE2 TYR 994 -1.227 -5.307 3.263 389 HH TYR 994 HH TYR 994 -0.558 -2.771 4.130 390 H ASN 995 H ASN 995 2.640 -7.466 -0.305 391 HA ASN 995 HA ASN 995 3.361 -6.432 2.218 392 HB2 ASN 995 2HB ASN 995 4.283 -8.905 0.736 393 HB3 ASN 995 1HB ASN 995 4.677 -8.570 2.422 394 HD21 ASN 995 1HD2 ASN 995 2.961 -10.795 1.356 395 HD22 ASN 995 2HD2 ASN 995 1.433 -10.576 2.066 396 H ALA 996 H ALA 996 5.243 -7.051 -0.725 397 HA ALA 996 HA ALA 996 7.753 -6.280 0.349 398 HB1 ALA 996 3HB ALA 996 6.843 -5.985 -2.499 399 HB2 ALA 996 1HB ALA 996 7.426 -7.500 -1.825 400 HB3 ALA 996 2HB ALA 996 8.496 -6.094 -1.933 401 H TRP 997 H TRP 997 5.201 -4.534 -1.366 402 HA TRP 997 HA TRP 997 6.428 -2.093 -1.673 403 HB2 TRP 997 2HB TRP 997 4.189 -2.649 -2.588 404 HB3 TRP 997 1HB TRP 997 3.522 -2.572 -0.959 405 HD1 TRP 997 HD TRP 997 5.222 -0.334 -3.579 406 HE1 TRP 997 HE1 TRP 997 4.526 2.110 -3.132 407 HE3 TRP 997 HE3 TRP 997 2.597 -0.941 0.757 408 HZ2 TRP 997 HZ2 TRP 997 3.047 3.612 -1.191 409 HZ3 TRP 997 HZ3 TRP 997 1.558 1.010 1.884 410 HH2 TRP 997 HH TRP 997 1.784 3.281 0.912 411 H LEU 998 H LEU 998 4.753 -3.461 1.145 412 HA LEU 998 HA LEU 998 4.947 -1.156 2.786 413 HB2 LEU 998 2HB LEU 998 4.708 -4.102 3.402 414 HB3 LEU 998 1HB LEU 998 4.850 -2.906 4.680 415 HG LEU 998 HG LEU 998 2.755 -2.711 2.497 416 HD11 LEU 998 1HD1 LEU 998 1.177 -3.727 4.099 417 HD12 LEU 998 2HD1 LEU 998 2.500 -3.989 5.239 418 HD13 LEU 998 3HD1 LEU 998 2.481 -4.848 3.699 419 HD21 LEU 998 3HD2 LEU 998 2.860 -0.623 3.581 420 HD22 LEU 998 1HD2 LEU 998 3.256 -1.338 5.143 421 HD23 LEU 998 2HD2 LEU 998 1.617 -1.451 4.508 422 H GLU 999 H GLU 999 7.057 -3.939 2.210 423 HA GLU 999 HA GLU 999 9.062 -3.307 4.097 424 HB2 GLU 999 2HB GLU 999 8.895 -5.493 2.952 425 HB3 GLU 999 1HB GLU 999 9.348 -4.733 1.426 426 HG2 GLU 999 2HG GLU 999 11.511 -4.075 2.365 427 HG3 GLU 999 1HG GLU 999 11.056 -4.739 3.935 428 H LEU1000 H LEU1000 8.730 -2.445 0.659 429 HA LEU1000 HA LEU1000 11.142 -1.022 0.398 430 HB2 LEU1000 2HB LEU1000 8.484 -0.532 -0.989 431 HB3 LEU1000 1HB LEU1000 10.038 0.111 -1.514 432 HG LEU1000 HG LEU1000 9.284 -2.816 -1.334 433 HD11 LEU1000 1HD1 LEU1000 9.883 -1.122 -3.766 434 HD12 LEU1000 2HD1 LEU1000 8.257 -1.500 -3.197 435 HD13 LEU1000 3HD1 LEU1000 9.321 -2.793 -3.744 436 HD21 LEU1000 3HD2 LEU1000 11.883 -1.413 -1.900 437 HD22 LEU1000 1HD2 LEU1000 11.531 -2.953 -2.694 438 HD23 LEU1000 2HD2 LEU1000 11.576 -2.859 -0.938 439 H ARG1001 H ARG1001 7.906 -0.094 1.438 440 HA ARG1001 HA ARG1001 8.439 2.649 1.769 441 HB2 ARG1001 2HB ARG1001 6.189 2.202 1.718 442 HB3 ARG1001 1HB ARG1001 6.321 0.773 2.731 443 HG2 ARG1001 2HG ARG1001 6.581 2.122 4.708 444 HG3 ARG1001 1HG ARG1001 6.784 3.588 3.752 445 HD2 ARG1001 2HD ARG1001 4.471 3.336 2.917 446 HD3 ARG1001 1HD ARG1001 4.281 1.883 3.892 447 HE ARG1001 HE ARG1001 4.250 4.626 4.853 448 HH11 ARG1001 1HH2 ARG1001 4.656 1.268 5.581 449 HH12 ARG1001 2HH2 ARG1001 4.307 1.452 7.268 450 HH21 ARG1001 1HH1 ARG1001 3.735 4.864 7.046 451 HH22 ARG1001 2HH1 ARG1001 3.736 3.481 8.090 452 H ALA1002 H ALA1002 8.716 -0.114 3.954 453 HA ALA1002 HA ALA1002 9.205 1.277 6.301 454 HB1 ALA1002 3HB ALA1002 8.962 -1.084 6.489 455 HB2 ALA1002 1HB ALA1002 10.636 -0.746 6.929 456 HB3 ALA1002 2HB ALA1002 10.259 -1.385 5.333 457 H LYS1003 H LYS1003 11.208 0.523 3.566 458 HA LYS1003 HA LYS1003 13.638 1.563 4.728 459 HB2 LYS1003 2HB LYS1003 12.919 0.921 1.857 460 HB3 LYS1003 1HB LYS1003 14.526 1.388 2.413 461 HG2 LYS1003 2HG LYS1003 14.459 -0.535 4.019 462 HG3 LYS1003 1HG LYS1003 12.951 -1.053 3.278 463 HD2 LYS1003 2HD LYS1003 14.022 -1.353 1.130 464 HD3 LYS1003 1HD LYS1003 15.523 -0.650 1.734 465 HE2 LYS1003 2HE LYS1003 15.685 -3.101 1.700 466 HE3 LYS1003 1HE LYS1003 15.723 -2.507 3.360 467 HZ1 LYS1003 3HZ LYS1003 13.266 -2.905 3.399 468 HZ2 LYS1003 1HZ LYS1003 14.221 -4.308 3.313 469 HZ3 LYS1003 2HZ LYS1003 13.434 -3.727 1.924 470 H ARG1004 H ARG1004 11.040 2.790 2.715 471 HA ARG1004 HA ARG1004 12.183 5.205 1.843 472 HB2 ARG1004 2HB ARG1004 10.084 4.309 0.939 473 HB3 ARG1004 1HB ARG1004 9.310 4.554 2.497 474 HG2 ARG1004 2HG ARG1004 8.804 6.330 0.802 475 HG3 ARG1004 1HG ARG1004 9.453 6.915 2.326 476 HD2 ARG1004 2HD ARG1004 11.549 7.416 1.378 477 HD3 ARG1004 1HD ARG1004 11.287 6.339 0.007 478 HE ARG1004 HE ARG1004 9.336 8.144 -0.365 479 HH11 ARG1004 1HH2 ARG1004 12.699 8.467 0.393 480 HH12 ARG1004 2HH2 ARG1004 12.859 10.016 -0.359 481 HH21 ARG1004 1HH1 ARG1004 9.553 10.170 -1.379 482 HH22 ARG1004 2HH1 ARG1004 11.089 10.970 -1.370 483 H LEU1005 H LEU1005 10.505 4.377 4.847 484 HA LEU1005 HA LEU1005 10.252 6.989 5.879 485 HB2 LEU1005 2HB LEU1005 10.653 4.381 7.372 486 HB3 LEU1005 1HB LEU1005 10.088 5.892 8.082 487 HG LEU1005 HG LEU1005 8.682 4.473 5.799 488 HD11 LEU1005 1HD1 LEU1005 7.002 3.943 7.670 489 HD12 LEU1005 2HD1 LEU1005 8.312 4.316 8.792 490 HD13 LEU1005 3HD1 LEU1005 8.490 2.998 7.631 491 HD21 LEU1005 3HD2 LEU1005 7.947 6.689 5.727 492 HD22 LEU1005 1HD2 LEU1005 8.109 6.921 7.468 493 HD23 LEU1005 2HD2 LEU1005 6.769 5.975 6.822 494 H SER1006 H SER1006 11.623 8.312 6.969 495 HA SER1006 HA SER1006 14.455 7.717 6.821 496 HB2 SER1006 2HB SER1006 13.780 9.965 6.298 497 HB3 SER1006 1HB SER1006 12.914 10.118 7.825 498 HG SER1006 HG SER1006 15.150 11.014 7.663 Start of MODEL 5 1 HA2 GLY 945 2HA GLY 945 -21.932 12.453 8.353 2 HA3 GLY 945 1HA GLY 945 -23.023 11.892 7.085 3 H ALA 946 H ALA 946 -22.244 9.905 5.873 4 HA ALA 946 HA ALA 946 -21.693 7.830 7.769 5 HB1 ALA 946 3HB ALA 946 -21.623 7.544 4.768 6 HB2 ALA 946 1HB ALA 946 -23.136 7.653 5.669 7 HB3 ALA 946 2HB ALA 946 -22.023 6.319 5.971 8 H MET 947 H MET 947 -19.868 6.623 8.071 9 HA MET 947 HA MET 947 -17.364 7.783 7.062 10 HB2 MET 947 2HB MET 947 -17.603 7.348 9.487 11 HB3 MET 947 1HB MET 947 -17.827 5.633 9.146 12 HG2 MET 947 2HG MET 947 -15.606 5.503 8.145 13 HG3 MET 947 1HG MET 947 -15.378 7.237 8.356 14 HE1 MET 947 3HE MET 947 -14.737 7.895 11.906 15 HE2 MET 947 1HE MET 947 -16.445 7.861 11.451 16 HE3 MET 947 2HE MET 947 -15.238 8.457 10.317 17 H ALA 948 H ALA 948 -17.767 6.973 4.881 18 HA ALA 948 HA ALA 948 -17.909 4.158 4.378 19 HB1 ALA 948 3HB ALA 948 -17.565 4.790 2.024 20 HB2 ALA 948 1HB ALA 948 -17.205 6.443 2.523 21 HB3 ALA 948 2HB ALA 948 -18.816 5.774 2.783 22 H ILE 949 H ILE 949 -15.291 6.563 3.996 23 HA ILE 949 HA ILE 949 -13.385 4.621 3.165 24 HB ILE 949 HB ILE 949 -11.723 6.474 3.624 25 HG12 ILE 949 2HG1 ILE 949 -14.244 8.062 4.199 26 HG13 ILE 949 1HG1 ILE 949 -13.098 7.564 5.437 27 HG21 ILE 949 1HG2 ILE 949 -12.778 6.140 1.430 28 HG22 ILE 949 2HG2 ILE 949 -12.596 7.864 1.764 29 HG23 ILE 949 3HG2 ILE 949 -14.173 7.092 1.943 30 HD11 ILE 949 3HD1 ILE 949 -11.308 8.816 4.338 31 HD12 ILE 949 1HD1 ILE 949 -12.674 9.882 4.658 32 HD13 ILE 949 2HD1 ILE 949 -12.401 9.264 3.029 33 H ALA 950 H ALA 950 -13.955 6.182 6.321 34 HA ALA 950 HA ALA 950 -13.302 5.575 8.436 35 HB1 ALA 950 3HB ALA 950 -13.169 3.238 8.940 36 HB2 ALA 950 1HB ALA 950 -12.817 2.837 7.260 37 HB3 ALA 950 2HB ALA 950 -14.412 3.440 7.704 38 H LEU 951 H LEU 951 -11.165 5.778 5.937 39 HA LEU 951 HA LEU 951 -8.830 4.661 7.204 40 HB2 LEU 951 2HB LEU 951 -9.370 6.217 4.713 41 HB3 LEU 951 1HB LEU 951 -7.735 6.300 5.360 42 HG LEU 951 HG LEU 951 -7.645 3.815 5.370 43 HD11 LEU 951 1HD1 LEU 951 -9.372 2.576 4.122 44 HD12 LEU 951 2HD1 LEU 951 -10.305 4.061 3.994 45 HD13 LEU 951 3HD1 LEU 951 -10.018 3.339 5.574 46 HD21 LEU 951 3HD2 LEU 951 -8.455 4.812 2.637 47 HD22 LEU 951 1HD2 LEU 951 -7.238 3.603 3.037 48 HD23 LEU 951 2HD2 LEU 951 -6.943 5.300 3.404 49 H ARG 952 H ARG 952 -7.219 5.655 8.289 50 HA ARG 952 HA ARG 952 -7.893 8.120 9.667 51 HB2 ARG 952 2HB ARG 952 -5.532 6.235 9.864 52 HB3 ARG 952 1HB ARG 952 -5.750 7.659 10.882 53 HG2 ARG 952 2HG ARG 952 -7.841 6.768 11.755 54 HG3 ARG 952 1HG ARG 952 -7.744 5.386 10.664 55 HD2 ARG 952 2HD ARG 952 -5.649 6.040 12.750 56 HD3 ARG 952 1HD ARG 952 -6.967 4.899 13.011 57 HE ARG 952 HE ARG 952 -5.932 3.846 10.819 58 HH11 ARG 952 1HH2 ARG 952 -4.317 5.212 13.572 59 HH12 ARG 952 2HH2 ARG 952 -2.894 4.246 13.381 60 HH21 ARG 952 1HH1 ARG 952 -4.070 2.580 10.581 61 HH22 ARG 952 2HH1 ARG 952 -2.755 2.755 11.694 62 H ASP 953 H ASP 953 -5.909 9.670 9.989 63 HA ASP 953 HA ASP 953 -5.365 10.863 7.479 64 HB2 ASP 953 2HB ASP 953 -3.827 12.332 8.744 65 HB3 ASP 953 1HB ASP 953 -5.402 12.190 9.523 66 H ASP 954 H ASP 954 -3.546 8.660 9.541 67 HA ASP 954 HA ASP 954 -1.115 8.803 8.024 68 HB2 ASP 954 2HB ASP 954 -1.297 8.026 10.420 69 HB3 ASP 954 1HB ASP 954 -2.044 6.549 9.813 70 H GLU 955 H GLU 955 -3.933 6.687 8.094 71 HA GLU 955 HA GLU 955 -3.029 4.794 6.184 72 HB2 GLU 955 2HB GLU 955 -5.806 5.632 7.040 73 HB3 GLU 955 1HB GLU 955 -5.464 4.259 5.985 74 HG2 GLU 955 2HG GLU 955 -4.270 4.593 8.745 75 HG3 GLU 955 1HG GLU 955 -5.722 3.651 8.423 76 H TYR 956 H TYR 956 -4.815 7.827 5.933 77 HA TYR 956 HA TYR 956 -5.560 7.686 3.230 78 HB2 TYR 956 2HB TYR 956 -6.469 9.396 4.681 79 HB3 TYR 956 1HB TYR 956 -4.863 10.060 4.974 80 HD1 TYR 956 HD2 TYR 956 -3.672 11.311 3.242 81 HD2 TYR 956 HD1 TYR 956 -7.626 9.781 2.560 82 HE1 TYR 956 HE2 TYR 956 -3.891 12.767 1.249 83 HE2 TYR 956 HE1 TYR 956 -7.844 11.239 0.567 84 HH TYR 956 HH TYR 956 -5.118 13.135 -0.628 85 H ASP 957 H ASP 957 -2.613 8.905 4.776 86 HA ASP 957 HA ASP 957 -1.337 9.834 2.434 87 HB2 ASP 957 2HB ASP 957 -0.571 10.420 4.697 88 HB3 ASP 957 1HB ASP 957 -0.104 8.744 4.977 89 H GLU 958 H GLU 958 -1.443 6.667 3.991 90 HA GLU 958 HA GLU 958 0.501 5.424 2.330 91 HB2 GLU 958 2HB GLU 958 -1.776 4.285 3.966 92 HB3 GLU 958 1HB GLU 958 -0.578 3.294 3.131 93 HG2 GLU 958 2HG GLU 958 1.227 4.333 4.403 94 HG3 GLU 958 1HG GLU 958 0.082 5.424 5.183 95 H TRP 959 H TRP 959 -3.034 5.745 2.104 96 HA TRP 959 HA TRP 959 -3.347 4.058 -0.146 97 HB2 TRP 959 2HB TRP 959 -5.302 4.594 1.099 98 HB3 TRP 959 1HB TRP 959 -5.004 6.321 0.973 99 HD1 TRP 959 HD TRP 959 -5.491 3.424 -1.554 100 HE1 TRP 959 HE1 TRP 959 -7.082 4.256 -3.405 101 HE3 TRP 959 HE3 TRP 959 -6.257 8.187 0.060 102 HZ2 TRP 959 HZ2 TRP 959 -8.500 6.649 -4.097 103 HZ3 TRP 959 HZ3 TRP 959 -7.726 9.728 -1.210 104 HH2 TRP 959 HH TRP 959 -8.850 8.968 -3.285 105 H GLN 960 H GLN 960 -2.764 7.564 0.151 106 HA GLN 960 HA GLN 960 -2.845 8.048 -2.645 107 HB2 GLN 960 2HB GLN 960 -1.520 9.545 -0.377 108 HB3 GLN 960 1HB GLN 960 -1.513 10.118 -2.045 109 HG2 GLN 960 2HG GLN 960 -4.038 9.449 -0.511 110 HG3 GLN 960 1HG GLN 960 -3.374 11.077 -0.642 111 HE21 GLN 960 1HE2 GLN 960 -5.560 8.957 -2.107 112 HE22 GLN 960 2HE2 GLN 960 -5.635 9.694 -3.635 113 H ASP 961 H ASP 961 -0.324 6.997 -0.448 114 HA ASP 961 HA ASP 961 1.855 7.339 -2.216 115 HB2 ASP 961 2HB ASP 961 1.953 6.859 0.301 116 HB3 ASP 961 1HB ASP 961 1.675 5.172 -0.126 117 H ILE 962 H ILE 962 -0.405 4.633 -1.699 118 HA ILE 962 HA ILE 962 1.010 2.874 -3.438 119 HB ILE 962 HB ILE 962 -0.897 2.395 -1.607 120 HG12 ILE 962 2HG1 ILE 962 -1.324 0.178 -2.991 121 HG13 ILE 962 1HG1 ILE 962 -0.112 0.854 -4.076 122 HG21 ILE 962 1HG2 ILE 962 -2.654 3.512 -3.015 123 HG22 ILE 962 2HG2 ILE 962 -3.033 1.854 -2.611 124 HG23 ILE 962 3HG2 ILE 962 -2.438 2.262 -4.215 125 HD11 ILE 962 3HD1 ILE 962 1.523 0.950 -2.284 126 HD12 ILE 962 1HD1 ILE 962 0.839 -0.672 -2.333 127 HD13 ILE 962 2HD1 ILE 962 0.309 0.470 -1.102 128 H ILE 963 H ILE 963 -1.565 5.229 -3.876 129 HA ILE 963 HA ILE 963 -2.282 4.561 -6.520 130 HB ILE 963 HB ILE 963 -2.276 7.193 -5.044 131 HG12 ILE 963 2HG1 ILE 963 -4.496 5.311 -5.852 132 HG13 ILE 963 1HG1 ILE 963 -3.756 5.346 -4.268 133 HG21 ILE 963 1HG2 ILE 963 -2.277 7.978 -7.243 134 HG22 ILE 963 2HG2 ILE 963 -4.001 7.713 -7.004 135 HG23 ILE 963 3HG2 ILE 963 -3.040 6.523 -7.879 136 HD11 ILE 963 3HD1 ILE 963 -4.792 7.305 -3.669 137 HD12 ILE 963 1HD1 ILE 963 -5.988 6.729 -4.820 138 HD13 ILE 963 2HD1 ILE 963 -4.808 7.941 -5.310 139 H ARG 964 H ARG 964 0.222 6.675 -5.196 140 HA ARG 964 HA ARG 964 1.254 7.658 -7.630 141 HB2 ARG 964 2HB ARG 964 1.844 8.524 -5.357 142 HB3 ARG 964 1HB ARG 964 2.759 7.050 -5.077 143 HG2 ARG 964 2HG ARG 964 4.298 8.775 -5.803 144 HG3 ARG 964 1HG ARG 964 4.159 7.575 -7.084 145 HD2 ARG 964 2HD ARG 964 2.270 9.894 -7.178 146 HD3 ARG 964 1HD ARG 964 3.953 10.202 -7.587 147 HE ARG 964 HE ARG 964 3.487 8.071 -9.115 148 HH11 ARG 964 1HH2 ARG 964 1.542 10.872 -8.487 149 HH12 ARG 964 2HH2 ARG 964 0.749 10.828 -10.024 150 HH21 ARG 964 1HH1 ARG 964 2.438 8.014 -11.125 151 HH22 ARG 964 2HH1 ARG 964 1.251 9.214 -11.513 152 H ASP 965 H ASP 965 1.980 4.782 -5.707 153 HA ASP 965 HA ASP 965 4.135 3.829 -7.240 154 HB2 ASP 965 2HB ASP 965 2.204 2.483 -5.381 155 HB3 ASP 965 1HB ASP 965 3.555 1.644 -6.119 156 H TRP 966 H TRP 966 0.631 3.134 -7.532 157 HA TRP 966 HA TRP 966 1.049 1.114 -9.530 158 HB2 TRP 966 2HB TRP 966 -1.467 2.682 -8.915 159 HB3 TRP 966 1HB TRP 966 -1.368 1.226 -9.900 160 HD1 TRP 966 HD TRP 966 -2.051 2.303 -6.511 161 HE1 TRP 966 HE1 TRP 966 -1.977 0.336 -4.867 162 HE3 TRP 966 HE3 TRP 966 0.247 -1.180 -9.445 163 HZ2 TRP 966 HZ2 TRP 966 -1.042 -2.379 -4.798 164 HZ3 TRP 966 HZ3 TRP 966 0.722 -3.448 -8.567 165 HH2 TRP 966 HH TRP 966 0.083 -4.051 -6.248 166 H ARG 967 H ARG 967 1.586 4.341 -9.678 167 HA ARG 967 HA ARG 967 1.800 5.869 -11.383 168 HB2 ARG 967 2HB ARG 967 1.900 3.288 -12.961 169 HB3 ARG 967 1HB ARG 967 2.280 4.872 -13.636 170 HG2 ARG 967 2HG ARG 967 4.091 5.176 -12.043 171 HG3 ARG 967 1HG ARG 967 3.662 3.678 -11.217 172 HD2 ARG 967 2HD ARG 967 4.151 2.404 -13.270 173 HD3 ARG 967 1HD ARG 967 4.575 3.897 -14.102 174 HE ARG 967 HE ARG 967 6.228 3.888 -11.927 175 HH11 ARG 967 1HH2 ARG 967 5.417 1.629 -14.407 176 HH12 ARG 967 2HH2 ARG 967 6.975 0.875 -14.440 177 HH21 ARG 967 1HH1 ARG 967 8.288 2.912 -11.950 178 HH22 ARG 967 2HH1 ARG 967 8.608 1.607 -13.042 179 H LYS 968 H LYS 968 -0.968 4.550 -10.706 180 HA LYS 968 HA LYS 968 -2.423 6.080 -12.715 181 HB2 LYS 968 2HB LYS 968 -3.902 4.280 -13.379 182 HB3 LYS 968 1HB LYS 968 -2.241 3.799 -13.711 183 HG2 LYS 968 2HG LYS 968 -2.205 2.550 -11.569 184 HG3 LYS 968 1HG LYS 968 -3.892 2.969 -11.305 185 HD2 LYS 968 2HD LYS 968 -4.502 1.834 -13.410 186 HD3 LYS 968 1HD LYS 968 -2.812 1.391 -13.659 187 HE2 LYS 968 2HE LYS 968 -2.845 0.136 -11.517 188 HE3 LYS 968 1HE LYS 968 -4.546 0.555 -11.315 189 HZ1 LYS 968 3HZ LYS 968 -4.991 -0.547 -13.453 190 HZ2 LYS 968 1HZ LYS 968 -4.376 -1.616 -12.286 191 HZ3 LYS 968 2HZ LYS 968 -3.365 -1.036 -13.524 192 H GLU 969 H GLU 969 -4.555 6.593 -12.091 193 HA GLU 969 HA GLU 969 -4.910 6.808 -9.239 194 HB2 GLU 969 2HB GLU 969 -5.556 8.567 -10.920 195 HB3 GLU 969 1HB GLU 969 -6.865 7.506 -11.436 196 HG2 GLU 969 2HG GLU 969 -7.817 9.009 -9.839 197 HG3 GLU 969 1HG GLU 969 -7.635 7.466 -9.010 198 H MET 970 H MET 970 -6.141 5.592 -7.928 199 HA MET 970 HA MET 970 -8.150 3.761 -9.078 200 HB2 MET 970 2HB MET 970 -7.360 2.023 -7.372 201 HB3 MET 970 1HB MET 970 -6.336 2.254 -8.788 202 HG2 MET 970 2HG MET 970 -4.871 3.740 -7.510 203 HG3 MET 970 1HG MET 970 -5.914 3.563 -6.098 204 HE1 MET 970 3HE MET 970 -4.911 2.491 -4.318 205 HE2 MET 970 1HE MET 970 -4.462 0.783 -4.265 206 HE3 MET 970 2HE MET 970 -6.114 1.247 -4.653 207 H THR 971 H THR 971 -8.959 2.553 -6.730 208 HA THR 971 HA THR 971 -9.939 4.873 -5.147 209 HB THR 971 HB THR 971 -11.960 3.542 -4.755 210 HG1 THR 971 HG1 THR 971 -10.445 1.666 -6.173 211 HG21 THR 971 3HG2 THR 971 -11.052 4.059 -7.580 212 HG22 THR 971 1HG2 THR 971 -12.244 4.935 -6.615 213 HG23 THR 971 2HG2 THR 971 -12.633 3.345 -7.273 214 H VAL 972 H VAL 972 -10.608 4.363 -2.956 215 HA VAL 972 HA VAL 972 -8.535 3.191 -1.420 216 HB VAL 972 HB VAL 972 -11.343 4.130 -0.810 217 HG11 VAL 972 1HG1 VAL 972 -9.421 2.621 0.943 218 HG12 VAL 972 2HG1 VAL 972 -11.176 2.517 0.879 219 HG13 VAL 972 3HG1 VAL 972 -10.402 3.896 1.663 220 HG21 VAL 972 3HG2 VAL 972 -9.661 5.848 -1.261 221 HG22 VAL 972 1HG2 VAL 972 -8.563 5.120 -0.089 222 HG23 VAL 972 2HG2 VAL 972 -10.067 5.866 0.455 223 H GLN 973 H GLN 973 -11.771 2.097 -2.372 224 HA GLN 973 HA GLN 973 -12.041 -0.189 -0.882 225 HB2 GLN 973 2HB GLN 973 -12.818 0.413 -3.730 226 HB3 GLN 973 1HB GLN 973 -13.338 -1.041 -2.891 227 HG2 GLN 973 2HG GLN 973 -14.397 0.332 -1.143 228 HG3 GLN 973 1HG GLN 973 -13.824 1.794 -1.943 229 HE21 GLN 973 1HE2 GLN 973 -16.465 1.886 -1.735 230 HE22 GLN 973 2HE2 GLN 973 -17.262 1.423 -3.159 231 H GLN 974 H GLN 974 -10.431 0.115 -4.035 232 HA GLN 974 HA GLN 974 -9.647 -2.569 -4.336 233 HB2 GLN 974 2HB GLN 974 -8.579 0.057 -5.353 234 HB3 GLN 974 1HB GLN 974 -7.726 -1.443 -5.710 235 HG2 GLN 974 2HG GLN 974 -9.468 -0.622 -7.428 236 HG3 GLN 974 1HG GLN 974 -9.536 -2.314 -6.955 237 HE21 GLN 974 1HE2 GLN 974 -11.486 0.347 -7.468 238 HE22 GLN 974 2HE2 GLN 974 -12.795 -0.082 -6.477 239 H PHE 975 H PHE 975 -7.979 0.173 -2.838 240 HA PHE 975 HA PHE 975 -5.609 -1.169 -2.085 241 HB2 PHE 975 2HB PHE 975 -5.550 1.176 -2.094 242 HB3 PHE 975 1HB PHE 975 -7.038 1.313 -1.165 243 HD1 PHE 975 HD1 PHE 975 -3.451 0.270 -0.929 244 HD2 PHE 975 HD2 PHE 975 -7.001 1.419 1.202 245 HE1 PHE 975 HE1 PHE 975 -2.139 0.450 1.172 246 HE2 PHE 975 HE2 PHE 975 -5.692 1.594 3.296 247 HZ PHE 975 HZ PHE 975 -3.263 1.113 3.282 248 H LEU 976 H LEU 976 -8.576 -0.496 -0.267 249 HA LEU 976 HA LEU 976 -7.851 -1.683 2.168 250 HB2 LEU 976 2HB LEU 976 -9.714 -0.172 2.040 251 HB3 LEU 976 1HB LEU 976 -10.521 -1.160 0.836 252 HG LEU 976 HG LEU 976 -10.881 -2.918 2.475 253 HD11 LEU 976 1HD1 LEU 976 -9.174 -1.124 4.191 254 HD12 LEU 976 2HD1 LEU 976 -9.012 -2.854 3.889 255 HD13 LEU 976 3HD1 LEU 976 -10.308 -2.260 4.924 256 HD21 LEU 976 3HD2 LEU 976 -12.432 -0.929 2.288 257 HD22 LEU 976 1HD2 LEU 976 -11.624 -0.259 3.707 258 HD23 LEU 976 2HD2 LEU 976 -12.499 -1.782 3.826 259 H ASP 977 H ASP 977 -9.591 -2.985 -0.626 260 HA ASP 977 HA ASP 977 -10.051 -5.570 0.448 261 HB2 ASP 977 2HB ASP 977 -11.199 -4.565 -1.554 262 HB3 ASP 977 1HB ASP 977 -9.711 -4.822 -2.460 263 H LEU 978 H LEU 978 -7.432 -4.130 -1.411 264 HA LEU 978 HA LEU 978 -5.999 -6.503 -1.948 265 HB2 LEU 978 2HB LEU 978 -5.614 -4.533 -3.253 266 HB3 LEU 978 1HB LEU 978 -5.169 -3.602 -1.827 267 HG LEU 978 HG LEU 978 -3.160 -4.966 -1.516 268 HD11 LEU 978 1HD1 LEU 978 -2.620 -6.605 -3.440 269 HD12 LEU 978 2HD1 LEU 978 -4.345 -6.551 -3.800 270 HD13 LEU 978 3HD1 LEU 978 -3.785 -7.138 -2.233 271 HD21 LEU 978 3HD2 LEU 978 -2.743 -3.118 -2.929 272 HD22 LEU 978 1HD2 LEU 978 -3.652 -3.817 -4.269 273 HD23 LEU 978 2HD2 LEU 978 -2.081 -4.482 -3.826 274 H LYS 979 H LYS 979 -5.597 -4.052 0.624 275 HA LYS 979 HA LYS 979 -3.389 -5.413 1.808 276 HB2 LYS 979 2HB LYS 979 -3.351 -3.639 3.301 277 HB3 LYS 979 1HB LYS 979 -4.210 -2.902 1.953 278 HG2 LYS 979 2HG LYS 979 -6.365 -3.498 3.075 279 HG3 LYS 979 1HG LYS 979 -5.434 -4.051 4.461 280 HD2 LYS 979 2HD LYS 979 -4.315 -1.720 4.414 281 HD3 LYS 979 1HD LYS 979 -5.646 -1.262 3.348 282 HE2 LYS 979 2HE LYS 979 -7.247 -2.035 5.104 283 HE3 LYS 979 1HE LYS 979 -5.887 -2.346 6.169 284 HZ1 LYS 979 3HZ LYS 979 -5.282 -0.048 6.091 285 HZ2 LYS 979 1HZ LYS 979 -6.919 -0.155 6.524 286 HZ3 LYS 979 2HZ LYS 979 -6.486 0.289 4.941 287 H GLU 980 H GLU 980 -6.880 -5.374 2.396 288 HA GLU 980 HA GLU 980 -6.906 -6.848 4.786 289 HB2 GLU 980 2HB GLU 980 -8.877 -5.716 3.662 290 HB3 GLU 980 1HB GLU 980 -8.935 -7.083 2.550 291 HG2 GLU 980 2HG GLU 980 -10.478 -7.607 4.296 292 HG3 GLU 980 1HG GLU 980 -9.045 -8.582 4.618 293 H ARG 981 H ARG 981 -7.110 -7.952 1.404 294 HA ARG 981 HA ARG 981 -7.121 -10.718 2.007 295 HB2 ARG 981 2HB ARG 981 -6.390 -9.176 -0.484 296 HB3 ARG 981 1HB ARG 981 -6.400 -10.938 -0.419 297 HG2 ARG 981 2HG ARG 981 -8.759 -10.924 0.249 298 HG3 ARG 981 1HG ARG 981 -8.764 -9.160 0.246 299 HD2 ARG 981 2HD ARG 981 -8.269 -9.128 -2.145 300 HD3 ARG 981 1HD ARG 981 -8.153 -10.885 -2.170 301 HE ARG 981 HE ARG 981 -10.695 -9.977 -1.182 302 HH11 ARG 981 1HH2 ARG 981 -8.771 -10.547 -4.000 303 HH12 ARG 981 2HH2 ARG 981 -10.129 -10.827 -5.040 304 HH21 ARG 981 1HH1 ARG 981 -12.483 -10.344 -2.540 305 HH22 ARG 981 2HH1 ARG 981 -12.227 -10.704 -4.216 306 H ALA 982 H ALA 982 -4.472 -8.487 1.173 307 HA ALA 982 HA ALA 982 -2.436 -10.442 1.089 308 HB1 ALA 982 3HB ALA 982 -1.856 -7.641 1.990 309 HB2 ALA 982 1HB ALA 982 -2.448 -7.911 0.356 310 HB3 ALA 982 2HB ALA 982 -0.951 -8.662 0.886 311 H LEU 983 H LEU 983 -3.646 -8.424 3.721 312 HA LEU 983 HA LEU 983 -1.753 -9.291 5.657 313 HB2 LEU 983 2HB LEU 983 -4.352 -7.789 5.721 314 HB3 LEU 983 1HB LEU 983 -3.751 -8.463 7.228 315 HG LEU 983 HG LEU 983 -1.574 -7.299 6.820 316 HD11 LEU 983 1HD1 LEU 983 -2.226 -7.029 4.256 317 HD12 LEU 983 2HD1 LEU 983 -1.205 -5.892 5.070 318 HD13 LEU 983 3HD1 LEU 983 -2.901 -5.510 4.826 319 HD21 LEU 983 3HD2 LEU 983 -3.258 -6.348 8.312 320 HD22 LEU 983 1HD2 LEU 983 -4.064 -5.578 6.944 321 HD23 LEU 983 2HD2 LEU 983 -2.449 -5.057 7.424 322 H SER 984 H SER 984 -4.711 -10.494 4.387 323 HA SER 984 HA SER 984 -5.238 -12.366 6.518 324 HB2 SER 984 2HB SER 984 -7.058 -11.487 5.118 325 HB3 SER 984 1HB SER 984 -6.345 -12.254 3.702 326 HG SER 984 HG SER 984 -7.034 -13.668 6.060 327 H GLY 985 H GLY 985 -2.846 -12.283 4.260 328 HA2 GLY 985 2HA GLY 985 -1.205 -13.962 4.017 329 HA3 GLY 985 1HA GLY 985 -2.383 -15.172 4.508 330 H ALA 986 H ALA 986 -3.346 -12.864 2.097 331 HA ALA 986 HA ALA 986 -3.881 -14.895 0.177 332 HB1 ALA 986 3HB ALA 986 -3.621 -11.921 -0.284 333 HB2 ALA 986 1HB ALA 986 -5.078 -12.738 0.240 334 HB3 ALA 986 2HB ALA 986 -4.417 -13.080 -1.345 335 H SER 987 H SER 987 -2.813 -15.456 -1.690 336 HA SER 987 HA SER 987 0.025 -14.621 -1.828 337 HB2 SER 987 2HB SER 987 0.407 -16.745 -2.996 338 HB3 SER 987 1HB SER 987 -0.358 -17.027 -1.434 339 HG SER 987 HG SER 987 -1.939 -17.911 -2.479 340 H ASP 988 H ASP 988 -2.847 -13.884 -3.238 341 HA ASP 988 HA ASP 988 -2.574 -14.056 -5.971 342 HB2 ASP 988 2HB ASP 988 -3.638 -11.864 -4.192 343 HB3 ASP 988 1HB ASP 988 -3.624 -11.656 -5.942 344 HA PRO 989 HA PRO 989 1.203 -12.035 -6.993 345 HB2 PRO 989 2HB PRO 989 0.458 -10.520 -9.232 346 HB3 PRO 989 1HB PRO 989 0.878 -12.243 -9.263 347 HG2 PRO 989 2HG PRO 989 -1.814 -10.958 -9.187 348 HG3 PRO 989 1HG PRO 989 -1.269 -12.383 -10.094 349 HD2 PRO 989 2HD PRO 989 -2.730 -12.646 -7.849 350 HD3 PRO 989 1HD PRO 989 -1.425 -13.794 -8.230 351 H ASP 990 H ASP 990 -1.649 -9.927 -7.086 352 HA ASP 990 HA ASP 990 -0.250 -7.495 -6.591 353 HB2 ASP 990 2HB ASP 990 -3.112 -8.397 -6.440 354 HB3 ASP 990 1HB ASP 990 -2.670 -6.842 -5.751 355 H SER 991 H SER 991 -1.703 -9.971 -4.543 356 HA SER 991 HA SER 991 -1.602 -8.564 -2.096 357 HB2 SER 991 2HB SER 991 -1.586 -11.517 -2.710 358 HB3 SER 991 1HB SER 991 -1.697 -10.862 -1.080 359 HG SER 991 HG SER 991 -3.711 -10.402 -1.447 360 H GLN 992 H GLN 992 0.685 -11.024 -3.386 361 HA GLN 992 HA GLN 992 2.488 -10.732 -1.215 362 HB2 GLN 992 2HB GLN 992 4.137 -11.883 -2.712 363 HB3 GLN 992 1HB GLN 992 2.611 -12.739 -2.516 364 HG2 GLN 992 2HG GLN 992 1.823 -11.899 -4.655 365 HG3 GLN 992 1HG GLN 992 3.268 -10.931 -4.844 366 HE21 GLN 992 1HE2 GLN 992 4.283 -11.994 -6.614 367 HE22 GLN 992 2HE2 GLN 992 4.702 -13.639 -6.593 368 H ARG 993 H ARG 993 2.274 -9.170 -4.384 369 HA ARG 993 HA ARG 993 4.718 -7.746 -4.216 370 HB2 ARG 993 2HB ARG 993 2.137 -7.250 -5.704 371 HB3 ARG 993 1HB ARG 993 3.518 -6.158 -5.836 372 HG2 ARG 993 2HG ARG 993 4.935 -7.990 -6.617 373 HG3 ARG 993 1HG ARG 993 3.616 -9.137 -6.404 374 HD2 ARG 993 2HD ARG 993 2.286 -7.963 -8.094 375 HD3 ARG 993 1HD ARG 993 3.549 -6.747 -8.266 376 HE ARG 993 HE ARG 993 4.842 -9.094 -8.798 377 HH11 ARG 993 1HH2 ARG 993 1.932 -7.597 -9.920 378 HH12 ARG 993 2HH2 ARG 993 2.050 -8.244 -11.523 379 HH21 ARG 993 1HH1 ARG 993 5.004 -9.953 -10.891 380 HH22 ARG 993 2HH1 ARG 993 3.796 -9.580 -12.074 381 H TYR 994 H TYR 994 1.435 -7.053 -3.122 382 HA TYR 994 HA TYR 994 1.822 -4.401 -2.261 383 HB2 TYR 994 2HB TYR 994 -0.397 -5.359 -2.485 384 HB3 TYR 994 1HB TYR 994 -0.048 -6.545 -1.232 385 HD1 TYR 994 HD1 TYR 994 -0.207 -2.864 -1.853 386 HD2 TYR 994 HD2 TYR 994 -0.465 -6.025 1.036 387 HE1 TYR 994 HE1 TYR 994 -0.946 -1.236 -0.136 388 HE2 TYR 994 HE2 TYR 994 -1.204 -4.398 2.756 389 HH TYR 994 HH TYR 994 -0.754 -1.355 2.713 390 H ASN 995 H ASN 995 2.168 -7.510 -0.542 391 HA ASN 995 HA ASN 995 2.830 -6.432 1.972 392 HB2 ASN 995 2HB ASN 995 3.636 -9.034 0.650 393 HB3 ASN 995 1HB ASN 995 4.006 -8.636 2.326 394 HD21 ASN 995 1HD2 ASN 995 2.281 -10.839 1.590 395 HD22 ASN 995 2HD2 ASN 995 0.720 -10.481 2.153 396 H ALA 996 H ALA 996 4.813 -7.244 -0.860 397 HA ALA 996 HA ALA 996 7.316 -6.645 0.318 398 HB1 ALA 996 3HB ALA 996 6.575 -6.229 -2.562 399 HB2 ALA 996 1HB ALA 996 6.984 -7.807 -1.901 400 HB3 ALA 996 2HB ALA 996 8.177 -6.503 -1.911 401 H TRP 997 H TRP 997 4.953 -4.671 -1.472 402 HA TRP 997 HA TRP 997 6.457 -2.349 -1.625 403 HB2 TRP 997 2HB TRP 997 4.338 -2.430 -2.780 404 HB3 TRP 997 1HB TRP 997 3.465 -2.660 -1.266 405 HD1 TRP 997 HD TRP 997 5.712 -0.032 -2.981 406 HE1 TRP 997 HE1 TRP 997 5.029 2.298 -2.120 407 HE3 TRP 997 HE3 TRP 997 2.192 -1.361 0.461 408 HZ2 TRP 997 HZ2 TRP 997 3.231 3.446 -0.220 409 HZ3 TRP 997 HZ3 TRP 997 1.009 0.368 1.786 410 HH2 TRP 997 HH TRP 997 1.523 2.772 1.448 411 H LEU 998 H LEU 998 4.479 -3.609 1.048 412 HA LEU 998 HA LEU 998 4.798 -1.367 2.746 413 HB2 LEU 998 2HB LEU 998 4.247 -4.290 3.265 414 HB3 LEU 998 1HB LEU 998 4.514 -3.183 4.607 415 HG LEU 998 HG LEU 998 2.510 -2.489 2.463 416 HD11 LEU 998 1HD1 LEU 998 1.738 -4.653 3.084 417 HD12 LEU 998 2HD1 LEU 998 0.789 -3.528 4.055 418 HD13 LEU 998 3HD1 LEU 998 2.142 -4.392 4.781 419 HD21 LEU 998 3HD2 LEU 998 3.373 -0.968 4.473 420 HD22 LEU 998 1HD2 LEU 998 2.235 -1.928 5.412 421 HD23 LEU 998 2HD2 LEU 998 1.670 -0.979 4.038 422 H GLU 999 H GLU 999 6.741 -4.248 2.106 423 HA GLU 999 HA GLU 999 8.695 -3.801 4.109 424 HB2 GLU 999 2HB GLU 999 8.415 -5.917 2.762 425 HB3 GLU 999 1HB GLU 999 9.161 -5.087 1.394 426 HG2 GLU 999 2HG GLU 999 10.932 -6.254 2.497 427 HG3 GLU 999 1HG GLU 999 11.113 -4.564 2.961 428 H LEU1000 H LEU1000 8.397 -2.704 0.745 429 HA LEU1000 HA LEU1000 10.892 -1.404 0.540 430 HB2 LEU1000 2HB LEU1000 8.297 -0.768 -0.892 431 HB3 LEU1000 1HB LEU1000 9.890 -0.182 -1.355 432 HG LEU1000 HG LEU1000 9.028 -3.088 -1.280 433 HD11 LEU1000 1HD1 LEU1000 9.801 -1.456 -3.696 434 HD12 LEU1000 2HD1 LEU1000 8.134 -1.528 -3.125 435 HD13 LEU1000 3HD1 LEU1000 8.952 -3.000 -3.646 436 HD21 LEU1000 3HD2 LEU1000 11.667 -1.742 -1.815 437 HD22 LEU1000 1HD2 LEU1000 11.280 -3.268 -2.606 438 HD23 LEU1000 2HD2 LEU1000 11.330 -3.180 -0.850 439 H ARG1001 H ARG1001 7.685 -0.163 1.557 440 HA ARG1001 HA ARG1001 8.705 2.502 1.855 441 HB2 ARG1001 2HB ARG1001 6.602 3.146 2.534 442 HB3 ARG1001 1HB ARG1001 6.216 1.750 1.543 443 HG2 ARG1001 2HG ARG1001 6.126 0.382 3.642 444 HG3 ARG1001 1HG ARG1001 6.372 1.856 4.572 445 HD2 ARG1001 2HD ARG1001 4.336 2.805 3.368 446 HD3 ARG1001 1HD ARG1001 4.037 1.169 2.783 447 HE ARG1001 HE ARG1001 4.389 1.101 5.589 448 HH11 ARG1001 1HH2 ARG1001 2.189 2.132 3.124 449 HH12 ARG1001 2HH2 ARG1001 0.794 2.065 4.147 450 HH21 ARG1001 1HH1 ARG1001 2.567 1.022 6.940 451 HH22 ARG1001 2HH1 ARG1001 1.008 1.438 6.310 452 H ALA1002 H ALA1002 8.366 -0.282 3.902 453 HA ALA1002 HA ALA1002 8.789 0.921 6.406 454 HB1 ALA1002 3HB ALA1002 8.067 -1.302 6.522 455 HB2 ALA1002 1HB ALA1002 9.775 -1.447 6.939 456 HB3 ALA1002 2HB ALA1002 9.225 -1.844 5.310 457 H LYS1003 H LYS1003 11.065 -0.280 3.950 458 HA LYS1003 HA LYS1003 13.363 0.333 5.621 459 HB2 LYS1003 2HB LYS1003 14.737 -0.387 3.800 460 HB3 LYS1003 1HB LYS1003 13.383 -1.504 3.904 461 HG2 LYS1003 2HG LYS1003 12.275 -0.418 2.069 462 HG3 LYS1003 1HG LYS1003 13.505 0.832 1.975 463 HD2 LYS1003 2HD LYS1003 15.190 -1.027 1.580 464 HD3 LYS1003 1HD LYS1003 13.818 -2.121 1.407 465 HE2 LYS1003 2HE LYS1003 12.930 -0.452 -0.345 466 HE3 LYS1003 1HE LYS1003 14.549 0.244 -0.323 467 HZ1 LYS1003 3HZ LYS1003 15.475 -1.634 -1.208 468 HZ2 LYS1003 1HZ LYS1003 13.966 -1.645 -1.981 469 HZ3 LYS1003 2HZ LYS1003 14.240 -2.659 -0.646 470 H ARG1004 H ARG1004 11.515 1.913 3.112 471 HA ARG1004 HA ARG1004 13.421 4.121 2.881 472 HB2 ARG1004 2HB ARG1004 12.372 3.517 0.838 473 HB3 ARG1004 1HB ARG1004 10.783 3.457 1.582 474 HG2 ARG1004 2HG ARG1004 11.033 5.472 0.202 475 HG3 ARG1004 1HG ARG1004 10.835 5.918 1.890 476 HD2 ARG1004 2HD ARG1004 13.203 6.322 2.132 477 HD3 ARG1004 1HD ARG1004 13.536 5.629 0.546 478 HE ARG1004 HE ARG1004 11.796 7.692 0.040 479 HH11 ARG1004 1HH2 ARG1004 14.828 7.325 1.669 480 HH12 ARG1004 2HH2 ARG1004 15.372 8.929 1.311 481 HH21 ARG1004 1HH1 ARG1004 12.492 9.799 -0.419 482 HH22 ARG1004 2HH1 ARG1004 14.047 10.334 0.126 483 H LEU1005 H LEU1005 13.481 5.461 4.569 484 HA LEU1005 HA LEU1005 10.991 6.177 5.984 485 HB2 LEU1005 2HB LEU1005 13.920 6.300 6.676 486 HB3 LEU1005 1HB LEU1005 12.764 7.307 7.544 487 HG LEU1005 HG LEU1005 11.463 5.307 8.153 488 HD11 LEU1005 1HD1 LEU1005 12.699 3.063 7.721 489 HD12 LEU1005 2HD1 LEU1005 13.556 3.943 6.457 490 HD13 LEU1005 3HD1 LEU1005 11.803 3.781 6.384 491 HD21 LEU1005 3HD2 LEU1005 13.440 6.144 9.520 492 HD22 LEU1005 1HD2 LEU1005 14.392 4.857 8.783 493 HD23 LEU1005 2HD2 LEU1005 13.001 4.459 9.793 494 H SER1006 H SER1006 10.176 8.203 5.970 495 HA SER1006 HA SER1006 9.758 10.314 5.152 496 HB2 SER1006 2HB SER1006 11.628 11.898 5.441 497 HB3 SER1006 1HB SER1006 11.457 10.833 6.832 498 HG SER1006 HG SER1006 13.199 9.678 6.160 Start of MODEL 6 1 HA2 GLY 945 2HA GLY 945 -8.461 17.114 13.885 2 HA3 GLY 945 1HA GLY 945 -8.064 15.523 13.232 3 H ALA 946 H ALA 946 -10.261 14.641 12.043 4 HA ALA 946 HA ALA 946 -11.722 16.545 10.513 5 HB1 ALA 946 3HB ALA 946 -9.359 15.207 9.176 6 HB2 ALA 946 1HB ALA 946 -9.615 16.938 9.388 7 HB3 ALA 946 2HB ALA 946 -10.659 16.018 8.306 8 H MET 947 H MET 947 -13.569 15.418 10.538 9 HA MET 947 HA MET 947 -13.575 12.512 10.262 10 HB2 MET 947 2HB MET 947 -15.026 13.730 11.909 11 HB3 MET 947 1HB MET 947 -15.914 14.411 10.546 12 HG2 MET 947 2HG MET 947 -17.146 12.480 11.247 13 HG3 MET 947 1HG MET 947 -16.315 12.018 9.767 14 HE1 MET 947 3HE MET 947 -16.708 11.794 13.456 15 HE2 MET 947 1HE MET 947 -16.019 10.215 13.858 16 HE3 MET 947 2HE MET 947 -17.387 10.326 12.757 17 H ALA 948 H ALA 948 -12.652 12.759 8.037 18 HA ALA 948 HA ALA 948 -14.628 13.500 5.978 19 HB1 ALA 948 3HB ALA 948 -12.835 13.651 4.470 20 HB2 ALA 948 1HB ALA 948 -11.792 12.629 5.458 21 HB3 ALA 948 2HB ALA 948 -12.158 14.273 5.975 22 H ILE 949 H ILE 949 -12.332 10.832 6.625 23 HA ILE 949 HA ILE 949 -14.350 8.916 5.628 24 HB ILE 949 HB ILE 949 -11.458 8.701 4.772 25 HG12 ILE 949 2HG1 ILE 949 -13.700 10.068 3.253 26 HG13 ILE 949 1HG1 ILE 949 -12.319 10.886 3.976 27 HG21 ILE 949 1HG2 ILE 949 -13.988 7.715 3.432 28 HG22 ILE 949 2HG2 ILE 949 -13.109 6.756 4.621 29 HG23 ILE 949 3HG2 ILE 949 -12.330 7.213 3.110 30 HD11 ILE 949 3HD1 ILE 949 -10.865 9.291 2.561 31 HD12 ILE 949 1HD1 ILE 949 -11.695 10.595 1.715 32 HD13 ILE 949 2HD1 ILE 949 -12.345 8.957 1.661 33 H ALA 950 H ALA 950 -13.967 6.750 6.276 34 HA ALA 950 HA ALA 950 -13.240 6.426 8.954 35 HB1 ALA 950 3HB ALA 950 -13.154 3.927 8.262 36 HB2 ALA 950 1HB ALA 950 -13.634 4.513 6.667 37 HB3 ALA 950 2HB ALA 950 -14.678 4.791 8.059 38 H LEU 951 H LEU 951 -11.290 6.788 6.223 39 HA LEU 951 HA LEU 951 -9.047 5.214 7.155 40 HB2 LEU 951 2HB LEU 951 -9.567 7.074 4.853 41 HB3 LEU 951 1HB LEU 951 -7.900 6.679 5.264 42 HG LEU 951 HG LEU 951 -8.463 4.266 5.105 43 HD11 LEU 951 1HD1 LEU 951 -10.830 4.313 5.582 44 HD12 LEU 951 2HD1 LEU 951 -10.630 3.713 3.937 45 HD13 LEU 951 3HD1 LEU 951 -11.131 5.381 4.212 46 HD21 LEU 951 3HD2 LEU 951 -9.218 5.837 2.629 47 HD22 LEU 951 1HD2 LEU 951 -8.510 4.224 2.684 48 HD23 LEU 951 2HD2 LEU 951 -7.561 5.617 3.188 49 H ARG 952 H ARG 952 -7.343 5.870 8.317 50 HA ARG 952 HA ARG 952 -7.516 8.331 9.781 51 HB2 ARG 952 2HB ARG 952 -5.326 6.246 9.622 52 HB3 ARG 952 1HB ARG 952 -5.361 7.588 10.768 53 HG2 ARG 952 2HG ARG 952 -7.455 6.770 11.722 54 HG3 ARG 952 1HG ARG 952 -7.520 5.475 10.526 55 HD2 ARG 952 2HD ARG 952 -6.651 4.567 12.601 56 HD3 ARG 952 1HD ARG 952 -5.354 4.606 11.409 57 HE ARG 952 HE ARG 952 -4.282 6.253 12.681 58 HH11 ARG 952 1HH2 ARG 952 -7.516 5.684 13.758 59 HH12 ARG 952 2HH2 ARG 952 -7.333 6.572 15.235 60 HH21 ARG 952 1HH1 ARG 952 -4.018 7.404 14.626 61 HH22 ARG 952 2HH1 ARG 952 -5.349 7.551 15.726 62 H ASP 953 H ASP 953 -5.538 9.781 9.932 63 HA ASP 953 HA ASP 953 -5.081 10.981 7.426 64 HB2 ASP 953 2HB ASP 953 -3.311 12.281 8.633 65 HB3 ASP 953 1HB ASP 953 -4.887 12.306 9.423 66 H ASP 954 H ASP 954 -3.216 8.659 9.320 67 HA ASP 954 HA ASP 954 -0.914 8.713 7.623 68 HB2 ASP 954 2HB ASP 954 -0.802 7.893 9.955 69 HB3 ASP 954 1HB ASP 954 -1.861 6.551 9.523 70 H GLU 955 H GLU 955 -3.843 6.769 7.841 71 HA GLU 955 HA GLU 955 -3.170 4.826 5.888 72 HB2 GLU 955 2HB GLU 955 -5.830 5.819 6.927 73 HB3 GLU 955 1HB GLU 955 -5.659 4.464 5.813 74 HG2 GLU 955 2HG GLU 955 -4.176 4.581 8.442 75 HG3 GLU 955 1HG GLU 955 -5.783 3.870 8.294 76 H TYR 956 H TYR 956 -4.852 7.932 5.716 77 HA TYR 956 HA TYR 956 -5.720 7.772 3.051 78 HB2 TYR 956 2HB TYR 956 -6.509 9.508 4.593 79 HB3 TYR 956 1HB TYR 956 -4.891 10.209 4.648 80 HD1 TYR 956 HD1 TYR 956 -7.885 9.663 2.569 81 HD2 TYR 956 HD2 TYR 956 -3.978 11.443 2.746 82 HE1 TYR 956 HE1 TYR 956 -8.386 10.970 0.522 83 HE2 TYR 956 HE2 TYR 956 -4.476 12.742 0.692 84 HH TYR 956 HH TYR 956 -6.674 13.592 -0.461 85 H ASP 957 H ASP 957 -2.695 8.935 4.467 86 HA ASP 957 HA ASP 957 -1.499 9.813 2.060 87 HB2 ASP 957 2HB ASP 957 -0.689 10.354 4.381 88 HB3 ASP 957 1HB ASP 957 -0.073 8.706 4.487 89 H GLU 958 H GLU 958 -1.676 6.682 3.665 90 HA GLU 958 HA GLU 958 0.213 5.354 2.010 91 HB2 GLU 958 2HB GLU 958 -2.054 4.335 3.722 92 HB3 GLU 958 1HB GLU 958 -0.989 3.262 2.813 93 HG2 GLU 958 2HG GLU 958 0.966 4.171 3.974 94 HG3 GLU 958 1HG GLU 958 -0.057 5.307 4.846 95 H TRP 959 H TRP 959 -3.260 5.939 1.754 96 HA TRP 959 HA TRP 959 -3.694 4.194 -0.455 97 HB2 TRP 959 2HB TRP 959 -5.586 4.860 0.861 98 HB3 TRP 959 1HB TRP 959 -5.224 6.565 0.633 99 HD1 TRP 959 HD TRP 959 -5.844 3.565 -1.757 100 HE1 TRP 959 HE1 TRP 959 -7.459 4.367 -3.602 101 HE3 TRP 959 HE3 TRP 959 -6.506 8.393 -0.282 102 HZ2 TRP 959 HZ2 TRP 959 -8.859 6.753 -4.341 103 HZ3 TRP 959 HZ3 TRP 959 -7.975 9.918 -1.576 104 HH2 TRP 959 HH TRP 959 -9.154 9.104 -3.599 105 H GLN 960 H GLN 960 -3.088 7.719 -0.236 106 HA GLN 960 HA GLN 960 -3.114 8.123 -3.054 107 HB2 GLN 960 2HB GLN 960 -1.821 9.700 -0.821 108 HB3 GLN 960 1HB GLN 960 -1.839 10.221 -2.507 109 HG2 GLN 960 2HG GLN 960 -4.338 9.554 -0.939 110 HG3 GLN 960 1HG GLN 960 -3.697 11.189 -1.098 111 HE21 GLN 960 1HE2 GLN 960 -5.854 9.013 -2.514 112 HE22 GLN 960 2HE2 GLN 960 -5.969 9.731 -4.044 113 H ASP 961 H ASP 961 -0.588 7.351 -0.740 114 HA ASP 961 HA ASP 961 1.608 7.598 -2.502 115 HB2 ASP 961 2HB ASP 961 1.219 6.043 0.049 116 HB3 ASP 961 1HB ASP 961 2.750 6.077 -0.822 117 H ILE 962 H ILE 962 -0.578 4.886 -1.804 118 HA ILE 962 HA ILE 962 1.017 2.984 -3.194 119 HB ILE 962 HB ILE 962 -1.117 2.697 -1.550 120 HG12 ILE 962 2HG1 ILE 962 -0.192 0.829 -3.753 121 HG13 ILE 962 1HG1 ILE 962 0.388 0.886 -2.094 122 HG21 ILE 962 1HG2 ILE 962 -2.645 3.596 -3.364 123 HG22 ILE 962 2HG2 ILE 962 -3.108 2.030 -2.735 124 HG23 ILE 962 3HG2 ILE 962 -2.291 2.162 -4.290 125 HD11 ILE 962 3HD1 ILE 962 -2.262 -0.120 -3.115 126 HD12 ILE 962 1HD1 ILE 962 -2.073 0.390 -1.437 127 HD13 ILE 962 2HD1 ILE 962 -1.097 -0.932 -2.070 128 H ILE 963 H ILE 963 -1.562 5.204 -4.101 129 HA ILE 963 HA ILE 963 -1.954 4.302 -6.754 130 HB ILE 963 HB ILE 963 -2.202 7.055 -5.531 131 HG12 ILE 963 2HG1 ILE 963 -4.285 5.021 -6.321 132 HG13 ILE 963 1HG1 ILE 963 -3.676 5.222 -4.688 133 HG21 ILE 963 1HG2 ILE 963 -1.937 7.378 -7.903 134 HG22 ILE 963 2HG2 ILE 963 -3.663 7.481 -7.577 135 HG23 ILE 963 3HG2 ILE 963 -2.981 6.008 -8.262 136 HD11 ILE 963 3HD1 ILE 963 -5.552 6.575 -4.574 137 HD12 ILE 963 1HD1 ILE 963 -5.452 7.040 -6.270 138 HD13 ILE 963 2HD1 ILE 963 -4.362 7.767 -5.087 139 H ARG 964 H ARG 964 0.274 6.645 -5.325 140 HA ARG 964 HA ARG 964 1.523 7.535 -7.683 141 HB2 ARG 964 2HB ARG 964 1.817 8.553 -5.425 142 HB3 ARG 964 1HB ARG 964 2.764 7.141 -4.947 143 HG2 ARG 964 2HG ARG 964 4.385 7.618 -6.746 144 HG3 ARG 964 1HG ARG 964 3.448 9.038 -7.215 145 HD2 ARG 964 2HD ARG 964 4.607 8.621 -4.450 146 HD3 ARG 964 1HD ARG 964 5.410 9.547 -5.714 147 HE ARG 964 HE ARG 964 2.809 10.565 -5.431 148 HH11 ARG 964 1HH2 ARG 964 5.741 10.224 -3.628 149 HH12 ARG 964 2HH2 ARG 964 5.494 11.653 -2.684 150 HH21 ARG 964 1HH1 ARG 964 2.473 12.440 -4.207 151 HH22 ARG 964 2HH1 ARG 964 3.638 12.918 -3.016 152 H ASP 965 H ASP 965 2.168 4.795 -5.540 153 HA ASP 965 HA ASP 965 4.496 3.873 -6.819 154 HB2 ASP 965 2HB ASP 965 2.433 2.516 -5.111 155 HB3 ASP 965 1HB ASP 965 3.834 1.673 -5.742 156 H TRP 966 H TRP 966 1.048 3.068 -7.357 157 HA TRP 966 HA TRP 966 1.706 1.190 -9.463 158 HB2 TRP 966 2HB TRP 966 -0.981 2.469 -8.962 159 HB3 TRP 966 1HB TRP 966 -0.654 0.976 -9.832 160 HD1 TRP 966 HD TRP 966 -2.091 1.974 -6.795 161 HE1 TRP 966 HE1 TRP 966 -1.868 0.224 -4.931 162 HE3 TRP 966 HE3 TRP 966 1.627 -0.964 -8.751 163 HZ2 TRP 966 HZ2 TRP 966 -0.326 -2.087 -4.330 164 HZ3 TRP 966 HZ3 TRP 966 2.448 -2.927 -7.495 165 HH2 TRP 966 HH TRP 966 1.477 -3.496 -5.288 166 H ARG 967 H ARG 967 1.780 4.486 -9.250 167 HA ARG 967 HA ARG 967 1.792 6.206 -10.768 168 HB2 ARG 967 2HB ARG 967 3.463 4.227 -11.622 169 HB3 ARG 967 1HB ARG 967 2.432 4.382 -13.033 170 HG2 ARG 967 2HG ARG 967 4.107 5.951 -13.490 171 HG3 ARG 967 1HG ARG 967 2.857 6.955 -12.759 172 HD2 ARG 967 2HD ARG 967 3.998 6.991 -10.647 173 HD3 ARG 967 1HD ARG 967 5.116 5.728 -11.153 174 HE ARG 967 HE ARG 967 5.394 7.871 -12.939 175 HH11 ARG 967 1HH2 ARG 967 5.788 7.178 -9.573 176 HH12 ARG 967 2HH2 ARG 967 7.154 8.222 -9.373 177 HH21 ARG 967 1HH1 ARG 967 7.191 9.251 -12.684 178 HH22 ARG 967 2HH1 ARG 967 7.949 9.389 -11.134 179 H LYS 968 H LYS 968 -0.817 5.134 -10.382 180 HA LYS 968 HA LYS 968 -2.038 5.995 -12.882 181 HB2 LYS 968 2HB LYS 968 -3.529 3.991 -13.000 182 HB3 LYS 968 1HB LYS 968 -1.839 3.635 -13.338 183 HG2 LYS 968 2HG LYS 968 -1.491 2.686 -11.196 184 HG3 LYS 968 1HG LYS 968 -3.001 3.328 -10.562 185 HD2 LYS 968 2HD LYS 968 -3.354 0.985 -11.005 186 HD3 LYS 968 1HD LYS 968 -4.210 1.884 -12.256 187 HE2 LYS 968 2HE LYS 968 -2.506 1.454 -13.871 188 HE3 LYS 968 1HE LYS 968 -1.390 0.856 -12.643 189 HZ1 LYS 968 3HZ LYS 968 -3.228 -0.603 -14.122 190 HZ2 LYS 968 1HZ LYS 968 -3.809 -0.588 -12.530 191 HZ3 LYS 968 2HZ LYS 968 -2.243 -1.162 -12.856 192 H GLU 969 H GLU 969 -4.493 4.407 -11.621 193 HA GLU 969 HA GLU 969 -5.061 6.107 -9.318 194 HB2 GLU 969 2HB GLU 969 -5.680 7.487 -11.305 195 HB3 GLU 969 1HB GLU 969 -6.814 6.224 -11.779 196 HG2 GLU 969 2HG GLU 969 -8.038 6.475 -9.684 197 HG3 GLU 969 1HG GLU 969 -6.874 7.672 -9.117 198 H MET 970 H MET 970 -6.662 5.340 -8.012 199 HA MET 970 HA MET 970 -8.347 3.113 -8.821 200 HB2 MET 970 2HB MET 970 -7.564 1.584 -7.112 201 HB3 MET 970 1HB MET 970 -6.211 2.018 -8.150 202 HG2 MET 970 2HG MET 970 -5.058 2.700 -6.310 203 HG3 MET 970 1HG MET 970 -6.260 3.954 -6.040 204 HE1 MET 970 3HE MET 970 -5.573 0.102 -3.779 205 HE2 MET 970 1HE MET 970 -4.464 1.102 -4.721 206 HE3 MET 970 2HE MET 970 -5.627 0.055 -5.532 207 H THR 971 H THR 971 -9.325 2.319 -6.416 208 HA THR 971 HA THR 971 -10.271 4.838 -5.143 209 HB THR 971 HB THR 971 -12.383 3.668 -4.695 210 HG1 THR 971 HG1 THR 971 -11.907 1.682 -6.503 211 HG21 THR 971 3HG2 THR 971 -11.479 3.746 -7.583 212 HG22 THR 971 1HG2 THR 971 -12.288 5.027 -6.681 213 HG23 THR 971 2HG2 THR 971 -13.159 3.548 -7.087 214 H VAL 972 H VAL 972 -10.954 4.631 -2.920 215 HA VAL 972 HA VAL 972 -9.014 3.453 -1.262 216 HB VAL 972 HB VAL 972 -11.750 4.633 -0.789 217 HG11 VAL 972 1HG1 VAL 972 -9.969 3.179 1.154 218 HG12 VAL 972 2HG1 VAL 972 -11.720 3.125 1.008 219 HG13 VAL 972 3HG1 VAL 972 -10.944 4.539 1.715 220 HG21 VAL 972 3HG2 VAL 972 -9.837 6.111 -1.346 221 HG22 VAL 972 1HG2 VAL 972 -8.944 5.461 0.029 222 HG23 VAL 972 2HG2 VAL 972 -10.412 6.396 0.297 223 H GLN 973 H GLN 973 -12.319 2.405 -2.115 224 HA GLN 973 HA GLN 973 -12.533 0.244 -0.388 225 HB2 GLN 973 2HB GLN 973 -14.377 1.091 -1.826 226 HB3 GLN 973 1HB GLN 973 -13.581 0.370 -3.226 227 HG2 GLN 973 2HG GLN 973 -13.782 -1.847 -2.284 228 HG3 GLN 973 1HG GLN 973 -14.401 -1.194 -0.768 229 HE21 GLN 973 1HE2 GLN 973 -16.233 0.748 -1.850 230 HE22 GLN 973 2HE2 GLN 973 -17.476 -0.098 -2.640 231 H GLN 974 H GLN 974 -11.078 0.338 -3.644 232 HA GLN 974 HA GLN 974 -10.504 -2.408 -3.864 233 HB2 GLN 974 2HB GLN 974 -9.384 0.105 -5.066 234 HB3 GLN 974 1HB GLN 974 -8.534 -1.415 -5.332 235 HG2 GLN 974 2HG GLN 974 -10.240 -0.796 -7.098 236 HG3 GLN 974 1HG GLN 974 -10.438 -2.399 -6.401 237 HE21 GLN 974 1HE2 GLN 974 -12.184 0.269 -7.313 238 HE22 GLN 974 2HE2 GLN 974 -13.510 0.115 -6.266 239 H PHE 975 H PHE 975 -8.639 0.265 -2.454 240 HA PHE 975 HA PHE 975 -6.312 -1.209 -1.868 241 HB2 PHE 975 2HB PHE 975 -6.231 1.188 -1.828 242 HB3 PHE 975 1HB PHE 975 -7.484 1.266 -0.600 243 HD1 PHE 975 HD1 PHE 975 -4.210 -0.515 -1.105 244 HD2 PHE 975 HD2 PHE 975 -6.733 1.709 1.564 245 HE1 PHE 975 HE1 PHE 975 -2.476 -0.666 0.661 246 HE2 PHE 975 HE2 PHE 975 -5.001 1.549 3.334 247 HZ PHE 975 HZ PHE 975 -2.871 0.367 2.877 248 H LEU 976 H LEU 976 -9.189 -0.533 0.131 249 HA LEU 976 HA LEU 976 -8.252 -1.859 2.448 250 HB2 LEU 976 2HB LEU 976 -10.903 -0.918 1.448 251 HB3 LEU 976 1HB LEU 976 -10.933 -2.116 2.738 252 HG LEU 976 HG LEU 976 -9.635 -0.680 4.172 253 HD11 LEU 976 1HD1 LEU 976 -9.232 0.900 1.653 254 HD12 LEU 976 2HD1 LEU 976 -8.066 0.403 2.874 255 HD13 LEU 976 3HD1 LEU 976 -9.175 1.725 3.211 256 HD21 LEU 976 3HD2 LEU 976 -11.749 0.994 2.789 257 HD22 LEU 976 1HD2 LEU 976 -11.194 1.158 4.456 258 HD23 LEU 976 2HD2 LEU 976 -12.092 -0.278 3.962 259 H ASP 977 H ASP 977 -10.065 -3.023 -0.368 260 HA ASP 977 HA ASP 977 -10.494 -5.646 0.664 261 HB2 ASP 977 2HB ASP 977 -11.821 -4.747 -1.197 262 HB3 ASP 977 1HB ASP 977 -10.377 -4.666 -2.200 263 H LEU 978 H LEU 978 -7.962 -4.104 -1.217 264 HA LEU 978 HA LEU 978 -6.486 -6.416 -1.916 265 HB2 LEU 978 2HB LEU 978 -6.106 -4.437 -3.139 266 HB3 LEU 978 1HB LEU 978 -5.802 -3.494 -1.689 267 HG LEU 978 HG LEU 978 -3.970 -5.833 -2.089 268 HD11 LEU 978 1HD1 LEU 978 -4.074 -5.099 -4.397 269 HD12 LEU 978 2HD1 LEU 978 -2.559 -4.523 -3.699 270 HD13 LEU 978 3HD1 LEU 978 -3.911 -3.411 -3.909 271 HD21 LEU 978 3HD2 LEU 978 -3.514 -4.324 -0.253 272 HD22 LEU 978 1HD2 LEU 978 -3.624 -2.916 -1.312 273 HD23 LEU 978 2HD2 LEU 978 -2.283 -4.039 -1.478 274 H LYS 979 H LYS 979 -6.079 -4.120 0.803 275 HA LYS 979 HA LYS 979 -3.839 -5.524 1.893 276 HB2 LYS 979 2HB LYS 979 -3.977 -4.013 3.701 277 HB3 LYS 979 1HB LYS 979 -4.565 -3.082 2.324 278 HG2 LYS 979 2HG LYS 979 -6.884 -3.657 2.993 279 HG3 LYS 979 1HG LYS 979 -6.259 -4.439 4.433 280 HD2 LYS 979 2HD LYS 979 -5.110 -2.246 4.976 281 HD3 LYS 979 1HD LYS 979 -6.062 -1.528 3.671 282 HE2 LYS 979 2HE LYS 979 -8.136 -2.319 4.784 283 HE3 LYS 979 1HE LYS 979 -7.167 -2.954 6.108 284 HZ1 LYS 979 3HZ LYS 979 -6.244 -0.575 6.222 285 HZ2 LYS 979 1HZ LYS 979 -7.786 -0.878 6.861 286 HZ3 LYS 979 2HZ LYS 979 -7.628 -0.146 5.334 287 H GLU 980 H GLU 980 -7.344 -5.624 2.466 288 HA GLU 980 HA GLU 980 -7.317 -7.301 4.693 289 HB2 GLU 980 2HB GLU 980 -9.375 -6.265 3.819 290 HB3 GLU 980 1HB GLU 980 -9.302 -7.305 2.397 291 HG2 GLU 980 2HG GLU 980 -9.489 -9.297 3.846 292 HG3 GLU 980 1HG GLU 980 -9.550 -8.259 5.267 293 H ARG 981 H ARG 981 -7.345 -8.145 1.225 294 HA ARG 981 HA ARG 981 -7.218 -10.945 1.621 295 HB2 ARG 981 2HB ARG 981 -6.456 -9.193 -0.716 296 HB3 ARG 981 1HB ARG 981 -6.381 -10.955 -0.768 297 HG2 ARG 981 2HG ARG 981 -8.776 -11.080 -0.189 298 HG3 ARG 981 1HG ARG 981 -8.855 -9.319 -0.133 299 HD2 ARG 981 2HD ARG 981 -8.169 -9.230 -2.514 300 HD3 ARG 981 1HD ARG 981 -8.146 -10.990 -2.562 301 HE ARG 981 HE ARG 981 -10.518 -9.275 -2.458 302 HH11 ARG 981 1HH2 ARG 981 -9.139 -12.452 -2.238 303 HH12 ARG 981 2HH2 ARG 981 -10.636 -13.262 -2.555 304 HH21 ARG 981 1HH1 ARG 981 -12.469 -10.338 -2.856 305 HH22 ARG 981 2HH1 ARG 981 -12.519 -12.067 -2.900 306 H ALA 982 H ALA 982 -4.665 -8.511 1.072 307 HA ALA 982 HA ALA 982 -2.527 -10.354 0.953 308 HB1 ALA 982 3HB ALA 982 -1.831 -7.714 2.076 309 HB2 ALA 982 1HB ALA 982 -2.799 -7.627 0.608 310 HB3 ALA 982 2HB ALA 982 -1.265 -8.486 0.609 311 H LEU 983 H LEU 983 -3.772 -8.439 3.652 312 HA LEU 983 HA LEU 983 -1.968 -9.455 5.580 313 HB2 LEU 983 2HB LEU 983 -4.556 -7.935 5.654 314 HB3 LEU 983 1HB LEU 983 -3.919 -8.616 7.147 315 HG LEU 983 HG LEU 983 -1.915 -7.331 6.988 316 HD11 LEU 983 1HD1 LEU 983 -2.759 -6.799 4.152 317 HD12 LEU 983 2HD1 LEU 983 -1.228 -7.430 4.738 318 HD13 LEU 983 3HD1 LEU 983 -1.631 -5.734 4.979 319 HD21 LEU 983 3HD2 LEU 983 -3.832 -6.061 7.792 320 HD22 LEU 983 1HD2 LEU 983 -4.285 -5.648 6.139 321 HD23 LEU 983 2HD2 LEU 983 -2.796 -5.004 6.832 322 H SER 984 H SER 984 -4.849 -10.674 4.124 323 HA SER 984 HA SER 984 -5.493 -12.544 6.231 324 HB2 SER 984 2HB SER 984 -6.450 -12.247 3.385 325 HB3 SER 984 1HB SER 984 -7.038 -13.499 4.472 326 HG SER 984 HG SER 984 -7.743 -10.918 4.314 327 H GLY 985 H GLY 985 -3.019 -12.409 4.033 328 HA2 GLY 985 2HA GLY 985 -1.331 -14.049 3.852 329 HA3 GLY 985 1HA GLY 985 -2.495 -15.283 4.313 330 H ALA 986 H ALA 986 -3.319 -12.949 1.846 331 HA ALA 986 HA ALA 986 -3.898 -14.951 -0.083 332 HB1 ALA 986 3HB ALA 986 -3.446 -11.985 -0.420 333 HB2 ALA 986 1HB ALA 986 -4.985 -12.780 -0.154 334 HB3 ALA 986 2HB ALA 986 -4.118 -13.047 -1.657 335 H SER 987 H SER 987 -2.819 -15.438 -2.046 336 HA SER 987 HA SER 987 0.088 -14.887 -1.986 337 HB2 SER 987 2HB SER 987 0.355 -16.938 -3.282 338 HB3 SER 987 1HB SER 987 -0.518 -17.277 -1.792 339 HG SER 987 HG SER 987 -1.656 -16.825 -4.358 340 H ASP 988 H ASP 988 -2.681 -13.899 -3.500 341 HA ASP 988 HA ASP 988 -2.208 -13.897 -6.227 342 HB2 ASP 988 2HB ASP 988 -3.350 -11.722 -4.452 343 HB3 ASP 988 1HB ASP 988 -3.413 -11.670 -6.210 344 HA PRO 989 HA PRO 989 1.591 -11.715 -6.774 345 HB2 PRO 989 2HB PRO 989 1.016 -10.136 -9.008 346 HB3 PRO 989 1HB PRO 989 1.482 -11.846 -9.068 347 HG2 PRO 989 2HG PRO 989 -1.240 -10.624 -9.182 348 HG3 PRO 989 1HG PRO 989 -0.576 -11.982 -10.112 349 HD2 PRO 989 2HD PRO 989 -2.230 -12.406 -8.033 350 HD3 PRO 989 1HD PRO 989 -0.866 -13.503 -8.346 351 H ASP 990 H ASP 990 -1.361 -9.767 -6.904 352 HA ASP 990 HA ASP 990 -0.113 -7.277 -6.290 353 HB2 ASP 990 2HB ASP 990 -2.960 -8.252 -6.018 354 HB3 ASP 990 1HB ASP 990 -2.462 -6.607 -5.629 355 H SER 991 H SER 991 -1.318 -9.955 -4.385 356 HA SER 991 HA SER 991 -1.441 -8.605 -1.890 357 HB2 SER 991 2HB SER 991 -1.182 -11.530 -2.578 358 HB3 SER 991 1HB SER 991 -1.416 -10.925 -0.950 359 HG SER 991 HG SER 991 -3.148 -9.777 -2.673 360 H GLN 992 H GLN 992 1.019 -10.855 -3.196 361 HA GLN 992 HA GLN 992 2.819 -10.444 -1.027 362 HB2 GLN 992 2HB GLN 992 4.509 -11.399 -2.794 363 HB3 GLN 992 1HB GLN 992 3.228 -12.438 -2.167 364 HG2 GLN 992 2HG GLN 992 1.921 -12.206 -4.106 365 HG3 GLN 992 1HG GLN 992 2.829 -10.808 -4.668 366 HE21 GLN 992 1HE2 GLN 992 2.480 -14.142 -5.104 367 HE22 GLN 992 2HE2 GLN 992 3.980 -14.456 -5.836 368 H ARG 993 H ARG 993 2.405 -8.944 -4.193 369 HA ARG 993 HA ARG 993 4.787 -7.417 -4.169 370 HB2 ARG 993 2HB ARG 993 2.123 -6.983 -5.538 371 HB3 ARG 993 1HB ARG 993 3.505 -5.911 -5.770 372 HG2 ARG 993 2HG ARG 993 4.024 -8.848 -6.087 373 HG3 ARG 993 1HG ARG 993 3.062 -8.079 -7.348 374 HD2 ARG 993 2HD ARG 993 5.488 -8.061 -7.874 375 HD3 ARG 993 1HD ARG 993 4.819 -6.436 -7.750 376 HE ARG 993 HE ARG 993 6.117 -6.087 -5.844 377 HH11 ARG 993 1HH2 ARG 993 6.072 -9.435 -6.735 378 HH12 ARG 993 2HH2 ARG 993 7.371 -9.869 -5.674 379 HH21 ARG 993 1HH1 ARG 993 7.817 -6.662 -4.451 380 HH22 ARG 993 2HH1 ARG 993 8.356 -8.307 -4.391 381 H TYR 994 H TYR 994 1.527 -6.813 -2.927 382 HA TYR 994 HA TYR 994 1.943 -4.138 -2.098 383 HB2 TYR 994 2HB TYR 994 -0.306 -4.999 -2.210 384 HB3 TYR 994 1HB TYR 994 0.075 -6.283 -1.060 385 HD1 TYR 994 HD1 TYR 994 0.422 -2.548 -1.297 386 HD2 TYR 994 HD2 TYR 994 -0.614 -5.920 1.147 387 HE1 TYR 994 HE1 TYR 994 -0.105 -1.024 0.584 388 HE2 TYR 994 HE2 TYR 994 -1.145 -4.396 3.031 389 HH TYR 994 HH TYR 994 -1.421 -1.003 2.616 390 H ASN 995 H ASN 995 2.295 -7.253 -0.402 391 HA ASN 995 HA ASN 995 3.104 -6.230 2.088 392 HB2 ASN 995 2HB ASN 995 3.648 -8.822 0.641 393 HB3 ASN 995 1HB ASN 995 4.331 -8.503 2.237 394 HD21 ASN 995 1HD2 ASN 995 2.218 -10.512 1.484 395 HD22 ASN 995 2HD2 ASN 995 0.870 -10.121 2.437 396 H ALA 996 H ALA 996 4.938 -7.019 -0.848 397 HA ALA 996 HA ALA 996 7.512 -6.501 0.218 398 HB1 ALA 996 3HB ALA 996 6.614 -6.096 -2.619 399 HB2 ALA 996 1HB ALA 996 7.053 -7.668 -1.964 400 HB3 ALA 996 2HB ALA 996 8.255 -6.373 -2.068 401 H TRP 997 H TRP 997 5.123 -4.460 -1.441 402 HA TRP 997 HA TRP 997 6.689 -2.175 -1.691 403 HB2 TRP 997 2HB TRP 997 4.524 -2.297 -2.769 404 HB3 TRP 997 1HB TRP 997 3.706 -2.431 -1.213 405 HD1 TRP 997 HD TRP 997 6.056 0.058 -3.021 406 HE1 TRP 997 HE1 TRP 997 5.374 2.446 -2.332 407 HE3 TRP 997 HE3 TRP 997 2.314 -1.007 0.290 408 HZ2 TRP 997 HZ2 TRP 997 3.489 3.736 -0.612 409 HZ3 TRP 997 HZ3 TRP 997 1.090 0.822 1.431 410 HH2 TRP 997 HH TRP 997 1.671 3.188 0.984 411 H LEU 998 H LEU 998 4.769 -3.391 1.016 412 HA LEU 998 HA LEU 998 5.184 -1.170 2.734 413 HB2 LEU 998 2HB LEU 998 4.528 -4.078 3.210 414 HB3 LEU 998 1HB LEU 998 4.797 -2.981 4.556 415 HG LEU 998 HG LEU 998 2.844 -2.287 2.352 416 HD11 LEU 998 1HD1 LEU 998 2.001 -4.383 3.088 417 HD12 LEU 998 2HD1 LEU 998 1.084 -3.182 3.999 418 HD13 LEU 998 3HD1 LEU 998 2.412 -4.049 4.772 419 HD21 LEU 998 3HD2 LEU 998 3.290 -0.422 3.776 420 HD22 LEU 998 1HD2 LEU 998 3.265 -1.417 5.231 421 HD23 LEU 998 2HD2 LEU 998 1.771 -1.085 4.361 422 H GLU 999 H GLU 999 6.956 -4.158 2.087 423 HA GLU 999 HA GLU 999 8.934 -3.925 4.074 424 HB2 GLU 999 2HB GLU 999 8.543 -5.965 2.690 425 HB3 GLU 999 1HB GLU 999 9.260 -5.147 1.311 426 HG2 GLU 999 2HG GLU 999 11.360 -4.847 2.578 427 HG3 GLU 999 1HG GLU 999 10.644 -5.687 3.954 428 H LEU1000 H LEU1000 8.884 -2.740 0.712 429 HA LEU1000 HA LEU1000 11.472 -1.595 0.758 430 HB2 LEU1000 2HB LEU1000 9.109 -0.587 -0.842 431 HB3 LEU1000 1HB LEU1000 10.814 -0.355 -1.201 432 HG LEU1000 HG LEU1000 9.135 -2.839 -1.473 433 HD11 LEU1000 1HD1 LEU1000 11.252 -1.689 -3.291 434 HD12 LEU1000 2HD1 LEU1000 9.558 -1.204 -3.351 435 HD13 LEU1000 3HD1 LEU1000 10.010 -2.874 -3.696 436 HD21 LEU1000 3HD2 LEU1000 11.000 -3.680 -0.200 437 HD22 LEU1000 1HD2 LEU1000 12.152 -2.747 -1.157 438 HD23 LEU1000 2HD2 LEU1000 11.289 -4.103 -1.882 439 H ARG1001 H ARG1001 8.275 -0.341 1.594 440 HA ARG1001 HA ARG1001 9.052 2.322 1.995 441 HB2 ARG1001 2HB ARG1001 6.720 1.733 1.877 442 HB3 ARG1001 1HB ARG1001 6.859 0.694 3.294 443 HG2 ARG1001 2HG ARG1001 7.265 2.546 4.734 444 HG3 ARG1001 1HG ARG1001 7.524 3.629 3.373 445 HD2 ARG1001 2HD ARG1001 5.152 3.327 2.710 446 HD3 ARG1001 1HD ARG1001 4.917 2.253 4.087 447 HE ARG1001 HE ARG1001 5.099 5.152 4.148 448 HH11 ARG1001 1HH2 ARG1001 5.358 2.171 5.898 449 HH12 ARG1001 2HH2 ARG1001 5.075 2.902 7.443 450 HH21 ARG1001 1HH1 ARG1001 4.705 6.101 6.159 451 HH22 ARG1001 2HH1 ARG1001 4.715 5.129 7.593 452 H ALA1002 H ALA1002 8.880 -0.426 4.199 453 HA ALA1002 HA ALA1002 9.707 0.944 6.518 454 HB1 ALA1002 3HB ALA1002 8.614 -1.317 6.466 455 HB2 ALA1002 1HB ALA1002 10.056 -1.248 7.480 456 HB3 ALA1002 2HB ALA1002 10.136 -1.984 5.877 457 H LYS1003 H LYS1003 11.400 -0.463 3.821 458 HA LYS1003 HA LYS1003 13.988 -0.558 5.012 459 HB2 LYS1003 2HB LYS1003 13.045 -0.504 2.155 460 HB3 LYS1003 1HB LYS1003 14.755 -0.473 2.548 461 HG2 LYS1003 2HG LYS1003 13.002 -2.574 3.813 462 HG3 LYS1003 1HG LYS1003 13.519 -2.780 2.140 463 HD2 LYS1003 2HD LYS1003 15.882 -2.497 2.855 464 HD3 LYS1003 1HD LYS1003 15.349 -2.370 4.530 465 HE2 LYS1003 2HE LYS1003 14.387 -4.629 4.417 466 HE3 LYS1003 1HE LYS1003 14.870 -4.758 2.724 467 HZ1 LYS1003 3HZ LYS1003 17.057 -3.976 4.357 468 HZ2 LYS1003 1HZ LYS1003 16.915 -5.313 3.322 469 HZ3 LYS1003 2HZ LYS1003 16.374 -5.424 4.929 470 H ARG1004 H ARG1004 12.286 1.899 3.100 471 HA ARG1004 HA ARG1004 14.527 3.767 3.411 472 HB2 ARG1004 2HB ARG1004 13.235 5.231 1.938 473 HB3 ARG1004 1HB ARG1004 13.347 3.616 1.245 474 HG2 ARG1004 2HG ARG1004 11.117 3.136 2.344 475 HG3 ARG1004 1HG ARG1004 10.980 4.865 2.635 476 HD2 ARG1004 2HD ARG1004 11.378 3.583 -0.078 477 HD3 ARG1004 1HD ARG1004 9.852 4.215 0.533 478 HE ARG1004 HE ARG1004 12.090 5.767 -0.466 479 HH11 ARG1004 1HH2 ARG1004 9.264 5.681 1.529 480 HH12 ARG1004 2HH2 ARG1004 8.985 7.389 1.447 481 HH21 ARG1004 1HH1 ARG1004 11.719 8.016 -0.587 482 HH22 ARG1004 2HH1 ARG1004 10.365 8.703 0.250 483 H LEU1005 H LEU1005 14.682 5.033 5.122 484 HA LEU1005 HA LEU1005 12.295 5.568 6.780 485 HB2 LEU1005 2HB LEU1005 15.262 5.583 7.299 486 HB3 LEU1005 1HB LEU1005 14.158 6.420 8.388 487 HG LEU1005 HG LEU1005 12.880 4.314 8.684 488 HD11 LEU1005 1HD1 LEU1005 14.229 2.206 7.896 489 HD12 LEU1005 2HD1 LEU1005 14.942 3.314 6.726 490 HD13 LEU1005 3HD1 LEU1005 13.199 3.045 6.738 491 HD21 LEU1005 3HD2 LEU1005 14.765 4.946 10.204 492 HD22 LEU1005 1HD2 LEU1005 15.850 3.973 9.210 493 HD23 LEU1005 2HD2 LEU1005 14.533 3.202 10.093 494 H SER1006 H SER1006 13.788 6.944 4.251 495 HA SER1006 HA SER1006 13.959 9.069 3.406 496 HB2 SER1006 2HB SER1006 11.496 8.964 4.069 497 HB3 SER1006 1HB SER1006 11.950 9.867 5.510 498 HG SER1006 HG SER1006 11.345 10.903 3.262 Start of MODEL 7 1 HA2 GLY 945 2HA GLY 945 -23.104 12.014 1.490 2 HA3 GLY 945 1HA GLY 945 -23.953 10.822 2.473 3 H ALA 946 H ALA 946 -23.328 8.446 1.428 4 HA ALA 946 HA ALA 946 -21.699 6.823 1.558 5 HB1 ALA 946 3HB ALA 946 -21.287 7.777 -0.707 6 HB2 ALA 946 1HB ALA 946 -19.829 7.123 0.039 7 HB3 ALA 946 2HB ALA 946 -20.097 8.866 0.001 8 H MET 947 H MET 947 -21.834 8.291 3.870 9 HA MET 947 HA MET 947 -19.229 9.259 4.642 10 HB2 MET 947 2HB MET 947 -21.664 8.589 6.319 11 HB3 MET 947 1HB MET 947 -20.235 9.447 6.891 12 HG2 MET 947 2HG MET 947 -22.033 10.375 4.629 13 HG3 MET 947 1HG MET 947 -22.080 11.004 6.274 14 HE1 MET 947 3HE MET 947 -19.927 11.652 7.499 15 HE2 MET 947 1HE MET 947 -20.678 13.157 6.949 16 HE3 MET 947 2HE MET 947 -18.936 12.935 6.814 17 H ALA 948 H ALA 948 -19.986 6.348 3.784 18 HA ALA 948 HA ALA 948 -19.406 4.619 5.936 19 HB1 ALA 948 3HB ALA 948 -20.401 3.817 3.853 20 HB2 ALA 948 1HB ALA 948 -18.886 2.967 4.163 21 HB3 ALA 948 2HB ALA 948 -18.943 4.261 2.967 22 H ILE 949 H ILE 949 -17.385 6.518 3.820 23 HA ILE 949 HA ILE 949 -14.938 5.153 4.354 24 HB ILE 949 HB ILE 949 -13.873 7.137 3.350 25 HG12 ILE 949 2HG1 ILE 949 -16.692 8.277 3.332 26 HG13 ILE 949 1HG1 ILE 949 -15.370 8.845 4.353 27 HG21 ILE 949 1HG2 ILE 949 -16.402 6.312 1.891 28 HG22 ILE 949 2HG2 ILE 949 -14.914 5.364 1.937 29 HG23 ILE 949 3HG2 ILE 949 -14.928 6.945 1.157 30 HD11 ILE 949 3HD1 ILE 949 -14.043 9.224 2.211 31 HD12 ILE 949 1HD1 ILE 949 -15.405 10.314 2.477 32 HD13 ILE 949 2HD1 ILE 949 -15.556 8.974 1.343 33 H ALA 950 H ALA 950 -13.414 5.484 5.906 34 HA ALA 950 HA ALA 950 -13.598 7.758 7.721 35 HB1 ALA 950 3HB ALA 950 -13.703 4.994 8.919 36 HB2 ALA 950 1HB ALA 950 -15.174 5.894 8.550 37 HB3 ALA 950 2HB ALA 950 -14.007 6.547 9.700 38 H LEU 951 H LEU 951 -11.592 7.151 5.912 39 HA LEU 951 HA LEU 951 -9.483 5.664 7.191 40 HB2 LEU 951 2HB LEU 951 -9.731 7.309 4.693 41 HB3 LEU 951 1HB LEU 951 -8.117 6.966 5.312 42 HG LEU 951 HG LEU 951 -8.680 4.534 5.326 43 HD11 LEU 951 1HD1 LEU 951 -11.075 4.595 5.531 44 HD12 LEU 951 2HD1 LEU 951 -10.710 3.887 3.958 45 HD13 LEU 951 3HD1 LEU 951 -11.229 5.567 4.068 46 HD21 LEU 951 3HD2 LEU 951 -8.660 4.286 2.836 47 HD22 LEU 951 1HD2 LEU 951 -7.497 5.479 3.416 48 HD23 LEU 951 2HD2 LEU 951 -9.016 6.008 2.700 49 H ARG 952 H ARG 952 -7.583 6.457 8.072 50 HA ARG 952 HA ARG 952 -7.882 8.987 9.499 51 HB2 ARG 952 2HB ARG 952 -5.793 6.803 9.664 52 HB3 ARG 952 1HB ARG 952 -5.856 8.219 10.713 53 HG2 ARG 952 2HG ARG 952 -8.098 7.552 11.492 54 HG3 ARG 952 1HG ARG 952 -8.045 6.140 10.434 55 HD2 ARG 952 2HD ARG 952 -6.035 6.702 12.632 56 HD3 ARG 952 1HD ARG 952 -7.412 5.617 12.798 57 HE ARG 952 HE ARG 952 -6.003 4.799 10.530 58 HH11 ARG 952 1HH2 ARG 952 -5.525 5.146 13.940 59 HH12 ARG 952 2HH2 ARG 952 -4.406 3.830 14.057 60 HH21 ARG 952 1HH1 ARG 952 -4.539 3.068 10.675 61 HH22 ARG 952 2HH1 ARG 952 -3.847 2.652 12.210 62 H ASP 953 H ASP 953 -5.708 10.227 9.788 63 HA ASP 953 HA ASP 953 -5.035 11.372 7.298 64 HB2 ASP 953 2HB ASP 953 -3.245 12.540 8.585 65 HB3 ASP 953 1HB ASP 953 -4.836 12.665 9.326 66 H ASP 954 H ASP 954 -3.443 8.920 9.281 67 HA ASP 954 HA ASP 954 -1.092 8.743 7.643 68 HB2 ASP 954 2HB ASP 954 -0.783 6.560 8.901 69 HB3 ASP 954 1HB ASP 954 -0.895 8.002 9.905 70 H GLU 955 H GLU 955 -4.187 7.079 7.829 71 HA GLU 955 HA GLU 955 -3.574 5.043 5.932 72 HB2 GLU 955 2HB GLU 955 -6.220 6.167 6.876 73 HB3 GLU 955 1HB GLU 955 -6.046 4.731 5.868 74 HG2 GLU 955 2HG GLU 955 -4.701 5.047 8.562 75 HG3 GLU 955 1HG GLU 955 -6.258 4.250 8.344 76 H TYR 956 H TYR 956 -5.106 8.233 5.691 77 HA TYR 956 HA TYR 956 -5.887 8.042 2.984 78 HB2 TYR 956 2HB TYR 956 -6.676 9.821 4.532 79 HB3 TYR 956 1HB TYR 956 -5.057 10.523 4.515 80 HD1 TYR 956 HD1 TYR 956 -8.066 9.816 2.494 81 HD2 TYR 956 HD2 TYR 956 -4.217 11.720 2.579 82 HE1 TYR 956 HE1 TYR 956 -8.618 11.024 0.399 83 HE2 TYR 956 HE2 TYR 956 -4.769 12.929 0.486 84 HH TYR 956 HH TYR 956 -7.844 13.224 -0.710 85 H ASP 957 H ASP 957 -2.941 9.189 4.544 86 HA ASP 957 HA ASP 957 -1.581 10.030 2.204 87 HB2 ASP 957 2HB ASP 957 -0.972 10.602 4.587 88 HB3 ASP 957 1HB ASP 957 -0.331 8.969 4.745 89 H GLU 958 H GLU 958 -1.794 6.947 3.903 90 HA GLU 958 HA GLU 958 0.201 5.588 2.409 91 HB2 GLU 958 2HB GLU 958 -0.689 4.798 4.590 92 HB3 GLU 958 1HB GLU 958 -2.229 4.439 3.807 93 HG2 GLU 958 2HG GLU 958 -1.115 2.849 2.301 94 HG3 GLU 958 1HG GLU 958 0.442 3.234 3.031 95 H TRP 959 H TRP 959 -3.290 6.007 1.994 96 HA TRP 959 HA TRP 959 -3.581 4.225 -0.193 97 HB2 TRP 959 2HB TRP 959 -5.533 4.864 1.028 98 HB3 TRP 959 1HB TRP 959 -5.210 6.576 0.780 99 HD1 TRP 959 HD TRP 959 -5.596 3.542 -1.613 100 HE1 TRP 959 HE1 TRP 959 -7.158 4.271 -3.534 101 HE3 TRP 959 HE3 TRP 959 -6.549 8.328 -0.173 102 HZ2 TRP 959 HZ2 TRP 959 -8.624 6.601 -4.342 103 HZ3 TRP 959 HZ3 TRP 959 -8.024 9.788 -1.526 104 HH2 TRP 959 HH TRP 959 -9.064 8.931 -3.610 105 H GLN 960 H GLN 960 -3.047 7.758 -0.030 106 HA GLN 960 HA GLN 960 -3.052 8.142 -2.839 107 HB2 GLN 960 2HB GLN 960 -1.771 9.718 -0.597 108 HB3 GLN 960 1HB GLN 960 -1.782 10.254 -2.277 109 HG2 GLN 960 2HG GLN 960 -4.286 9.556 -0.725 110 HG3 GLN 960 1HG GLN 960 -3.657 11.196 -0.878 111 HE21 GLN 960 1HE2 GLN 960 -5.709 8.915 -2.360 112 HE22 GLN 960 2HE2 GLN 960 -5.859 9.682 -3.866 113 H ASP 961 H ASP 961 -0.533 7.352 -0.532 114 HA ASP 961 HA ASP 961 1.663 7.588 -2.299 115 HB2 ASP 961 2HB ASP 961 1.286 6.028 0.263 116 HB3 ASP 961 1HB ASP 961 2.815 6.098 -0.611 117 H ILE 962 H ILE 962 -0.538 4.908 -1.558 118 HA ILE 962 HA ILE 962 1.007 2.961 -2.966 119 HB ILE 962 HB ILE 962 -1.073 2.767 -1.217 120 HG12 ILE 962 2HG1 ILE 962 -0.352 0.741 -3.353 121 HG13 ILE 962 1HG1 ILE 962 0.467 0.949 -1.810 122 HG21 ILE 962 1HG2 ILE 962 -2.673 3.557 -2.999 123 HG22 ILE 962 2HG2 ILE 962 -3.086 2.003 -2.316 124 HG23 ILE 962 3HG2 ILE 962 -2.315 2.104 -3.894 125 HD11 ILE 962 3HD1 ILE 962 -1.010 -0.845 -1.416 126 HD12 ILE 962 1HD1 ILE 962 -2.309 -0.097 -2.340 127 HD13 ILE 962 2HD1 ILE 962 -1.869 0.546 -0.758 128 H ILE 963 H ILE 963 -1.619 5.158 -3.801 129 HA ILE 963 HA ILE 963 -2.144 4.198 -6.396 130 HB ILE 963 HB ILE 963 -2.402 6.958 -5.207 131 HG12 ILE 963 2HG1 ILE 963 -4.481 4.891 -5.936 132 HG13 ILE 963 1HG1 ILE 963 -3.798 5.063 -4.327 133 HG21 ILE 963 1HG2 ILE 963 -2.395 7.548 -7.454 134 HG22 ILE 963 2HG2 ILE 963 -4.085 7.058 -7.319 135 HG23 ILE 963 3HG2 ILE 963 -2.891 5.945 -7.985 136 HD11 ILE 963 3HD1 ILE 963 -4.828 7.119 -3.955 137 HD12 ILE 963 1HD1 ILE 963 -6.045 6.295 -4.922 138 HD13 ILE 963 2HD1 ILE 963 -4.980 7.476 -5.674 139 H ARG 964 H ARG 964 0.157 6.625 -5.204 140 HA ARG 964 HA ARG 964 1.166 7.344 -7.747 141 HB2 ARG 964 2HB ARG 964 1.574 8.607 -5.586 142 HB3 ARG 964 1HB ARG 964 2.715 7.342 -5.146 143 HG2 ARG 964 2HG ARG 964 4.149 8.893 -6.145 144 HG3 ARG 964 1HG ARG 964 3.767 7.861 -7.522 145 HD2 ARG 964 2HD ARG 964 1.955 9.449 -8.167 146 HD3 ARG 964 1HD ARG 964 2.419 10.485 -6.824 147 HE ARG 964 HE ARG 964 4.730 10.119 -8.294 148 HH11 ARG 964 1HH2 ARG 964 1.513 11.261 -8.835 149 HH12 ARG 964 2HH2 ARG 964 1.965 12.381 -10.076 150 HH21 ARG 964 1HH1 ARG 964 5.340 11.591 -9.921 151 HH22 ARG 964 2HH1 ARG 964 4.136 12.576 -10.685 152 H ASP 965 H ASP 965 2.003 4.813 -5.438 153 HA ASP 965 HA ASP 965 4.364 3.886 -6.617 154 HB2 ASP 965 2HB ASP 965 3.445 3.199 -4.387 155 HB3 ASP 965 1HB ASP 965 2.293 2.172 -5.242 156 H TRP 966 H TRP 966 0.978 2.893 -7.285 157 HA TRP 966 HA TRP 966 1.830 0.974 -9.275 158 HB2 TRP 966 2HB TRP 966 -0.942 2.129 -8.978 159 HB3 TRP 966 1HB TRP 966 -0.474 0.593 -9.702 160 HD1 TRP 966 HD TRP 966 -1.814 1.940 -6.645 161 HE1 TRP 966 HE1 TRP 966 -1.548 0.311 -4.680 162 HE3 TRP 966 HE3 TRP 966 1.570 -1.303 -8.662 163 HZ2 TRP 966 HZ2 TRP 966 -0.079 -2.067 -4.037 164 HZ3 TRP 966 HZ3 TRP 966 2.388 -3.240 -7.351 165 HH2 TRP 966 HH TRP 966 1.568 -3.625 -5.042 166 H ARG 967 H ARG 967 1.796 4.263 -9.272 167 HA ARG 967 HA ARG 967 1.901 5.881 -10.884 168 HB2 ARG 967 2HB ARG 967 2.676 3.461 -12.511 169 HB3 ARG 967 1HB ARG 967 2.772 5.115 -13.118 170 HG2 ARG 967 2HG ARG 967 4.249 5.719 -11.228 171 HG3 ARG 967 1HG ARG 967 4.169 4.056 -10.644 172 HD2 ARG 967 2HD ARG 967 5.162 3.266 -12.762 173 HD3 ARG 967 1HD ARG 967 5.257 4.929 -13.335 174 HE ARG 967 HE ARG 967 6.989 3.667 -11.366 175 HH11 ARG 967 1HH2 ARG 967 5.733 6.593 -12.726 176 HH12 ARG 967 2HH2 ARG 967 7.053 7.574 -12.186 177 HH21 ARG 967 1HH1 ARG 967 8.733 4.949 -10.666 178 HH22 ARG 967 2HH1 ARG 967 8.754 6.644 -11.027 179 H LYS 968 H LYS 968 -0.670 4.174 -10.554 180 HA LYS 968 HA LYS 968 -2.024 5.344 -12.908 181 HB2 LYS 968 2HB LYS 968 -3.523 3.393 -13.052 182 HB3 LYS 968 1HB LYS 968 -1.853 2.953 -13.380 183 HG2 LYS 968 2HG LYS 968 -1.598 2.003 -11.187 184 HG3 LYS 968 1HG LYS 968 -3.169 2.620 -10.669 185 HD2 LYS 968 2HD LYS 968 -4.271 1.228 -12.400 186 HD3 LYS 968 1HD LYS 968 -2.698 0.597 -12.881 187 HE2 LYS 968 2HE LYS 968 -3.839 -0.974 -11.372 188 HE3 LYS 968 1HE LYS 968 -2.383 -0.339 -10.614 189 HZ1 LYS 968 3HZ LYS 968 -4.554 1.369 -10.065 190 HZ2 LYS 968 1HZ LYS 968 -3.604 0.484 -8.976 191 HZ3 LYS 968 2HZ LYS 968 -4.988 -0.224 -9.661 192 H GLU 969 H GLU 969 -4.548 3.993 -11.692 193 HA GLU 969 HA GLU 969 -4.807 5.609 -9.247 194 HB2 GLU 969 2HB GLU 969 -7.073 6.413 -10.241 195 HB3 GLU 969 1HB GLU 969 -5.592 7.224 -10.741 196 HG2 GLU 969 2HG GLU 969 -6.665 4.870 -12.291 197 HG3 GLU 969 1HG GLU 969 -7.271 6.499 -12.581 198 H MET 970 H MET 970 -5.929 4.635 -7.728 199 HA MET 970 HA MET 970 -7.999 2.664 -8.416 200 HB2 MET 970 2HB MET 970 -7.058 1.227 -6.473 201 HB3 MET 970 1HB MET 970 -6.255 1.134 -8.038 202 HG2 MET 970 2HG MET 970 -4.606 2.847 -7.243 203 HG3 MET 970 1HG MET 970 -5.367 2.776 -5.655 204 HE1 MET 970 3HE MET 970 -5.780 0.104 -4.508 205 HE2 MET 970 1HE MET 970 -4.751 1.409 -3.908 206 HE3 MET 970 2HE MET 970 -4.143 -0.242 -3.970 207 H THR 971 H THR 971 -9.620 2.490 -6.843 208 HA THR 971 HA THR 971 -9.915 4.833 -5.194 209 HB THR 971 HB THR 971 -12.128 3.941 -4.688 210 HG1 THR 971 HG1 THR 971 -10.898 1.640 -5.509 211 HG21 THR 971 3HG2 THR 971 -11.282 3.654 -7.581 212 HG22 THR 971 1HG2 THR 971 -11.864 5.121 -6.791 213 HG23 THR 971 2HG2 THR 971 -12.956 3.757 -7.036 214 H VAL 972 H VAL 972 -10.778 4.603 -2.946 215 HA VAL 972 HA VAL 972 -8.849 3.415 -1.259 216 HB VAL 972 HB VAL 972 -11.573 4.637 -0.796 217 HG11 VAL 972 1HG1 VAL 972 -9.820 3.138 1.134 218 HG12 VAL 972 2HG1 VAL 972 -11.575 3.154 1.015 219 HG13 VAL 972 3HG1 VAL 972 -10.730 4.535 1.710 220 HG21 VAL 972 3HG2 VAL 972 -9.576 6.056 -1.358 221 HG22 VAL 972 1HG2 VAL 972 -8.794 5.453 0.102 222 HG23 VAL 972 2HG2 VAL 972 -10.266 6.414 0.222 223 H GLN 973 H GLN 973 -12.158 2.455 -2.150 224 HA GLN 973 HA GLN 973 -12.456 0.266 -0.468 225 HB2 GLN 973 2HB GLN 973 -14.296 1.120 -1.824 226 HB3 GLN 973 1HB GLN 973 -13.469 0.631 -3.302 227 HG2 GLN 973 2HG GLN 973 -13.627 -1.715 -2.675 228 HG3 GLN 973 1HG GLN 973 -14.305 -1.286 -1.106 229 HE21 GLN 973 1HE2 GLN 973 -15.026 -0.385 -4.536 230 HE22 GLN 973 2HE2 GLN 973 -16.697 -0.661 -4.402 231 H GLN 974 H GLN 974 -10.859 0.478 -3.629 232 HA GLN 974 HA GLN 974 -10.346 -2.279 -3.972 233 HB2 GLN 974 2HB GLN 974 -9.142 0.267 -5.020 234 HB3 GLN 974 1HB GLN 974 -8.321 -1.259 -5.335 235 HG2 GLN 974 2HG GLN 974 -9.980 -0.481 -7.109 236 HG3 GLN 974 1HG GLN 974 -10.183 -2.130 -6.533 237 HE21 GLN 974 1HE2 GLN 974 -11.989 0.450 -7.412 238 HE22 GLN 974 2HE2 GLN 974 -13.316 0.267 -6.372 239 H PHE 975 H PHE 975 -8.494 0.295 -2.379 240 HA PHE 975 HA PHE 975 -6.232 -1.262 -1.733 241 HB2 PHE 975 2HB PHE 975 -6.049 1.105 -1.553 242 HB3 PHE 975 1HB PHE 975 -7.421 1.206 -0.453 243 HD1 PHE 975 HD1 PHE 975 -4.029 -0.375 -0.762 244 HD2 PHE 975 HD2 PHE 975 -7.039 1.201 1.864 245 HE1 PHE 975 HE1 PHE 975 -2.492 -0.653 1.167 246 HE2 PHE 975 HE2 PHE 975 -5.503 0.930 3.790 247 HZ PHE 975 HZ PHE 975 -3.231 0.001 3.441 248 H LEU 976 H LEU 976 -9.230 -0.613 0.083 249 HA LEU 976 HA LEU 976 -8.481 -2.073 2.377 250 HB2 LEU 976 2HB LEU 976 -11.236 -1.511 1.269 251 HB3 LEU 976 1HB LEU 976 -10.905 -2.117 2.892 252 HG LEU 976 HG LEU 976 -9.933 0.530 1.765 253 HD11 LEU 976 1HD1 LEU 976 -11.908 -0.001 3.983 254 HD12 LEU 976 2HD1 LEU 976 -12.404 0.288 2.313 255 HD13 LEU 976 3HD1 LEU 976 -11.554 1.547 3.215 256 HD21 LEU 976 3HD2 LEU 976 -9.469 0.845 4.345 257 HD22 LEU 976 1HD2 LEU 976 -8.297 -0.033 3.366 258 HD23 LEU 976 2HD2 LEU 976 -9.447 -0.914 4.366 259 H ASP 977 H ASP 977 -9.931 -3.038 -0.674 260 HA ASP 977 HA ASP 977 -10.522 -5.706 0.157 261 HB2 ASP 977 2HB ASP 977 -11.442 -4.536 -1.908 262 HB3 ASP 977 1HB ASP 977 -9.874 -4.815 -2.660 263 H LEU 978 H LEU 978 -7.726 -4.046 -1.174 264 HA LEU 978 HA LEU 978 -6.150 -6.330 -1.739 265 HB2 LEU 978 2HB LEU 978 -5.651 -4.206 -2.766 266 HB3 LEU 978 1HB LEU 978 -5.385 -3.459 -1.198 267 HG LEU 978 HG LEU 978 -3.431 -4.876 -0.807 268 HD11 LEU 978 1HD1 LEU 978 -2.647 -6.253 -2.862 269 HD12 LEU 978 2HD1 LEU 978 -4.328 -6.162 -3.385 270 HD13 LEU 978 3HD1 LEU 978 -3.917 -6.937 -1.854 271 HD21 LEU 978 3HD2 LEU 978 -2.919 -2.843 -1.934 272 HD22 LEU 978 1HD2 LEU 978 -3.563 -3.440 -3.463 273 HD23 LEU 978 2HD2 LEU 978 -2.056 -4.096 -2.823 274 H LYS 979 H LYS 979 -6.267 -4.184 1.135 275 HA LYS 979 HA LYS 979 -4.159 -5.534 2.481 276 HB2 LYS 979 2HB LYS 979 -4.631 -4.139 4.307 277 HB3 LYS 979 1HB LYS 979 -5.189 -3.174 2.941 278 HG2 LYS 979 2HG LYS 979 -7.485 -4.081 3.335 279 HG3 LYS 979 1HG LYS 979 -6.899 -4.858 4.785 280 HD2 LYS 979 2HD LYS 979 -6.125 -2.534 5.533 281 HD3 LYS 979 1HD LYS 979 -7.097 -1.903 4.198 282 HE2 LYS 979 2HE LYS 979 -9.078 -3.077 5.103 283 HE3 LYS 979 1HE LYS 979 -8.109 -3.647 6.458 284 HZ1 LYS 979 3HZ LYS 979 -8.279 -0.770 5.842 285 HZ2 LYS 979 1HZ LYS 979 -7.888 -1.524 7.311 286 HZ3 LYS 979 2HZ LYS 979 -9.493 -1.530 6.754 287 H GLU 980 H GLU 980 -7.698 -5.835 2.565 288 HA GLU 980 HA GLU 980 -7.871 -7.738 4.605 289 HB2 GLU 980 2HB GLU 980 -9.834 -6.614 3.613 290 HB3 GLU 980 1HB GLU 980 -9.591 -7.517 2.119 291 HG2 GLU 980 2HG GLU 980 -9.949 -9.630 3.295 292 HG3 GLU 980 1HG GLU 980 -10.093 -8.777 4.831 293 H ARG 981 H ARG 981 -7.587 -8.256 1.082 294 HA ARG 981 HA ARG 981 -7.492 -11.070 1.199 295 HB2 ARG 981 2HB ARG 981 -6.464 -9.093 -0.832 296 HB3 ARG 981 1HB ARG 981 -6.371 -10.838 -1.068 297 HG2 ARG 981 2HG ARG 981 -8.810 -11.021 -0.820 298 HG3 ARG 981 1HG ARG 981 -8.921 -9.282 -0.535 299 HD2 ARG 981 2HD ARG 981 -8.049 -8.825 -2.768 300 HD3 ARG 981 1HD ARG 981 -7.806 -10.546 -3.055 301 HE ARG 981 HE ARG 981 -10.497 -10.231 -2.425 302 HH11 ARG 981 1HH2 ARG 981 -8.243 -9.095 -4.793 303 HH12 ARG 981 2HH2 ARG 981 -9.424 -8.965 -6.053 304 HH21 ARG 981 1HH1 ARG 981 -12.050 -10.064 -4.073 305 HH22 ARG 981 2HH1 ARG 981 -11.578 -9.515 -5.645 306 H ALA 982 H ALA 982 -4.838 -8.678 1.075 307 HA ALA 982 HA ALA 982 -2.751 -10.569 1.035 308 HB1 ALA 982 3HB ALA 982 -1.286 -8.762 1.417 309 HB2 ALA 982 1HB ALA 982 -2.505 -7.854 2.305 310 HB3 ALA 982 2HB ALA 982 -2.654 -8.051 0.576 311 H LEU 983 H LEU 983 -4.155 -8.760 3.753 312 HA LEU 983 HA LEU 983 -2.496 -9.920 5.694 313 HB2 LEU 983 2HB LEU 983 -5.071 -8.391 5.765 314 HB3 LEU 983 1HB LEU 983 -4.547 -9.206 7.229 315 HG LEU 983 HG LEU 983 -2.484 -7.981 7.281 316 HD11 LEU 983 1HD1 LEU 983 -3.234 -7.072 4.511 317 HD12 LEU 983 2HD1 LEU 983 -1.748 -7.837 5.044 318 HD13 LEU 983 3HD1 LEU 983 -2.092 -6.170 5.493 319 HD21 LEU 983 3HD2 LEU 983 -4.185 -6.688 8.276 320 HD22 LEU 983 1HD2 LEU 983 -4.933 -6.307 6.725 321 HD23 LEU 983 2HD2 LEU 983 -3.405 -5.559 7.172 322 H SER 984 H SER 984 -5.372 -11.021 4.102 323 HA SER 984 HA SER 984 -6.003 -13.059 6.049 324 HB2 SER 984 2HB SER 984 -7.629 -13.830 4.384 325 HB3 SER 984 1HB SER 984 -7.744 -12.086 4.601 326 HG SER 984 HG SER 984 -6.776 -11.779 2.683 327 H GLY 985 H GLY 985 -3.484 -12.717 3.971 328 HA2 GLY 985 2HA GLY 985 -1.769 -14.299 3.671 329 HA3 GLY 985 1HA GLY 985 -2.915 -15.589 4.011 330 H ALA 986 H ALA 986 -3.673 -13.065 1.695 331 HA ALA 986 HA ALA 986 -4.207 -14.949 -0.365 332 HB1 ALA 986 3HB ALA 986 -3.817 -11.954 -0.496 333 HB2 ALA 986 1HB ALA 986 -5.334 -12.824 -0.371 334 HB3 ALA 986 2HB ALA 986 -4.383 -12.949 -1.838 335 H SER 987 H SER 987 -3.071 -15.550 -2.138 336 HA SER 987 HA SER 987 -0.189 -14.987 -2.077 337 HB2 SER 987 2HB SER 987 -1.733 -17.067 -3.645 338 HB3 SER 987 1HB SER 987 0.020 -16.923 -3.565 339 HG SER 987 HG SER 987 -1.670 -18.117 -1.855 340 H ASP 988 H ASP 988 -2.921 -13.823 -3.530 341 HA ASP 988 HA ASP 988 -2.508 -13.533 -6.200 342 HB2 ASP 988 2HB ASP 988 -3.434 -11.503 -4.170 343 HB3 ASP 988 1HB ASP 988 -3.458 -11.176 -5.900 344 HA PRO 989 HA PRO 989 1.397 -11.505 -6.747 345 HB2 PRO 989 2HB PRO 989 0.848 -9.841 -8.907 346 HB3 PRO 989 1HB PRO 989 1.177 -11.578 -9.045 347 HG2 PRO 989 2HG PRO 989 -1.452 -10.155 -8.995 348 HG3 PRO 989 1HG PRO 989 -0.920 -11.504 -10.019 349 HD2 PRO 989 2HD PRO 989 -2.511 -11.924 -7.887 350 HD3 PRO 989 1HD PRO 989 -1.239 -13.089 -8.328 351 H ASP 990 H ASP 990 -1.526 -9.568 -6.629 352 HA ASP 990 HA ASP 990 -0.339 -7.051 -6.100 353 HB2 ASP 990 2HB ASP 990 -3.077 -8.180 -5.507 354 HB3 ASP 990 1HB ASP 990 -2.626 -6.514 -5.160 355 H SER 991 H SER 991 -1.522 -9.650 -3.983 356 HA SER 991 HA SER 991 -1.203 -8.297 -1.527 357 HB2 SER 991 2HB SER 991 -2.510 -10.227 -1.424 358 HB3 SER 991 1HB SER 991 -1.330 -11.196 -2.309 359 HG SER 991 HG SER 991 -0.191 -11.448 -0.519 360 H GLN 992 H GLN 992 1.020 -10.623 -3.135 361 HA GLN 992 HA GLN 992 3.006 -10.325 -1.120 362 HB2 GLN 992 2HB GLN 992 4.503 -11.522 -2.655 363 HB3 GLN 992 1HB GLN 992 2.939 -12.317 -2.524 364 HG2 GLN 992 2HG GLN 992 3.122 -12.332 -4.824 365 HG3 GLN 992 1HG GLN 992 2.388 -10.743 -4.636 366 HE21 GLN 992 1HE2 GLN 992 5.211 -9.970 -3.380 367 HE22 GLN 992 2HE2 GLN 992 6.134 -9.642 -4.765 368 H ARG 993 H ARG 993 2.401 -8.707 -4.198 369 HA ARG 993 HA ARG 993 4.822 -7.224 -4.296 370 HB2 ARG 993 2HB ARG 993 2.063 -6.740 -5.423 371 HB3 ARG 993 1HB ARG 993 3.389 -5.606 -5.684 372 HG2 ARG 993 2HG ARG 993 3.813 -8.527 -6.286 373 HG3 ARG 993 1HG ARG 993 2.925 -7.535 -7.441 374 HD2 ARG 993 2HD ARG 993 4.868 -5.927 -7.434 375 HD3 ARG 993 1HD ARG 993 5.749 -7.077 -6.433 376 HE ARG 993 HE ARG 993 5.980 -8.479 -8.295 377 HH11 ARG 993 1HH2 ARG 993 3.875 -5.801 -8.926 378 HH12 ARG 993 2HH2 ARG 993 3.806 -6.083 -10.633 379 HH21 ARG 993 1HH1 ARG 993 5.891 -8.850 -10.531 380 HH22 ARG 993 2HH1 ARG 993 4.941 -7.811 -11.542 381 H TYR 994 H TYR 994 1.681 -6.691 -2.798 382 HA TYR 994 HA TYR 994 2.083 -4.054 -1.905 383 HB2 TYR 994 2HB TYR 994 -0.126 -5.057 -1.921 384 HB3 TYR 994 1HB TYR 994 0.382 -6.286 -0.765 385 HD1 TYR 994 HD1 TYR 994 0.528 -2.542 -1.089 386 HD2 TYR 994 HD2 TYR 994 -0.273 -5.910 1.449 387 HE1 TYR 994 HE1 TYR 994 -0.078 -1.004 0.755 388 HE2 TYR 994 HE2 TYR 994 -0.876 -4.370 3.299 389 HH TYR 994 HH TYR 994 -0.073 -1.604 3.722 390 H ASN 995 H ASN 995 2.723 -7.198 -0.397 391 HA ASN 995 HA ASN 995 3.668 -6.220 2.079 392 HB2 ASN 995 2HB ASN 995 4.161 -8.750 0.513 393 HB3 ASN 995 1HB ASN 995 4.968 -8.458 2.052 394 HD21 ASN 995 1HD2 ASN 995 1.979 -9.441 0.583 395 HD22 ASN 995 2HD2 ASN 995 1.078 -9.576 2.017 396 H ALA 996 H ALA 996 5.260 -6.881 -1.013 397 HA ALA 996 HA ALA 996 7.909 -6.325 -0.178 398 HB1 ALA 996 3HB ALA 996 6.763 -5.847 -2.911 399 HB2 ALA 996 1HB ALA 996 7.232 -7.443 -2.345 400 HB3 ALA 996 2HB ALA 996 8.437 -6.160 -2.510 401 H TRP 997 H TRP 997 5.409 -4.295 -1.688 402 HA TRP 997 HA TRP 997 6.900 -1.973 -1.945 403 HB2 TRP 997 2HB TRP 997 4.702 -2.121 -2.946 404 HB3 TRP 997 1HB TRP 997 3.948 -2.332 -1.367 405 HD1 TRP 997 HD TRP 997 6.104 0.314 -3.202 406 HE1 TRP 997 HE1 TRP 997 5.337 2.646 -2.411 407 HE3 TRP 997 HE3 TRP 997 2.606 -1.035 0.262 408 HZ2 TRP 997 HZ2 TRP 997 3.484 3.789 -0.556 409 HZ3 TRP 997 HZ3 TRP 997 1.353 0.691 1.525 410 HH2 TRP 997 HH TRP 997 1.786 3.098 1.121 411 H LEU 998 H LEU 998 5.089 -3.264 0.803 412 HA LEU 998 HA LEU 998 5.526 -1.071 2.547 413 HB2 LEU 998 2HB LEU 998 4.998 -4.002 3.082 414 HB3 LEU 998 1HB LEU 998 5.113 -2.798 4.360 415 HG LEU 998 HG LEU 998 3.197 -2.541 2.023 416 HD11 LEU 998 1HD1 LEU 998 2.462 -4.511 3.114 417 HD12 LEU 998 2HD1 LEU 998 1.478 -3.231 3.820 418 HD13 LEU 998 3HD1 LEU 998 2.855 -3.876 4.712 419 HD21 LEU 998 3HD2 LEU 998 3.379 -0.412 3.013 420 HD22 LEU 998 1HD2 LEU 998 3.629 -1.069 4.629 421 HD23 LEU 998 2HD2 LEU 998 2.027 -1.101 3.901 422 H GLU 999 H GLU 999 7.341 -3.987 1.756 423 HA GLU 999 HA GLU 999 9.356 -3.731 3.727 424 HB2 GLU 999 2HB GLU 999 8.967 -5.791 2.377 425 HB3 GLU 999 1HB GLU 999 9.596 -4.960 0.956 426 HG2 GLU 999 2HG GLU 999 11.746 -4.601 2.118 427 HG3 GLU 999 1HG GLU 999 11.116 -5.435 3.539 428 H LEU1000 H LEU1000 9.107 -2.494 0.396 429 HA LEU1000 HA LEU1000 11.674 -1.333 0.231 430 HB2 LEU1000 2HB LEU1000 9.081 -0.398 -1.035 431 HB3 LEU1000 1HB LEU1000 10.693 0.118 -1.516 432 HG LEU1000 HG LEU1000 9.642 -2.719 -1.630 433 HD11 LEU1000 1HD1 LEU1000 10.267 -0.750 -3.844 434 HD12 LEU1000 2HD1 LEU1000 8.650 -1.227 -3.323 435 HD13 LEU1000 3HD1 LEU1000 9.722 -2.412 -4.063 436 HD21 LEU1000 3HD2 LEU1000 12.340 -1.504 -2.150 437 HD22 LEU1000 1HD2 LEU1000 11.826 -2.905 -3.088 438 HD23 LEU1000 2HD2 LEU1000 11.932 -3.016 -1.336 439 H ARG1001 H ARG1001 8.572 -0.110 1.347 440 HA ARG1001 HA ARG1001 9.381 2.513 1.980 441 HB2 ARG1001 2HB ARG1001 7.049 1.918 1.798 442 HB3 ARG1001 1HB ARG1001 7.198 0.742 3.098 443 HG2 ARG1001 2HG ARG1001 7.602 2.455 4.718 444 HG3 ARG1001 1HG ARG1001 7.786 3.673 3.463 445 HD2 ARG1001 2HD ARG1001 5.395 3.274 2.806 446 HD3 ARG1001 1HD ARG1001 5.262 2.149 4.156 447 HE ARG1001 HE ARG1001 5.253 3.968 5.637 448 HH11 ARG1001 1HH2 ARG1001 5.962 4.931 2.388 449 HH12 ARG1001 2HH2 ARG1001 5.763 6.623 2.700 450 HH21 ARG1001 1HH1 ARG1001 4.981 6.186 6.050 451 HH22 ARG1001 2HH1 ARG1001 5.200 7.333 4.770 452 H ALA1002 H ALA1002 9.273 -0.454 3.874 453 HA ALA1002 HA ALA1002 9.945 0.606 6.355 454 HB1 ALA1002 3HB ALA1002 10.981 -1.726 6.733 455 HB2 ALA1002 1HB ALA1002 10.452 -2.087 5.089 456 HB3 ALA1002 2HB ALA1002 9.267 -1.668 6.325 457 H LYS1003 H LYS1003 11.857 -0.211 3.546 458 HA LYS1003 HA LYS1003 14.396 0.110 4.858 459 HB2 LYS1003 2HB LYS1003 13.649 0.034 1.931 460 HB3 LYS1003 1HB LYS1003 15.308 0.150 2.513 461 HG2 LYS1003 2HG LYS1003 14.773 -1.954 3.912 462 HG3 LYS1003 1HG LYS1003 13.349 -2.116 2.906 463 HD2 LYS1003 2HD LYS1003 16.149 -1.892 1.771 464 HD3 LYS1003 1HD LYS1003 15.358 -3.428 2.105 465 HE2 LYS1003 2HE LYS1003 13.473 -2.723 0.617 466 HE3 LYS1003 1HE LYS1003 14.400 -1.285 0.187 467 HZ1 LYS1003 3HZ LYS1003 15.008 -4.114 -0.387 468 HZ2 LYS1003 1HZ LYS1003 16.232 -2.938 -0.400 469 HZ3 LYS1003 2HZ LYS1003 14.915 -2.803 -1.463 470 H ARG1004 H ARG1004 12.362 2.198 2.807 471 HA ARG1004 HA ARG1004 14.189 4.456 3.418 472 HB2 ARG1004 2HB ARG1004 13.277 5.575 1.487 473 HB3 ARG1004 1HB ARG1004 13.789 3.962 1.022 474 HG2 ARG1004 2HG ARG1004 11.436 3.192 1.216 475 HG3 ARG1004 1HG ARG1004 10.948 4.847 1.567 476 HD2 ARG1004 2HD ARG1004 11.913 5.578 -0.588 477 HD3 ARG1004 1HD ARG1004 12.340 3.910 -0.949 478 HE ARG1004 HE ARG1004 10.080 3.452 -1.376 479 HH11 ARG1004 1HH2 ARG1004 10.548 6.602 -0.017 480 HH12 ARG1004 2HH2 ARG1004 8.942 7.143 -0.367 481 HH21 ARG1004 1HH1 ARG1004 7.966 4.159 -1.838 482 HH22 ARG1004 2HH1 ARG1004 7.480 5.761 -1.395 483 H LEU1005 H LEU1005 13.601 5.857 4.896 484 HA LEU1005 HA LEU1005 10.736 6.081 5.643 485 HB2 LEU1005 2HB LEU1005 13.294 6.349 7.219 486 HB3 LEU1005 1HB LEU1005 11.811 7.116 7.783 487 HG LEU1005 HG LEU1005 10.652 4.959 7.775 488 HD11 LEU1005 1HD1 LEU1005 11.525 3.618 6.101 489 HD12 LEU1005 2HD1 LEU1005 12.331 2.911 7.498 490 HD13 LEU1005 3HD1 LEU1005 13.198 4.049 6.465 491 HD21 LEU1005 3HD2 LEU1005 13.338 4.934 9.194 492 HD22 LEU1005 1HD2 LEU1005 12.007 3.839 9.565 493 HD23 LEU1005 2HD2 LEU1005 11.818 5.574 9.823 494 H SER1006 H SER1006 9.756 8.047 5.648 495 HA SER1006 HA SER1006 9.373 10.201 4.916 496 HB2 SER1006 2HB SER1006 10.398 10.685 7.065 497 HB3 SER1006 1HB SER1006 12.007 10.541 6.364 498 HG SER1006 HG SER1006 11.699 12.390 5.260 Start of MODEL 8 1 HA2 GLY 945 2HA GLY 945 -16.550 6.439 -3.002 2 HA3 GLY 945 1HA GLY 945 -14.789 6.421 -2.922 3 H ALA 946 H ALA 946 -17.334 6.606 -0.422 4 HA ALA 946 HA ALA 946 -16.862 3.971 0.565 5 HB1 ALA 946 3HB ALA 946 -15.746 4.518 2.654 6 HB2 ALA 946 1HB ALA 946 -15.712 6.228 2.220 7 HB3 ALA 946 2HB ALA 946 -14.756 5.065 1.300 8 H MET 947 H MET 947 -17.993 7.250 1.210 9 HA MET 947 HA MET 947 -19.764 8.042 2.465 10 HB2 MET 947 2HB MET 947 -20.914 5.553 1.197 11 HB3 MET 947 1HB MET 947 -21.892 6.722 2.085 12 HG2 MET 947 2HG MET 947 -21.098 8.509 0.543 13 HG3 MET 947 1HG MET 947 -20.206 7.293 -0.370 14 HE1 MET 947 3HE MET 947 -22.819 7.674 -2.981 15 HE2 MET 947 1HE MET 947 -21.158 7.905 -2.420 16 HE3 MET 947 2HE MET 947 -22.410 9.067 -1.983 17 H ALA 948 H ALA 948 -17.921 6.668 4.027 18 HA ALA 948 HA ALA 948 -19.589 5.897 6.263 19 HB1 ALA 948 3HB ALA 948 -18.445 3.691 6.560 20 HB2 ALA 948 1HB ALA 948 -17.744 3.886 4.954 21 HB3 ALA 948 2HB ALA 948 -19.492 3.753 5.143 22 H ILE 949 H ILE 949 -16.332 4.693 5.825 23 HA ILE 949 HA ILE 949 -15.392 6.541 7.931 24 HB ILE 949 HB ILE 949 -13.950 4.142 6.790 25 HG12 ILE 949 2HG1 ILE 949 -16.058 3.347 7.664 26 HG13 ILE 949 1HG1 ILE 949 -14.794 2.962 8.827 27 HG21 ILE 949 1HG2 ILE 949 -13.704 5.504 9.484 28 HG22 ILE 949 2HG2 ILE 949 -12.682 5.899 8.106 29 HG23 ILE 949 3HG2 ILE 949 -12.633 4.280 8.803 30 HD11 ILE 949 3HD1 ILE 949 -16.444 3.848 10.216 31 HD12 ILE 949 1HD1 ILE 949 -16.974 5.020 9.013 32 HD13 ILE 949 2HD1 ILE 949 -15.472 5.280 9.899 33 H ALA 950 H ALA 950 -14.052 8.164 7.466 34 HA ALA 950 HA ALA 950 -13.133 8.506 4.713 35 HB1 ALA 950 3HB ALA 950 -12.689 10.331 7.084 36 HB2 ALA 950 1HB ALA 950 -14.138 10.379 6.081 37 HB3 ALA 950 2HB ALA 950 -12.561 10.742 5.375 38 H LEU 951 H LEU 951 -12.012 6.402 6.547 39 HA LEU 951 HA LEU 951 -9.958 5.550 7.155 40 HB2 LEU 951 2HB LEU 951 -9.582 7.044 4.623 41 HB3 LEU 951 1HB LEU 951 -8.090 6.712 5.497 42 HG LEU 951 HG LEU 951 -8.652 4.313 5.549 43 HD11 LEU 951 1HD1 LEU 951 -11.004 4.195 5.593 44 HD12 LEU 951 2HD1 LEU 951 -10.616 3.650 3.963 45 HD13 LEU 951 3HD1 LEU 951 -11.179 5.300 4.231 46 HD21 LEU 951 3HD2 LEU 951 -8.481 3.904 3.080 47 HD22 LEU 951 1HD2 LEU 951 -7.359 5.138 3.652 48 HD23 LEU 951 2HD2 LEU 951 -8.836 5.611 2.815 49 H ARG 952 H ARG 952 -7.663 6.170 7.808 50 HA ARG 952 HA ARG 952 -7.841 8.472 9.614 51 HB2 ARG 952 2HB ARG 952 -5.880 6.179 9.384 52 HB3 ARG 952 1HB ARG 952 -5.711 7.499 10.542 53 HG2 ARG 952 2HG ARG 952 -7.915 6.953 11.498 54 HG3 ARG 952 1HG ARG 952 -8.095 5.636 10.337 55 HD2 ARG 952 2HD ARG 952 -6.100 4.533 11.257 56 HD3 ARG 952 1HD ARG 952 -5.877 5.861 12.391 57 HE ARG 952 HE ARG 952 -8.464 4.862 12.777 58 HH11 ARG 952 1HH2 ARG 952 -5.171 3.828 13.000 59 HH12 ARG 952 2HH2 ARG 952 -5.456 2.724 14.303 60 HH21 ARG 952 1HH1 ARG 952 -8.848 3.423 14.500 61 HH22 ARG 952 2HH1 ARG 952 -7.539 2.495 15.151 62 H ASP 953 H ASP 953 -5.802 9.783 9.887 63 HA ASP 953 HA ASP 953 -5.163 11.092 7.477 64 HB2 ASP 953 2HB ASP 953 -3.804 11.110 10.179 65 HB3 ASP 953 1HB ASP 953 -3.335 12.164 8.845 66 H ASP 954 H ASP 954 -3.431 8.599 9.324 67 HA ASP 954 HA ASP 954 -1.120 8.647 7.630 68 HB2 ASP 954 2HB ASP 954 -0.556 6.506 8.773 69 HB3 ASP 954 1HB ASP 954 -0.907 7.820 9.891 70 H GLU 955 H GLU 955 -4.004 6.604 7.860 71 HA GLU 955 HA GLU 955 -3.293 4.766 5.841 72 HB2 GLU 955 2HB GLU 955 -6.006 5.667 6.834 73 HB3 GLU 955 1HB GLU 955 -5.736 4.286 5.770 74 HG2 GLU 955 2HG GLU 955 -4.415 4.597 8.479 75 HG3 GLU 955 1HG GLU 955 -5.900 3.689 8.217 76 H TYR 956 H TYR 956 -5.065 7.839 5.725 77 HA TYR 956 HA TYR 956 -5.859 7.710 3.024 78 HB2 TYR 956 2HB TYR 956 -6.747 9.402 4.566 79 HB3 TYR 956 1HB TYR 956 -5.147 10.132 4.707 80 HD1 TYR 956 HD2 TYR 956 -4.113 11.300 2.785 81 HD2 TYR 956 HD1 TYR 956 -8.103 9.719 2.591 82 HE1 TYR 956 HE2 TYR 956 -4.554 12.656 0.753 83 HE2 TYR 956 HE1 TYR 956 -8.546 11.080 0.566 84 HH TYR 956 HH TYR 956 -7.305 12.168 -1.223 85 H ASP 957 H ASP 957 -2.940 8.975 4.578 86 HA ASP 957 HA ASP 957 -1.685 9.952 2.245 87 HB2 ASP 957 2HB ASP 957 -1.009 10.488 4.597 88 HB3 ASP 957 1HB ASP 957 -0.336 8.863 4.728 89 H GLU 958 H GLU 958 -1.602 6.788 3.848 90 HA GLU 958 HA GLU 958 0.357 5.622 2.168 91 HB2 GLU 958 2HB GLU 958 -1.747 4.591 4.040 92 HB3 GLU 958 1HB GLU 958 -1.015 3.446 2.918 93 HG2 GLU 958 2HG GLU 958 0.256 3.389 4.967 94 HG3 GLU 958 1HG GLU 958 1.247 4.185 3.749 95 H TRP 959 H TRP 959 -3.156 5.928 1.918 96 HA TRP 959 HA TRP 959 -3.501 4.209 -0.294 97 HB2 TRP 959 2HB TRP 959 -5.427 4.824 0.960 98 HB3 TRP 959 1HB TRP 959 -5.094 6.540 0.771 99 HD1 TRP 959 HD TRP 959 -5.540 3.608 -1.750 100 HE1 TRP 959 HE1 TRP 959 -7.160 4.414 -3.593 101 HE3 TRP 959 HE3 TRP 959 -6.477 8.328 -0.079 102 HZ2 TRP 959 HZ2 TRP 959 -8.661 6.761 -4.261 103 HZ3 TRP 959 HZ3 TRP 959 -8.000 9.834 -1.334 104 HH2 TRP 959 HH TRP 959 -9.090 9.058 -3.418 105 H GLN 960 H GLN 960 -3.028 7.758 -0.125 106 HA GLN 960 HA GLN 960 -3.061 8.109 -2.941 107 HB2 GLN 960 2HB GLN 960 -1.892 9.775 -0.710 108 HB3 GLN 960 1HB GLN 960 -1.848 10.275 -2.400 109 HG2 GLN 960 2HG GLN 960 -4.391 9.557 -0.913 110 HG3 GLN 960 1HG GLN 960 -3.798 11.203 -1.110 111 HE21 GLN 960 1HE2 GLN 960 -5.903 8.990 -2.490 112 HE22 GLN 960 2HE2 GLN 960 -5.955 9.630 -4.062 113 H ASP 961 H ASP 961 -0.495 7.449 -0.642 114 HA ASP 961 HA ASP 961 1.668 7.801 -2.442 115 HB2 ASP 961 2HB ASP 961 1.317 6.463 0.225 116 HB3 ASP 961 1HB ASP 961 2.797 6.172 -0.682 117 H ILE 962 H ILE 962 -0.383 5.008 -1.678 118 HA ILE 962 HA ILE 962 1.268 3.169 -3.098 119 HB ILE 962 HB ILE 962 -0.797 2.823 -1.354 120 HG12 ILE 962 2HG1 ILE 962 0.143 0.919 -3.518 121 HG13 ILE 962 1HG1 ILE 962 0.820 1.102 -1.909 122 HG21 ILE 962 1HG2 ILE 962 -2.438 3.556 -3.129 123 HG22 ILE 962 2HG2 ILE 962 -2.771 1.972 -2.467 124 HG23 ILE 962 3HG2 ILE 962 -2.004 2.135 -4.044 125 HD11 ILE 962 3HD1 ILE 962 -0.577 -0.846 -1.848 126 HD12 ILE 962 1HD1 ILE 962 -1.902 -0.002 -2.644 127 HD13 ILE 962 2HD1 ILE 962 -1.448 0.424 -0.995 128 H ILE 963 H ILE 963 -1.477 5.218 -3.901 129 HA ILE 963 HA ILE 963 -1.922 4.292 -6.532 130 HB ILE 963 HB ILE 963 -2.377 6.985 -5.236 131 HG12 ILE 963 2HG1 ILE 963 -4.254 4.768 -6.061 132 HG13 ILE 963 1HG1 ILE 963 -3.656 5.014 -4.434 133 HG21 ILE 963 1HG2 ILE 963 -2.247 7.568 -7.508 134 HG22 ILE 963 2HG2 ILE 963 -3.965 7.236 -7.300 135 HG23 ILE 963 3HG2 ILE 963 -2.915 6.031 -8.040 136 HD11 ILE 963 3HD1 ILE 963 -4.970 6.874 -4.071 137 HD12 ILE 963 1HD1 ILE 963 -6.001 5.999 -5.203 138 HD13 ILE 963 2HD1 ILE 963 -4.995 7.331 -5.775 139 H ARG 964 H ARG 964 0.208 6.769 -5.202 140 HA ARG 964 HA ARG 964 1.233 7.779 -7.613 141 HB2 ARG 964 2HB ARG 964 1.615 8.742 -5.320 142 HB3 ARG 964 1HB ARG 964 2.746 7.424 -5.014 143 HG2 ARG 964 2HG ARG 964 4.077 8.136 -6.994 144 HG3 ARG 964 1HG ARG 964 2.976 9.495 -7.216 145 HD2 ARG 964 2HD ARG 964 4.868 10.319 -5.984 146 HD3 ARG 964 1HD ARG 964 3.521 10.204 -4.856 147 HE ARG 964 HE ARG 964 5.009 7.791 -4.809 148 HH11 ARG 964 1HH2 ARG 964 5.117 11.122 -3.874 149 HH12 ARG 964 2HH2 ARG 964 6.216 10.858 -2.561 150 HH21 ARG 964 1HH1 ARG 964 6.442 7.440 -3.082 151 HH22 ARG 964 2HH1 ARG 964 6.976 8.781 -2.122 152 H ASP 965 H ASP 965 2.178 5.031 -5.596 153 HA ASP 965 HA ASP 965 4.490 4.276 -7.038 154 HB2 ASP 965 2HB ASP 965 3.860 3.517 -4.731 155 HB3 ASP 965 1HB ASP 965 2.671 2.448 -5.473 156 H TRP 966 H TRP 966 1.087 3.139 -7.366 157 HA TRP 966 HA TRP 966 1.805 1.268 -9.437 158 HB2 TRP 966 2HB TRP 966 -0.957 2.350 -8.890 159 HB3 TRP 966 1HB TRP 966 -0.537 0.846 -9.701 160 HD1 TRP 966 HD TRP 966 -1.801 1.962 -6.577 161 HE1 TRP 966 HE1 TRP 966 -1.319 0.315 -4.661 162 HE3 TRP 966 HE3 TRP 966 1.803 -0.930 -8.771 163 HZ2 TRP 966 HZ2 TRP 966 0.375 -1.921 -4.119 164 HZ3 TRP 966 HZ3 TRP 966 2.830 -2.804 -7.530 165 HH2 TRP 966 HH TRP 966 2.122 -3.308 -5.209 166 H ARG 967 H ARG 967 1.723 4.538 -9.430 167 HA ARG 967 HA ARG 967 1.598 6.166 -11.037 168 HB2 ARG 967 2HB ARG 967 2.337 3.786 -12.751 169 HB3 ARG 967 1HB ARG 967 2.368 5.460 -13.305 170 HG2 ARG 967 2HG ARG 967 3.982 6.037 -11.548 171 HG3 ARG 967 1HG ARG 967 3.933 4.378 -10.945 172 HD2 ARG 967 2HD ARG 967 4.777 3.559 -13.108 173 HD3 ARG 967 1HD ARG 967 4.824 5.207 -13.721 174 HE ARG 967 HE ARG 967 6.353 5.225 -11.407 175 HH11 ARG 967 1HH2 ARG 967 6.301 3.583 -14.454 176 HH12 ARG 967 2HH2 ARG 967 8.014 3.326 -14.500 177 HH21 ARG 967 1HH1 ARG 967 8.601 4.890 -11.463 178 HH22 ARG 967 2HH1 ARG 967 9.312 4.059 -12.807 179 H LYS 968 H LYS 968 -0.830 4.227 -10.556 180 HA LYS 968 HA LYS 968 -2.437 5.383 -12.749 181 HB2 LYS 968 2HB LYS 968 -3.590 3.356 -13.218 182 HB3 LYS 968 1HB LYS 968 -1.875 2.947 -13.253 183 HG2 LYS 968 2HG LYS 968 -2.063 2.130 -10.902 184 HG3 LYS 968 1HG LYS 968 -3.792 2.450 -10.951 185 HD2 LYS 968 2HD LYS 968 -4.022 0.896 -12.861 186 HD3 LYS 968 1HD LYS 968 -2.294 0.543 -12.763 187 HE2 LYS 968 2HE LYS 968 -2.564 -0.299 -10.477 188 HE3 LYS 968 1HE LYS 968 -4.281 0.100 -10.519 189 HZ1 LYS 968 3HZ LYS 968 -4.398 -2.056 -11.145 190 HZ2 LYS 968 1HZ LYS 968 -2.847 -2.075 -11.832 191 HZ3 LYS 968 2HZ LYS 968 -4.142 -1.381 -12.683 192 H GLU 969 H GLU 969 -4.443 6.073 -12.122 193 HA GLU 969 HA GLU 969 -4.875 6.567 -9.371 194 HB2 GLU 969 2HB GLU 969 -7.128 7.362 -10.125 195 HB3 GLU 969 1HB GLU 969 -5.775 8.081 -10.997 196 HG2 GLU 969 2HG GLU 969 -6.086 6.437 -12.820 197 HG3 GLU 969 1HG GLU 969 -7.463 5.753 -11.957 198 H MET 970 H MET 970 -6.067 5.587 -7.843 199 HA MET 970 HA MET 970 -7.753 3.263 -8.570 200 HB2 MET 970 2HB MET 970 -5.979 3.231 -6.130 201 HB3 MET 970 1HB MET 970 -6.857 1.895 -6.861 202 HG2 MET 970 2HG MET 970 -5.366 2.369 -8.943 203 HG3 MET 970 1HG MET 970 -4.334 3.226 -7.803 204 HE1 MET 970 3HE MET 970 -3.943 2.214 -5.401 205 HE2 MET 970 1HE MET 970 -3.780 0.488 -5.051 206 HE3 MET 970 2HE MET 970 -5.378 1.212 -5.179 207 H THR 971 H THR 971 -8.798 2.528 -6.318 208 HA THR 971 HA THR 971 -9.940 4.966 -5.064 209 HB THR 971 HB THR 971 -12.009 3.611 -4.751 210 HG1 THR 971 HG1 THR 971 -12.089 1.614 -5.445 211 HG21 THR 971 3HG2 THR 971 -11.080 3.831 -7.629 212 HG22 THR 971 1HG2 THR 971 -11.722 5.168 -6.671 213 HG23 THR 971 2HG2 THR 971 -12.752 3.793 -7.072 214 H VAL 972 H VAL 972 -10.705 4.665 -2.863 215 HA VAL 972 HA VAL 972 -8.778 3.454 -1.192 216 HB VAL 972 HB VAL 972 -11.503 4.662 -0.723 217 HG11 VAL 972 1HG1 VAL 972 -9.771 3.109 1.182 218 HG12 VAL 972 2HG1 VAL 972 -11.526 3.171 1.075 219 HG13 VAL 972 3HG1 VAL 972 -10.641 4.519 1.793 220 HG21 VAL 972 3HG2 VAL 972 -9.556 6.122 -1.255 221 HG22 VAL 972 1HG2 VAL 972 -8.702 5.458 0.136 222 HG23 VAL 972 2HG2 VAL 972 -10.169 6.406 0.375 223 H GLN 973 H GLN 973 -12.065 2.481 -2.139 224 HA GLN 973 HA GLN 973 -12.378 0.281 -0.488 225 HB2 GLN 973 2HB GLN 973 -14.141 1.171 -1.985 226 HB3 GLN 973 1HB GLN 973 -13.277 0.507 -3.370 227 HG2 GLN 973 2HG GLN 973 -13.523 -1.758 -2.491 228 HG3 GLN 973 1HG GLN 973 -14.279 -1.135 -1.026 229 HE21 GLN 973 1HE2 GLN 973 -15.519 0.937 -3.167 230 HE22 GLN 973 2HE2 GLN 973 -16.893 0.083 -3.685 231 H GLN 974 H GLN 974 -10.668 0.496 -3.595 232 HA GLN 974 HA GLN 974 -10.117 -2.257 -3.901 233 HB2 GLN 974 2HB GLN 974 -9.007 0.314 -4.961 234 HB3 GLN 974 1HB GLN 974 -8.060 -1.152 -5.211 235 HG2 GLN 974 2HG GLN 974 -9.665 -0.586 -7.073 236 HG3 GLN 974 1HG GLN 974 -9.862 -2.204 -6.407 237 HE21 GLN 974 1HE2 GLN 974 -11.702 0.211 -7.562 238 HE22 GLN 974 2HE2 GLN 974 -13.059 0.090 -6.551 239 H PHE 975 H PHE 975 -8.305 0.356 -2.314 240 HA PHE 975 HA PHE 975 -6.028 -1.165 -1.635 241 HB2 PHE 975 2HB PHE 975 -5.963 1.235 -1.546 242 HB3 PHE 975 1HB PHE 975 -7.250 1.275 -0.342 243 HD1 PHE 975 HD1 PHE 975 -3.934 -0.429 -0.852 244 HD2 PHE 975 HD2 PHE 975 -6.583 1.569 1.876 245 HE1 PHE 975 HE1 PHE 975 -2.232 -0.622 0.947 246 HE2 PHE 975 HE2 PHE 975 -4.880 1.383 3.671 247 HZ PHE 975 HZ PHE 975 -2.706 0.288 3.205 248 H LEU 976 H LEU 976 -9.015 -0.498 0.173 249 HA LEU 976 HA LEU 976 -8.317 -1.940 2.513 250 HB2 LEU 976 2HB LEU 976 -10.837 -0.906 1.289 251 HB3 LEU 976 1HB LEU 976 -11.005 -2.113 2.555 252 HG LEU 976 HG LEU 976 -9.858 -0.709 4.134 253 HD11 LEU 976 1HD1 LEU 976 -9.137 0.885 1.684 254 HD12 LEU 976 2HD1 LEU 976 -8.102 0.295 2.977 255 HD13 LEU 976 3HD1 LEU 976 -9.172 1.656 3.267 256 HD21 LEU 976 3HD2 LEU 976 -11.658 1.128 2.540 257 HD22 LEU 976 1HD2 LEU 976 -11.404 1.117 4.283 258 HD23 LEU 976 2HD2 LEU 976 -12.276 -0.206 3.511 259 H ASP 977 H ASP 977 -9.879 -2.892 -0.514 260 HA ASP 977 HA ASP 977 -10.519 -5.535 0.330 261 HB2 ASP 977 2HB ASP 977 -11.440 -4.255 -1.694 262 HB3 ASP 977 1HB ASP 977 -9.949 -4.708 -2.518 263 H LEU 978 H LEU 978 -7.735 -4.054 -1.258 264 HA LEU 978 HA LEU 978 -6.348 -6.443 -1.836 265 HB2 LEU 978 2HB LEU 978 -5.818 -4.423 -3.015 266 HB3 LEU 978 1HB LEU 978 -5.404 -3.589 -1.522 267 HG LEU 978 HG LEU 978 -3.482 -5.089 -1.192 268 HD11 LEU 978 1HD1 LEU 978 -2.905 -6.610 -3.190 269 HD12 LEU 978 2HD1 LEU 978 -4.589 -6.415 -3.676 270 HD13 LEU 978 3HD1 LEU 978 -4.197 -7.163 -2.127 271 HD21 LEU 978 3HD2 LEU 978 -2.959 -3.137 -2.445 272 HD22 LEU 978 1HD2 LEU 978 -3.757 -3.758 -3.891 273 HD23 LEU 978 2HD2 LEU 978 -2.233 -4.468 -3.350 274 H LYS 979 H LYS 979 -6.078 -4.178 0.926 275 HA LYS 979 HA LYS 979 -3.958 -5.615 2.158 276 HB2 LYS 979 2HB LYS 979 -4.226 -4.152 3.985 277 HB3 LYS 979 1HB LYS 979 -4.748 -3.184 2.607 278 HG2 LYS 979 2HG LYS 979 -7.095 -3.848 3.114 279 HG3 LYS 979 1HG LYS 979 -6.527 -4.639 4.572 280 HD2 LYS 979 2HD LYS 979 -5.514 -2.437 5.259 281 HD3 LYS 979 1HD LYS 979 -6.359 -1.707 3.888 282 HE2 LYS 979 2HE LYS 979 -8.511 -2.492 4.775 283 HE3 LYS 979 1HE LYS 979 -7.686 -3.273 6.119 284 HZ1 LYS 979 3HZ LYS 979 -7.239 -0.411 5.649 285 HZ2 LYS 979 1HZ LYS 979 -7.189 -1.286 7.102 286 HZ3 LYS 979 2HZ LYS 979 -8.685 -0.906 6.390 287 H GLU 980 H GLU 980 -7.491 -5.677 2.507 288 HA GLU 980 HA GLU 980 -7.685 -7.466 4.630 289 HB2 GLU 980 2HB GLU 980 -9.614 -6.297 3.596 290 HB3 GLU 980 1HB GLU 980 -9.467 -7.335 2.180 291 HG2 GLU 980 2HG GLU 980 -11.185 -8.265 3.590 292 HG3 GLU 980 1HG GLU 980 -9.785 -9.325 3.713 293 H ARG 981 H ARG 981 -7.511 -8.191 1.130 294 HA ARG 981 HA ARG 981 -7.487 -10.999 1.428 295 HB2 ARG 981 2HB ARG 981 -6.481 -9.183 -0.758 296 HB3 ARG 981 1HB ARG 981 -6.416 -10.941 -0.880 297 HG2 ARG 981 2HG ARG 981 -8.861 -11.051 -0.546 298 HG3 ARG 981 1HG ARG 981 -8.925 -9.292 -0.423 299 HD2 ARG 981 2HD ARG 981 -7.819 -10.757 -2.826 300 HD3 ARG 981 1HD ARG 981 -9.487 -10.202 -2.716 301 HE ARG 981 HE ARG 981 -8.240 -7.916 -2.232 302 HH11 ARG 981 1HH2 ARG 981 -7.471 -10.400 -4.528 303 HH12 ARG 981 2HH2 ARG 981 -6.732 -9.314 -5.652 304 HH21 ARG 981 1HH1 ARG 981 -7.277 -6.498 -3.706 305 HH22 ARG 981 2HH1 ARG 981 -6.609 -7.107 -5.184 306 H ALA 982 H ALA 982 -4.768 -8.712 0.973 307 HA ALA 982 HA ALA 982 -2.728 -10.628 1.029 308 HB1 ALA 982 3HB ALA 982 -1.213 -8.840 1.283 309 HB2 ALA 982 1HB ALA 982 -2.399 -7.855 2.134 310 HB3 ALA 982 2HB ALA 982 -2.581 -8.153 0.422 311 H LEU 983 H LEU 983 -3.979 -8.635 3.681 312 HA LEU 983 HA LEU 983 -2.304 -9.809 5.606 313 HB2 LEU 983 2HB LEU 983 -4.764 -8.092 5.722 314 HB3 LEU 983 1HB LEU 983 -4.210 -8.879 7.196 315 HG LEU 983 HG LEU 983 -2.035 -7.818 7.013 316 HD11 LEU 983 1HD1 LEU 983 -3.062 -6.857 4.350 317 HD12 LEU 983 2HD1 LEU 983 -1.615 -7.796 4.666 318 HD13 LEU 983 3HD1 LEU 983 -1.694 -6.103 5.153 319 HD21 LEU 983 3HD2 LEU 983 -2.712 -5.430 7.167 320 HD22 LEU 983 1HD2 LEU 983 -3.803 -6.484 8.066 321 HD23 LEU 983 2HD2 LEU 983 -4.281 -5.854 6.488 322 H SER 984 H SER 984 -5.251 -10.815 4.110 323 HA SER 984 HA SER 984 -5.986 -12.704 6.169 324 HB2 SER 984 2HB SER 984 -7.781 -11.884 4.831 325 HB3 SER 984 1HB SER 984 -6.935 -12.272 3.332 326 HG SER 984 HG SER 984 -8.633 -13.781 4.511 327 H GLY 985 H GLY 985 -3.415 -12.624 4.205 328 HA2 GLY 985 2HA GLY 985 -1.811 -14.318 4.016 329 HA3 GLY 985 1HA GLY 985 -3.045 -15.519 4.354 330 H ALA 986 H ALA 986 -3.596 -13.082 1.888 331 HA ALA 986 HA ALA 986 -4.004 -15.092 -0.116 332 HB1 ALA 986 3HB ALA 986 -3.604 -12.138 -0.591 333 HB2 ALA 986 1HB ALA 986 -5.130 -12.840 -0.079 334 HB3 ALA 986 2HB ALA 986 -4.441 -13.294 -1.627 335 H SER 987 H SER 987 -2.735 -15.605 -1.893 336 HA SER 987 HA SER 987 0.106 -14.814 -1.662 337 HB2 SER 987 2HB SER 987 0.588 -16.863 -2.937 338 HB3 SER 987 1HB SER 987 -0.324 -17.232 -1.477 339 HG SER 987 HG SER 987 -1.611 -16.719 -3.935 340 H ASP 988 H ASP 988 -2.628 -14.088 -3.360 341 HA ASP 988 HA ASP 988 -2.115 -14.055 -6.025 342 HB2 ASP 988 2HB ASP 988 -3.080 -11.543 -4.666 343 HB3 ASP 988 1HB ASP 988 -3.617 -12.240 -6.191 344 HA PRO 989 HA PRO 989 1.673 -11.859 -6.717 345 HB2 PRO 989 2HB PRO 989 1.006 -10.313 -8.956 346 HB3 PRO 989 1HB PRO 989 1.491 -12.020 -9.012 347 HG2 PRO 989 2HG PRO 989 -1.253 -10.839 -9.036 348 HG3 PRO 989 1HG PRO 989 -0.597 -12.183 -9.991 349 HD2 PRO 989 2HD PRO 989 -2.154 -12.663 -7.878 350 HD3 PRO 989 1HD PRO 989 -0.748 -13.698 -8.202 351 H ASP 990 H ASP 990 -1.337 -10.074 -6.636 352 HA ASP 990 HA ASP 990 -0.165 -7.499 -6.172 353 HB2 ASP 990 2HB ASP 990 -2.960 -8.584 -5.783 354 HB3 ASP 990 1HB ASP 990 -2.520 -6.905 -5.470 355 H SER 991 H SER 991 -1.034 -10.237 -4.221 356 HA SER 991 HA SER 991 -1.149 -8.879 -1.694 357 HB2 SER 991 2HB SER 991 -1.400 -11.024 -0.773 358 HB3 SER 991 1HB SER 991 -2.123 -11.188 -2.370 359 HG SER 991 HG SER 991 -0.124 -12.561 -1.345 360 H GLN 992 H GLN 992 1.274 -11.032 -3.205 361 HA GLN 992 HA GLN 992 3.223 -10.644 -1.180 362 HB2 GLN 992 2HB GLN 992 4.764 -11.372 -3.278 363 HB3 GLN 992 1HB GLN 992 3.772 -12.524 -2.387 364 HG2 GLN 992 2HG GLN 992 2.038 -12.445 -4.007 365 HG3 GLN 992 1HG GLN 992 2.743 -11.043 -4.808 366 HE21 GLN 992 1HE2 GLN 992 2.189 -13.950 -5.741 367 HE22 GLN 992 2HE2 GLN 992 3.671 -14.451 -6.396 368 H ARG 993 H ARG 993 2.570 -9.039 -4.267 369 HA ARG 993 HA ARG 993 4.863 -7.379 -4.268 370 HB2 ARG 993 2HB ARG 993 2.138 -7.102 -5.547 371 HB3 ARG 993 1HB ARG 993 3.435 -5.938 -5.808 372 HG2 ARG 993 2HG ARG 993 3.985 -8.871 -6.222 373 HG3 ARG 993 1HG ARG 993 3.132 -7.970 -7.474 374 HD2 ARG 993 2HD ARG 993 5.012 -6.313 -7.488 375 HD3 ARG 993 1HD ARG 993 5.876 -7.335 -6.342 376 HE ARG 993 HE ARG 993 5.031 -8.718 -8.738 377 HH11 ARG 993 1HH2 ARG 993 7.447 -6.772 -7.206 378 HH12 ARG 993 2HH2 ARG 993 8.728 -7.302 -8.242 379 HH21 ARG 993 1HH1 ARG 993 6.709 -9.416 -10.104 380 HH22 ARG 993 2HH1 ARG 993 8.309 -8.782 -9.897 381 H TYR 994 H TYR 994 1.587 -6.971 -2.953 382 HA TYR 994 HA TYR 994 1.946 -4.293 -2.104 383 HB2 TYR 994 2HB TYR 994 -0.299 -5.142 -2.200 384 HB3 TYR 994 1HB TYR 994 0.090 -6.477 -1.115 385 HD1 TYR 994 HD1 TYR 994 0.565 -2.742 -1.115 386 HD2 TYR 994 HD2 TYR 994 -0.756 -6.206 1.055 387 HE1 TYR 994 HE1 TYR 994 0.009 -1.312 0.821 388 HE2 TYR 994 HE2 TYR 994 -1.317 -4.768 2.997 389 HH TYR 994 HH TYR 994 -1.866 -2.390 3.433 390 H ASN 995 H ASN 995 2.460 -7.415 -0.504 391 HA ASN 995 HA ASN 995 3.218 -6.413 2.018 392 HB2 ASN 995 2HB ASN 995 4.014 -8.931 0.544 393 HB3 ASN 995 1HB ASN 995 4.471 -8.604 2.214 394 HD21 ASN 995 1HD2 ASN 995 1.430 -7.244 1.484 395 HD22 ASN 995 2HD2 ASN 995 0.468 -8.484 2.121 396 H ALA 996 H ALA 996 5.037 -7.073 -0.949 397 HA ALA 996 HA ALA 996 7.608 -6.465 0.066 398 HB1 ALA 996 3HB ALA 996 6.643 -6.009 -2.744 399 HB2 ALA 996 1HB ALA 996 7.132 -7.591 -2.150 400 HB3 ALA 996 2HB ALA 996 8.295 -6.261 -2.223 401 H TRP 997 H TRP 997 5.118 -4.508 -1.538 402 HA TRP 997 HA TRP 997 6.547 -2.151 -1.769 403 HB2 TRP 997 2HB TRP 997 4.290 -2.445 -2.731 404 HB3 TRP 997 1HB TRP 997 3.600 -2.423 -1.106 405 HD1 TRP 997 HD TRP 997 5.796 -0.174 -3.350 406 HE1 TRP 997 HE1 TRP 997 5.258 2.287 -2.794 407 HE3 TRP 997 HE3 TRP 997 2.440 -0.841 0.436 408 HZ2 TRP 997 HZ2 TRP 997 3.617 3.777 -0.987 409 HZ3 TRP 997 HZ3 TRP 997 1.403 1.112 1.557 410 HH2 TRP 997 HH TRP 997 1.986 3.417 0.849 411 H LEU 998 H LEU 998 4.765 -3.478 0.987 412 HA LEU 998 HA LEU 998 5.156 -1.250 2.700 413 HB2 LEU 998 2HB LEU 998 4.727 -4.185 3.299 414 HB3 LEU 998 1HB LEU 998 4.801 -2.945 4.545 415 HG LEU 998 HG LEU 998 2.854 -2.860 2.220 416 HD11 LEU 998 1HD1 LEU 998 1.188 -3.531 4.055 417 HD12 LEU 998 2HD1 LEU 998 2.597 -4.033 4.993 418 HD13 LEU 998 3HD1 LEU 998 2.246 -4.806 3.447 419 HD21 LEU 998 3HD2 LEU 998 2.991 -0.674 3.105 420 HD22 LEU 998 1HD2 LEU 998 3.244 -1.252 4.749 421 HD23 LEU 998 2HD2 LEU 998 1.652 -1.364 4.010 422 H GLU 999 H GLU 999 7.011 -4.152 1.972 423 HA GLU 999 HA GLU 999 9.027 -3.826 3.920 424 HB2 GLU 999 2HB GLU 999 8.649 -5.920 2.650 425 HB3 GLU 999 1HB GLU 999 9.258 -5.139 1.189 426 HG2 GLU 999 2HG GLU 999 11.414 -4.736 2.283 427 HG3 GLU 999 1HG GLU 999 10.814 -5.463 3.769 428 H LEU1000 H LEU1000 8.941 -2.782 0.490 429 HA LEU1000 HA LEU1000 11.487 -1.552 0.479 430 HB2 LEU1000 2HB LEU1000 9.068 -0.661 -1.114 431 HB3 LEU1000 1HB LEU1000 10.759 -0.363 -1.499 432 HG LEU1000 HG LEU1000 9.303 -3.015 -1.529 433 HD11 LEU1000 1HD1 LEU1000 10.075 -3.001 -3.900 434 HD12 LEU1000 2HD1 LEU1000 10.722 -1.382 -3.643 435 HD13 LEU1000 3HD1 LEU1000 8.984 -1.668 -3.520 436 HD21 LEU1000 3HD2 LEU1000 12.253 -2.385 -1.585 437 HD22 LEU1000 1HD2 LEU1000 11.617 -3.830 -2.373 438 HD23 LEU1000 2HD2 LEU1000 11.405 -3.607 -0.638 439 H ARG1001 H ARG1001 8.262 -0.393 1.258 440 HA ARG1001 HA ARG1001 8.872 2.314 1.635 441 HB2 ARG1001 2HB ARG1001 6.602 1.912 1.561 442 HB3 ARG1001 1HB ARG1001 6.717 0.446 2.509 443 HG2 ARG1001 2HG ARG1001 6.945 1.693 4.556 444 HG3 ARG1001 1HG ARG1001 7.149 3.206 3.677 445 HD2 ARG1001 2HD ARG1001 4.849 3.113 2.887 446 HD3 ARG1001 1HD ARG1001 4.650 1.495 3.558 447 HE ARG1001 HE ARG1001 4.315 2.455 5.644 448 HH11 ARG1001 1HH2 ARG1001 5.696 4.741 3.438 449 HH12 ARG1001 2HH2 ARG1001 5.604 6.068 4.548 450 HH21 ARG1001 1HH1 ARG1001 4.197 4.183 7.095 451 HH22 ARG1001 2HH1 ARG1001 4.751 5.755 6.621 452 H ALA1002 H ALA1002 8.942 -0.440 3.867 453 HA ALA1002 HA ALA1002 9.510 0.992 6.200 454 HB1 ALA1002 3HB ALA1002 8.902 -1.433 6.138 455 HB2 ALA1002 1HB ALA1002 10.345 -1.111 7.102 456 HB3 ALA1002 2HB ALA1002 10.499 -1.781 5.478 457 H LYS1003 H LYS1003 11.501 -0.156 3.561 458 HA LYS1003 HA LYS1003 14.002 0.530 4.827 459 HB2 LYS1003 2HB LYS1003 13.357 -0.021 1.925 460 HB3 LYS1003 1HB LYS1003 14.983 0.199 2.570 461 HG2 LYS1003 2HG LYS1003 14.464 -1.688 4.196 462 HG3 LYS1003 1HG LYS1003 13.013 -1.993 3.244 463 HD2 LYS1003 2HD LYS1003 14.345 -2.367 1.235 464 HD3 LYS1003 1HD LYS1003 15.819 -1.939 2.100 465 HE2 LYS1003 2HE LYS1003 15.865 -4.282 2.161 466 HE3 LYS1003 1HE LYS1003 15.149 -3.878 3.721 467 HZ1 LYS1003 3HZ LYS1003 14.007 -5.639 2.322 468 HZ2 LYS1003 1HZ LYS1003 13.484 -4.365 1.333 469 HZ3 LYS1003 2HZ LYS1003 13.031 -4.408 2.970 470 H ARG1004 H ARG1004 11.797 2.119 2.594 471 HA ARG1004 HA ARG1004 13.428 4.266 1.826 472 HB2 ARG1004 2HB ARG1004 10.432 3.995 2.051 473 HB3 ARG1004 1HB ARG1004 11.203 5.431 1.390 474 HG2 ARG1004 2HG ARG1004 11.913 2.704 0.307 475 HG3 ARG1004 1HG ARG1004 10.452 3.521 -0.242 476 HD2 ARG1004 2HD ARG1004 11.835 5.505 -0.862 477 HD3 ARG1004 1HD ARG1004 13.283 4.603 -0.426 478 HE ARG1004 HE ARG1004 11.860 3.035 -2.242 479 HH11 ARG1004 1HH2 ARG1004 13.401 6.133 -2.103 480 HH12 ARG1004 2HH2 ARG1004 13.845 6.137 -3.777 481 HH21 ARG1004 1HH1 ARG1004 12.431 3.041 -4.435 482 HH22 ARG1004 2HH1 ARG1004 13.300 4.387 -5.096 483 H LEU1005 H LEU1005 11.379 3.844 4.664 484 HA LEU1005 HA LEU1005 11.136 5.083 6.576 485 HB2 LEU1005 2HB LEU1005 13.902 5.841 5.674 486 HB3 LEU1005 1HB LEU1005 13.157 6.811 6.936 487 HG LEU1005 HG LEU1005 12.688 4.595 8.156 488 HD11 LEU1005 1HD1 LEU1005 14.942 3.485 6.487 489 HD12 LEU1005 2HD1 LEU1005 13.283 3.310 5.933 490 HD13 LEU1005 3HD1 LEU1005 13.764 2.630 7.480 491 HD21 LEU1005 3HD2 LEU1005 14.905 4.561 9.138 492 HD22 LEU1005 1HD2 LEU1005 14.501 6.233 8.747 493 HD23 LEU1005 2HD2 LEU1005 15.598 5.324 7.707 494 H SER1006 H SER1006 10.241 7.037 7.250 495 HA SER1006 HA SER1006 8.917 8.551 5.320 496 HB2 SER1006 2HB SER1006 8.529 10.183 7.214 497 HB3 SER1006 1HB SER1006 8.075 8.513 7.555 498 HG SER1006 HG SER1006 9.602 8.405 9.001 Start of MODEL 9 1 HA2 GLY 945 2HA GLY 945 -17.398 15.417 10.969 2 HA3 GLY 945 1HA GLY 945 -18.586 16.653 10.547 3 H ALA 946 H ALA 946 -18.111 15.620 7.640 4 HA ALA 946 HA ALA 946 -20.374 13.821 7.650 5 HB1 ALA 946 3HB ALA 946 -20.292 13.976 5.268 6 HB2 ALA 946 1HB ALA 946 -18.629 14.561 5.296 7 HB3 ALA 946 2HB ALA 946 -19.937 15.586 5.891 8 H MET 947 H MET 947 -19.679 12.171 5.477 9 HA MET 947 HA MET 947 -18.510 9.964 6.806 10 HB2 MET 947 2HB MET 947 -18.896 10.473 3.841 11 HB3 MET 947 1HB MET 947 -18.526 8.908 4.568 12 HG2 MET 947 2HG MET 947 -20.606 9.047 5.912 13 HG3 MET 947 1HG MET 947 -20.989 10.580 5.128 14 HE1 MET 947 3HE MET 947 -23.509 7.960 3.686 15 HE2 MET 947 1HE MET 947 -23.368 9.618 4.288 16 HE3 MET 947 2HE MET 947 -22.882 8.264 5.305 17 H ALA 948 H ALA 948 -17.262 12.315 4.487 18 HA ALA 948 HA ALA 948 -15.146 12.784 3.734 19 HB1 ALA 948 3HB ALA 948 -14.272 11.816 6.460 20 HB2 ALA 948 1HB ALA 948 -15.024 13.387 6.187 21 HB3 ALA 948 2HB ALA 948 -13.478 13.008 5.430 22 H ILE 949 H ILE 949 -12.677 11.699 4.251 23 HA ILE 949 HA ILE 949 -12.666 9.414 2.569 24 HB ILE 949 HB ILE 949 -10.232 9.332 3.149 25 HG12 ILE 949 2HG1 ILE 949 -10.901 11.732 4.878 26 HG13 ILE 949 1HG1 ILE 949 -10.565 10.124 5.518 27 HG21 ILE 949 1HG2 ILE 949 -9.692 11.362 2.012 28 HG22 ILE 949 2HG2 ILE 949 -11.145 12.166 2.606 29 HG23 ILE 949 3HG2 ILE 949 -11.274 10.884 1.401 30 HD11 ILE 949 3HD1 ILE 949 -8.340 10.163 4.441 31 HD12 ILE 949 1HD1 ILE 949 -8.533 11.508 5.562 32 HD13 ILE 949 2HD1 ILE 949 -8.673 11.782 3.826 33 H ALA 950 H ALA 950 -12.803 9.843 6.009 34 HA ALA 950 HA ALA 950 -13.225 8.345 7.687 35 HB1 ALA 950 3HB ALA 950 -13.117 6.028 5.777 36 HB2 ALA 950 1HB ALA 950 -14.495 7.132 5.759 37 HB3 ALA 950 2HB ALA 950 -14.102 6.234 7.225 38 H LEU 951 H LEU 951 -10.674 7.878 5.436 39 HA LEU 951 HA LEU 951 -9.146 6.089 7.117 40 HB2 LEU 951 2HB LEU 951 -8.715 7.481 4.503 41 HB3 LEU 951 1HB LEU 951 -7.291 6.931 5.385 42 HG LEU 951 HG LEU 951 -8.241 4.651 5.485 43 HD11 LEU 951 1HD1 LEU 951 -10.618 5.217 5.444 44 HD12 LEU 951 2HD1 LEU 951 -10.240 4.131 4.105 45 HD13 LEU 951 3HD1 LEU 951 -10.459 5.857 3.809 46 HD21 LEU 951 3HD2 LEU 951 -8.221 4.262 2.924 47 HD22 LEU 951 1HD2 LEU 951 -6.782 4.979 3.651 48 HD23 LEU 951 2HD2 LEU 951 -7.940 5.999 2.801 49 H ARG 952 H ARG 952 -7.333 6.587 8.317 50 HA ARG 952 HA ARG 952 -7.362 9.149 9.594 51 HB2 ARG 952 2HB ARG 952 -5.453 6.811 9.794 52 HB3 ARG 952 1HB ARG 952 -5.336 8.263 10.786 53 HG2 ARG 952 2HG ARG 952 -7.604 7.865 11.655 54 HG3 ARG 952 1HG ARG 952 -7.740 6.418 10.654 55 HD2 ARG 952 2HD ARG 952 -5.586 6.841 12.740 56 HD3 ARG 952 1HD ARG 952 -7.068 5.936 13.027 57 HE ARG 952 HE ARG 952 -5.881 4.853 10.744 58 HH11 ARG 952 1HH2 ARG 952 -5.229 5.276 14.115 59 HH12 ARG 952 2HH2 ARG 952 -4.216 3.878 14.237 60 HH21 ARG 952 1HH1 ARG 952 -4.560 3.012 10.894 61 HH22 ARG 952 2HH1 ARG 952 -3.820 2.605 12.407 62 H ASP 953 H ASP 953 -5.195 10.330 9.916 63 HA ASP 953 HA ASP 953 -4.397 11.429 7.452 64 HB2 ASP 953 2HB ASP 953 -3.346 11.573 10.267 65 HB3 ASP 953 1HB ASP 953 -2.378 12.249 8.958 66 H ASP 954 H ASP 954 -2.858 8.988 9.533 67 HA ASP 954 HA ASP 954 -0.542 8.677 7.902 68 HB2 ASP 954 2HB ASP 954 -1.843 7.082 10.094 69 HB3 ASP 954 1HB ASP 954 -0.563 6.336 9.139 70 H GLU 955 H GLU 955 -3.668 7.043 8.084 71 HA GLU 955 HA GLU 955 -3.145 5.039 6.156 72 HB2 GLU 955 2HB GLU 955 -5.721 6.312 7.091 73 HB3 GLU 955 1HB GLU 955 -5.639 4.895 6.045 74 HG2 GLU 955 2HG GLU 955 -4.270 5.043 8.740 75 HG3 GLU 955 1HG GLU 955 -5.893 4.397 8.528 76 H TYR 956 H TYR 956 -4.371 8.328 5.929 77 HA TYR 956 HA TYR 956 -5.309 8.283 3.289 78 HB2 TYR 956 2HB TYR 956 -5.778 10.139 4.778 79 HB3 TYR 956 1HB TYR 956 -4.063 10.533 4.885 80 HD1 TYR 956 HD1 TYR 956 -6.903 10.238 2.475 81 HD2 TYR 956 HD2 TYR 956 -3.040 11.946 3.278 82 HE1 TYR 956 HE1 TYR 956 -7.105 11.655 0.450 83 HE2 TYR 956 HE2 TYR 956 -3.244 13.364 1.255 84 HH TYR 956 HH TYR 956 -4.732 13.020 -1.084 85 H ASP 957 H ASP 957 -2.086 9.032 4.583 86 HA ASP 957 HA ASP 957 -0.890 9.605 2.077 87 HB2 ASP 957 2HB ASP 957 0.245 8.755 4.741 88 HB3 ASP 957 1HB ASP 957 1.272 9.033 3.337 89 H GLU 958 H GLU 958 -1.331 6.608 3.892 90 HA GLU 958 HA GLU 958 0.342 4.965 2.323 91 HB2 GLU 958 2HB GLU 958 -2.122 4.331 3.953 92 HB3 GLU 958 1HB GLU 958 -1.109 3.099 3.200 93 HG2 GLU 958 2HG GLU 958 0.825 3.833 4.465 94 HG3 GLU 958 1HG GLU 958 -0.077 5.194 5.128 95 H TRP 959 H TRP 959 -3.144 5.696 2.033 96 HA TRP 959 HA TRP 959 -3.560 4.011 -0.211 97 HB2 TRP 959 2HB TRP 959 -5.465 4.646 1.058 98 HB3 TRP 959 1HB TRP 959 -5.085 6.356 0.918 99 HD1 TRP 959 HD TRP 959 -5.624 3.521 -1.693 100 HE1 TRP 959 HE1 TRP 959 -7.228 4.441 -3.497 101 HE3 TRP 959 HE3 TRP 959 -6.413 8.197 0.156 102 HZ2 TRP 959 HZ2 TRP 959 -8.663 6.861 -4.069 103 HZ3 TRP 959 HZ3 TRP 959 -7.893 9.795 -1.022 104 HH2 TRP 959 HH TRP 959 -9.019 9.137 -3.132 105 H GLN 960 H GLN 960 -2.916 7.536 0.022 106 HA GLN 960 HA GLN 960 -2.970 7.974 -2.773 107 HB2 GLN 960 2HB GLN 960 -1.527 9.467 -0.577 108 HB3 GLN 960 1HB GLN 960 -1.590 10.009 -2.252 109 HG2 GLN 960 2HG GLN 960 -4.039 9.472 -0.547 110 HG3 GLN 960 1HG GLN 960 -3.339 11.069 -0.811 111 HE21 GLN 960 1HE2 GLN 960 -5.673 8.949 -2.008 112 HE22 GLN 960 2HE2 GLN 960 -5.844 9.611 -3.560 113 H ASP 961 H ASP 961 -0.399 7.070 -0.582 114 HA ASP 961 HA ASP 961 1.723 7.223 -2.438 115 HB2 ASP 961 2HB ASP 961 1.372 5.676 0.131 116 HB3 ASP 961 1HB ASP 961 2.865 5.659 -0.806 117 H ILE 962 H ILE 962 -0.569 4.648 -1.614 118 HA ILE 962 HA ILE 962 0.817 2.635 -3.079 119 HB ILE 962 HB ILE 962 -1.242 2.527 -1.291 120 HG12 ILE 962 2HG1 ILE 962 -1.586 0.102 -2.293 121 HG13 ILE 962 1HG1 ILE 962 -0.278 0.572 -3.376 122 HG21 ILE 962 1HG2 ILE 962 -3.323 2.016 -2.280 123 HG22 ILE 962 2HG2 ILE 962 -2.628 1.770 -3.870 124 HG23 ILE 962 3HG2 ILE 962 -2.778 3.382 -3.210 125 HD11 ILE 962 3HD1 ILE 962 0.877 -0.415 -1.593 126 HD12 ILE 962 1HD1 ILE 962 -0.227 0.245 -0.387 127 HD13 ILE 962 2HD1 ILE 962 0.948 1.298 -1.177 128 H ILE 963 H ILE 963 -1.645 5.015 -3.858 129 HA ILE 963 HA ILE 963 -2.307 4.065 -6.427 130 HB ILE 963 HB ILE 963 -2.356 6.829 -5.221 131 HG12 ILE 963 2HG1 ILE 963 -4.560 4.896 -5.942 132 HG13 ILE 963 1HG1 ILE 963 -3.884 5.074 -4.334 133 HG21 ILE 963 1HG2 ILE 963 -2.213 7.333 -7.513 134 HG22 ILE 963 2HG2 ILE 963 -3.952 7.232 -7.269 135 HG23 ILE 963 3HG2 ILE 963 -3.085 5.879 -7.990 136 HD11 ILE 963 3HD1 ILE 963 -4.662 7.338 -4.165 137 HD12 ILE 963 1HD1 ILE 963 -6.021 6.378 -4.735 138 HD13 ILE 963 2HD1 ILE 963 -5.110 7.377 -5.865 139 H ARG 964 H ARG 964 0.158 6.296 -5.246 140 HA ARG 964 HA ARG 964 1.279 6.987 -7.748 141 HB2 ARG 964 2HB ARG 964 1.774 8.196 -5.647 142 HB3 ARG 964 1HB ARG 964 2.641 6.783 -5.049 143 HG2 ARG 964 2HG ARG 964 4.236 6.945 -6.904 144 HG3 ARG 964 1HG ARG 964 3.356 8.324 -7.563 145 HD2 ARG 964 2HD ARG 964 3.792 9.579 -5.471 146 HD3 ARG 964 1HD ARG 964 4.698 8.206 -4.847 147 HE ARG 964 HE ARG 964 5.586 10.102 -6.869 148 HH11 ARG 964 1HH2 ARG 964 5.954 6.978 -5.425 149 HH12 ARG 964 2HH2 ARG 964 7.618 6.812 -5.874 150 HH21 ARG 964 1HH1 ARG 964 7.769 9.886 -7.468 151 HH22 ARG 964 2HH1 ARG 964 8.643 8.457 -7.036 152 H ASP 965 H ASP 965 1.906 4.353 -5.482 153 HA ASP 965 HA ASP 965 4.158 3.230 -6.715 154 HB2 ASP 965 2HB ASP 965 3.244 2.664 -4.448 155 HB3 ASP 965 1HB ASP 965 1.986 1.729 -5.252 156 H TRP 966 H TRP 966 0.686 2.486 -7.230 157 HA TRP 966 HA TRP 966 1.277 0.471 -9.203 158 HB2 TRP 966 2HB TRP 966 -1.375 1.849 -8.799 159 HB3 TRP 966 1HB TRP 966 -1.070 0.264 -9.496 160 HD1 TRP 966 HD TRP 966 -2.206 1.758 -6.434 161 HE1 TRP 966 HE1 TRP 966 -1.989 0.146 -4.446 162 HE3 TRP 966 HE3 TRP 966 0.900 -1.729 -8.485 163 HZ2 TRP 966 HZ2 TRP 966 -0.663 -2.316 -3.806 164 HZ3 TRP 966 HZ3 TRP 966 1.620 -3.700 -7.170 165 HH2 TRP 966 HH TRP 966 0.845 -3.998 -4.835 166 H ARG 967 H ARG 967 1.468 3.772 -9.324 167 HA ARG 967 HA ARG 967 1.519 5.326 -11.008 168 HB2 ARG 967 2HB ARG 967 2.051 2.833 -12.638 169 HB3 ARG 967 1HB ARG 967 2.255 4.483 -13.232 170 HG2 ARG 967 2HG ARG 967 3.864 4.930 -11.401 171 HG3 ARG 967 1HG ARG 967 3.688 3.265 -10.851 172 HD2 ARG 967 2HD ARG 967 5.642 3.253 -12.201 173 HD3 ARG 967 1HD ARG 967 4.379 2.576 -13.227 174 HE ARG 967 HE ARG 967 4.509 4.479 -14.573 175 HH11 ARG 967 1HH2 ARG 967 6.224 4.880 -11.597 176 HH12 ARG 967 2HH2 ARG 967 6.947 6.386 -12.054 177 HH21 ARG 967 1HH1 ARG 967 5.458 6.460 -15.183 178 HH22 ARG 967 2HH1 ARG 967 6.513 7.279 -14.081 179 H LYS 968 H LYS 968 -1.062 3.781 -10.394 180 HA LYS 968 HA LYS 968 -2.590 4.977 -12.586 181 HB2 LYS 968 2HB LYS 968 -3.970 2.993 -12.949 182 HB3 LYS 968 1HB LYS 968 -2.286 2.639 -13.318 183 HG2 LYS 968 2HG LYS 968 -2.011 1.579 -11.128 184 HG3 LYS 968 1HG LYS 968 -3.679 1.963 -10.708 185 HD2 LYS 968 2HD LYS 968 -4.477 0.601 -12.607 186 HD3 LYS 968 1HD LYS 968 -2.809 0.207 -13.024 187 HE2 LYS 968 2HE LYS 968 -2.501 -0.908 -10.872 188 HE3 LYS 968 1HE LYS 968 -4.130 -0.452 -10.375 189 HZ1 LYS 968 3HZ LYS 968 -4.446 -2.568 -11.162 190 HZ2 LYS 968 1HZ LYS 968 -3.276 -2.420 -12.382 191 HZ3 LYS 968 2HZ LYS 968 -4.784 -1.659 -12.558 192 H GLU 969 H GLU 969 -4.653 5.593 -12.014 193 HA GLU 969 HA GLU 969 -5.053 6.071 -9.220 194 HB2 GLU 969 2HB GLU 969 -7.040 7.282 -9.921 195 HB3 GLU 969 1HB GLU 969 -5.699 7.678 -10.996 196 HG2 GLU 969 2HG GLU 969 -6.532 5.932 -12.588 197 HG3 GLU 969 1HG GLU 969 -7.935 5.708 -11.549 198 H MET 970 H MET 970 -6.383 5.144 -7.796 199 HA MET 970 HA MET 970 -8.431 3.245 -8.626 200 HB2 MET 970 2HB MET 970 -7.551 1.508 -7.010 201 HB3 MET 970 1HB MET 970 -6.583 1.714 -8.468 202 HG2 MET 970 2HG MET 970 -4.975 3.068 -7.299 203 HG3 MET 970 1HG MET 970 -5.997 3.124 -5.863 204 HE1 MET 970 3HE MET 970 -6.574 1.154 -4.373 205 HE2 MET 970 1HE MET 970 -5.056 1.937 -3.907 206 HE3 MET 970 2HE MET 970 -5.196 0.181 -3.864 207 H THR 971 H THR 971 -9.928 2.790 -6.917 208 HA THR 971 HA THR 971 -10.224 5.023 -5.109 209 HB THR 971 HB THR 971 -12.345 4.006 -4.522 210 HG1 THR 971 HG1 THR 971 -11.384 1.819 -6.044 211 HG21 THR 971 3HG2 THR 971 -11.686 3.839 -7.470 212 HG22 THR 971 1HG2 THR 971 -12.326 5.234 -6.600 213 HG23 THR 971 2HG2 THR 971 -13.323 3.797 -6.818 214 H VAL 972 H VAL 972 -10.862 4.679 -2.846 215 HA VAL 972 HA VAL 972 -8.816 3.427 -1.336 216 HB VAL 972 HB VAL 972 -11.519 4.599 -0.661 217 HG11 VAL 972 1HG1 VAL 972 -9.655 3.008 1.083 218 HG12 VAL 972 2HG1 VAL 972 -11.413 3.059 1.093 219 HG13 VAL 972 3HG1 VAL 972 -10.493 4.391 1.790 220 HG21 VAL 972 3HG2 VAL 972 -9.685 6.136 -1.256 221 HG22 VAL 972 1HG2 VAL 972 -8.659 5.401 -0.024 222 HG23 VAL 972 2HG2 VAL 972 -10.101 6.297 0.452 223 H GLN 973 H GLN 973 -12.174 2.517 -2.092 224 HA GLN 973 HA GLN 973 -12.416 0.263 -0.515 225 HB2 GLN 973 2HB GLN 973 -13.506 0.955 -3.242 226 HB3 GLN 973 1HB GLN 973 -13.906 -0.564 -2.454 227 HG2 GLN 973 2HG GLN 973 -14.835 0.609 -0.538 228 HG3 GLN 973 1HG GLN 973 -14.306 2.159 -1.188 229 HE21 GLN 973 1HE2 GLN 973 -15.603 3.140 -2.848 230 HE22 GLN 973 2HE2 GLN 973 -17.071 2.472 -3.372 231 H GLN 974 H GLN 974 -11.066 0.528 -3.790 232 HA GLN 974 HA GLN 974 -10.455 -2.162 -4.228 233 HB2 GLN 974 2HB GLN 974 -9.337 0.452 -5.191 234 HB3 GLN 974 1HB GLN 974 -8.467 -1.024 -5.586 235 HG2 GLN 974 2HG GLN 974 -10.151 -0.291 -7.314 236 HG3 GLN 974 1HG GLN 974 -10.373 -1.936 -6.728 237 HE21 GLN 974 1HE2 GLN 974 -12.149 0.678 -7.585 238 HE22 GLN 974 2HE2 GLN 974 -13.464 0.513 -6.523 239 H PHE 975 H PHE 975 -8.545 0.387 -2.632 240 HA PHE 975 HA PHE 975 -6.270 -1.189 -2.065 241 HB2 PHE 975 2HB PHE 975 -6.072 1.183 -1.841 242 HB3 PHE 975 1HB PHE 975 -7.419 1.262 -0.711 243 HD1 PHE 975 HD1 PHE 975 -4.014 -0.243 -1.136 244 HD2 PHE 975 HD2 PHE 975 -7.017 1.147 1.614 245 HE1 PHE 975 HE1 PHE 975 -2.440 -0.558 0.751 246 HE2 PHE 975 HE2 PHE 975 -5.434 0.833 3.496 247 HZ PHE 975 HZ PHE 975 -3.147 -0.022 3.065 248 H LEU 976 H LEU 976 -9.226 -0.534 -0.202 249 HA LEU 976 HA LEU 976 -8.498 -1.948 2.097 250 HB2 LEU 976 2HB LEU 976 -10.483 -0.357 1.641 251 HB3 LEU 976 1HB LEU 976 -11.326 -1.793 1.073 252 HG LEU 976 HG LEU 976 -9.994 -1.610 3.785 253 HD11 LEU 976 1HD1 LEU 976 -11.979 -0.964 4.761 254 HD12 LEU 976 2HD1 LEU 976 -12.959 -1.459 3.383 255 HD13 LEU 976 3HD1 LEU 976 -11.989 0.012 3.299 256 HD21 LEU 976 3HD2 LEU 976 -10.285 -3.879 3.498 257 HD22 LEU 976 1HD2 LEU 976 -11.582 -3.688 2.322 258 HD23 LEU 976 2HD2 LEU 976 -11.910 -3.502 4.037 259 H ASP 977 H ASP 977 -10.140 -3.006 -0.865 260 HA ASP 977 HA ASP 977 -10.628 -5.658 -0.000 261 HB2 ASP 977 2HB ASP 977 -11.555 -4.462 -2.086 262 HB3 ASP 977 1HB ASP 977 -10.027 -4.886 -2.857 263 H LEU 978 H LEU 978 -7.853 -4.045 -1.451 264 HA LEU 978 HA LEU 978 -6.330 -6.375 -1.995 265 HB2 LEU 978 2HB LEU 978 -5.766 -4.355 -3.134 266 HB3 LEU 978 1HB LEU 978 -5.551 -3.483 -1.626 267 HG LEU 978 HG LEU 978 -3.577 -4.836 -1.080 268 HD11 LEU 978 1HD1 LEU 978 -4.113 -6.971 -2.042 269 HD12 LEU 978 2HD1 LEU 978 -2.695 -6.379 -2.898 270 HD13 LEU 978 3HD1 LEU 978 -4.285 -6.273 -3.653 271 HD21 LEU 978 3HD2 LEU 978 -2.101 -3.936 -2.740 272 HD22 LEU 978 1HD2 LEU 978 -3.447 -2.805 -2.595 273 HD23 LEU 978 2HD2 LEU 978 -3.376 -3.920 -3.958 274 H LYS 979 H LYS 979 -6.331 -4.145 0.815 275 HA LYS 979 HA LYS 979 -4.226 -5.504 2.149 276 HB2 LYS 979 2HB LYS 979 -4.542 -3.962 3.844 277 HB3 LYS 979 1HB LYS 979 -5.299 -3.096 2.510 278 HG2 LYS 979 2HG LYS 979 -7.500 -4.077 3.255 279 HG3 LYS 979 1HG LYS 979 -6.676 -4.703 4.661 280 HD2 LYS 979 2HD LYS 979 -5.911 -2.338 5.142 281 HD3 LYS 979 1HD LYS 979 -7.005 -1.811 3.863 282 HE2 LYS 979 2HE LYS 979 -8.827 -3.121 5.142 283 HE3 LYS 979 1HE LYS 979 -7.693 -3.111 6.492 284 HZ1 LYS 979 3HZ LYS 979 -9.436 -1.123 5.862 285 HZ2 LYS 979 1HZ LYS 979 -7.963 -0.547 5.247 286 HZ3 LYS 979 2HZ LYS 979 -8.088 -0.974 6.887 287 H GLU 980 H GLU 980 -7.768 -5.762 2.287 288 HA GLU 980 HA GLU 980 -7.938 -7.578 4.408 289 HB2 GLU 980 2HB GLU 980 -9.908 -6.491 3.359 290 HB3 GLU 980 1HB GLU 980 -9.667 -7.482 1.922 291 HG2 GLU 980 2HG GLU 980 -10.026 -9.519 3.207 292 HG3 GLU 980 1HG GLU 980 -10.147 -8.592 4.702 293 H ARG 981 H ARG 981 -7.695 -8.223 0.904 294 HA ARG 981 HA ARG 981 -7.583 -11.035 1.133 295 HB2 ARG 981 2HB ARG 981 -6.623 -9.139 -1.008 296 HB3 ARG 981 1HB ARG 981 -6.527 -10.893 -1.170 297 HG2 ARG 981 2HG ARG 981 -8.965 -11.061 -0.814 298 HG3 ARG 981 1HG ARG 981 -9.061 -9.307 -0.656 299 HD2 ARG 981 2HD ARG 981 -8.173 -9.058 -2.953 300 HD3 ARG 981 1HD ARG 981 -8.106 -10.810 -3.107 301 HE ARG 981 HE ARG 981 -10.725 -10.183 -2.396 302 HH11 ARG 981 1HH2 ARG 981 -8.492 -9.489 -4.950 303 HH12 ARG 981 2HH2 ARG 981 -9.716 -9.359 -6.168 304 HH21 ARG 981 1HH1 ARG 981 -12.328 -10.019 -3.985 305 HH22 ARG 981 2HH1 ARG 981 -11.892 -9.662 -5.622 306 H ALA 982 H ALA 982 -4.957 -8.628 0.824 307 HA ALA 982 HA ALA 982 -2.828 -10.458 0.798 308 HB1 ALA 982 3HB ALA 982 -1.416 -8.616 1.111 309 HB2 ALA 982 1HB ALA 982 -2.601 -7.749 2.085 310 HB3 ALA 982 2HB ALA 982 -2.838 -7.914 0.360 311 H LEU 983 H LEU 983 -4.251 -8.668 3.521 312 HA LEU 983 HA LEU 983 -2.563 -9.843 5.436 313 HB2 LEU 983 2HB LEU 983 -5.109 -8.263 5.562 314 HB3 LEU 983 1HB LEU 983 -4.567 -9.098 7.011 315 HG LEU 983 HG LEU 983 -2.491 -7.911 7.026 316 HD11 LEU 983 1HD1 LEU 983 -3.242 -7.100 4.240 317 HD12 LEU 983 2HD1 LEU 983 -1.725 -7.753 4.835 318 HD13 LEU 983 3HD1 LEU 983 -2.163 -6.084 5.186 319 HD21 LEU 983 3HD2 LEU 983 -3.300 -5.526 7.084 320 HD22 LEU 983 1HD2 LEU 983 -4.313 -6.658 7.979 321 HD23 LEU 983 2HD2 LEU 983 -4.820 -6.089 6.389 322 H SER 984 H SER 984 -5.399 -10.967 3.814 323 HA SER 984 HA SER 984 -6.101 -12.950 5.794 324 HB2 SER 984 2HB SER 984 -7.808 -12.048 4.271 325 HB3 SER 984 1HB SER 984 -6.927 -12.694 2.891 326 HG SER 984 HG SER 984 -8.749 -13.933 4.166 327 H GLY 985 H GLY 985 -3.528 -12.678 3.752 328 HA2 GLY 985 2HA GLY 985 -1.814 -14.290 3.567 329 HA3 GLY 985 1HA GLY 985 -2.982 -15.558 3.903 330 H ALA 986 H ALA 986 -3.627 -13.091 1.478 331 HA ALA 986 HA ALA 986 -4.018 -15.090 -0.541 332 HB1 ALA 986 3HB ALA 986 -3.702 -12.135 -1.065 333 HB2 ALA 986 1HB ALA 986 -5.177 -12.822 -0.410 334 HB3 ALA 986 2HB ALA 986 -4.618 -13.323 -1.995 335 H SER 987 H SER 987 -2.784 -15.512 -2.373 336 HA SER 987 HA SER 987 0.048 -14.748 -2.132 337 HB2 SER 987 2HB SER 987 -0.494 -17.176 -2.277 338 HB3 SER 987 1HB SER 987 -1.230 -16.892 -3.851 339 HG SER 987 HG SER 987 0.973 -15.833 -4.244 340 H ASP 988 H ASP 988 -2.685 -13.726 -3.638 341 HA ASP 988 HA ASP 988 -2.274 -13.369 -6.291 342 HB2 ASP 988 2HB ASP 988 -3.305 -11.449 -4.212 343 HB3 ASP 988 1HB ASP 988 -3.258 -10.998 -5.916 344 HA PRO 989 HA PRO 989 1.592 -11.280 -6.811 345 HB2 PRO 989 2HB PRO 989 1.016 -9.609 -8.966 346 HB3 PRO 989 1HB PRO 989 1.392 -11.336 -9.103 347 HG2 PRO 989 2HG PRO 989 -1.266 -9.982 -9.108 348 HG3 PRO 989 1HG PRO 989 -0.691 -11.345 -10.087 349 HD2 PRO 989 2HD PRO 989 -2.306 -11.721 -7.948 350 HD3 PRO 989 1HD PRO 989 -1.043 -12.900 -8.379 351 H ASP 990 H ASP 990 -1.345 -9.405 -6.582 352 HA ASP 990 HA ASP 990 -0.090 -6.902 -6.008 353 HB2 ASP 990 2HB ASP 990 -2.894 -7.929 -5.564 354 HB3 ASP 990 1HB ASP 990 -2.397 -6.279 -5.197 355 H SER 991 H SER 991 -1.169 -9.652 -4.069 356 HA SER 991 HA SER 991 -1.003 -8.318 -1.549 357 HB2 SER 991 2HB SER 991 -2.316 -10.261 -1.517 358 HB3 SER 991 1HB SER 991 -1.102 -11.210 -2.375 359 HG SER 991 HG SER 991 -0.227 -11.653 -0.522 360 H GLN 992 H GLN 992 1.228 -10.577 -3.220 361 HA GLN 992 HA GLN 992 3.223 -10.400 -1.214 362 HB2 GLN 992 2HB GLN 992 4.721 -11.096 -3.333 363 HB3 GLN 992 1HB GLN 992 3.641 -12.234 -2.533 364 HG2 GLN 992 2HG GLN 992 2.026 -12.110 -4.199 365 HG3 GLN 992 1HG GLN 992 2.579 -10.545 -4.774 366 HE21 GLN 992 1HE2 GLN 992 2.307 -13.437 -6.024 367 HE22 GLN 992 2HE2 GLN 992 3.783 -13.616 -6.846 368 H ARG 993 H ARG 993 2.676 -8.587 -4.222 369 HA ARG 993 HA ARG 993 5.032 -7.015 -4.040 370 HB2 ARG 993 2HB ARG 993 2.382 -6.631 -5.437 371 HB3 ARG 993 1HB ARG 993 3.637 -5.389 -5.489 372 HG2 ARG 993 2HG ARG 993 5.230 -7.041 -6.404 373 HG3 ARG 993 1HG ARG 993 3.976 -8.281 -6.349 374 HD2 ARG 993 2HD ARG 993 3.674 -5.696 -7.893 375 HD3 ARG 993 1HD ARG 993 4.300 -7.177 -8.611 376 HE ARG 993 HE ARG 993 1.934 -7.955 -7.484 377 HH11 ARG 993 1HH2 ARG 993 2.917 -5.428 -9.629 378 HH12 ARG 993 2HH2 ARG 993 1.425 -5.399 -10.507 379 HH21 ARG 993 1HH1 ARG 993 -0.020 -7.936 -8.624 380 HH22 ARG 993 2HH1 ARG 993 -0.250 -6.823 -9.932 381 H TYR 994 H TYR 994 1.788 -6.682 -2.723 382 HA TYR 994 HA TYR 994 2.028 -4.061 -1.714 383 HB2 TYR 994 2HB TYR 994 -0.141 -5.048 -1.851 384 HB3 TYR 994 1HB TYR 994 0.347 -6.427 -0.868 385 HD1 TYR 994 HD1 TYR 994 0.299 -2.667 -0.664 386 HD2 TYR 994 HD2 TYR 994 -0.257 -6.403 1.383 387 HE1 TYR 994 HE1 TYR 994 -0.366 -1.446 1.390 388 HE2 TYR 994 HE2 TYR 994 -0.922 -5.183 3.433 389 HH TYR 994 HH TYR 994 -1.196 -1.636 3.455 390 H ASN 995 H ASN 995 2.709 -7.230 -0.239 391 HA ASN 995 HA ASN 995 3.475 -6.268 2.303 392 HB2 ASN 995 2HB ASN 995 4.258 -8.754 0.772 393 HB3 ASN 995 1HB ASN 995 4.735 -8.458 2.441 394 HD21 ASN 995 1HD2 ASN 995 1.593 -7.521 1.040 395 HD22 ASN 995 2HD2 ASN 995 0.673 -8.594 1.981 396 H ALA 996 H ALA 996 5.288 -6.852 -0.685 397 HA ALA 996 HA ALA 996 7.848 -6.231 0.376 398 HB1 ALA 996 3HB ALA 996 6.885 -5.839 -2.443 399 HB2 ALA 996 1HB ALA 996 7.487 -7.370 -1.818 400 HB3 ALA 996 2HB ALA 996 8.554 -5.963 -1.921 401 H TRP 997 H TRP 997 5.351 -4.307 -1.236 402 HA TRP 997 HA TRP 997 6.733 -1.920 -1.451 403 HB2 TRP 997 2HB TRP 997 4.578 -2.097 -2.487 404 HB3 TRP 997 1HB TRP 997 3.794 -2.449 -0.949 405 HD1 TRP 997 HD TRP 997 5.779 0.420 -2.617 406 HE1 TRP 997 HE1 TRP 997 4.894 2.655 -1.685 407 HE3 TRP 997 HE3 TRP 997 2.396 -1.325 0.786 408 HZ2 TRP 997 HZ2 TRP 997 2.997 3.578 0.255 409 HZ3 TRP 997 HZ3 TRP 997 1.063 0.250 2.157 410 HH2 TRP 997 HH TRP 997 1.358 2.698 1.895 411 H LEU 998 H LEU 998 4.973 -3.299 1.303 412 HA LEU 998 HA LEU 998 5.323 -1.074 3.045 413 HB2 LEU 998 2HB LEU 998 4.959 -4.027 3.609 414 HB3 LEU 998 1HB LEU 998 4.995 -2.796 4.868 415 HG LEU 998 HG LEU 998 3.062 -2.743 2.529 416 HD11 LEU 998 1HD1 LEU 998 2.785 -3.892 5.315 417 HD12 LEU 998 2HD1 LEU 998 2.542 -4.720 3.780 418 HD13 LEU 998 3HD1 LEU 998 1.394 -3.491 4.306 419 HD21 LEU 998 3HD2 LEU 998 3.117 -0.559 3.410 420 HD22 LEU 998 1HD2 LEU 998 3.417 -1.122 5.055 421 HD23 LEU 998 2HD2 LEU 998 1.816 -1.290 4.341 422 H GLU 999 H GLU 999 7.248 -3.934 2.288 423 HA GLU 999 HA GLU 999 9.274 -3.545 4.234 424 HB2 GLU 999 2HB GLU 999 8.905 -5.651 2.945 425 HB3 GLU 999 1HB GLU 999 9.511 -4.854 1.498 426 HG2 GLU 999 2HG GLU 999 11.367 -6.037 2.400 427 HG3 GLU 999 1HG GLU 999 11.626 -4.356 2.846 428 H LEU1000 H LEU1000 9.013 -2.539 0.840 429 HA LEU1000 HA LEU1000 11.487 -1.224 0.597 430 HB2 LEU1000 2HB LEU1000 8.843 -0.612 -0.759 431 HB3 LEU1000 1HB LEU1000 10.410 0.009 -1.266 432 HG LEU1000 HG LEU1000 9.639 -2.920 -1.159 433 HD11 LEU1000 1HD1 LEU1000 10.184 -1.220 -3.595 434 HD12 LEU1000 2HD1 LEU1000 8.560 -1.455 -2.945 435 HD13 LEU1000 3HD1 LEU1000 9.481 -2.837 -3.535 436 HD21 LEU1000 3HD2 LEU1000 12.193 -1.468 -1.788 437 HD22 LEU1000 1HD2 LEU1000 11.827 -2.979 -2.622 438 HD23 LEU1000 2HD2 LEU1000 11.946 -2.954 -0.866 439 H ARG1001 H ARG1001 8.305 -0.167 1.662 440 HA ARG1001 HA ARG1001 8.805 2.559 1.918 441 HB2 ARG1001 2HB ARG1001 6.586 1.782 2.031 442 HB3 ARG1001 1HB ARG1001 6.934 0.722 3.388 443 HG2 ARG1001 2HG ARG1001 7.238 2.569 4.867 444 HG3 ARG1001 1HG ARG1001 7.275 3.710 3.531 445 HD2 ARG1001 2HD ARG1001 4.913 3.162 3.020 446 HD3 ARG1001 1HD ARG1001 4.902 2.014 4.353 447 HE ARG1001 HE ARG1001 4.787 3.808 5.860 448 HH11 ARG1001 1HH2 ARG1001 5.398 4.859 2.622 449 HH12 ARG1001 2HH2 ARG1001 5.062 6.526 2.950 450 HH21 ARG1001 1HH1 ARG1001 4.352 5.998 6.304 451 HH22 ARG1001 2HH1 ARG1001 4.486 7.172 5.038 452 H ALA1002 H ALA1002 9.245 -0.068 4.239 453 HA ALA1002 HA ALA1002 10.044 1.570 6.394 454 HB1 ALA1002 3HB ALA1002 9.333 -0.884 6.485 455 HB2 ALA1002 1HB ALA1002 10.721 -0.436 7.477 456 HB3 ALA1002 2HB ALA1002 10.967 -1.270 5.944 457 H LYS1003 H LYS1003 11.686 0.172 3.658 458 HA LYS1003 HA LYS1003 14.345 0.639 4.606 459 HB2 LYS1003 2HB LYS1003 13.258 0.181 1.831 460 HB3 LYS1003 1HB LYS1003 14.974 0.399 2.165 461 HG2 LYS1003 2HG LYS1003 14.813 -1.497 3.813 462 HG3 LYS1003 1HG LYS1003 13.169 -1.767 3.259 463 HD2 LYS1003 2HD LYS1003 13.956 -2.137 0.970 464 HD3 LYS1003 1HD LYS1003 15.615 -1.815 1.472 465 HE2 LYS1003 2HE LYS1003 13.879 -4.066 2.521 466 HE3 LYS1003 1HE LYS1003 15.167 -4.246 1.335 467 HZ1 LYS1003 3HZ LYS1003 15.959 -4.786 3.533 468 HZ2 LYS1003 1HZ LYS1003 15.470 -3.274 4.124 469 HZ3 LYS1003 2HZ LYS1003 16.725 -3.373 2.983 470 H ARG1004 H ARG1004 12.169 2.520 2.525 471 HA ARG1004 HA ARG1004 14.148 4.652 2.272 472 HB2 ARG1004 2HB ARG1004 12.727 5.580 0.640 473 HB3 ARG1004 1HB ARG1004 12.563 3.841 0.421 474 HG2 ARG1004 2HG ARG1004 10.539 3.980 1.962 475 HG3 ARG1004 1HG ARG1004 10.630 5.724 1.784 476 HD2 ARG1004 2HD ARG1004 10.337 3.734 -0.479 477 HD3 ARG1004 1HD ARG1004 9.070 4.793 0.133 478 HE ARG1004 HE ARG1004 11.331 5.563 -1.540 479 HH11 ARG1004 1HH2 ARG1004 8.737 6.535 0.547 480 HH12 ARG1004 2HH2 ARG1004 8.690 8.158 -0.055 481 HH21 ARG1004 1HH1 ARG1004 11.274 7.683 -2.317 482 HH22 ARG1004 2HH1 ARG1004 10.126 8.809 -1.676 483 H LEU1005 H LEU1005 14.296 6.314 3.609 484 HA LEU1005 HA LEU1005 12.046 6.907 5.453 485 HB2 LEU1005 2HB LEU1005 15.039 7.134 5.699 486 HB3 LEU1005 1HB LEU1005 13.999 8.159 6.685 487 HG LEU1005 HG LEU1005 12.858 6.161 7.575 488 HD11 LEU1005 1HD1 LEU1005 14.152 3.929 7.071 489 HD12 LEU1005 2HD1 LEU1005 14.671 4.768 5.609 490 HD13 LEU1005 3HD1 LEU1005 12.954 4.509 5.919 491 HD21 LEU1005 3HD2 LEU1005 14.878 7.062 8.711 492 HD22 LEU1005 1HD2 LEU1005 15.884 5.979 7.751 493 HD23 LEU1005 2HD2 LEU1005 14.740 5.317 8.920 494 H SER1006 H SER1006 11.025 8.790 5.251 495 HA SER1006 HA SER1006 10.366 10.729 4.127 496 HB2 SER1006 2HB SER1006 13.042 11.550 5.267 497 HB3 SER1006 1HB SER1006 11.695 12.617 4.886 498 HG SER1006 HG SER1006 10.823 10.614 6.421 Start of MODEL 10 1 HA2 GLY 945 2HA GLY 945 -22.152 8.759 7.063 2 HA3 GLY 945 1HA GLY 945 -20.723 9.270 6.160 3 H ALA 946 H ALA 946 -22.492 6.500 7.414 4 HA ALA 946 HA ALA 946 -22.354 4.242 6.953 5 HB1 ALA 946 3HB ALA 946 -22.025 5.549 4.252 6 HB2 ALA 946 1HB ALA 946 -23.495 4.891 4.968 7 HB3 ALA 946 2HB ALA 946 -22.206 3.807 4.448 8 H MET 947 H MET 947 -20.972 2.698 5.249 9 HA MET 947 HA MET 947 -18.341 2.666 6.424 10 HB2 MET 947 2HB MET 947 -19.654 0.930 4.316 11 HB3 MET 947 1HB MET 947 -18.059 0.622 5.007 12 HG2 MET 947 2HG MET 947 -19.017 0.432 7.242 13 HG3 MET 947 1HG MET 947 -20.611 0.866 6.627 14 HE1 MET 947 3HE MET 947 -18.372 -3.092 6.325 15 HE2 MET 947 1HE MET 947 -18.032 -1.678 7.330 16 HE3 MET 947 2HE MET 947 -17.654 -1.653 5.608 17 H ALA 948 H ALA 948 -19.351 4.759 4.341 18 HA ALA 948 HA ALA 948 -18.090 4.648 1.928 19 HB1 ALA 948 3HB ALA 948 -19.377 6.579 2.423 20 HB2 ALA 948 1HB ALA 948 -17.727 7.161 2.211 21 HB3 ALA 948 2HB ALA 948 -18.391 6.967 3.833 22 H ILE 949 H ILE 949 -16.489 6.672 4.341 23 HA ILE 949 HA ILE 949 -13.932 5.266 3.829 24 HB ILE 949 HB ILE 949 -12.807 7.462 3.697 25 HG12 ILE 949 2HG1 ILE 949 -15.627 8.579 3.582 26 HG13 ILE 949 1HG1 ILE 949 -14.549 8.735 4.971 27 HG21 ILE 949 1HG2 ILE 949 -15.053 7.303 1.676 28 HG22 ILE 949 2HG2 ILE 949 -13.688 6.187 1.676 29 HG23 ILE 949 3HG2 ILE 949 -13.416 7.910 1.429 30 HD11 ILE 949 3HD1 ILE 949 -14.441 10.756 3.580 31 HD12 ILE 949 1HD1 ILE 949 -14.002 9.780 2.178 32 HD13 ILE 949 2HD1 ILE 949 -12.896 9.903 3.546 33 H ALA 950 H ALA 950 -12.354 5.496 5.467 34 HA ALA 950 HA ALA 950 -12.925 6.885 7.917 35 HB1 ALA 950 3HB ALA 950 -12.921 3.866 8.045 36 HB2 ALA 950 1HB ALA 950 -14.395 4.835 8.062 37 HB3 ALA 950 2HB ALA 950 -13.216 4.998 9.363 38 H LEU 951 H LEU 951 -10.798 6.556 5.873 39 HA LEU 951 HA LEU 951 -8.648 5.139 7.209 40 HB2 LEU 951 2HB LEU 951 -8.903 6.736 4.671 41 HB3 LEU 951 1HB LEU 951 -7.302 6.357 5.306 42 HG LEU 951 HG LEU 951 -7.824 3.972 5.293 43 HD11 LEU 951 1HD1 LEU 951 -10.153 3.908 5.752 44 HD12 LEU 951 2HD1 LEU 951 -9.994 3.298 4.106 45 HD13 LEU 951 3HD1 LEU 951 -10.531 4.955 4.385 46 HD21 LEU 951 3HD2 LEU 951 -8.680 5.080 2.617 47 HD22 LEU 951 1HD2 LEU 951 -7.709 3.649 2.949 48 HD23 LEU 951 2HD2 LEU 951 -7.025 5.251 3.198 49 H ARG 952 H ARG 952 -7.191 5.926 8.543 50 HA ARG 952 HA ARG 952 -7.493 8.516 9.696 51 HB2 ARG 952 2HB ARG 952 -5.362 6.386 9.967 52 HB3 ARG 952 1HB ARG 952 -5.382 7.871 10.921 53 HG2 ARG 952 2HG ARG 952 -7.581 7.303 11.824 54 HG3 ARG 952 1HG ARG 952 -7.652 5.862 10.810 55 HD2 ARG 952 2HD ARG 952 -5.657 4.963 11.959 56 HD3 ARG 952 1HD ARG 952 -5.601 6.399 12.975 57 HE ARG 952 HE ARG 952 -8.155 5.147 13.147 58 HH11 ARG 952 1HH2 ARG 952 -4.842 4.859 14.098 59 HH12 ARG 952 2HH2 ARG 952 -5.194 4.025 15.575 60 HH21 ARG 952 1HH1 ARG 952 -8.627 4.060 15.089 61 HH22 ARG 952 2HH1 ARG 952 -7.336 3.574 16.136 62 H ASP 953 H ASP 953 -5.437 9.915 9.983 63 HA ASP 953 HA ASP 953 -4.782 11.061 7.509 64 HB2 ASP 953 2HB ASP 953 -4.612 12.253 9.671 65 HB3 ASP 953 1HB ASP 953 -3.242 11.232 10.111 66 H ASP 954 H ASP 954 -3.080 8.700 9.514 67 HA ASP 954 HA ASP 954 -0.713 8.597 7.915 68 HB2 ASP 954 2HB ASP 954 -1.934 6.901 10.080 69 HB3 ASP 954 1HB ASP 954 -0.584 6.259 9.153 70 H GLU 955 H GLU 955 -3.734 6.795 8.020 71 HA GLU 955 HA GLU 955 -3.047 4.822 6.096 72 HB2 GLU 955 2HB GLU 955 -5.723 5.882 7.023 73 HB3 GLU 955 1HB GLU 955 -5.513 4.474 5.982 74 HG2 GLU 955 2HG GLU 955 -4.219 4.752 8.704 75 HG3 GLU 955 1HG GLU 955 -5.750 3.926 8.437 76 H TYR 956 H TYR 956 -4.578 7.996 5.886 77 HA TYR 956 HA TYR 956 -5.467 7.887 3.230 78 HB2 TYR 956 2HB TYR 956 -6.097 9.689 4.768 79 HB3 TYR 956 1HB TYR 956 -4.429 10.258 4.803 80 HD1 TYR 956 HD1 TYR 956 -7.481 9.949 2.764 81 HD2 TYR 956 HD2 TYR 956 -3.442 11.411 2.889 82 HE1 TYR 956 HE1 TYR 956 -7.904 11.299 0.727 83 HE2 TYR 956 HE2 TYR 956 -3.865 12.758 0.852 84 HH TYR 956 HH TYR 956 -5.304 13.062 -0.885 85 H ASP 957 H ASP 957 -2.357 8.869 4.604 86 HA ASP 957 HA ASP 957 -1.136 9.658 2.178 87 HB2 ASP 957 2HB ASP 957 -0.007 8.691 4.808 88 HB3 ASP 957 1HB ASP 957 1.014 9.203 3.465 89 H GLU 958 H GLU 958 -1.370 6.538 3.831 90 HA GLU 958 HA GLU 958 0.447 5.138 2.173 91 HB2 GLU 958 2HB GLU 958 -0.350 4.279 4.350 92 HB3 GLU 958 1HB GLU 958 -1.960 4.063 3.664 93 HG2 GLU 958 2HG GLU 958 -1.064 2.481 2.010 94 HG3 GLU 958 1HG GLU 958 0.564 2.728 2.636 95 H TRP 959 H TRP 959 -3.081 5.596 1.983 96 HA TRP 959 HA TRP 959 -3.499 3.951 -0.272 97 HB2 TRP 959 2HB TRP 959 -5.377 4.571 1.058 98 HB3 TRP 959 1HB TRP 959 -5.027 6.284 0.886 99 HD1 TRP 959 HD TRP 959 -5.593 3.408 -1.672 100 HE1 TRP 959 HE1 TRP 959 -7.284 4.268 -3.425 101 HE3 TRP 959 HE3 TRP 959 -6.412 8.087 0.148 102 HZ2 TRP 959 HZ2 TRP 959 -8.795 6.648 -3.968 103 HZ3 TRP 959 HZ3 TRP 959 -7.971 9.640 -0.993 104 HH2 TRP 959 HH TRP 959 -9.165 8.927 -3.052 105 H GLN 960 H GLN 960 -2.928 7.481 -0.028 106 HA GLN 960 HA GLN 960 -3.013 7.920 -2.828 107 HB2 GLN 960 2HB GLN 960 -1.683 9.469 -0.597 108 HB3 GLN 960 1HB GLN 960 -1.751 10.031 -2.269 109 HG2 GLN 960 2HG GLN 960 -4.198 9.288 -0.647 110 HG3 GLN 960 1HG GLN 960 -3.591 10.937 -0.799 111 HE21 GLN 960 1HE2 GLN 960 -5.839 8.860 -2.127 112 HE22 GLN 960 2HE2 GLN 960 -5.967 9.552 -3.671 113 H ASP 961 H ASP 961 -0.438 7.088 -0.616 114 HA ASP 961 HA ASP 961 1.718 7.389 -2.416 115 HB2 ASP 961 2HB ASP 961 1.373 5.774 0.109 116 HB3 ASP 961 1HB ASP 961 2.889 5.831 -0.787 117 H ILE 962 H ILE 962 -0.396 4.621 -1.679 118 HA ILE 962 HA ILE 962 1.156 2.791 -3.219 119 HB ILE 962 HB ILE 962 -0.777 2.367 -1.396 120 HG12 ILE 962 2HG1 ILE 962 -0.396 0.513 -3.767 121 HG13 ILE 962 1HG1 ILE 962 0.757 0.662 -2.445 122 HG21 ILE 962 1HG2 ILE 962 -2.526 3.311 -2.964 123 HG22 ILE 962 2HG2 ILE 962 -2.873 1.699 -2.370 124 HG23 ILE 962 3HG2 ILE 962 -2.255 1.930 -4.003 125 HD11 ILE 962 3HD1 ILE 962 -1.008 0.006 -0.839 126 HD12 ILE 962 1HD1 ILE 962 -0.737 -1.245 -2.052 127 HD13 ILE 962 2HD1 ILE 962 -2.141 -0.184 -2.175 128 H ILE 963 H ILE 963 -1.542 4.939 -3.897 129 HA ILE 963 HA ILE 963 -2.119 4.040 -6.515 130 HB ILE 963 HB ILE 963 -2.412 6.747 -5.210 131 HG12 ILE 963 2HG1 ILE 963 -4.434 4.638 -5.956 132 HG13 ILE 963 1HG1 ILE 963 -3.714 4.769 -4.361 133 HG21 ILE 963 1HG2 ILE 963 -2.321 7.188 -7.562 134 HG22 ILE 963 2HG2 ILE 963 -4.033 7.136 -7.145 135 HG23 ILE 963 3HG2 ILE 963 -3.277 5.755 -7.939 136 HD11 ILE 963 3HD1 ILE 963 -4.748 6.844 -3.927 137 HD12 ILE 963 1HD1 ILE 963 -6.005 5.923 -4.745 138 HD13 ILE 963 2HD1 ILE 963 -5.085 7.138 -5.630 139 H ARG 964 H ARG 964 0.145 6.446 -5.260 140 HA ARG 964 HA ARG 964 1.145 7.372 -7.724 141 HB2 ARG 964 2HB ARG 964 1.634 8.424 -5.524 142 HB3 ARG 964 1HB ARG 964 2.633 7.033 -5.103 143 HG2 ARG 964 2HG ARG 964 4.100 7.499 -7.037 144 HG3 ARG 964 1HG ARG 964 3.101 8.893 -7.454 145 HD2 ARG 964 2HD ARG 964 5.053 9.634 -6.177 146 HD3 ARG 964 1HD ARG 964 3.592 9.878 -5.224 147 HE ARG 964 HE ARG 964 4.681 7.328 -4.651 148 HH11 ARG 964 1HH2 ARG 964 5.279 10.711 -4.213 149 HH12 ARG 964 2HH2 ARG 964 6.118 10.504 -2.711 150 HH21 ARG 964 1HH1 ARG 964 5.777 7.054 -2.688 151 HH22 ARG 964 2HH1 ARG 964 6.403 8.435 -1.849 152 H ASP 965 H ASP 965 2.040 4.641 -5.657 153 HA ASP 965 HA ASP 965 4.274 3.754 -7.135 154 HB2 ASP 965 2HB ASP 965 3.612 3.066 -4.799 155 HB3 ASP 965 1HB ASP 965 2.402 2.013 -5.526 156 H TRP 966 H TRP 966 0.804 2.921 -7.423 157 HA TRP 966 HA TRP 966 1.297 0.924 -9.434 158 HB2 TRP 966 2HB TRP 966 -1.274 2.360 -8.741 159 HB3 TRP 966 1HB TRP 966 -1.143 0.963 -9.804 160 HD1 TRP 966 HD TRP 966 -2.084 1.744 -6.470 161 HE1 TRP 966 HE1 TRP 966 -1.866 -0.255 -4.886 162 HE3 TRP 966 HE3 TRP 966 0.870 -1.320 -9.316 163 HZ2 TRP 966 HZ2 TRP 966 -0.591 -2.816 -4.810 164 HZ3 TRP 966 HZ3 TRP 966 1.565 -3.529 -8.453 165 HH2 TRP 966 HH TRP 966 0.838 -4.285 -6.208 166 H ARG 967 H ARG 967 1.586 4.212 -9.535 167 HA ARG 967 HA ARG 967 1.677 5.778 -11.218 168 HB2 ARG 967 2HB ARG 967 2.067 3.282 -12.885 169 HB3 ARG 967 1HB ARG 967 2.415 4.930 -13.414 170 HG2 ARG 967 2HG ARG 967 4.073 5.189 -11.632 171 HG3 ARG 967 1HG ARG 967 3.691 3.578 -11.018 172 HD2 ARG 967 2HD ARG 967 5.698 3.440 -12.390 173 HD3 ARG 967 1HD ARG 967 4.376 2.625 -13.223 174 HE ARG 967 HE ARG 967 4.441 4.279 -14.861 175 HH11 ARG 967 1HH2 ARG 967 6.293 5.172 -12.079 176 HH12 ARG 967 2HH2 ARG 967 6.999 6.565 -12.826 177 HH21 ARG 967 1HH1 ARG 967 5.365 6.102 -15.848 178 HH22 ARG 967 2HH1 ARG 967 6.475 7.092 -14.960 179 H LYS 968 H LYS 968 -0.988 4.832 -10.521 180 HA LYS 968 HA LYS 968 -2.381 5.762 -12.906 181 HB2 LYS 968 2HB LYS 968 -3.927 3.851 -12.982 182 HB3 LYS 968 1HB LYS 968 -2.270 3.337 -13.291 183 HG2 LYS 968 2HG LYS 968 -2.057 2.749 -10.884 184 HG3 LYS 968 1HG LYS 968 -3.762 3.104 -10.664 185 HD2 LYS 968 2HD LYS 968 -2.652 1.051 -12.605 186 HD3 LYS 968 1HD LYS 968 -3.333 0.671 -11.024 187 HE2 LYS 968 2HE LYS 968 -4.742 1.726 -13.471 188 HE3 LYS 968 1HE LYS 968 -5.133 0.316 -12.493 189 HZ1 LYS 968 3HZ LYS 968 -5.363 3.143 -11.618 190 HZ2 LYS 968 1HZ LYS 968 -5.737 1.783 -10.674 191 HZ3 LYS 968 2HZ LYS 968 -6.655 2.134 -12.060 192 H GLU 969 H GLU 969 -4.926 4.627 -11.772 193 HA GLU 969 HA GLU 969 -5.178 6.158 -9.268 194 HB2 GLU 969 2HB GLU 969 -5.758 7.640 -11.209 195 HB3 GLU 969 1HB GLU 969 -7.048 6.515 -11.622 196 HG2 GLU 969 2HG GLU 969 -6.830 7.750 -8.870 197 HG3 GLU 969 1HG GLU 969 -7.694 8.546 -10.182 198 H MET 970 H MET 970 -6.561 5.289 -7.840 199 HA MET 970 HA MET 970 -8.558 3.329 -8.695 200 HB2 MET 970 2HB MET 970 -7.809 1.572 -7.272 201 HB3 MET 970 1HB MET 970 -6.408 2.077 -8.209 202 HG2 MET 970 2HG MET 970 -5.259 2.498 -6.297 203 HG3 MET 970 1HG MET 970 -6.471 3.658 -5.785 204 HE1 MET 970 3HE MET 970 -5.514 -0.315 -4.014 205 HE2 MET 970 1HE MET 970 -4.521 1.029 -4.592 206 HE3 MET 970 2HE MET 970 -5.296 -0.060 -5.737 207 H THR 971 H THR 971 -9.482 2.460 -6.305 208 HA THR 971 HA THR 971 -10.169 4.965 -4.854 209 HB THR 971 HB THR 971 -12.350 3.932 -4.392 210 HG1 THR 971 HG1 THR 971 -12.840 2.009 -5.582 211 HG21 THR 971 3HG2 THR 971 -11.595 3.950 -7.327 212 HG22 THR 971 1HG2 THR 971 -12.088 5.352 -6.374 213 HG23 THR 971 2HG2 THR 971 -13.238 4.052 -6.691 214 H VAL 972 H VAL 972 -10.835 4.636 -2.606 215 HA VAL 972 HA VAL 972 -8.884 3.276 -1.099 216 HB VAL 972 HB VAL 972 -11.589 4.450 -0.428 217 HG11 VAL 972 1HG1 VAL 972 -9.732 2.835 1.314 218 HG12 VAL 972 2HG1 VAL 972 -11.486 2.750 1.214 219 HG13 VAL 972 3HG1 VAL 972 -10.713 4.117 2.023 220 HG21 VAL 972 3HG2 VAL 972 -9.780 6.024 -0.892 221 HG22 VAL 972 1HG2 VAL 972 -8.720 5.182 0.240 222 HG23 VAL 972 2HG2 VAL 972 -10.135 6.047 0.835 223 H GLN 973 H GLN 973 -12.231 2.439 -1.949 224 HA GLN 973 HA GLN 973 -12.523 0.147 -0.433 225 HB2 GLN 973 2HB GLN 973 -13.646 1.069 -3.065 226 HB3 GLN 973 1HB GLN 973 -14.006 -0.559 -2.506 227 HG2 GLN 973 2HG GLN 973 -15.760 0.969 -1.753 228 HG3 GLN 973 1HG GLN 973 -14.847 0.395 -0.359 229 HE21 GLN 973 1HE2 GLN 973 -13.964 1.990 0.985 230 HE22 GLN 973 2HE2 GLN 973 -13.832 3.630 0.568 231 H GLN 974 H GLN 974 -11.089 0.501 -3.669 232 HA GLN 974 HA GLN 974 -10.602 -2.226 -4.158 233 HB2 GLN 974 2HB GLN 974 -9.422 0.356 -5.140 234 HB3 GLN 974 1HB GLN 974 -8.622 -1.159 -5.560 235 HG2 GLN 974 2HG GLN 974 -10.330 -0.333 -7.237 236 HG3 GLN 974 1HG GLN 974 -10.568 -1.984 -6.680 237 HE21 GLN 974 1HE2 GLN 974 -12.314 0.667 -7.443 238 HE22 GLN 974 2HE2 GLN 974 -13.607 0.510 -6.356 239 H PHE 975 H PHE 975 -8.524 0.260 -2.670 240 HA PHE 975 HA PHE 975 -6.329 -1.453 -2.144 241 HB2 PHE 975 2HB PHE 975 -5.964 0.914 -2.089 242 HB3 PHE 975 1HB PHE 975 -7.218 1.143 -0.877 243 HD1 PHE 975 HD1 PHE 975 -4.173 -1.025 -1.326 244 HD2 PHE 975 HD2 PHE 975 -6.432 1.526 1.296 245 HE1 PHE 975 HE1 PHE 975 -2.489 -1.366 0.463 246 HE2 PHE 975 HE2 PHE 975 -4.749 1.182 3.081 247 HZ PHE 975 HZ PHE 975 -2.777 -0.265 2.667 248 H LEU 976 H LEU 976 -9.120 -0.496 -0.193 249 HA LEU 976 HA LEU 976 -8.432 -1.805 2.168 250 HB2 LEU 976 2HB LEU 976 -10.191 -0.118 2.036 251 HB3 LEU 976 1HB LEU 976 -11.139 -1.147 0.967 252 HG LEU 976 HG LEU 976 -11.440 -2.780 2.730 253 HD11 LEU 976 1HD1 LEU 976 -10.593 -2.007 5.086 254 HD12 LEU 976 2HD1 LEU 976 -9.461 -1.027 4.169 255 HD13 LEU 976 3HD1 LEU 976 -9.458 -2.781 3.994 256 HD21 LEU 976 3HD2 LEU 976 -11.917 -0.037 3.913 257 HD22 LEU 976 1HD2 LEU 976 -12.873 -1.496 4.171 258 HD23 LEU 976 2HD2 LEU 976 -12.891 -0.697 2.600 259 H ASP 977 H ASP 977 -10.164 -2.878 -0.694 260 HA ASP 977 HA ASP 977 -10.877 -5.461 0.272 261 HB2 ASP 977 2HB ASP 977 -11.888 -4.285 -1.719 262 HB3 ASP 977 1HB ASP 977 -10.398 -4.621 -2.596 263 H LEU 978 H LEU 978 -8.172 -4.171 -1.615 264 HA LEU 978 HA LEU 978 -6.848 -6.605 -2.115 265 HB2 LEU 978 2HB LEU 978 -6.315 -4.651 -3.406 266 HB3 LEU 978 1HB LEU 978 -5.839 -3.762 -1.964 267 HG LEU 978 HG LEU 978 -3.926 -5.250 -1.627 268 HD11 LEU 978 1HD1 LEU 978 -3.446 -6.921 -3.522 269 HD12 LEU 978 2HD1 LEU 978 -5.143 -6.745 -3.957 270 HD13 LEU 978 3HD1 LEU 978 -4.698 -7.375 -2.370 271 HD21 LEU 978 3HD2 LEU 978 -2.614 -4.558 -3.515 272 HD22 LEU 978 1HD2 LEU 978 -3.828 -3.303 -3.254 273 HD23 LEU 978 2HD2 LEU 978 -4.040 -4.477 -4.552 274 H LYS 979 H LYS 979 -6.321 -4.178 0.477 275 HA LYS 979 HA LYS 979 -4.216 -5.650 1.686 276 HB2 LYS 979 2HB LYS 979 -4.300 -4.079 3.434 277 HB3 LYS 979 1HB LYS 979 -4.807 -3.166 2.015 278 HG2 LYS 979 2HG LYS 979 -7.179 -3.666 2.660 279 HG3 LYS 979 1HG LYS 979 -6.581 -4.315 4.171 280 HD2 LYS 979 2HD LYS 979 -5.909 -1.523 3.224 281 HD3 LYS 979 1HD LYS 979 -7.317 -1.871 4.218 282 HE2 LYS 979 2HE LYS 979 -5.791 -2.946 5.898 283 HE3 LYS 979 1HE LYS 979 -4.423 -2.360 4.950 284 HZ1 LYS 979 3HZ LYS 979 -4.620 -0.416 5.949 285 HZ2 LYS 979 1HZ LYS 979 -5.961 -0.965 6.832 286 HZ3 LYS 979 2HZ LYS 979 -6.185 -0.232 5.315 287 H GLU 980 H GLU 980 -7.731 -5.677 2.033 288 HA GLU 980 HA GLU 980 -7.895 -7.214 4.364 289 HB2 GLU 980 2HB GLU 980 -9.861 -6.225 3.207 290 HB3 GLU 980 1HB GLU 980 -9.677 -7.415 1.917 291 HG2 GLU 980 2HG GLU 980 -10.010 -9.241 3.521 292 HG3 GLU 980 1HG GLU 980 -10.133 -8.075 4.840 293 H ARG 981 H ARG 981 -7.816 -8.335 0.955 294 HA ARG 981 HA ARG 981 -7.564 -11.080 1.640 295 HB2 ARG 981 2HB ARG 981 -6.928 -9.560 -0.887 296 HB3 ARG 981 1HB ARG 981 -6.714 -11.303 -0.751 297 HG2 ARG 981 2HG ARG 981 -9.148 -11.429 -0.013 298 HG3 ARG 981 1HG ARG 981 -9.289 -9.733 -0.476 299 HD2 ARG 981 2HD ARG 981 -8.341 -11.938 -2.318 300 HD3 ARG 981 1HD ARG 981 -9.986 -11.318 -2.286 301 HE ARG 981 HE ARG 981 -7.628 -9.965 -3.357 302 HH11 ARG 981 1HH2 ARG 981 -10.927 -9.779 -2.312 303 HH12 ARG 981 2HH2 ARG 981 -11.277 -8.349 -3.223 304 HH21 ARG 981 1HH1 ARG 981 -8.085 -8.087 -4.553 305 HH22 ARG 981 2HH1 ARG 981 -9.671 -7.395 -4.495 306 H ALA 982 H ALA 982 -5.114 -8.617 0.826 307 HA ALA 982 HA ALA 982 -2.885 -10.322 0.796 308 HB1 ALA 982 3HB ALA 982 -1.638 -8.394 0.642 309 HB2 ALA 982 1HB ALA 982 -2.521 -7.590 1.936 310 HB3 ALA 982 2HB ALA 982 -3.219 -7.697 0.340 311 H LEU 983 H LEU 983 -4.257 -8.442 3.475 312 HA LEU 983 HA LEU 983 -2.419 -9.385 5.392 313 HB2 LEU 983 2HB LEU 983 -5.032 -7.922 5.504 314 HB3 LEU 983 1HB LEU 983 -4.371 -8.587 6.990 315 HG LEU 983 HG LEU 983 -2.389 -7.277 6.816 316 HD11 LEU 983 1HD1 LEU 983 -3.254 -6.785 3.989 317 HD12 LEU 983 2HD1 LEU 983 -1.700 -7.341 4.582 318 HD13 LEU 983 3HD1 LEU 983 -2.174 -5.659 4.791 319 HD21 LEU 983 3HD2 LEU 983 -4.850 -5.683 6.068 320 HD22 LEU 983 1HD2 LEU 983 -3.338 -4.935 6.576 321 HD23 LEU 983 2HD2 LEU 983 -4.214 -5.984 7.685 322 H SER 984 H SER 984 -5.288 -10.724 3.994 323 HA SER 984 HA SER 984 -5.847 -12.554 6.158 324 HB2 SER 984 2HB SER 984 -7.532 -13.466 4.735 325 HB3 SER 984 1HB SER 984 -7.549 -11.727 4.468 326 HG SER 984 HG SER 984 -7.548 -12.905 2.504 327 H GLY 985 H GLY 985 -3.383 -12.383 3.954 328 HA2 GLY 985 2HA GLY 985 -1.612 -13.940 3.851 329 HA3 GLY 985 1HA GLY 985 -2.714 -15.213 4.353 330 H ALA 986 H ALA 986 -3.528 -12.990 1.757 331 HA ALA 986 HA ALA 986 -3.970 -15.142 -0.077 332 HB1 ALA 986 3HB ALA 986 -3.681 -12.242 -0.852 333 HB2 ALA 986 1HB ALA 986 -5.121 -12.868 -0.070 334 HB3 ALA 986 2HB ALA 986 -4.641 -13.499 -1.633 335 H SER 987 H SER 987 -2.862 -15.544 -2.055 336 HA SER 987 HA SER 987 0.012 -14.869 -1.915 337 HB2 SER 987 2HB SER 987 0.367 -16.886 -3.270 338 HB3 SER 987 1HB SER 987 -0.505 -17.269 -1.789 339 HG SER 987 HG SER 987 -1.446 -18.213 -3.673 340 H ASP 988 H ASP 988 -2.688 -13.818 -3.480 341 HA ASP 988 HA ASP 988 -2.098 -13.802 -6.183 342 HB2 ASP 988 2HB ASP 988 -3.251 -11.542 -6.220 343 HB3 ASP 988 1HB ASP 988 -4.166 -12.834 -5.450 344 HA PRO 989 HA PRO 989 1.759 -11.699 -6.553 345 HB2 PRO 989 2HB PRO 989 1.333 -10.128 -8.821 346 HB3 PRO 989 1HB PRO 989 1.734 -11.854 -8.848 347 HG2 PRO 989 2HG PRO 989 -0.942 -10.543 -9.064 348 HG3 PRO 989 1HG PRO 989 -0.278 -11.905 -9.989 349 HD2 PRO 989 2HD PRO 989 -2.007 -12.334 -7.992 350 HD3 PRO 989 1HD PRO 989 -0.633 -13.433 -8.243 351 H ASP 990 H ASP 990 -1.159 -9.740 -6.717 352 HA ASP 990 HA ASP 990 0.082 -7.236 -6.196 353 HB2 ASP 990 2HB ASP 990 -2.737 -8.233 -5.818 354 HB3 ASP 990 1HB ASP 990 -2.253 -6.575 -5.483 355 H SER 991 H SER 991 -1.183 -9.803 -4.121 356 HA SER 991 HA SER 991 -1.106 -8.338 -1.688 357 HB2 SER 991 2HB SER 991 -2.450 -10.249 -1.606 358 HB3 SER 991 1HB SER 991 -1.230 -11.260 -2.380 359 HG SER 991 HG SER 991 0.042 -10.954 -0.459 360 H GLN 992 H GLN 992 1.170 -10.772 -3.016 361 HA GLN 992 HA GLN 992 3.051 -10.463 -0.913 362 HB2 GLN 992 2HB GLN 992 4.646 -11.491 -2.719 363 HB3 GLN 992 1HB GLN 992 3.318 -12.459 -2.082 364 HG2 GLN 992 2HG GLN 992 2.011 -12.183 -4.000 365 HG3 GLN 992 1HG GLN 992 2.914 -10.778 -4.539 366 HE21 GLN 992 1HE2 GLN 992 4.198 -11.267 -6.311 367 HE22 GLN 992 2HE2 GLN 992 4.971 -12.756 -6.575 368 H ARG 993 H ARG 993 2.740 -8.951 -4.108 369 HA ARG 993 HA ARG 993 5.168 -7.486 -4.003 370 HB2 ARG 993 2HB ARG 993 2.585 -7.064 -5.511 371 HB3 ARG 993 1HB ARG 993 3.972 -5.985 -5.683 372 HG2 ARG 993 2HG ARG 993 5.381 -7.824 -6.414 373 HG3 ARG 993 1HG ARG 993 4.087 -8.985 -6.115 374 HD2 ARG 993 2HD ARG 993 4.166 -8.471 -8.497 375 HD3 ARG 993 1HD ARG 993 2.689 -7.801 -7.809 376 HE ARG 993 HE ARG 993 4.767 -5.858 -7.750 377 HH11 ARG 993 1HH2 ARG 993 2.581 -7.527 -9.850 378 HH12 ARG 993 2HH2 ARG 993 2.530 -6.260 -11.030 379 HH21 ARG 993 1HH1 ARG 993 4.699 -4.190 -9.290 380 HH22 ARG 993 2HH1 ARG 993 3.728 -4.369 -10.713 381 H TYR 994 H TYR 994 1.873 -6.794 -2.940 382 HA TYR 994 HA TYR 994 2.259 -4.109 -2.219 383 HB2 TYR 994 2HB TYR 994 0.020 -4.884 -2.358 384 HB3 TYR 994 1HB TYR 994 0.336 -6.239 -1.282 385 HD1 TYR 994 HD1 TYR 994 1.458 -2.700 -0.685 386 HD2 TYR 994 HD2 TYR 994 -1.318 -5.815 0.369 387 HE1 TYR 994 HE1 TYR 994 0.703 -1.373 1.254 388 HE2 TYR 994 HE2 TYR 994 -2.071 -4.472 2.310 389 HH TYR 994 HH TYR 994 -0.483 -1.427 3.169 390 H ASN 995 H ASN 995 2.621 -7.121 -0.369 391 HA ASN 995 HA ASN 995 3.299 -5.937 2.101 392 HB2 ASN 995 2HB ASN 995 3.865 -8.630 0.864 393 HB3 ASN 995 1HB ASN 995 4.506 -8.202 2.450 394 HD21 ASN 995 1HD2 ASN 995 1.632 -9.176 0.727 395 HD22 ASN 995 2HD2 ASN 995 0.584 -9.159 2.064 396 H ALA 996 H ALA 996 5.251 -6.937 -0.689 397 HA ALA 996 HA ALA 996 7.773 -6.349 0.460 398 HB1 ALA 996 3HB ALA 996 7.006 -6.157 -2.440 399 HB2 ALA 996 1HB ALA 996 7.465 -7.660 -1.648 400 HB3 ALA 996 2HB ALA 996 8.627 -6.338 -1.798 401 H TRP 997 H TRP 997 5.499 -4.435 -1.481 402 HA TRP 997 HA TRP 997 7.049 -2.161 -1.808 403 HB2 TRP 997 2HB TRP 997 4.897 -2.391 -2.922 404 HB3 TRP 997 1HB TRP 997 4.057 -2.378 -1.371 405 HD1 TRP 997 HD TRP 997 6.330 -0.091 -3.491 406 HE1 TRP 997 HE1 TRP 997 5.692 2.357 -2.999 407 HE3 TRP 997 HE3 TRP 997 2.830 -0.807 0.158 408 HZ2 TRP 997 HZ2 TRP 997 3.933 3.815 -1.289 409 HZ3 TRP 997 HZ3 TRP 997 1.688 1.130 1.201 410 HH2 TRP 997 HH TRP 997 2.236 3.439 0.484 411 H LEU 998 H LEU 998 5.009 -3.165 0.911 412 HA LEU 998 HA LEU 998 5.418 -0.837 2.496 413 HB2 LEU 998 2HB LEU 998 4.793 -3.705 3.256 414 HB3 LEU 998 1HB LEU 998 4.857 -2.389 4.420 415 HG LEU 998 HG LEU 998 3.070 -2.354 1.972 416 HD11 LEU 998 1HD1 LEU 998 1.260 -2.824 3.772 417 HD12 LEU 998 2HD1 LEU 998 2.598 -3.413 4.759 418 HD13 LEU 998 3HD1 LEU 998 2.237 -4.180 3.213 419 HD21 LEU 998 3HD2 LEU 998 3.223 -0.134 2.725 420 HD22 LEU 998 1HD2 LEU 998 3.407 -0.607 4.413 421 HD23 LEU 998 2HD2 LEU 998 1.831 -0.713 3.632 422 H GLU 999 H GLU 999 7.181 -3.884 2.087 423 HA GLU 999 HA GLU 999 9.067 -3.469 4.158 424 HB2 GLU 999 2HB GLU 999 8.780 -5.661 3.081 425 HB3 GLU 999 1HB GLU 999 9.390 -5.016 1.559 426 HG2 GLU 999 2HG GLU 999 11.554 -4.536 2.590 427 HG3 GLU 999 1HG GLU 999 10.951 -5.064 4.160 428 H LEU1000 H LEU1000 9.015 -2.499 0.743 429 HA LEU1000 HA LEU1000 11.642 -1.489 0.599 430 HB2 LEU1000 2HB LEU1000 9.165 -0.559 -0.884 431 HB3 LEU1000 1HB LEU1000 10.818 -0.152 -1.319 432 HG LEU1000 HG LEU1000 9.634 -2.940 -1.287 433 HD11 LEU1000 1HD1 LEU1000 8.902 -1.318 -3.107 434 HD12 LEU1000 2HD1 LEU1000 9.658 -2.811 -3.672 435 HD13 LEU1000 3HD1 LEU1000 10.584 -1.311 -3.642 436 HD21 LEU1000 3HD2 LEU1000 12.405 -1.891 -1.819 437 HD22 LEU1000 1HD2 LEU1000 11.848 -3.377 -2.584 438 HD23 LEU1000 2HD2 LEU1000 11.921 -3.270 -0.828 439 H ARG1001 H ARG1001 8.554 0.141 1.411 440 HA ARG1001 HA ARG1001 9.874 2.654 1.792 441 HB2 ARG1001 2HB ARG1001 7.843 3.569 2.250 442 HB3 ARG1001 1HB ARG1001 7.352 2.188 1.274 443 HG2 ARG1001 2HG ARG1001 6.960 0.920 3.417 444 HG3 ARG1001 1HG ARG1001 7.261 2.413 4.301 445 HD2 ARG1001 2HD ARG1001 5.424 3.502 3.032 446 HD3 ARG1001 1HD ARG1001 5.091 1.966 2.237 447 HE ARG1001 HE ARG1001 5.021 1.439 4.959 448 HH11 ARG1001 1HH2 ARG1001 3.401 3.501 2.696 449 HH12 ARG1001 2HH2 ARG1001 1.904 3.505 3.569 450 HH21 ARG1001 1HH1 ARG1001 3.063 1.438 6.096 451 HH22 ARG1001 2HH1 ARG1001 1.713 2.336 5.493 452 H ALA1002 H ALA1002 9.067 -0.038 3.815 453 HA ALA1002 HA ALA1002 9.394 1.188 6.332 454 HB1 ALA1002 3HB ALA1002 8.374 -1.042 6.043 455 HB2 ALA1002 1HB ALA1002 9.720 -1.094 7.182 456 HB3 ALA1002 2HB ALA1002 9.935 -1.685 5.535 457 H LYS1003 H LYS1003 11.661 -0.374 4.110 458 HA LYS1003 HA LYS1003 13.903 0.059 5.911 459 HB2 LYS1003 2HB LYS1003 15.266 -1.018 4.300 460 HB3 LYS1003 1HB LYS1003 13.740 -1.893 4.289 461 HG2 LYS1003 2HG LYS1003 13.036 -0.711 2.291 462 HG3 LYS1003 1HG LYS1003 14.506 0.254 2.287 463 HD2 LYS1003 2HD LYS1003 15.811 -1.909 2.170 464 HD3 LYS1003 1HD LYS1003 14.276 -2.740 1.926 465 HE2 LYS1003 2HE LYS1003 13.852 -1.416 -0.089 466 HE3 LYS1003 1HE LYS1003 15.341 -0.514 0.165 467 HZ1 LYS1003 3HZ LYS1003 16.608 -2.229 -0.525 468 HZ2 LYS1003 1HZ LYS1003 15.202 -2.663 -1.368 469 HZ3 LYS1003 2HZ LYS1003 15.570 -3.414 0.110 470 H ARG1004 H ARG1004 12.301 1.727 3.360 471 HA ARG1004 HA ARG1004 14.303 3.400 2.370 472 HB2 ARG1004 2HB ARG1004 12.023 3.151 1.442 473 HB3 ARG1004 1HB ARG1004 11.385 4.074 2.799 474 HG2 ARG1004 2HG ARG1004 12.820 5.988 2.109 475 HG3 ARG1004 1HG ARG1004 13.340 5.038 0.726 476 HD2 ARG1004 2HD ARG1004 10.933 4.826 0.048 477 HD3 ARG1004 1HD ARG1004 10.536 5.977 1.321 478 HE ARG1004 HE ARG1004 12.590 6.948 -0.443 479 HH11 ARG1004 1HH2 ARG1004 9.185 6.548 0.040 480 HH12 ARG1004 2HH2 ARG1004 8.743 7.816 -1.055 481 HH21 ARG1004 1HH1 ARG1004 12.016 8.609 -1.875 482 HH22 ARG1004 2HH1 ARG1004 10.348 8.986 -2.137 483 H LEU1005 H LEU1005 15.474 3.643 4.504 484 HA LEU1005 HA LEU1005 14.504 6.003 6.018 485 HB2 LEU1005 2HB LEU1005 16.025 3.544 6.815 486 HB3 LEU1005 1HB LEU1005 16.404 5.047 7.655 487 HG LEU1005 HG LEU1005 13.986 5.316 8.187 488 HD11 LEU1005 1HD1 LEU1005 12.843 4.126 6.501 489 HD12 LEU1005 2HD1 LEU1005 12.626 3.131 7.935 490 HD13 LEU1005 3HD1 LEU1005 13.828 2.683 6.727 491 HD21 LEU1005 3HD2 LEU1005 15.124 2.640 9.053 492 HD22 LEU1005 1HD2 LEU1005 13.933 3.606 9.926 493 HD23 LEU1005 2HD2 LEU1005 15.587 4.194 9.748 494 H SER1006 H SER1006 15.826 7.756 6.225 495 HA SER1006 HA SER1006 17.570 8.489 4.250 496 HB2 SER1006 2HB SER1006 17.559 9.314 7.157 497 HB3 SER1006 1HB SER1006 18.543 10.103 5.928 498 HG SER1006 HG SER1006 15.763 9.715 5.606 Start of MODEL 11 1 HA2 GLY 945 2HA GLY 945 -23.082 7.251 9.931 2 HA3 GLY 945 1HA GLY 945 -24.387 7.582 8.788 3 H ALA 946 H ALA 946 -21.568 9.191 10.269 4 HA ALA 946 HA ALA 946 -21.295 11.116 8.174 5 HB1 ALA 946 3HB ALA 946 -19.081 11.564 9.242 6 HB2 ALA 946 1HB ALA 946 -19.376 10.205 10.326 7 HB3 ALA 946 2HB ALA 946 -20.429 11.619 10.377 8 H MET 947 H MET 947 -20.830 10.513 6.159 9 HA MET 947 HA MET 947 -19.290 8.152 5.554 10 HB2 MET 947 2HB MET 947 -20.367 10.382 3.817 11 HB3 MET 947 1HB MET 947 -19.524 8.962 3.197 12 HG2 MET 947 2HG MET 947 -21.223 7.488 4.164 13 HG3 MET 947 1HG MET 947 -22.034 8.871 4.895 14 HE1 MET 947 3HE MET 947 -20.590 7.312 1.937 15 HE2 MET 947 1HE MET 947 -20.776 8.614 0.754 16 HE3 MET 947 2HE MET 947 -21.897 7.259 0.761 17 H ALA 948 H ALA 948 -18.453 11.241 6.508 18 HA ALA 948 HA ALA 948 -16.207 11.714 4.802 19 HB1 ALA 948 3HB ALA 948 -17.374 13.514 6.052 20 HB2 ALA 948 1HB ALA 948 -15.639 13.482 6.369 21 HB3 ALA 948 2HB ALA 948 -16.765 12.828 7.558 22 H ILE 949 H ILE 949 -16.258 9.042 6.007 23 HA ILE 949 HA ILE 949 -14.413 8.859 8.136 24 HB ILE 949 HB ILE 949 -14.181 6.489 7.472 25 HG12 ILE 949 2HG1 ILE 949 -15.931 7.300 5.119 26 HG13 ILE 949 1HG1 ILE 949 -14.240 6.819 5.014 27 HG21 ILE 949 1HG2 ILE 949 -17.025 7.544 7.346 28 HG22 ILE 949 2HG2 ILE 949 -16.102 7.275 8.825 29 HG23 ILE 949 3HG2 ILE 949 -16.544 5.909 7.804 30 HD11 ILE 949 3HD1 ILE 949 -15.688 4.920 4.472 31 HD12 ILE 949 1HD1 ILE 949 -16.501 5.078 6.028 32 HD13 ILE 949 2HD1 ILE 949 -14.801 4.610 5.963 33 H ALA 950 H ALA 950 -13.974 8.815 4.618 34 HA ALA 950 HA ALA 950 -12.033 8.741 3.341 35 HB1 ALA 950 3HB ALA 950 -10.524 10.652 3.904 36 HB2 ALA 950 1HB ALA 950 -11.455 10.897 5.381 37 HB3 ALA 950 2HB ALA 950 -12.227 11.102 3.808 38 H LEU 951 H LEU 951 -11.984 6.732 5.415 39 HA LEU 951 HA LEU 951 -10.506 5.327 6.492 40 HB2 LEU 951 2HB LEU 951 -9.080 6.428 4.136 41 HB3 LEU 951 1HB LEU 951 -8.028 5.740 5.359 42 HG LEU 951 HG LEU 951 -9.148 3.605 5.223 43 HD11 LEU 951 1HD1 LEU 951 -11.437 3.997 4.936 44 HD12 LEU 951 2HD1 LEU 951 -10.982 3.427 3.340 45 HD13 LEU 951 3HD1 LEU 951 -11.176 5.154 3.632 46 HD21 LEU 951 3HD2 LEU 951 -8.548 2.981 2.981 47 HD22 LEU 951 1HD2 LEU 951 -7.456 4.282 3.457 48 HD23 LEU 951 2HD2 LEU 951 -8.820 4.621 2.394 49 H ARG 952 H ARG 952 -8.381 5.260 7.723 50 HA ARG 952 HA ARG 952 -8.391 7.413 9.595 51 HB2 ARG 952 2HB ARG 952 -6.502 5.072 9.239 52 HB3 ARG 952 1HB ARG 952 -6.454 6.193 10.602 53 HG2 ARG 952 2HG ARG 952 -8.762 5.594 11.202 54 HG3 ARG 952 1HG ARG 952 -8.846 4.500 9.820 55 HD2 ARG 952 2HD ARG 952 -6.990 3.167 10.762 56 HD3 ARG 952 1HD ARG 952 -6.910 4.260 12.138 57 HE ARG 952 HE ARG 952 -8.949 3.372 12.943 58 HH11 ARG 952 1HH2 ARG 952 -8.010 2.010 9.894 59 HH12 ARG 952 2HH2 ARG 952 -9.062 0.643 10.031 60 HH21 ARG 952 1HH1 ARG 952 -10.323 1.594 13.120 61 HH22 ARG 952 2HH1 ARG 952 -10.375 0.405 11.861 62 H ASP 953 H ASP 953 -6.352 8.572 10.209 63 HA ASP 953 HA ASP 953 -5.370 10.083 8.037 64 HB2 ASP 953 2HB ASP 953 -4.404 9.745 10.882 65 HB3 ASP 953 1HB ASP 953 -3.664 10.874 9.749 66 H ASP 954 H ASP 954 -3.964 7.375 9.862 67 HA ASP 954 HA ASP 954 -1.457 7.375 8.518 68 HB2 ASP 954 2HB ASP 954 -2.973 5.216 10.000 69 HB3 ASP 954 1HB ASP 954 -1.336 5.003 9.380 70 H GLU 955 H GLU 955 -4.489 5.634 8.028 71 HA GLU 955 HA GLU 955 -3.612 4.052 5.847 72 HB2 GLU 955 2HB GLU 955 -6.365 4.903 6.745 73 HB3 GLU 955 1HB GLU 955 -6.060 3.718 5.477 74 HG2 GLU 955 2HG GLU 955 -5.001 3.498 8.305 75 HG3 GLU 955 1HG GLU 955 -6.467 2.711 7.741 76 H TYR 956 H TYR 956 -5.182 7.211 6.046 77 HA TYR 956 HA TYR 956 -5.853 7.510 3.333 78 HB2 TYR 956 2HB TYR 956 -6.715 9.025 5.025 79 HB3 TYR 956 1HB TYR 956 -5.084 9.584 5.400 80 HD1 TYR 956 HD1 TYR 956 -7.664 9.452 2.709 81 HD2 TYR 956 HD2 TYR 956 -4.029 11.272 4.102 82 HE1 TYR 956 HE1 TYR 956 -7.826 11.153 0.911 83 HE2 TYR 956 HE2 TYR 956 -4.191 12.973 2.306 84 HH TYR 956 HH TYR 956 -7.028 13.380 0.406 85 H ASP 957 H ASP 957 -2.906 8.368 5.104 86 HA ASP 957 HA ASP 957 -1.553 9.547 2.914 87 HB2 ASP 957 2HB ASP 957 -0.840 9.849 5.261 88 HB3 ASP 957 1HB ASP 957 -0.378 8.150 5.332 89 H GLU 958 H GLU 958 -1.767 6.231 4.101 90 HA GLU 958 HA GLU 958 0.221 5.130 2.403 91 HB2 GLU 958 2HB GLU 958 -0.896 4.113 4.503 92 HB3 GLU 958 1HB GLU 958 -2.174 3.598 3.404 93 HG2 GLU 958 2HG GLU 958 -0.621 1.776 3.526 94 HG3 GLU 958 1HG GLU 958 -0.346 2.552 1.966 95 H TRP 959 H TRP 959 -3.314 5.487 2.044 96 HA TRP 959 HA TRP 959 -3.479 4.088 -0.414 97 HB2 TRP 959 2HB TRP 959 -5.506 4.417 0.783 98 HB3 TRP 959 1HB TRP 959 -5.252 6.152 0.890 99 HD1 TRP 959 HD TRP 959 -5.376 3.656 -2.081 100 HE1 TRP 959 HE1 TRP 959 -6.932 4.665 -3.873 101 HE3 TRP 959 HE3 TRP 959 -6.703 7.973 0.267 102 HZ2 TRP 959 HZ2 TRP 959 -8.542 7.007 -4.245 103 HZ3 TRP 959 HZ3 TRP 959 -8.242 9.584 -0.820 104 HH2 TRP 959 HH TRP 959 -9.166 9.107 -3.075 105 H GLN 960 H GLN 960 -3.136 7.591 0.290 106 HA GLN 960 HA GLN 960 -3.091 8.443 -2.386 107 HB2 GLN 960 2HB GLN 960 -1.662 9.549 0.043 108 HB3 GLN 960 1HB GLN 960 -1.759 10.388 -1.506 109 HG2 GLN 960 2HG GLN 960 -4.170 9.467 0.084 110 HG3 GLN 960 1HG GLN 960 -3.521 11.103 0.143 111 HE21 GLN 960 1HE2 GLN 960 -5.752 9.130 -1.481 112 HE22 GLN 960 2HE2 GLN 960 -5.995 10.112 -2.845 113 H ASP 961 H ASP 961 -0.571 7.184 -0.282 114 HA ASP 961 HA ASP 961 1.628 7.600 -2.014 115 HB2 ASP 961 2HB ASP 961 1.072 5.817 0.339 116 HB3 ASP 961 1HB ASP 961 2.528 5.541 -0.611 117 H ILE 962 H ILE 962 -0.749 4.976 -1.747 118 HA ILE 962 HA ILE 962 0.668 3.221 -3.477 119 HB ILE 962 HB ILE 962 -1.501 2.883 -1.827 120 HG12 ILE 962 2HG1 ILE 962 -1.784 0.632 -3.198 121 HG13 ILE 962 1HG1 ILE 962 -0.398 1.240 -4.103 122 HG21 ILE 962 1HG2 ILE 962 -3.088 3.957 -3.394 123 HG22 ILE 962 2HG2 ILE 962 -3.445 2.253 -3.217 124 HG23 ILE 962 3HG2 ILE 962 -2.620 2.838 -4.653 125 HD11 ILE 962 3HD1 ILE 962 -0.474 0.915 -1.090 126 HD12 ILE 962 1HD1 ILE 962 0.919 1.405 -2.053 127 HD13 ILE 962 2HD1 ILE 962 0.275 -0.226 -2.206 128 H ILE 963 H ILE 963 -1.729 5.748 -3.967 129 HA ILE 963 HA ILE 963 -2.287 5.283 -6.691 130 HB ILE 963 HB ILE 963 -2.175 7.857 -5.112 131 HG12 ILE 963 2HG1 ILE 963 -4.526 6.201 -6.005 132 HG13 ILE 963 1HG1 ILE 963 -3.811 6.091 -4.406 133 HG21 ILE 963 1HG2 ILE 963 -1.999 8.466 -7.426 134 HG22 ILE 963 2HG2 ILE 963 -3.683 8.707 -6.973 135 HG23 ILE 963 3HG2 ILE 963 -3.213 7.280 -7.895 136 HD11 ILE 963 3HD1 ILE 963 -5.455 7.640 -3.952 137 HD12 ILE 963 1HD1 ILE 963 -5.478 8.261 -5.597 138 HD13 ILE 963 2HD1 ILE 963 -4.205 8.756 -4.483 139 H ARG 964 H ARG 964 0.179 7.231 -5.062 140 HA ARG 964 HA ARG 964 1.421 8.251 -7.379 141 HB2 ARG 964 2HB ARG 964 1.809 9.084 -5.059 142 HB3 ARG 964 1HB ARG 964 2.703 7.603 -4.712 143 HG2 ARG 964 2HG ARG 964 4.314 8.133 -6.492 144 HG3 ARG 964 1HG ARG 964 3.417 9.606 -6.876 145 HD2 ARG 964 2HD ARG 964 3.790 10.353 -4.497 146 HD3 ARG 964 1HD ARG 964 4.836 8.955 -4.280 147 HE ARG 964 HE ARG 964 6.457 9.987 -5.621 148 HH11 ARG 964 1HH2 ARG 964 3.457 11.712 -5.639 149 HH12 ARG 964 2HH2 ARG 964 4.113 13.124 -6.397 150 HH21 ARG 964 1HH1 ARG 964 7.327 11.831 -6.611 151 HH22 ARG 964 2HH1 ARG 964 6.310 13.193 -6.948 152 H ASP 965 H ASP 965 1.867 5.273 -5.538 153 HA ASP 965 HA ASP 965 4.169 4.310 -6.839 154 HB2 ASP 965 2HB ASP 965 3.179 3.409 -4.719 155 HB3 ASP 965 1HB ASP 965 1.927 2.644 -5.697 156 H TRP 966 H TRP 966 0.699 3.686 -7.580 157 HA TRP 966 HA TRP 966 1.378 2.001 -9.821 158 HB2 TRP 966 2HB TRP 966 -1.299 3.321 -9.396 159 HB3 TRP 966 1HB TRP 966 -0.942 1.808 -10.228 160 HD1 TRP 966 HD TRP 966 -2.292 2.991 -7.124 161 HE1 TRP 966 HE1 TRP 966 -2.173 1.207 -5.278 162 HE3 TRP 966 HE3 TRP 966 1.017 -0.260 -9.257 163 HZ2 TRP 966 HZ2 TRP 966 -0.853 -1.277 -4.763 164 HZ3 TRP 966 HZ3 TRP 966 1.686 -2.329 -8.064 165 HH2 TRP 966 HH TRP 966 0.755 -2.841 -5.821 166 H ARG 967 H ARG 967 1.557 5.282 -9.383 167 HA ARG 967 HA ARG 967 1.725 7.087 -10.794 168 HB2 ARG 967 2HB ARG 967 2.317 4.918 -12.827 169 HB3 ARG 967 1HB ARG 967 2.737 6.628 -12.972 170 HG2 ARG 967 2HG ARG 967 4.126 6.461 -10.942 171 HG3 ARG 967 1HG ARG 967 3.708 4.756 -10.795 172 HD2 ARG 967 2HD ARG 967 4.688 4.413 -13.099 173 HD3 ARG 967 1HD ARG 967 5.290 6.068 -13.018 174 HE ARG 967 HE ARG 967 6.287 3.780 -11.517 175 HH11 ARG 967 1HH2 ARG 967 6.144 7.219 -11.907 176 HH12 ARG 967 2HH2 ARG 967 7.563 7.520 -10.958 177 HH21 ARG 967 1HH1 ARG 967 8.159 4.168 -10.302 178 HH22 ARG 967 2HH1 ARG 967 8.706 5.793 -10.055 179 H LYS 968 H LYS 968 -0.854 5.329 -10.686 180 HA LYS 968 HA LYS 968 -2.286 6.907 -12.695 181 HB2 LYS 968 2HB LYS 968 -3.469 5.019 -13.621 182 HB3 LYS 968 1HB LYS 968 -1.739 4.730 -13.801 183 HG2 LYS 968 2HG LYS 968 -1.824 3.400 -11.662 184 HG3 LYS 968 1HG LYS 968 -3.580 3.546 -11.699 185 HD2 LYS 968 2HD LYS 968 -1.990 2.420 -14.019 186 HD3 LYS 968 1HD LYS 968 -2.613 1.407 -12.721 187 HE2 LYS 968 2HE LYS 968 -4.914 2.380 -13.218 188 HE3 LYS 968 1HE LYS 968 -4.205 3.098 -14.665 189 HZ1 LYS 968 3HZ LYS 968 -3.360 0.687 -15.044 190 HZ2 LYS 968 1HZ LYS 968 -4.946 1.112 -15.471 191 HZ3 LYS 968 2HZ LYS 968 -4.654 0.270 -14.024 192 H GLU 969 H GLU 969 -4.525 7.126 -12.237 193 HA GLU 969 HA GLU 969 -5.095 7.179 -9.443 194 HB2 GLU 969 2HB GLU 969 -5.961 8.846 -11.072 195 HB3 GLU 969 1HB GLU 969 -6.991 7.591 -11.763 196 HG2 GLU 969 2HG GLU 969 -8.124 7.290 -9.617 197 HG3 GLU 969 1HG GLU 969 -7.053 8.471 -8.863 198 H MET 970 H MET 970 -6.332 5.894 -8.206 199 HA MET 970 HA MET 970 -7.836 3.652 -9.412 200 HB2 MET 970 2HB MET 970 -6.969 2.116 -7.694 201 HB3 MET 970 1HB MET 970 -5.657 2.717 -8.708 202 HG2 MET 970 2HG MET 970 -4.602 3.503 -6.845 203 HG3 MET 970 1HG MET 970 -5.961 4.569 -6.549 204 HE1 MET 970 3HE MET 970 -4.910 0.597 -4.645 205 HE2 MET 970 1HE MET 970 -4.233 1.365 -6.085 206 HE3 MET 970 2HE MET 970 -5.715 0.423 -6.199 207 H THR 971 H THR 971 -8.686 2.487 -7.056 208 HA THR 971 HA THR 971 -10.140 4.698 -5.696 209 HB THR 971 HB THR 971 -12.027 3.161 -5.446 210 HG1 THR 971 HG1 THR 971 -11.943 1.145 -6.226 211 HG21 THR 971 3HG2 THR 971 -11.009 3.412 -8.288 212 HG22 THR 971 1HG2 THR 971 -11.943 4.620 -7.403 213 HG23 THR 971 2HG2 THR 971 -12.679 3.076 -7.832 214 H VAL 972 H VAL 972 -10.755 4.332 -3.521 215 HA VAL 972 HA VAL 972 -8.724 3.226 -1.882 216 HB VAL 972 HB VAL 972 -11.552 4.168 -1.358 217 HG11 VAL 972 1HG1 VAL 972 -9.686 2.662 0.458 218 HG12 VAL 972 2HG1 VAL 972 -11.442 2.592 0.377 219 HG13 VAL 972 3HG1 VAL 972 -10.649 3.967 1.143 220 HG21 VAL 972 3HG2 VAL 972 -9.933 5.932 -1.724 221 HG22 VAL 972 1HG2 VAL 972 -8.775 5.157 -0.642 222 HG23 VAL 972 2HG2 VAL 972 -10.251 5.861 0.010 223 H GLN 973 H GLN 973 -11.911 2.081 -2.917 224 HA GLN 973 HA GLN 973 -12.220 -0.178 -1.407 225 HB2 GLN 973 2HB GLN 973 -12.844 0.385 -4.301 226 HB3 GLN 973 1HB GLN 973 -13.353 -1.102 -3.509 227 HG2 GLN 973 2HG GLN 973 -14.618 0.176 -1.852 228 HG3 GLN 973 1HG GLN 973 -14.015 1.688 -2.526 229 HE21 GLN 973 1HE2 GLN 973 -16.827 1.105 -2.397 230 HE22 GLN 973 2HE2 GLN 973 -17.402 0.948 -3.984 231 H GLN 974 H GLN 974 -10.419 0.082 -4.480 232 HA GLN 974 HA GLN 974 -9.593 -2.606 -4.624 233 HB2 GLN 974 2HB GLN 974 -8.565 -0.009 -5.743 234 HB3 GLN 974 1HB GLN 974 -7.596 -1.471 -5.928 235 HG2 GLN 974 2HG GLN 974 -9.213 -0.936 -7.829 236 HG3 GLN 974 1HG GLN 974 -9.298 -2.567 -7.176 237 HE21 GLN 974 1HE2 GLN 974 -11.245 -0.052 -8.164 238 HE22 GLN 974 2HE2 GLN 974 -12.619 -0.380 -7.219 239 H PHE 975 H PHE 975 -8.030 0.225 -3.146 240 HA PHE 975 HA PHE 975 -5.692 -1.088 -2.246 241 HB2 PHE 975 2HB PHE 975 -5.723 1.294 -2.325 242 HB3 PHE 975 1HB PHE 975 -7.160 1.381 -1.310 243 HD1 PHE 975 HD1 PHE 975 -3.600 0.188 -1.270 244 HD2 PHE 975 HD2 PHE 975 -6.939 1.621 1.016 245 HE1 PHE 975 HE1 PHE 975 -2.174 0.289 0.758 246 HE2 PHE 975 HE2 PHE 975 -5.515 1.724 3.040 247 HZ PHE 975 HZ PHE 975 -3.130 1.055 2.914 248 H LEU 976 H LEU 976 -8.759 -0.396 -0.611 249 HA LEU 976 HA LEU 976 -8.144 -1.550 1.874 250 HB2 LEU 976 2HB LEU 976 -10.012 0.000 1.542 251 HB3 LEU 976 1HB LEU 976 -10.816 -1.147 0.483 252 HG LEU 976 HG LEU 976 -10.903 -2.754 2.413 253 HD11 LEU 976 1HD1 LEU 976 -9.739 -0.361 3.827 254 HD12 LEU 976 2HD1 LEU 976 -9.205 -2.038 3.880 255 HD13 LEU 976 3HD1 LEU 976 -10.688 -1.567 4.697 256 HD21 LEU 976 3HD2 LEU 976 -12.704 -1.468 3.624 257 HD22 LEU 976 1HD2 LEU 976 -12.876 -1.505 1.869 258 HD23 LEU 976 2HD2 LEU 976 -12.250 -0.060 2.662 259 H ASP 977 H ASP 977 -9.597 -2.891 -1.053 260 HA ASP 977 HA ASP 977 -10.179 -5.461 0.042 261 HB2 ASP 977 2HB ASP 977 -11.173 -4.486 -2.070 262 HB3 ASP 977 1HB ASP 977 -9.619 -4.773 -2.849 263 H LEU 978 H LEU 978 -7.456 -4.025 -1.649 264 HA LEU 978 HA LEU 978 -5.916 -6.338 -2.082 265 HB2 LEU 978 2HB LEU 978 -5.449 -4.294 -3.268 266 HB3 LEU 978 1HB LEU 978 -5.168 -3.430 -1.761 267 HG LEU 978 HG LEU 978 -3.162 -4.732 -1.321 268 HD11 LEU 978 1HD1 LEU 978 -3.668 -6.907 -2.135 269 HD12 LEU 978 2HD1 LEU 978 -2.397 -6.322 -3.204 270 HD13 LEU 978 3HD1 LEU 978 -4.079 -6.300 -3.740 271 HD21 LEU 978 3HD2 LEU 978 -1.793 -3.958 -3.184 272 HD22 LEU 978 1HD2 LEU 978 -3.051 -2.764 -2.857 273 HD23 LEU 978 2HD2 LEU 978 -3.215 -3.863 -4.224 274 H LYS 979 H LYS 979 -5.796 -3.925 0.550 275 HA LYS 979 HA LYS 979 -3.708 -5.268 1.945 276 HB2 LYS 979 2HB LYS 979 -3.977 -3.623 3.615 277 HB3 LYS 979 1HB LYS 979 -4.391 -2.803 2.112 278 HG2 LYS 979 2HG LYS 979 -6.782 -3.261 2.574 279 HG3 LYS 979 1HG LYS 979 -6.333 -3.909 4.143 280 HD2 LYS 979 2HD LYS 979 -5.746 -1.104 3.157 281 HD3 LYS 979 1HD LYS 979 -6.990 -1.537 4.325 282 HE2 LYS 979 2HE LYS 979 -5.288 -0.952 5.784 283 HE3 LYS 979 1HE LYS 979 -4.921 -2.665 5.590 284 HZ1 LYS 979 3HZ LYS 979 -3.772 -0.816 3.643 285 HZ2 LYS 979 1HZ LYS 979 -3.109 -2.220 4.327 286 HZ3 LYS 979 2HZ LYS 979 -3.133 -0.772 5.216 287 H GLU 980 H GLU 980 -7.251 -5.208 2.329 288 HA GLU 980 HA GLU 980 -7.426 -6.742 4.641 289 HB2 GLU 980 2HB GLU 980 -9.372 -5.669 3.527 290 HB3 GLU 980 1HB GLU 980 -9.281 -6.880 2.248 291 HG2 GLU 980 2HG GLU 980 -9.655 -8.672 3.885 292 HG3 GLU 980 1HG GLU 980 -9.681 -7.489 5.191 293 H ARG 981 H ARG 981 -7.427 -7.923 1.251 294 HA ARG 981 HA ARG 981 -7.468 -10.663 1.917 295 HB2 ARG 981 2HB ARG 981 -6.479 -9.184 -0.518 296 HB3 ARG 981 1HB ARG 981 -6.472 -10.945 -0.412 297 HG2 ARG 981 2HG ARG 981 -8.900 -10.940 -0.004 298 HG3 ARG 981 1HG ARG 981 -8.914 -9.176 -0.075 299 HD2 ARG 981 2HD ARG 981 -8.101 -9.254 -2.396 300 HD3 ARG 981 1HD ARG 981 -8.062 -11.014 -2.330 301 HE ARG 981 HE ARG 981 -10.656 -9.991 -1.673 302 HH11 ARG 981 1HH2 ARG 981 -8.458 -10.636 -4.265 303 HH12 ARG 981 2HH2 ARG 981 -9.703 -10.881 -5.444 304 HH21 ARG 981 1HH1 ARG 981 -12.293 -10.317 -3.206 305 HH22 ARG 981 2HH1 ARG 981 -11.878 -10.715 -4.839 306 H ALA 982 H ALA 982 -4.716 -8.517 1.163 307 HA ALA 982 HA ALA 982 -2.708 -10.472 1.373 308 HB1 ALA 982 3HB ALA 982 -1.178 -8.702 1.303 309 HB2 ALA 982 1HB ALA 982 -2.246 -7.620 2.196 310 HB3 ALA 982 2HB ALA 982 -2.601 -8.021 0.533 311 H LEU 983 H LEU 983 -3.879 -8.171 3.798 312 HA LEU 983 HA LEU 983 -2.197 -9.060 5.846 313 HB2 LEU 983 2HB LEU 983 -4.692 -7.411 5.716 314 HB3 LEU 983 1HB LEU 983 -4.177 -7.996 7.290 315 HG LEU 983 HG LEU 983 -2.084 -6.865 7.135 316 HD11 LEU 983 1HD1 LEU 983 -2.749 -6.588 4.223 317 HD12 LEU 983 2HD1 LEU 983 -1.262 -7.145 4.970 318 HD13 LEU 983 3HD1 LEU 983 -1.664 -5.434 4.983 319 HD21 LEU 983 3HD2 LEU 983 -4.271 -5.090 6.017 320 HD22 LEU 983 1HD2 LEU 983 -2.805 -4.516 6.807 321 HD23 LEU 983 2HD2 LEU 983 -3.993 -5.441 7.721 322 H SER 984 H SER 984 -5.158 -10.311 4.551 323 HA SER 984 HA SER 984 -5.806 -11.918 6.861 324 HB2 SER 984 2HB SER 984 -6.853 -11.887 4.027 325 HB3 SER 984 1HB SER 984 -7.435 -13.003 5.259 326 HG SER 984 HG SER 984 -8.437 -10.745 4.896 327 H GLY 985 H GLY 985 -3.372 -12.103 4.652 328 HA2 GLY 985 2HA GLY 985 -1.737 -13.812 4.668 329 HA3 GLY 985 1HA GLY 985 -2.953 -14.957 5.215 330 H ALA 986 H ALA 986 -3.676 -12.842 2.534 331 HA ALA 986 HA ALA 986 -4.221 -15.023 0.779 332 HB1 ALA 986 3HB ALA 986 -3.815 -12.101 0.127 333 HB2 ALA 986 1HB ALA 986 -5.337 -12.844 0.571 334 HB3 ALA 986 2HB ALA 986 -4.555 -13.301 -0.930 335 H SER 987 H SER 987 -3.086 -15.750 -1.017 336 HA SER 987 HA SER 987 -0.206 -15.099 -1.006 337 HB2 SER 987 2HB SER 987 0.094 -17.259 -2.136 338 HB3 SER 987 1HB SER 987 -0.781 -17.463 -0.620 339 HG SER 987 HG SER 987 -2.456 -18.111 -1.709 340 H ASP 988 H ASP 988 -2.973 -14.301 -2.628 341 HA ASP 988 HA ASP 988 -2.563 -14.479 -5.322 342 HB2 ASP 988 2HB ASP 988 -3.489 -12.093 -3.707 343 HB3 ASP 988 1HB ASP 988 -3.612 -12.175 -5.460 344 HA PRO 989 HA PRO 989 1.328 -12.544 -6.198 345 HB2 PRO 989 2HB PRO 989 0.734 -11.170 -8.558 346 HB3 PRO 989 1HB PRO 989 1.119 -12.899 -8.467 347 HG2 PRO 989 2HG PRO 989 -1.548 -11.566 -8.608 348 HG3 PRO 989 1HG PRO 989 -0.981 -13.039 -9.421 349 HD2 PRO 989 2HD PRO 989 -2.565 -13.180 -7.253 350 HD3 PRO 989 1HD PRO 989 -1.266 -14.364 -7.509 351 H ASP 990 H ASP 990 -1.578 -10.587 -6.332 352 HA ASP 990 HA ASP 990 -0.354 -8.038 -6.129 353 HB2 ASP 990 2HB ASP 990 -3.098 -9.048 -5.374 354 HB3 ASP 990 1HB ASP 990 -2.633 -7.353 -5.276 355 H SER 991 H SER 991 -1.470 -10.393 -3.723 356 HA SER 991 HA SER 991 -1.182 -8.729 -1.458 357 HB2 SER 991 2HB SER 991 -2.519 -10.604 -1.111 358 HB3 SER 991 1HB SER 991 -1.361 -11.693 -1.875 359 HG SER 991 HG SER 991 -1.471 -11.698 0.503 360 H GLN 992 H GLN 992 1.022 -11.262 -2.744 361 HA GLN 992 HA GLN 992 2.996 -10.795 -0.769 362 HB2 GLN 992 2HB GLN 992 4.513 -11.852 -2.697 363 HB3 GLN 992 1HB GLN 992 3.357 -12.829 -1.795 364 HG2 GLN 992 2HG GLN 992 1.786 -12.827 -3.525 365 HG3 GLN 992 1HG GLN 992 2.516 -11.440 -4.313 366 HE21 GLN 992 1HE2 GLN 992 1.965 -14.193 -5.415 367 HE22 GLN 992 2HE2 GLN 992 3.464 -14.750 -5.979 368 H ARG 993 H ARG 993 2.423 -9.411 -3.977 369 HA ARG 993 HA ARG 993 4.822 -7.894 -4.100 370 HB2 ARG 993 2HB ARG 993 2.128 -7.603 -5.428 371 HB3 ARG 993 1HB ARG 993 3.433 -6.449 -5.706 372 HG2 ARG 993 2HG ARG 993 4.899 -8.253 -6.479 373 HG3 ARG 993 1HG ARG 993 3.640 -9.445 -6.154 374 HD2 ARG 993 2HD ARG 993 2.173 -8.375 -7.804 375 HD3 ARG 993 1HD ARG 993 3.383 -7.129 -8.095 376 HE ARG 993 HE ARG 993 4.621 -9.591 -8.563 377 HH11 ARG 993 1HH2 ARG 993 1.981 -7.703 -9.771 378 HH12 ARG 993 2HH2 ARG 993 2.116 -8.302 -11.390 379 HH21 ARG 993 1HH1 ARG 993 4.810 -10.367 -10.690 380 HH22 ARG 993 2HH1 ARG 993 3.726 -9.798 -11.913 381 H TYR 994 H TYR 994 1.603 -7.249 -2.778 382 HA TYR 994 HA TYR 994 2.008 -4.527 -2.130 383 HB2 TYR 994 2HB TYR 994 -0.226 -5.509 -2.114 384 HB3 TYR 994 1HB TYR 994 0.238 -6.606 -0.813 385 HD1 TYR 994 HD1 TYR 994 0.054 -2.969 -1.664 386 HD2 TYR 994 HD2 TYR 994 -0.031 -5.945 1.436 387 HE1 TYR 994 HE1 TYR 994 -0.536 -1.225 -0.005 388 HE2 TYR 994 HE2 TYR 994 -0.620 -4.198 3.095 389 HH TYR 994 HH TYR 994 -1.744 -1.908 3.026 390 H ASN 995 H ASN 995 2.571 -7.533 -0.340 391 HA ASN 995 HA ASN 995 3.406 -6.368 2.092 392 HB2 ASN 995 2HB ASN 995 4.100 -9.010 0.788 393 HB3 ASN 995 1HB ASN 995 4.612 -8.565 2.414 394 HD21 ASN 995 1HD2 ASN 995 2.342 -10.411 0.984 395 HD22 ASN 995 2HD2 ASN 995 1.041 -10.189 2.051 396 H ALA 996 H ALA 996 5.145 -7.250 -0.868 397 HA ALA 996 HA ALA 996 7.739 -6.598 0.101 398 HB1 ALA 996 3HB ALA 996 6.725 -6.496 -2.728 399 HB2 ALA 996 1HB ALA 996 7.335 -7.951 -1.951 400 HB3 ALA 996 2HB ALA 996 8.404 -6.571 -2.232 401 H TRP 997 H TRP 997 5.230 -4.789 -1.633 402 HA TRP 997 HA TRP 997 6.654 -2.469 -2.149 403 HB2 TRP 997 2HB TRP 997 4.412 -2.783 -3.036 404 HB3 TRP 997 1HB TRP 997 3.728 -2.788 -1.411 405 HD1 TRP 997 HD TRP 997 5.744 -0.440 -3.718 406 HE1 TRP 997 HE1 TRP 997 5.062 1.989 -3.197 407 HE3 TRP 997 HE3 TRP 997 2.530 -1.238 0.174 408 HZ2 TRP 997 HZ2 TRP 997 3.383 3.408 -1.372 409 HZ3 TRP 997 HZ3 TRP 997 1.408 0.672 1.284 410 HH2 TRP 997 HH TRP 997 1.829 2.993 0.514 411 H LEU 998 H LEU 998 4.950 -3.529 0.761 412 HA LEU 998 HA LEU 998 5.446 -1.186 2.298 413 HB2 LEU 998 2HB LEU 998 4.971 -4.061 3.130 414 HB3 LEU 998 1HB LEU 998 5.055 -2.712 4.259 415 HG LEU 998 HG LEU 998 3.102 -2.861 1.941 416 HD11 LEU 998 1HD1 LEU 998 1.435 -3.298 3.824 417 HD12 LEU 998 2HD1 LEU 998 2.828 -3.632 4.854 418 HD13 LEU 998 3HD1 LEU 998 2.518 -4.635 3.437 419 HD21 LEU 998 3HD2 LEU 998 3.236 -0.587 2.519 420 HD22 LEU 998 1HD2 LEU 998 3.572 -0.930 4.214 421 HD23 LEU 998 2HD2 LEU 998 1.942 -1.136 3.576 422 H GLU 999 H GLU 999 7.196 -4.200 1.707 423 HA GLU 999 HA GLU 999 9.261 -3.880 3.582 424 HB2 GLU 999 2HB GLU 999 8.763 -5.922 2.123 425 HB3 GLU 999 1HB GLU 999 9.641 -5.101 0.839 426 HG2 GLU 999 2HG GLU 999 11.246 -6.478 1.937 427 HG3 GLU 999 1HG GLU 999 11.561 -4.837 2.497 428 H LEU1000 H LEU1000 9.106 -2.902 0.164 429 HA LEU1000 HA LEU1000 11.635 -1.656 0.066 430 HB2 LEU1000 2HB LEU1000 9.187 -0.877 -1.529 431 HB3 LEU1000 1HB LEU1000 10.869 -0.602 -1.965 432 HG LEU1000 HG LEU1000 9.358 -3.217 -1.874 433 HD11 LEU1000 1HD1 LEU1000 11.078 -1.985 -4.027 434 HD12 LEU1000 2HD1 LEU1000 9.333 -1.763 -3.920 435 HD13 LEU1000 3HD1 LEU1000 10.002 -3.374 -4.185 436 HD21 LEU1000 3HD2 LEU1000 11.441 -3.764 -0.807 437 HD22 LEU1000 1HD2 LEU1000 12.352 -2.774 -1.951 438 HD23 LEU1000 2HD2 LEU1000 11.583 -4.270 -2.484 439 H ARG1001 H ARG1001 8.404 -0.404 0.808 440 HA ARG1001 HA ARG1001 9.115 2.291 1.004 441 HB2 ARG1001 2HB ARG1001 6.805 1.642 0.931 442 HB3 ARG1001 1HB ARG1001 6.967 0.688 2.401 443 HG2 ARG1001 2HG ARG1001 7.283 2.626 3.743 444 HG3 ARG1001 1HG ARG1001 7.534 3.644 2.331 445 HD2 ARG1001 2HD ARG1001 5.166 3.190 1.647 446 HD3 ARG1001 1HD ARG1001 4.958 2.256 3.126 447 HE ARG1001 HE ARG1001 5.815 4.634 4.080 448 HH11 ARG1001 1HH2 ARG1001 3.402 3.752 1.758 449 HH12 ARG1001 2HH2 ARG1001 2.367 5.092 2.128 450 HH21 ARG1001 1HH1 ARG1001 4.470 6.383 4.562 451 HH22 ARG1001 2HH1 ARG1001 2.983 6.595 3.701 452 H ALA1002 H ALA1002 9.033 -0.258 3.431 453 HA ALA1002 HA ALA1002 9.771 1.377 5.623 454 HB1 ALA1002 3HB ALA1002 8.660 -0.886 5.756 455 HB2 ALA1002 1HB ALA1002 10.027 -0.667 6.847 456 HB3 ALA1002 2HB ALA1002 10.224 -1.598 5.365 457 H LYS1003 H LYS1003 11.548 -0.215 3.125 458 HA LYS1003 HA LYS1003 14.070 -0.193 4.518 459 HB2 LYS1003 2HB LYS1003 14.887 -1.408 2.762 460 HB3 LYS1003 1HB LYS1003 13.178 -1.638 2.438 461 HG2 LYS1003 2HG LYS1003 13.835 -0.967 0.338 462 HG3 LYS1003 1HG LYS1003 13.543 0.616 1.001 463 HD2 LYS1003 2HD LYS1003 15.937 0.817 1.606 464 HD3 LYS1003 1HD LYS1003 16.229 -0.776 0.913 465 HE2 LYS1003 2HE LYS1003 15.088 1.571 -0.628 466 HE3 LYS1003 1HE LYS1003 16.786 1.091 -0.658 467 HZ1 LYS1003 3HZ LYS1003 15.719 0.092 -2.511 468 HZ2 LYS1003 1HZ LYS1003 14.448 -0.499 -1.555 469 HZ3 LYS1003 2HZ LYS1003 16.010 -1.145 -1.383 470 H ARG1004 H ARG1004 12.478 1.948 2.190 471 HA ARG1004 HA ARG1004 14.784 3.718 2.072 472 HB2 ARG1004 2HB ARG1004 13.306 5.158 0.703 473 HB3 ARG1004 1HB ARG1004 13.364 3.507 0.096 474 HG2 ARG1004 2HG ARG1004 11.254 2.999 1.193 475 HG3 ARG1004 1HG ARG1004 11.180 4.617 1.878 476 HD2 ARG1004 2HD ARG1004 11.161 5.574 -0.399 477 HD3 ARG1004 1HD ARG1004 11.216 3.952 -1.078 478 HE ARG1004 HE ARG1004 8.996 4.247 0.701 479 HH11 ARG1004 1HH2 ARG1004 10.208 5.047 -2.437 480 HH12 ARG1004 2HH2 ARG1004 8.641 5.151 -3.169 481 HH21 ARG1004 1HH1 ARG1004 6.931 4.382 -0.253 482 HH22 ARG1004 2HH1 ARG1004 6.788 4.777 -1.935 483 H LEU1005 H LEU1005 13.951 3.245 4.676 484 HA LEU1005 HA LEU1005 12.167 5.111 5.735 485 HB2 LEU1005 2HB LEU1005 13.353 3.020 6.795 486 HB3 LEU1005 1HB LEU1005 14.604 4.175 7.232 487 HG LEU1005 HG LEU1005 12.787 5.604 8.251 488 HD11 LEU1005 1HD1 LEU1005 10.705 4.923 7.490 489 HD12 LEU1005 2HD1 LEU1005 10.773 3.972 8.966 490 HD13 LEU1005 3HD1 LEU1005 11.160 3.217 7.414 491 HD21 LEU1005 3HD2 LEU1005 13.233 2.826 9.385 492 HD22 LEU1005 1HD2 LEU1005 12.677 4.220 10.311 493 HD23 LEU1005 2HD2 LEU1005 14.296 4.216 9.611 494 H SER1006 H SER1006 15.649 5.279 5.123 495 HA SER1006 HA SER1006 17.092 7.056 4.990 496 HB2 SER1006 2HB SER1006 15.079 7.893 3.571 497 HB3 SER1006 1HB SER1006 14.731 8.924 4.955 498 HG SER1006 HG SER1006 16.128 10.147 3.900 Start of MODEL 12 1 HA2 GLY 945 2HA GLY 945 -13.893 15.630 -0.983 2 HA3 GLY 945 1HA GLY 945 -13.456 14.235 0.006 3 H ALA 946 H ALA 946 -14.489 13.874 1.960 4 HA ALA 946 HA ALA 946 -16.513 15.753 2.919 5 HB1 ALA 946 3HB ALA 946 -17.582 14.253 1.150 6 HB2 ALA 946 1HB ALA 946 -18.352 14.248 2.737 7 HB3 ALA 946 2HB ALA 946 -17.304 12.913 2.262 8 H MET 947 H MET 947 -17.241 15.261 5.051 9 HA MET 947 HA MET 947 -15.237 14.106 6.711 10 HB2 MET 947 2HB MET 947 -16.774 15.978 7.367 11 HB3 MET 947 1HB MET 947 -18.087 14.807 7.452 12 HG2 MET 947 2HG MET 947 -16.970 13.582 9.211 13 HG3 MET 947 1HG MET 947 -15.514 14.561 9.033 14 HE1 MET 947 3HE MET 947 -15.645 17.200 9.110 15 HE2 MET 947 1HE MET 947 -14.993 16.413 10.554 16 HE3 MET 947 2HE MET 947 -16.095 17.780 10.711 17 H ALA 948 H ALA 948 -17.670 12.730 4.870 18 HA ALA 948 HA ALA 948 -18.646 10.644 6.479 19 HB1 ALA 948 3HB ALA 948 -19.492 11.364 4.202 20 HB2 ALA 948 1HB ALA 948 -19.375 9.622 4.451 21 HB3 ALA 948 2HB ALA 948 -18.144 10.465 3.508 22 H ILE 949 H ILE 949 -15.642 10.947 4.655 23 HA ILE 949 HA ILE 949 -14.777 8.358 4.437 24 HB ILE 949 HB ILE 949 -12.480 9.205 4.672 25 HG12 ILE 949 2HG1 ILE 949 -13.811 11.783 5.572 26 HG13 ILE 949 1HG1 ILE 949 -12.916 10.698 6.631 27 HG21 ILE 949 1HG2 ILE 949 -14.239 11.236 3.274 28 HG22 ILE 949 2HG2 ILE 949 -13.871 9.642 2.614 29 HG23 ILE 949 3HG2 ILE 949 -12.575 10.812 2.874 30 HD11 ILE 949 3HD1 ILE 949 -11.324 12.332 6.030 31 HD12 ILE 949 1HD1 ILE 949 -11.869 12.370 4.352 32 HD13 ILE 949 2HD1 ILE 949 -10.965 10.980 4.955 33 H ALA 950 H ALA 950 -13.006 7.297 5.821 34 HA ALA 950 HA ALA 950 -13.465 7.625 8.710 35 HB1 ALA 950 3HB ALA 950 -13.842 5.222 9.002 36 HB2 ALA 950 1HB ALA 950 -13.755 4.986 7.256 37 HB3 ALA 950 2HB ALA 950 -15.079 5.919 7.955 38 H LEU 951 H LEU 951 -11.376 7.295 6.172 39 HA LEU 951 HA LEU 951 -9.355 5.686 7.468 40 HB2 LEU 951 2HB LEU 951 -9.558 7.221 4.901 41 HB3 LEU 951 1HB LEU 951 -7.946 6.859 5.510 42 HG LEU 951 HG LEU 951 -8.629 4.439 5.667 43 HD11 LEU 951 1HD1 LEU 951 -11.013 4.562 5.772 44 HD12 LEU 951 2HD1 LEU 951 -10.631 3.846 4.205 45 HD13 LEU 951 3HD1 LEU 951 -11.092 5.545 4.310 46 HD21 LEU 951 3HD2 LEU 951 -8.613 4.105 3.154 47 HD22 LEU 951 1HD2 LEU 951 -7.321 5.129 3.781 48 HD23 LEU 951 2HD2 LEU 951 -8.720 5.859 2.995 49 H ARG 952 H ARG 952 -7.425 6.385 8.348 50 HA ARG 952 HA ARG 952 -7.542 8.972 9.667 51 HB2 ARG 952 2HB ARG 952 -5.636 6.634 9.822 52 HB3 ARG 952 1HB ARG 952 -5.369 8.142 10.698 53 HG2 ARG 952 2HG ARG 952 -7.522 7.894 11.840 54 HG3 ARG 952 1HG ARG 952 -7.858 6.425 10.925 55 HD2 ARG 952 2HD ARG 952 -5.951 5.302 11.929 56 HD3 ARG 952 1HD ARG 952 -5.472 6.779 12.759 57 HE ARG 952 HE ARG 952 -8.079 6.244 13.568 58 HH11 ARG 952 1HH2 ARG 952 -4.988 4.692 13.614 59 HH12 ARG 952 2HH2 ARG 952 -5.268 3.868 15.112 60 HH21 ARG 952 1HH1 ARG 952 -8.454 5.171 15.538 61 HH22 ARG 952 2HH1 ARG 952 -7.228 4.143 16.205 62 H ASP 953 H ASP 953 -5.408 10.239 9.773 63 HA ASP 953 HA ASP 953 -4.774 11.190 7.192 64 HB2 ASP 953 2HB ASP 953 -3.627 11.582 9.943 65 HB3 ASP 953 1HB ASP 953 -2.732 12.196 8.555 66 H ASP 954 H ASP 954 -3.108 8.942 9.368 67 HA ASP 954 HA ASP 954 -0.789 8.580 7.772 68 HB2 ASP 954 2HB ASP 954 -2.149 6.848 9.842 69 HB3 ASP 954 1HB ASP 954 -0.638 6.387 9.060 70 H GLU 955 H GLU 955 -3.909 6.976 7.944 71 HA GLU 955 HA GLU 955 -3.376 4.926 6.044 72 HB2 GLU 955 2HB GLU 955 -5.951 6.165 7.030 73 HB3 GLU 955 1HB GLU 955 -5.867 4.732 6.008 74 HG2 GLU 955 2HG GLU 955 -4.451 4.959 8.672 75 HG3 GLU 955 1HG GLU 955 -6.054 4.255 8.491 76 H TYR 956 H TYR 956 -4.833 8.138 5.856 77 HA TYR 956 HA TYR 956 -5.694 8.056 3.179 78 HB2 TYR 956 2HB TYR 956 -6.426 9.796 4.723 79 HB3 TYR 956 1HB TYR 956 -4.774 10.395 4.869 80 HD1 TYR 956 HD2 TYR 956 -3.697 11.604 3.035 81 HD2 TYR 956 HD1 TYR 956 -7.728 10.158 2.687 82 HE1 TYR 956 HE2 TYR 956 -4.042 13.035 1.037 83 HE2 TYR 956 HE1 TYR 956 -8.071 11.589 0.695 84 HH TYR 956 HH TYR 956 -5.500 13.108 -0.938 85 H ASP 957 H ASP 957 -2.655 9.130 4.649 86 HA ASP 957 HA ASP 957 -1.406 9.949 2.238 87 HB2 ASP 957 2HB ASP 957 -0.643 10.532 4.574 88 HB3 ASP 957 1HB ASP 957 -0.014 8.891 4.708 89 H GLU 958 H GLU 958 -1.591 6.878 3.957 90 HA GLU 958 HA GLU 958 0.306 5.464 2.405 91 HB2 GLU 958 2HB GLU 958 -0.596 4.666 4.588 92 HB3 GLU 958 1HB GLU 958 -2.153 4.378 3.806 93 HG2 GLU 958 2HG GLU 958 -1.085 2.792 2.246 94 HG3 GLU 958 1HG GLU 958 0.474 3.083 3.017 95 H TRP 959 H TRP 959 -3.192 5.968 2.072 96 HA TRP 959 HA TRP 959 -3.553 4.236 -0.134 97 HB2 TRP 959 2HB TRP 959 -5.489 4.855 1.084 98 HB3 TRP 959 1HB TRP 959 -5.123 6.570 0.954 99 HD1 TRP 959 HD TRP 959 -5.516 3.773 -1.720 100 HE1 TRP 959 HE1 TRP 959 -7.121 4.668 -3.535 101 HE3 TRP 959 HE3 TRP 959 -6.577 8.350 0.244 102 HZ2 TRP 959 HZ2 TRP 959 -8.662 7.031 -4.070 103 HZ3 TRP 959 HZ3 TRP 959 -8.106 9.908 -0.927 104 HH2 TRP 959 HH TRP 959 -9.150 9.258 -3.082 105 H GLN 960 H GLN 960 -3.049 7.795 -0.006 106 HA GLN 960 HA GLN 960 -3.066 8.118 -2.815 107 HB2 GLN 960 2HB GLN 960 -1.745 9.757 -0.642 108 HB3 GLN 960 1HB GLN 960 -1.821 10.250 -2.334 109 HG2 GLN 960 2HG GLN 960 -4.259 9.577 -0.671 110 HG3 GLN 960 1HG GLN 960 -3.656 11.216 -0.909 111 HE21 GLN 960 1HE2 GLN 960 -5.924 9.097 -2.100 112 HE22 GLN 960 2HE2 GLN 960 -6.057 9.692 -3.684 113 H ASP 961 H ASP 961 -0.498 7.416 -0.530 114 HA ASP 961 HA ASP 961 1.670 7.631 -2.327 115 HB2 ASP 961 2HB ASP 961 1.316 6.100 0.250 116 HB3 ASP 961 1HB ASP 961 2.836 6.136 -0.640 117 H ILE 962 H ILE 962 -0.471 4.921 -1.500 118 HA ILE 962 HA ILE 962 1.079 2.992 -2.915 119 HB ILE 962 HB ILE 962 -0.935 2.763 -1.114 120 HG12 ILE 962 2HG1 ILE 962 -0.359 0.712 -3.269 121 HG13 ILE 962 1HG1 ILE 962 0.634 0.973 -1.840 122 HG21 ILE 962 1HG2 ILE 962 -2.608 3.530 -2.853 123 HG22 ILE 962 2HG2 ILE 962 -2.976 1.977 -2.127 124 HG23 ILE 962 3HG2 ILE 962 -2.271 2.064 -3.739 125 HD11 ILE 962 3HD1 ILE 962 -1.375 0.502 -0.425 126 HD12 ILE 962 1HD1 ILE 962 -0.865 -0.877 -1.395 127 HD13 ILE 962 2HD1 ILE 962 -2.256 0.077 -1.891 128 H ILE 963 H ILE 963 -1.596 5.122 -3.736 129 HA ILE 963 HA ILE 963 -2.156 4.076 -6.290 130 HB ILE 963 HB ILE 963 -2.444 6.860 -5.158 131 HG12 ILE 963 2HG1 ILE 963 -4.430 4.661 -5.769 132 HG13 ILE 963 1HG1 ILE 963 -3.799 5.028 -4.180 133 HG21 ILE 963 1HG2 ILE 963 -2.314 7.208 -7.506 134 HG22 ILE 963 2HG2 ILE 963 -4.041 7.101 -7.179 135 HG23 ILE 963 3HG2 ILE 963 -3.182 5.718 -7.850 136 HD11 ILE 963 3HD1 ILE 963 -5.182 6.809 -3.907 137 HD12 ILE 963 1HD1 ILE 963 -6.112 6.074 -5.211 138 HD13 ILE 963 2HD1 ILE 963 -4.965 7.365 -5.565 139 H ARG 964 H ARG 964 0.128 6.552 -5.190 140 HA ARG 964 HA ARG 964 1.133 7.247 -7.740 141 HB2 ARG 964 2HB ARG 964 1.606 8.518 -5.627 142 HB3 ARG 964 1HB ARG 964 2.659 7.196 -5.119 143 HG2 ARG 964 2HG ARG 964 4.030 7.515 -7.157 144 HG3 ARG 964 1HG ARG 964 2.993 8.861 -7.630 145 HD2 ARG 964 2HD ARG 964 3.569 9.963 -5.433 146 HD3 ARG 964 1HD ARG 964 4.753 8.685 -5.172 147 HE ARG 964 HE ARG 964 5.038 10.941 -6.917 148 HH11 ARG 964 1HH2 ARG 964 5.830 7.600 -6.455 149 HH12 ARG 964 2HH2 ARG 964 7.265 7.667 -7.423 150 HH21 ARG 964 1HH1 ARG 964 6.919 11.033 -8.177 151 HH22 ARG 964 2HH1 ARG 964 7.883 9.611 -8.398 152 H ASP 965 H ASP 965 1.961 4.720 -5.415 153 HA ASP 965 HA ASP 965 4.275 3.725 -6.644 154 HB2 ASP 965 2HB ASP 965 3.388 3.151 -4.348 155 HB3 ASP 965 1HB ASP 965 2.260 2.058 -5.145 156 H TRP 966 H TRP 966 0.848 2.767 -7.174 157 HA TRP 966 HA TRP 966 1.596 0.709 -9.047 158 HB2 TRP 966 2HB TRP 966 -1.123 1.995 -8.711 159 HB3 TRP 966 1HB TRP 966 -0.763 0.465 -9.506 160 HD1 TRP 966 HD TRP 966 -1.871 1.787 -6.325 161 HE1 TRP 966 HE1 TRP 966 -1.638 0.049 -4.446 162 HE3 TRP 966 HE3 TRP 966 1.144 -1.612 -8.652 163 HZ2 TRP 966 HZ2 TRP 966 -0.338 -2.454 -3.982 164 HZ3 TRP 966 HZ3 TRP 966 1.864 -3.669 -7.465 165 HH2 TRP 966 HH TRP 966 1.126 -4.094 -5.137 166 H ARG 967 H ARG 967 1.712 3.992 -9.287 167 HA ARG 967 HA ARG 967 1.895 5.471 -11.027 168 HB2 ARG 967 2HB ARG 967 2.303 2.910 -12.591 169 HB3 ARG 967 1HB ARG 967 2.606 4.529 -13.215 170 HG2 ARG 967 2HG ARG 967 4.255 4.928 -11.441 171 HG3 ARG 967 1HG ARG 967 3.935 3.331 -10.768 172 HD2 ARG 967 2HD ARG 967 4.944 3.822 -13.583 173 HD3 ARG 967 1HD ARG 967 5.973 3.395 -12.219 174 HE ARG 967 HE ARG 967 4.313 1.602 -13.719 175 HH11 ARG 967 1HH2 ARG 967 5.612 2.321 -10.594 176 HH12 ARG 967 2HH2 ARG 967 5.521 0.687 -10.026 177 HH21 ARG 967 1HH1 ARG 967 4.197 -0.545 -12.985 178 HH22 ARG 967 2HH1 ARG 967 4.723 -0.937 -11.380 179 H LYS 968 H LYS 968 -0.760 3.933 -10.423 180 HA LYS 968 HA LYS 968 -2.235 5.187 -12.630 181 HB2 LYS 968 2HB LYS 968 -3.617 3.196 -12.993 182 HB3 LYS 968 1HB LYS 968 -1.929 2.866 -13.372 183 HG2 LYS 968 2HG LYS 968 -1.660 1.925 -11.066 184 HG3 LYS 968 1HG LYS 968 -3.395 2.113 -10.826 185 HD2 LYS 968 2HD LYS 968 -2.228 0.550 -13.142 186 HD3 LYS 968 1HD LYS 968 -2.616 -0.202 -11.597 187 HE2 LYS 968 2HE LYS 968 -4.970 0.757 -11.870 188 HE3 LYS 968 1HE LYS 968 -4.517 1.143 -13.530 189 HZ1 LYS 968 3HZ LYS 968 -5.293 -0.925 -13.884 190 HZ2 LYS 968 1HZ LYS 968 -5.004 -1.442 -12.294 191 HZ3 LYS 968 2HZ LYS 968 -3.725 -1.374 -13.410 192 H GLU 969 H GLU 969 -4.251 5.892 -12.075 193 HA GLU 969 HA GLU 969 -4.752 6.453 -9.360 194 HB2 GLU 969 2HB GLU 969 -7.006 7.213 -10.220 195 HB3 GLU 969 1HB GLU 969 -5.602 7.958 -10.986 196 HG2 GLU 969 2HG GLU 969 -5.770 6.409 -12.873 197 HG3 GLU 969 1HG GLU 969 -7.123 5.582 -12.101 198 H MET 970 H MET 970 -5.984 5.545 -7.825 199 HA MET 970 HA MET 970 -7.776 3.305 -8.512 200 HB2 MET 970 2HB MET 970 -6.058 3.050 -6.058 201 HB3 MET 970 1HB MET 970 -6.857 1.795 -6.998 202 HG2 MET 970 2HG MET 970 -5.224 2.494 -8.896 203 HG3 MET 970 1HG MET 970 -4.306 3.262 -7.604 204 HE1 MET 970 3HE MET 970 -3.992 2.156 -5.359 205 HE2 MET 970 1HE MET 970 -3.677 0.438 -5.089 206 HE3 MET 970 2HE MET 970 -5.332 1.025 -5.186 207 H THR 971 H THR 971 -8.858 2.622 -6.283 208 HA THR 971 HA THR 971 -9.763 5.115 -4.942 209 HB THR 971 HB THR 971 -11.937 3.896 -4.628 210 HG1 THR 971 HG1 THR 971 -10.840 1.820 -5.119 211 HG21 THR 971 3HG2 THR 971 -10.943 4.415 -7.441 212 HG22 THR 971 1HG2 THR 971 -11.744 5.566 -6.370 213 HG23 THR 971 2HG2 THR 971 -12.641 4.193 -7.018 214 H VAL 972 H VAL 972 -10.661 4.754 -2.768 215 HA VAL 972 HA VAL 972 -8.818 3.424 -1.083 216 HB VAL 972 HB VAL 972 -11.516 4.715 -0.661 217 HG11 VAL 972 1HG1 VAL 972 -9.955 2.982 1.228 218 HG12 VAL 972 2HG1 VAL 972 -11.695 3.221 1.108 219 HG13 VAL 972 3HG1 VAL 972 -10.693 4.443 1.887 220 HG21 VAL 972 3HG2 VAL 972 -9.510 6.132 -1.060 221 HG22 VAL 972 1HG2 VAL 972 -8.718 5.373 0.322 222 HG23 VAL 972 2HG2 VAL 972 -10.159 6.358 0.563 223 H GLN 973 H GLN 973 -12.094 2.606 -2.188 224 HA GLN 973 HA GLN 973 -12.590 0.366 -0.629 225 HB2 GLN 973 2HB GLN 973 -13.398 1.159 -3.421 226 HB3 GLN 973 1HB GLN 973 -13.944 -0.359 -2.724 227 HG2 GLN 973 2HG GLN 973 -15.627 1.335 -2.293 228 HG3 GLN 973 1HG GLN 973 -14.846 0.934 -0.766 229 HE21 GLN 973 1HE2 GLN 973 -14.972 2.964 0.309 230 HE22 GLN 973 2HE2 GLN 973 -14.282 4.388 -0.305 231 H GLN 974 H GLN 974 -10.992 0.514 -3.816 232 HA GLN 974 HA GLN 974 -10.498 -2.248 -4.072 233 HB2 GLN 974 2HB GLN 974 -9.236 0.224 -5.240 234 HB3 GLN 974 1HB GLN 974 -8.542 -1.361 -5.567 235 HG2 GLN 974 2HG GLN 974 -10.277 -0.475 -7.250 236 HG3 GLN 974 1HG GLN 974 -10.501 -2.120 -6.665 237 HE21 GLN 974 1HE2 GLN 974 -12.104 0.836 -7.117 238 HE22 GLN 974 2HE2 GLN 974 -13.428 0.554 -6.089 239 H PHE 975 H PHE 975 -8.607 0.349 -2.581 240 HA PHE 975 HA PHE 975 -6.307 -1.167 -1.971 241 HB2 PHE 975 2HB PHE 975 -6.172 1.209 -1.797 242 HB3 PHE 975 1HB PHE 975 -7.531 1.274 -0.674 243 HD1 PHE 975 HD1 PHE 975 -4.278 -0.591 -0.945 244 HD2 PHE 975 HD2 PHE 975 -6.945 1.663 1.557 245 HE1 PHE 975 HE1 PHE 975 -2.708 -0.843 0.957 246 HE2 PHE 975 HE2 PHE 975 -5.371 1.409 3.459 247 HZ PHE 975 HZ PHE 975 -3.251 0.157 3.156 248 H LEU 976 H LEU 976 -9.302 -0.585 -0.160 249 HA LEU 976 HA LEU 976 -8.618 -1.886 2.206 250 HB2 LEU 976 2HB LEU 976 -10.716 -0.450 1.475 251 HB3 LEU 976 1HB LEU 976 -11.400 -2.001 1.028 252 HG LEU 976 HG LEU 976 -12.182 -1.709 3.204 253 HD11 LEU 976 1HD1 LEU 976 -11.068 -3.302 4.608 254 HD12 LEU 976 2HD1 LEU 976 -9.578 -3.155 3.712 255 HD13 LEU 976 3HD1 LEU 976 -10.989 -3.888 2.957 256 HD21 LEU 976 3HD2 LEU 976 -9.447 -0.656 3.968 257 HD22 LEU 976 1HD2 LEU 976 -10.825 -0.813 5.055 258 HD23 LEU 976 2HD2 LEU 976 -10.889 0.305 3.692 259 H ASP 977 H ASP 977 -10.033 -3.064 -0.806 260 HA ASP 977 HA ASP 977 -10.475 -5.738 0.032 261 HB2 ASP 977 2HB ASP 977 -11.530 -4.804 -1.978 262 HB3 ASP 977 1HB ASP 977 -9.948 -4.654 -2.744 263 H LEU 978 H LEU 978 -7.724 -4.143 -1.553 264 HA LEU 978 HA LEU 978 -6.176 -6.448 -2.000 265 HB2 LEU 978 2HB LEU 978 -5.673 -4.386 -3.135 266 HB3 LEU 978 1HB LEU 978 -5.388 -3.558 -1.607 267 HG LEU 978 HG LEU 978 -3.420 -4.939 -1.168 268 HD11 LEU 978 1HD1 LEU 978 -3.964 -7.064 -2.093 269 HD12 LEU 978 2HD1 LEU 978 -2.649 -6.458 -3.095 270 HD13 LEU 978 3HD1 LEU 978 -4.312 -6.367 -3.678 271 HD21 LEU 978 3HD2 LEU 978 -2.944 -2.981 -2.436 272 HD22 LEU 978 1HD2 LEU 978 -3.587 -3.692 -3.915 273 HD23 LEU 978 2HD2 LEU 978 -2.071 -4.286 -3.237 274 H LYS 979 H LYS 979 -6.076 -4.116 0.711 275 HA LYS 979 HA LYS 979 -3.989 -5.460 2.085 276 HB2 LYS 979 2HB LYS 979 -4.460 -4.003 3.921 277 HB3 LYS 979 1HB LYS 979 -4.721 -3.066 2.451 278 HG2 LYS 979 2HG LYS 979 -7.125 -3.580 2.602 279 HG3 LYS 979 1HG LYS 979 -6.859 -4.359 4.152 280 HD2 LYS 979 2HD LYS 979 -6.094 -1.495 3.532 281 HD3 LYS 979 1HD LYS 979 -7.595 -1.963 4.319 282 HE2 LYS 979 2HE LYS 979 -6.234 -1.496 6.156 283 HE3 LYS 979 1HE LYS 979 -6.011 -3.236 5.993 284 HZ1 LYS 979 3HZ LYS 979 -3.860 -2.857 5.745 285 HZ2 LYS 979 1HZ LYS 979 -4.095 -1.179 5.771 286 HZ3 LYS 979 2HZ LYS 979 -4.178 -2.025 4.299 287 H GLU 980 H GLU 980 -7.498 -5.787 2.144 288 HA GLU 980 HA GLU 980 -7.648 -7.420 4.448 289 HB2 GLU 980 2HB GLU 980 -9.618 -6.350 3.413 290 HB3 GLU 980 1HB GLU 980 -9.456 -7.414 2.014 291 HG2 GLU 980 2HG GLU 980 -9.811 -9.378 3.420 292 HG3 GLU 980 1HG GLU 980 -9.853 -8.372 4.866 293 H ARG 981 H ARG 981 -7.598 -8.330 0.989 294 HA ARG 981 HA ARG 981 -7.502 -11.113 1.395 295 HB2 ARG 981 2HB ARG 981 -6.439 -9.420 -0.871 296 HB3 ARG 981 1HB ARG 981 -6.563 -11.174 -0.926 297 HG2 ARG 981 2HG ARG 981 -8.912 -9.319 -0.424 298 HG3 ARG 981 1HG ARG 981 -8.503 -9.988 -2.000 299 HD2 ARG 981 2HD ARG 981 -8.589 -12.299 -0.721 300 HD3 ARG 981 1HD ARG 981 -9.570 -11.395 0.430 301 HE ARG 981 HE ARG 981 -11.266 -11.259 -1.163 302 HH11 ARG 981 1HH2 ARG 981 -8.307 -12.421 -2.534 303 HH12 ARG 981 2HH2 ARG 981 -9.025 -12.885 -4.040 304 HH21 ARG 981 1HH1 ARG 981 -12.214 -11.863 -3.137 305 HH22 ARG 981 2HH1 ARG 981 -11.239 -12.579 -4.377 306 H ALA 982 H ALA 982 -4.860 -8.770 0.916 307 HA ALA 982 HA ALA 982 -2.755 -10.637 0.947 308 HB1 ALA 982 3HB ALA 982 -1.365 -8.796 0.875 309 HB2 ALA 982 1HB ALA 982 -2.287 -7.914 2.087 310 HB3 ALA 982 2HB ALA 982 -2.875 -8.016 0.452 311 H LEU 983 H LEU 983 -4.146 -8.693 3.582 312 HA LEU 983 HA LEU 983 -2.417 -9.610 5.578 313 HB2 LEU 983 2HB LEU 983 -5.122 -8.329 5.586 314 HB3 LEU 983 1HB LEU 983 -4.492 -8.981 7.090 315 HG LEU 983 HG LEU 983 -2.730 -7.457 7.190 316 HD11 LEU 983 1HD1 LEU 983 -2.199 -6.004 5.084 317 HD12 LEU 983 2HD1 LEU 983 -2.945 -7.291 4.211 318 HD13 LEU 983 3HD1 LEU 983 -1.530 -7.603 5.197 319 HD21 LEU 983 3HD2 LEU 983 -4.836 -6.257 7.476 320 HD22 LEU 983 1HD2 LEU 983 -4.953 -5.997 5.737 321 HD23 LEU 983 2HD2 LEU 983 -3.674 -5.210 6.661 322 H SER 984 H SER 984 -5.190 -10.941 4.061 323 HA SER 984 HA SER 984 -5.718 -12.956 6.067 324 HB2 SER 984 2HB SER 984 -6.634 -12.933 3.186 325 HB3 SER 984 1HB SER 984 -7.342 -13.834 4.524 326 HG SER 984 HG SER 984 -7.792 -11.786 5.501 327 H GLY 985 H GLY 985 -3.228 -12.571 3.916 328 HA2 GLY 985 2HA GLY 985 -1.440 -14.060 3.632 329 HA3 GLY 985 1HA GLY 985 -2.469 -15.378 4.175 330 H ALA 986 H ALA 986 -3.535 -13.185 1.654 331 HA ALA 986 HA ALA 986 -4.002 -15.323 -0.166 332 HB1 ALA 986 3HB ALA 986 -3.773 -12.413 -0.921 333 HB2 ALA 986 1HB ALA 986 -5.180 -13.077 -0.112 334 HB3 ALA 986 2HB ALA 986 -4.735 -13.668 -1.701 335 H SER 987 H SER 987 -2.899 -15.951 -1.993 336 HA SER 987 HA SER 987 -0.057 -15.277 -2.006 337 HB2 SER 987 2HB SER 987 -1.631 -17.348 -3.550 338 HB3 SER 987 1HB SER 987 0.117 -17.142 -3.640 339 HG SER 987 HG SER 987 -1.437 -18.309 -1.704 340 H ASP 988 H ASP 988 -2.856 -14.216 -3.513 341 HA ASP 988 HA ASP 988 -2.402 -13.860 -6.150 342 HB2 ASP 988 2HB ASP 988 -3.442 -11.889 -4.122 343 HB3 ASP 988 1HB ASP 988 -3.440 -11.535 -5.847 344 HA PRO 989 HA PRO 989 1.449 -11.728 -6.683 345 HB2 PRO 989 2HB PRO 989 0.850 -10.080 -8.848 346 HB3 PRO 989 1HB PRO 989 1.237 -11.805 -8.980 347 HG2 PRO 989 2HG PRO 989 -1.434 -10.473 -8.948 348 HG3 PRO 989 1HG PRO 989 -0.856 -11.813 -9.957 349 HD2 PRO 989 2HD PRO 989 -2.443 -12.260 -7.829 350 HD3 PRO 989 1HD PRO 989 -1.141 -13.394 -8.255 351 H ASP 990 H ASP 990 -1.513 -9.870 -6.516 352 HA ASP 990 HA ASP 990 -0.314 -7.336 -6.012 353 HB2 ASP 990 2HB ASP 990 -3.087 -8.302 -5.285 354 HB3 ASP 990 1HB ASP 990 -2.555 -6.626 -5.397 355 H SER 991 H SER 991 -1.257 -10.052 -3.981 356 HA SER 991 HA SER 991 -1.143 -8.633 -1.506 357 HB2 SER 991 2HB SER 991 -2.394 -10.608 -1.426 358 HB3 SER 991 1HB SER 991 -1.160 -11.540 -2.269 359 HG SER 991 HG SER 991 -0.678 -10.327 0.236 360 H GLN 992 H GLN 992 1.133 -10.895 -3.089 361 HA GLN 992 HA GLN 992 3.153 -10.582 -1.124 362 HB2 GLN 992 2HB GLN 992 4.594 -11.333 -3.302 363 HB3 GLN 992 1HB GLN 992 3.631 -12.458 -2.347 364 HG2 GLN 992 2HG GLN 992 1.861 -12.467 -3.879 365 HG3 GLN 992 1HG GLN 992 2.394 -10.980 -4.656 366 HE21 GLN 992 1HE2 GLN 992 3.553 -11.273 -6.575 367 HE22 GLN 992 2HE2 GLN 992 4.340 -12.709 -7.018 368 H ARG 993 H ARG 993 2.501 -8.946 -4.199 369 HA ARG 993 HA ARG 993 4.832 -7.333 -4.214 370 HB2 ARG 993 2HB ARG 993 2.103 -7.007 -5.464 371 HB3 ARG 993 1HB ARG 993 3.397 -5.836 -5.709 372 HG2 ARG 993 2HG ARG 993 4.204 -8.674 -6.153 373 HG3 ARG 993 1HG ARG 993 3.005 -8.067 -7.294 374 HD2 ARG 993 2HD ARG 993 5.279 -7.676 -8.132 375 HD3 ARG 993 1HD ARG 993 4.467 -6.146 -7.813 376 HE ARG 993 HE ARG 993 6.043 -7.105 -5.585 377 HH11 ARG 993 1HH2 ARG 993 5.995 -5.338 -8.560 378 HH12 ARG 993 2HH2 ARG 993 7.411 -4.410 -8.193 379 HH21 ARG 993 1HH1 ARG 993 7.891 -5.882 -5.089 380 HH22 ARG 993 2HH1 ARG 993 8.482 -4.716 -6.225 381 H TYR 994 H TYR 994 1.623 -6.953 -2.808 382 HA TYR 994 HA TYR 994 1.877 -4.276 -1.971 383 HB2 TYR 994 2HB TYR 994 -0.292 -5.326 -1.981 384 HB3 TYR 994 1HB TYR 994 0.248 -6.572 -0.859 385 HD1 TYR 994 HD1 TYR 994 0.364 -2.814 -1.029 386 HD2 TYR 994 HD2 TYR 994 -0.532 -6.288 1.332 387 HE1 TYR 994 HE1 TYR 994 -0.287 -1.357 0.869 388 HE2 TYR 994 HE2 TYR 994 -1.182 -4.831 3.229 389 HH TYR 994 HH TYR 994 -2.076 -2.330 3.399 390 H ASN 995 H ASN 995 2.630 -7.346 -0.348 391 HA ASN 995 HA ASN 995 3.456 -6.245 2.115 392 HB2 ASN 995 2HB ASN 995 4.117 -8.799 0.659 393 HB3 ASN 995 1HB ASN 995 4.886 -8.410 2.196 394 HD21 ASN 995 1HD2 ASN 995 1.806 -7.026 2.150 395 HD22 ASN 995 2HD2 ASN 995 0.972 -8.262 2.951 396 H ALA 996 H ALA 996 5.187 -6.928 -0.906 397 HA ALA 996 HA ALA 996 7.764 -6.190 0.015 398 HB1 ALA 996 3HB ALA 996 6.687 -5.923 -2.781 399 HB2 ALA 996 1HB ALA 996 7.326 -7.425 -2.121 400 HB3 ALA 996 2HB ALA 996 8.374 -6.013 -2.310 401 H TRP 997 H TRP 997 5.166 -4.368 -1.592 402 HA TRP 997 HA TRP 997 6.511 -1.968 -1.947 403 HB2 TRP 997 2HB TRP 997 4.262 -2.313 -2.838 404 HB3 TRP 997 1HB TRP 997 3.605 -2.411 -1.203 405 HD1 TRP 997 HD TRP 997 5.711 0.115 -3.252 406 HE1 TRP 997 HE1 TRP 997 4.910 2.491 -2.661 407 HE3 TRP 997 HE3 TRP 997 2.149 -0.998 0.239 408 HZ2 TRP 997 HZ2 TRP 997 3.010 3.754 -0.936 409 HZ3 TRP 997 HZ3 TRP 997 0.861 0.811 1.337 410 HH2 TRP 997 HH TRP 997 1.285 3.184 0.754 411 H LEU 998 H LEU 998 4.840 -3.272 0.879 412 HA LEU 998 HA LEU 998 5.235 -1.020 2.558 413 HB2 LEU 998 2HB LEU 998 4.702 -3.940 3.099 414 HB3 LEU 998 1HB LEU 998 4.950 -2.795 4.414 415 HG LEU 998 HG LEU 998 2.928 -2.329 2.207 416 HD11 LEU 998 1HD1 LEU 998 1.248 -3.080 3.984 417 HD12 LEU 998 2HD1 LEU 998 2.618 -3.798 4.833 418 HD13 LEU 998 3HD1 LEU 998 2.190 -4.356 3.215 419 HD21 LEU 998 3HD2 LEU 998 3.233 -0.286 3.319 420 HD22 LEU 998 1HD2 LEU 998 3.544 -1.051 4.874 421 HD23 LEU 998 2HD2 LEU 998 1.905 -0.979 4.236 422 H GLU 999 H GLU 999 7.167 -3.862 1.787 423 HA GLU 999 HA GLU 999 9.187 -3.459 3.737 424 HB2 GLU 999 2HB GLU 999 8.926 -5.586 2.522 425 HB3 GLU 999 1HB GLU 999 9.397 -4.801 1.016 426 HG2 GLU 999 2HG GLU 999 11.594 -4.246 1.983 427 HG3 GLU 999 1HG GLU 999 11.125 -5.002 3.504 428 H LEU1000 H LEU1000 8.777 -2.285 0.414 429 HA LEU1000 HA LEU1000 11.289 -1.020 0.123 430 HB2 LEU1000 2HB LEU1000 8.603 -0.193 -1.028 431 HB3 LEU1000 1HB LEU1000 10.169 0.369 -1.596 432 HG LEU1000 HG LEU1000 9.149 -2.483 -1.672 433 HD11 LEU1000 1HD1 LEU1000 9.090 -2.201 -4.063 434 HD12 LEU1000 2HD1 LEU1000 9.825 -0.602 -3.941 435 HD13 LEU1000 3HD1 LEU1000 8.191 -0.871 -3.337 436 HD21 LEU1000 3HD2 LEU1000 11.835 -1.281 -2.307 437 HD22 LEU1000 1HD2 LEU1000 11.289 -2.737 -3.136 438 HD23 LEU1000 2HD2 LEU1000 11.470 -2.741 -1.385 439 H ARG1001 H ARG1001 8.182 0.037 1.407 440 HA ARG1001 HA ARG1001 8.937 2.702 1.979 441 HB2 ARG1001 2HB ARG1001 6.636 2.109 1.884 442 HB3 ARG1001 1HB ARG1001 6.823 0.883 3.131 443 HG2 ARG1001 2HG ARG1001 7.250 2.539 4.809 444 HG3 ARG1001 1HG ARG1001 7.395 3.805 3.600 445 HD2 ARG1001 2HD ARG1001 5.000 3.425 2.990 446 HD3 ARG1001 1HD ARG1001 4.898 2.226 4.272 447 HE ARG1001 HE ARG1001 5.830 4.600 5.426 448 HH11 ARG1001 1HH2 ARG1001 3.050 3.383 3.768 449 HH12 ARG1001 2HH2 ARG1001 1.930 4.411 4.595 450 HH21 ARG1001 1HH1 ARG1001 4.367 5.959 6.519 451 HH22 ARG1001 2HH1 ARG1001 2.677 5.872 6.151 452 H ALA1002 H ALA1002 8.911 -0.249 3.885 453 HA ALA1002 HA ALA1002 9.620 0.772 6.351 454 HB1 ALA1002 3HB ALA1002 8.954 -1.604 5.837 455 HB2 ALA1002 1HB ALA1002 10.323 -1.444 6.937 456 HB3 ALA1002 2HB ALA1002 10.595 -1.865 5.246 457 H LYS1003 H LYS1003 11.653 0.050 3.544 458 HA LYS1003 HA LYS1003 14.081 0.553 5.083 459 HB2 LYS1003 2HB LYS1003 15.351 0.268 3.060 460 HB3 LYS1003 1HB LYS1003 14.162 -1.025 3.168 461 HG2 LYS1003 2HG LYS1003 12.825 -0.092 1.495 462 HG3 LYS1003 1HG LYS1003 13.602 1.480 1.572 463 HD2 LYS1003 2HD LYS1003 15.702 0.423 0.742 464 HD3 LYS1003 1HD LYS1003 14.835 -1.105 0.579 465 HE2 LYS1003 2HE LYS1003 13.262 -0.049 -0.989 466 HE3 LYS1003 1HE LYS1003 14.108 1.484 -0.820 467 HZ1 LYS1003 3HZ LYS1003 16.110 0.423 -1.673 468 HZ2 LYS1003 1HZ LYS1003 14.837 0.327 -2.792 469 HZ3 LYS1003 2HZ LYS1003 15.266 -1.038 -1.874 470 H ARG1004 H ARG1004 11.960 2.358 2.938 471 HA ARG1004 HA ARG1004 13.627 4.589 2.496 472 HB2 ARG1004 2HB ARG1004 10.611 4.379 2.711 473 HB3 ARG1004 1HB ARG1004 11.446 5.848 2.214 474 HG2 ARG1004 2HG ARG1004 12.008 3.249 0.801 475 HG3 ARG1004 1HG ARG1004 10.582 4.187 0.378 476 HD2 ARG1004 2HD ARG1004 12.029 6.155 -0.061 477 HD3 ARG1004 1HD ARG1004 13.448 5.184 0.303 478 HE ARG1004 HE ARG1004 11.998 3.838 -1.675 479 HH11 ARG1004 1HH2 ARG1004 13.698 6.811 -1.190 480 HH12 ARG1004 2HH2 ARG1004 14.181 6.966 -2.847 481 HH21 ARG1004 1HH1 ARG1004 12.631 4.031 -3.850 482 HH22 ARG1004 2HH1 ARG1004 13.580 5.390 -4.352 483 H LEU1005 H LEU1005 11.447 3.754 5.129 484 HA LEU1005 HA LEU1005 11.583 6.188 6.557 485 HB2 LEU1005 2HB LEU1005 11.047 3.340 7.411 486 HB3 LEU1005 1HB LEU1005 10.913 4.710 8.512 487 HG LEU1005 HG LEU1005 9.460 4.558 5.857 488 HD11 LEU1005 1HD1 LEU1005 7.445 4.012 7.266 489 HD12 LEU1005 2HD1 LEU1005 8.538 3.741 8.624 490 HD13 LEU1005 3HD1 LEU1005 8.649 2.726 7.185 491 HD21 LEU1005 3HD2 LEU1005 7.984 6.215 7.447 492 HD22 LEU1005 1HD2 LEU1005 9.271 6.782 6.387 493 HD23 LEU1005 2HD2 LEU1005 9.587 6.529 8.101 494 H SER1006 H SER1006 13.538 3.235 6.671 495 HA SER1006 HA SER1006 15.434 4.542 8.534 496 HB2 SER1006 2HB SER1006 16.246 2.330 9.035 497 HB3 SER1006 1HB SER1006 14.489 2.296 9.148 498 HG SER1006 HG SER1006 15.449 0.544 7.923 Start of MODEL 13 1 HA2 GLY 945 2HA GLY 945 -14.026 21.204 3.556 2 HA3 GLY 945 1HA GLY 945 -12.444 20.497 3.219 3 H ALA 946 H ALA 946 -13.763 17.937 4.475 4 HA ALA 946 HA ALA 946 -15.692 17.120 2.512 5 HB1 ALA 946 3HB ALA 946 -12.884 16.007 2.317 6 HB2 ALA 946 1HB ALA 946 -13.705 16.992 1.106 7 HB3 ALA 946 2HB ALA 946 -14.290 15.368 1.466 8 H MET 947 H MET 947 -13.082 15.571 4.413 9 HA MET 947 HA MET 947 -13.164 13.776 5.861 10 HB2 MET 947 2HB MET 947 -14.149 15.769 7.141 11 HB3 MET 947 1HB MET 947 -15.726 15.048 6.835 12 HG2 MET 947 2HG MET 947 -15.123 13.041 8.033 13 HG3 MET 947 1HG MET 947 -13.445 13.553 8.167 14 HE1 MET 947 3HE MET 947 -13.169 16.084 10.726 15 HE2 MET 947 1HE MET 947 -13.744 16.825 9.229 16 HE3 MET 947 2HE MET 947 -12.634 15.460 9.172 17 H ALA 948 H ALA 948 -14.828 13.764 3.273 18 HA ALA 948 HA ALA 948 -17.113 12.144 3.698 19 HB1 ALA 948 3HB ALA 948 -15.386 12.261 1.216 20 HB2 ALA 948 1HB ALA 948 -16.632 13.446 1.611 21 HB3 ALA 948 2HB ALA 948 -17.077 11.766 1.314 22 H ILE 949 H ILE 949 -13.704 11.426 3.214 23 HA ILE 949 HA ILE 949 -14.130 8.579 2.952 24 HB ILE 949 HB ILE 949 -11.656 8.455 3.035 25 HG12 ILE 949 2HG1 ILE 949 -11.769 11.479 3.259 26 HG13 ILE 949 1HG1 ILE 949 -11.391 10.419 4.614 27 HG21 ILE 949 1HG2 ILE 949 -12.872 8.905 0.918 28 HG22 ILE 949 2HG2 ILE 949 -11.282 9.666 0.939 29 HG23 ILE 949 3HG2 ILE 949 -12.729 10.635 1.222 30 HD11 ILE 949 3HD1 ILE 949 -9.835 10.751 2.042 31 HD12 ILE 949 1HD1 ILE 949 -9.536 9.438 3.181 32 HD13 ILE 949 2HD1 ILE 949 -9.294 11.112 3.682 33 H ALA 950 H ALA 950 -13.831 7.007 4.468 34 HA ALA 950 HA ALA 950 -14.015 7.832 7.252 35 HB1 ALA 950 3HB ALA 950 -14.230 5.333 7.618 36 HB2 ALA 950 1HB ALA 950 -14.171 5.152 5.864 37 HB3 ALA 950 2HB ALA 950 -15.482 6.064 6.614 38 H LEU 951 H LEU 951 -11.516 7.346 5.162 39 HA LEU 951 HA LEU 951 -9.734 5.825 6.820 40 HB2 LEU 951 2HB LEU 951 -9.503 7.351 4.255 41 HB3 LEU 951 1HB LEU 951 -8.020 6.985 5.133 42 HG LEU 951 HG LEU 951 -8.597 4.597 5.141 43 HD11 LEU 951 1HD1 LEU 951 -11.019 4.736 5.188 44 HD12 LEU 951 2HD1 LEU 951 -10.536 3.839 3.748 45 HD13 LEU 951 3HD1 LEU 951 -11.041 5.524 3.613 46 HD21 LEU 951 3HD2 LEU 951 -8.538 4.268 2.608 47 HD22 LEU 951 1HD2 LEU 951 -7.271 5.296 3.280 48 HD23 LEU 951 2HD2 LEU 951 -8.662 6.021 2.473 49 H ARG 952 H ARG 952 -7.967 6.518 7.962 50 HA ARG 952 HA ARG 952 -8.307 9.062 9.315 51 HB2 ARG 952 2HB ARG 952 -6.326 6.797 9.660 52 HB3 ARG 952 1HB ARG 952 -6.391 8.227 10.695 53 HG2 ARG 952 2HG ARG 952 -8.701 7.704 11.316 54 HG3 ARG 952 1HG ARG 952 -8.701 6.321 10.226 55 HD2 ARG 952 2HD ARG 952 -6.843 5.316 11.553 56 HD3 ARG 952 1HD ARG 952 -6.951 6.670 12.675 57 HE ARG 952 HE ARG 952 -8.945 5.775 13.522 58 HH11 ARG 952 1HH2 ARG 952 -7.862 4.124 10.681 59 HH12 ARG 952 2HH2 ARG 952 -8.996 2.827 10.832 60 HH21 ARG 952 1HH1 ARG 952 -10.438 4.066 13.733 61 HH22 ARG 952 2HH1 ARG 952 -10.454 2.792 12.559 62 H ASP 953 H ASP 953 -6.227 10.341 9.767 63 HA ASP 953 HA ASP 953 -5.286 11.466 7.384 64 HB2 ASP 953 2HB ASP 953 -5.249 12.579 9.611 65 HB3 ASP 953 1HB ASP 953 -3.927 11.517 10.086 66 H ASP 954 H ASP 954 -3.728 9.121 9.569 67 HA ASP 954 HA ASP 954 -1.317 8.890 8.102 68 HB2 ASP 954 2HB ASP 954 -2.722 7.045 10.034 69 HB3 ASP 954 1HB ASP 954 -1.153 6.661 9.322 70 H GLU 955 H GLU 955 -4.360 7.112 8.029 71 HA GLU 955 HA GLU 955 -3.594 5.149 6.134 72 HB2 GLU 955 2HB GLU 955 -6.309 6.241 6.895 73 HB3 GLU 955 1HB GLU 955 -6.044 4.813 5.896 74 HG2 GLU 955 2HG GLU 955 -4.868 5.125 8.665 75 HG3 GLU 955 1HG GLU 955 -6.419 4.346 8.368 76 H TYR 956 H TYR 956 -5.052 8.348 5.844 77 HA TYR 956 HA TYR 956 -5.799 8.268 3.145 78 HB2 TYR 956 2HB TYR 956 -6.512 10.075 4.590 79 HB3 TYR 956 1HB TYR 956 -4.841 10.571 4.860 80 HD1 TYR 956 HD1 TYR 956 -7.403 10.123 2.163 81 HD2 TYR 956 HD2 TYR 956 -3.801 12.105 3.409 82 HE1 TYR 956 HE1 TYR 956 -7.507 11.580 0.155 83 HE2 TYR 956 HE2 TYR 956 -3.905 13.558 1.406 84 HH TYR 956 HH TYR 956 -6.437 13.128 -1.056 85 H ASP 957 H ASP 957 -2.735 9.193 4.671 86 HA ASP 957 HA ASP 957 -1.391 9.935 2.289 87 HB2 ASP 957 2HB ASP 957 -0.659 10.443 4.663 88 HB3 ASP 957 1HB ASP 957 -0.105 8.772 4.762 89 H GLU 958 H GLU 958 -1.759 6.867 3.989 90 HA GLU 958 HA GLU 958 0.100 5.374 2.466 91 HB2 GLU 958 2HB GLU 958 -0.864 4.651 4.648 92 HB3 GLU 958 1HB GLU 958 -2.401 4.363 3.836 93 HG2 GLU 958 2HG GLU 958 -1.296 2.746 2.325 94 HG3 GLU 958 1HG GLU 958 0.237 3.027 3.153 95 H TRP 959 H TRP 959 -3.386 5.977 2.062 96 HA TRP 959 HA TRP 959 -3.720 4.235 -0.155 97 HB2 TRP 959 2HB TRP 959 -5.681 4.904 1.039 98 HB3 TRP 959 1HB TRP 959 -5.307 6.610 0.833 99 HD1 TRP 959 HD TRP 959 -5.810 3.616 -1.590 100 HE1 TRP 959 HE1 TRP 959 -7.312 4.433 -3.521 101 HE3 TRP 959 HE3 TRP 959 -6.508 8.452 -0.152 102 HZ2 TRP 959 HZ2 TRP 959 -8.639 6.832 -4.341 103 HZ3 TRP 959 HZ3 TRP 959 -7.892 9.988 -1.521 104 HH2 TRP 959 HH TRP 959 -8.961 9.184 -3.612 105 H GLN 960 H GLN 960 -3.084 7.757 0.032 106 HA GLN 960 HA GLN 960 -3.032 8.117 -2.786 107 HB2 GLN 960 2HB GLN 960 -1.733 9.703 -0.559 108 HB3 GLN 960 1HB GLN 960 -1.760 10.215 -2.249 109 HG2 GLN 960 2HG GLN 960 -4.251 9.562 -0.661 110 HG3 GLN 960 1HG GLN 960 -3.615 11.194 -0.845 111 HE21 GLN 960 1HE2 GLN 960 -5.522 8.741 -2.376 112 HE22 GLN 960 2HE2 GLN 960 -5.752 9.548 -3.850 113 H ASP 961 H ASP 961 -0.597 7.263 -0.422 114 HA ASP 961 HA ASP 961 1.662 7.440 -2.105 115 HB2 ASP 961 2HB ASP 961 1.116 5.844 0.399 116 HB3 ASP 961 1HB ASP 961 2.675 5.844 -0.417 117 H ILE 962 H ILE 962 -0.637 4.806 -1.472 118 HA ILE 962 HA ILE 962 0.876 2.853 -2.891 119 HB ILE 962 HB ILE 962 -1.256 2.674 -1.207 120 HG12 ILE 962 2HG1 ILE 962 -1.531 0.268 -2.286 121 HG13 ILE 962 1HG1 ILE 962 -0.167 0.775 -3.282 122 HG21 ILE 962 1HG2 ILE 962 -2.799 3.560 -2.984 123 HG22 ILE 962 2HG2 ILE 962 -3.255 1.973 -2.391 124 HG23 ILE 962 3HG2 ILE 962 -2.444 2.145 -3.943 125 HD11 ILE 962 3HD1 ILE 962 0.577 -0.429 -1.243 126 HD12 ILE 962 1HD1 ILE 962 -0.205 0.797 -0.248 127 HD13 ILE 962 2HD1 ILE 962 1.162 1.232 -1.270 128 H ILE 963 H ILE 963 -1.624 5.168 -3.762 129 HA ILE 963 HA ILE 963 -2.127 4.279 -6.393 130 HB ILE 963 HB ILE 963 -2.186 7.035 -5.167 131 HG12 ILE 963 2HG1 ILE 963 -4.426 5.170 -5.961 132 HG13 ILE 963 1HG1 ILE 963 -3.773 5.280 -4.335 133 HG21 ILE 963 1HG2 ILE 963 -1.995 7.559 -7.437 134 HG22 ILE 963 2HG2 ILE 963 -3.742 7.428 -7.261 135 HG23 ILE 963 3HG2 ILE 963 -2.823 6.094 -7.953 136 HD11 ILE 963 3HD1 ILE 963 -5.243 6.949 -3.952 137 HD12 ILE 963 1HD1 ILE 963 -5.696 7.013 -5.650 138 HD13 ILE 963 2HD1 ILE 963 -4.325 7.956 -5.065 139 H ARG 964 H ARG 964 0.267 6.515 -5.051 140 HA ARG 964 HA ARG 964 1.481 7.245 -7.491 141 HB2 ARG 964 2HB ARG 964 1.885 8.417 -5.339 142 HB3 ARG 964 1HB ARG 964 2.773 7.006 -4.763 143 HG2 ARG 964 2HG ARG 964 4.404 7.247 -6.563 144 HG3 ARG 964 1HG ARG 964 3.493 8.596 -7.244 145 HD2 ARG 964 2HD ARG 964 3.819 9.826 -5.082 146 HD3 ARG 964 1HD ARG 964 4.853 8.510 -4.536 147 HE ARG 964 HE ARG 964 6.534 9.321 -5.925 148 HH11 ARG 964 1HH2 ARG 964 3.463 10.673 -6.751 149 HH12 ARG 964 2HH2 ARG 964 4.118 11.874 -7.817 150 HH21 ARG 964 1HH1 ARG 964 7.408 10.889 -7.322 151 HH22 ARG 964 2HH1 ARG 964 6.355 11.993 -8.142 152 H ASP 965 H ASP 965 2.062 4.564 -5.246 153 HA ASP 965 HA ASP 965 4.369 3.531 -6.480 154 HB2 ASP 965 2HB ASP 965 3.619 2.837 -4.247 155 HB3 ASP 965 1HB ASP 965 2.223 2.034 -4.966 156 H TRP 966 H TRP 966 0.914 2.778 -7.070 157 HA TRP 966 HA TRP 966 1.577 0.813 -9.086 158 HB2 TRP 966 2HB TRP 966 -1.116 2.127 -8.747 159 HB3 TRP 966 1HB TRP 966 -0.747 0.545 -9.421 160 HD1 TRP 966 HD TRP 966 -2.132 1.971 -6.467 161 HE1 TRP 966 HE1 TRP 966 -1.918 0.424 -4.428 162 HE3 TRP 966 HE3 TRP 966 1.364 -1.322 -8.224 163 HZ2 TRP 966 HZ2 TRP 966 -0.452 -1.903 -3.634 164 HZ3 TRP 966 HZ3 TRP 966 2.144 -3.192 -6.803 165 HH2 TRP 966 HH TRP 966 1.241 -3.490 -4.514 166 H ARG 967 H ARG 967 1.736 4.095 -9.032 167 HA ARG 967 HA ARG 967 1.827 5.742 -10.620 168 HB2 ARG 967 2HB ARG 967 2.472 3.352 -12.362 169 HB3 ARG 967 1HB ARG 967 2.727 5.038 -12.820 170 HG2 ARG 967 2HG ARG 967 4.223 5.353 -10.895 171 HG3 ARG 967 1HG ARG 967 3.959 3.678 -10.404 172 HD2 ARG 967 2HD ARG 967 6.044 3.759 -11.615 173 HD3 ARG 967 1HD ARG 967 4.859 2.967 -12.649 174 HE ARG 967 HE ARG 967 4.835 5.732 -13.205 175 HH11 ARG 967 1HH2 ARG 967 6.852 2.931 -13.485 176 HH12 ARG 967 2HH2 ARG 967 7.665 3.492 -14.909 177 HH21 ARG 967 1HH1 ARG 967 5.900 6.469 -15.073 178 HH22 ARG 967 2HH1 ARG 967 7.127 5.490 -15.805 179 H LYS 968 H LYS 968 -0.737 3.962 -10.294 180 HA LYS 968 HA LYS 968 -2.170 5.286 -12.498 181 HB2 LYS 968 2HB LYS 968 -3.402 3.356 -13.135 182 HB3 LYS 968 1HB LYS 968 -1.713 2.868 -13.129 183 HG2 LYS 968 2HG LYS 968 -2.023 1.859 -10.884 184 HG3 LYS 968 1HG LYS 968 -3.726 2.322 -10.919 185 HD2 LYS 968 2HD LYS 968 -3.883 1.030 -13.124 186 HD3 LYS 968 1HD LYS 968 -2.301 0.363 -12.725 187 HE2 LYS 968 2HE LYS 968 -4.703 0.201 -10.884 188 HE3 LYS 968 1HE LYS 968 -4.235 -1.081 -12.000 189 HZ1 LYS 968 3HZ LYS 968 -2.227 0.007 -10.168 190 HZ2 LYS 968 1HZ LYS 968 -2.353 -1.553 -10.818 191 HZ3 LYS 968 2HZ LYS 968 -3.384 -1.072 -9.554 192 H GLU 969 H GLU 969 -4.287 5.853 -12.005 193 HA GLU 969 HA GLU 969 -4.794 6.251 -9.209 194 HB2 GLU 969 2HB GLU 969 -6.797 7.451 -9.984 195 HB3 GLU 969 1HB GLU 969 -5.358 7.961 -10.868 196 HG2 GLU 969 2HG GLU 969 -5.961 6.378 -12.695 197 HG3 GLU 969 1HG GLU 969 -7.441 5.976 -11.825 198 H MET 970 H MET 970 -6.207 5.294 -7.882 199 HA MET 970 HA MET 970 -8.183 3.385 -8.900 200 HB2 MET 970 2HB MET 970 -7.417 1.742 -7.075 201 HB3 MET 970 1HB MET 970 -6.434 1.837 -8.536 202 HG2 MET 970 2HG MET 970 -4.846 3.311 -7.429 203 HG3 MET 970 1HG MET 970 -5.863 3.370 -5.992 204 HE1 MET 970 3HE MET 970 -6.273 1.283 -4.347 205 HE2 MET 970 1HE MET 970 -4.924 2.398 -4.092 206 HE3 MET 970 2HE MET 970 -4.694 0.668 -3.867 207 H THR 971 H THR 971 -9.558 2.585 -6.988 208 HA THR 971 HA THR 971 -10.251 4.942 -5.388 209 HB THR 971 HB THR 971 -12.321 3.726 -4.910 210 HG1 THR 971 HG1 THR 971 -12.433 1.662 -5.233 211 HG21 THR 971 3HG2 THR 971 -11.465 3.724 -7.815 212 HG22 THR 971 1HG2 THR 971 -12.236 5.047 -6.943 213 HG23 THR 971 2HG2 THR 971 -13.136 3.564 -7.269 214 H VAL 972 H VAL 972 -10.931 4.653 -3.150 215 HA VAL 972 HA VAL 972 -8.898 3.527 -1.528 216 HB VAL 972 HB VAL 972 -11.644 4.670 -0.983 217 HG11 VAL 972 1HG1 VAL 972 -9.762 3.253 0.886 218 HG12 VAL 972 2HG1 VAL 972 -11.521 3.268 0.876 219 HG13 VAL 972 3HG1 VAL 972 -10.636 4.665 1.481 220 HG21 VAL 972 3HG2 VAL 972 -9.824 6.201 -1.668 221 HG22 VAL 972 1HG2 VAL 972 -8.827 5.597 -0.345 222 HG23 VAL 972 2HG2 VAL 972 -10.306 6.492 0.003 223 H GLN 973 H GLN 973 -12.227 2.497 -2.292 224 HA GLN 973 HA GLN 973 -12.443 0.356 -0.550 225 HB2 GLN 973 2HB GLN 973 -13.640 1.057 -3.202 226 HB3 GLN 973 1HB GLN 973 -13.867 -0.592 -2.632 227 HG2 GLN 973 2HG GLN 973 -15.735 0.801 -1.894 228 HG3 GLN 973 1HG GLN 973 -14.784 0.307 -0.493 229 HE21 GLN 973 1HE2 GLN 973 -14.719 3.019 -2.899 230 HE22 GLN 973 2HE2 GLN 973 -14.429 4.217 -1.732 231 H GLN 974 H GLN 974 -11.018 0.415 -3.807 232 HA GLN 974 HA GLN 974 -10.433 -2.332 -3.991 233 HB2 GLN 974 2HB GLN 974 -9.368 0.167 -5.271 234 HB3 GLN 974 1HB GLN 974 -8.509 -1.348 -5.529 235 HG2 GLN 974 2HG GLN 974 -10.298 -0.761 -7.254 236 HG3 GLN 974 1HG GLN 974 -10.398 -2.372 -6.554 237 HE21 GLN 974 1HE2 GLN 974 -12.230 0.380 -7.262 238 HE22 GLN 974 2HE2 GLN 974 -13.536 0.087 -6.219 239 H PHE 975 H PHE 975 -8.638 0.359 -2.549 240 HA PHE 975 HA PHE 975 -6.259 -1.059 -1.992 241 HB2 PHE 975 2HB PHE 975 -6.339 1.366 -1.873 242 HB3 PHE 975 1HB PHE 975 -7.493 1.295 -0.545 243 HD1 PHE 975 HD1 PHE 975 -4.125 -0.064 -1.495 244 HD2 PHE 975 HD2 PHE 975 -6.675 1.390 1.638 245 HE1 PHE 975 HE1 PHE 975 -2.257 -0.263 0.120 246 HE2 PHE 975 HE2 PHE 975 -4.804 1.191 3.253 247 HZ PHE 975 HZ PHE 975 -2.594 0.365 2.494 248 H LEU 976 H LEU 976 -9.220 -0.560 -0.087 249 HA LEU 976 HA LEU 976 -8.371 -1.943 2.238 250 HB2 LEU 976 2HB LEU 976 -10.989 -1.095 1.073 251 HB3 LEU 976 1HB LEU 976 -11.044 -2.326 2.329 252 HG LEU 976 HG LEU 976 -9.936 -0.868 3.897 253 HD11 LEU 976 1HD1 LEU 976 -9.520 1.590 2.994 254 HD12 LEU 976 2HD1 LEU 976 -9.359 0.760 1.444 255 HD13 LEU 976 3HD1 LEU 976 -8.310 0.330 2.793 256 HD21 LEU 976 3HD2 LEU 976 -11.571 0.974 4.019 257 HD22 LEU 976 1HD2 LEU 976 -12.364 -0.540 3.578 258 HD23 LEU 976 2HD2 LEU 976 -12.038 0.677 2.343 259 H ASP 977 H ASP 977 -9.925 -3.040 -0.764 260 HA ASP 977 HA ASP 977 -10.338 -5.711 0.126 261 HB2 ASP 977 2HB ASP 977 -11.413 -4.609 -1.894 262 HB3 ASP 977 1HB ASP 977 -9.880 -4.843 -2.733 263 H LEU 978 H LEU 978 -7.671 -4.014 -1.419 264 HA LEU 978 HA LEU 978 -6.084 -6.261 -2.052 265 HB2 LEU 978 2HB LEU 978 -5.626 -4.143 -3.088 266 HB3 LEU 978 1HB LEU 978 -5.371 -3.369 -1.527 267 HG LEU 978 HG LEU 978 -3.361 -4.743 -1.151 268 HD11 LEU 978 1HD1 LEU 978 -2.535 -6.072 -3.191 269 HD12 LEU 978 2HD1 LEU 978 -4.193 -5.973 -3.785 270 HD13 LEU 978 3HD1 LEU 978 -3.845 -6.797 -2.263 271 HD21 LEU 978 3HD2 LEU 978 -1.951 -3.689 -2.784 272 HD22 LEU 978 1HD2 LEU 978 -3.285 -2.583 -2.458 273 HD23 LEU 978 2HD2 LEU 978 -3.282 -3.550 -3.933 274 H LYS 979 H LYS 979 -6.060 -4.120 0.817 275 HA LYS 979 HA LYS 979 -3.922 -5.533 2.068 276 HB2 LYS 979 2HB LYS 979 -4.218 -4.056 3.861 277 HB3 LYS 979 1HB LYS 979 -4.780 -3.113 2.484 278 HG2 LYS 979 2HG LYS 979 -7.104 -3.865 3.020 279 HG3 LYS 979 1HG LYS 979 -6.487 -4.582 4.493 280 HD2 LYS 979 2HD LYS 979 -5.538 -2.315 5.081 281 HD3 LYS 979 1HD LYS 979 -6.435 -1.672 3.700 282 HE2 LYS 979 2HE LYS 979 -8.539 -2.539 4.674 283 HE3 LYS 979 1HE LYS 979 -7.640 -3.137 6.066 284 HZ1 LYS 979 3HZ LYS 979 -7.008 -0.424 5.585 285 HZ2 LYS 979 1HZ LYS 979 -7.678 -1.133 6.973 286 HZ3 LYS 979 2HZ LYS 979 -8.692 -0.605 5.716 287 H GLU 980 H GLU 980 -7.469 -5.619 2.432 288 HA GLU 980 HA GLU 980 -7.640 -7.417 4.530 289 HB2 GLU 980 2HB GLU 980 -9.592 -6.312 3.446 290 HB3 GLU 980 1HB GLU 980 -9.403 -7.397 2.068 291 HG2 GLU 980 2HG GLU 980 -9.765 -9.342 3.508 292 HG3 GLU 980 1HG GLU 980 -9.865 -8.297 4.924 293 H ARG 981 H ARG 981 -7.465 -8.178 1.041 294 HA ARG 981 HA ARG 981 -7.403 -10.983 1.333 295 HB2 ARG 981 2HB ARG 981 -6.397 -9.145 -0.837 296 HB3 ARG 981 1HB ARG 981 -6.342 -10.900 -0.977 297 HG2 ARG 981 2HG ARG 981 -8.883 -9.384 -0.326 298 HG3 ARG 981 1HG ARG 981 -8.403 -9.758 -1.978 299 HD2 ARG 981 2HD ARG 981 -9.701 -11.621 -1.563 300 HD3 ARG 981 1HD ARG 981 -8.185 -12.240 -0.923 301 HE ARG 981 HE ARG 981 -9.459 -10.929 1.181 302 HH11 ARG 981 1HH2 ARG 981 -10.044 -13.556 -0.993 303 HH12 ARG 981 2HH2 ARG 981 -10.979 -14.472 0.143 304 HH21 ARG 981 1HH1 ARG 981 -10.690 -12.119 2.673 305 HH22 ARG 981 2HH1 ARG 981 -11.347 -13.656 2.218 306 H ALA 982 H ALA 982 -4.709 -8.651 0.989 307 HA ALA 982 HA ALA 982 -2.646 -10.576 1.035 308 HB1 ALA 982 3HB ALA 982 -1.154 -8.726 1.540 309 HB2 ALA 982 1HB ALA 982 -2.523 -7.723 2.012 310 HB3 ALA 982 2HB ALA 982 -2.336 -8.224 0.346 311 H LEU 983 H LEU 983 -3.994 -8.595 3.633 312 HA LEU 983 HA LEU 983 -2.324 -9.609 5.626 313 HB2 LEU 983 2HB LEU 983 -4.890 -8.069 5.593 314 HB3 LEU 983 1HB LEU 983 -4.400 -8.808 7.112 315 HG LEU 983 HG LEU 983 -2.280 -7.619 7.071 316 HD11 LEU 983 1HD1 LEU 983 -3.187 -6.572 4.390 317 HD12 LEU 983 2HD1 LEU 983 -1.790 -7.590 4.690 318 HD13 LEU 983 3HD1 LEU 983 -1.820 -5.936 5.286 319 HD21 LEU 983 3HD2 LEU 983 -4.035 -6.356 8.079 320 HD22 LEU 983 1HD2 LEU 983 -4.717 -5.924 6.512 321 HD23 LEU 983 2HD2 LEU 983 -3.180 -5.231 7.023 322 H SER 984 H SER 984 -5.198 -10.833 4.128 323 HA SER 984 HA SER 984 -5.793 -12.764 6.197 324 HB2 SER 984 2HB SER 984 -7.504 -13.562 4.725 325 HB3 SER 984 1HB SER 984 -7.501 -11.808 4.594 326 HG SER 984 HG SER 984 -5.825 -13.227 2.884 327 H GLY 985 H GLY 985 -3.310 -12.521 4.050 328 HA2 GLY 985 2HA GLY 985 -1.593 -14.115 3.830 329 HA3 GLY 985 1HA GLY 985 -2.733 -15.389 4.240 330 H ALA 986 H ALA 986 -3.536 -12.990 1.815 331 HA ALA 986 HA ALA 986 -4.021 -14.978 -0.168 332 HB1 ALA 986 3HB ALA 986 -3.751 -11.981 -0.413 333 HB2 ALA 986 1HB ALA 986 -5.233 -12.889 -0.210 334 HB3 ALA 986 2HB ALA 986 -4.318 -13.043 -1.699 335 H SER 987 H SER 987 -2.825 -15.597 -1.936 336 HA SER 987 HA SER 987 0.022 -14.854 -1.860 337 HB2 SER 987 2HB SER 987 -1.410 -17.139 -3.232 338 HB3 SER 987 1HB SER 987 0.321 -16.841 -3.333 339 HG SER 987 HG SER 987 -1.097 -17.145 -0.894 340 H ASP 988 H ASP 988 -2.762 -14.007 -3.507 341 HA ASP 988 HA ASP 988 -2.220 -13.858 -6.169 342 HB2 ASP 988 2HB ASP 988 -3.396 -11.744 -4.355 343 HB3 ASP 988 1HB ASP 988 -3.374 -11.586 -6.109 344 HA PRO 989 HA PRO 989 1.580 -11.640 -6.679 345 HB2 PRO 989 2HB PRO 989 1.012 -10.101 -8.933 346 HB3 PRO 989 1HB PRO 989 1.477 -11.812 -8.974 347 HG2 PRO 989 2HG PRO 989 -1.245 -10.594 -9.120 348 HG3 PRO 989 1HG PRO 989 -0.569 -11.957 -10.033 349 HD2 PRO 989 2HD PRO 989 -2.233 -12.372 -7.961 350 HD3 PRO 989 1HD PRO 989 -0.862 -13.463 -8.266 351 H ASP 990 H ASP 990 -1.434 -9.866 -6.705 352 HA ASP 990 HA ASP 990 -0.347 -7.279 -6.243 353 HB2 ASP 990 2HB ASP 990 -3.073 -8.483 -5.760 354 HB3 ASP 990 1HB ASP 990 -2.701 -6.800 -5.400 355 H SER 991 H SER 991 -1.395 -9.915 -4.128 356 HA SER 991 HA SER 991 -1.190 -8.456 -1.694 357 HB2 SER 991 2HB SER 991 -2.518 -10.355 -1.525 358 HB3 SER 991 1HB SER 991 -1.364 -11.368 -2.396 359 HG SER 991 HG SER 991 -0.059 -11.386 -0.620 360 H GLN 992 H GLN 992 1.029 -10.865 -3.176 361 HA GLN 992 HA GLN 992 2.989 -10.583 -1.154 362 HB2 GLN 992 2HB GLN 992 4.554 -11.452 -3.064 363 HB3 GLN 992 1HB GLN 992 3.294 -12.510 -2.430 364 HG2 GLN 992 2HG GLN 992 1.971 -12.320 -4.325 365 HG3 GLN 992 1HG GLN 992 2.614 -10.741 -4.749 366 HE21 GLN 992 1HE2 GLN 992 3.611 -11.015 -6.765 367 HE22 GLN 992 2HE2 GLN 992 4.706 -12.259 -7.130 368 H ARG 993 H ARG 993 2.423 -8.893 -4.205 369 HA ARG 993 HA ARG 993 4.800 -7.345 -4.175 370 HB2 ARG 993 2HB ARG 993 2.099 -6.950 -5.458 371 HB3 ARG 993 1HB ARG 993 3.396 -5.773 -5.645 372 HG2 ARG 993 2HG ARG 993 3.972 -8.680 -6.197 373 HG3 ARG 993 1HG ARG 993 3.111 -7.737 -7.413 374 HD2 ARG 993 2HD ARG 993 5.827 -7.082 -6.230 375 HD3 ARG 993 1HD ARG 993 5.517 -7.667 -7.858 376 HE ARG 993 HE ARG 993 4.028 -5.421 -7.800 377 HH11 ARG 993 1HH2 ARG 993 7.275 -6.114 -6.808 378 HH12 ARG 993 2HH2 ARG 993 7.858 -4.517 -7.140 379 HH21 ARG 993 1HH1 ARG 993 4.794 -3.332 -8.238 380 HH22 ARG 993 2HH1 ARG 993 6.457 -2.944 -7.947 381 H TYR 994 H TYR 994 1.592 -6.900 -2.772 382 HA TYR 994 HA TYR 994 1.922 -4.240 -1.884 383 HB2 TYR 994 2HB TYR 994 -0.280 -5.233 -1.888 384 HB3 TYR 994 1HB TYR 994 0.241 -6.505 -0.789 385 HD1 TYR 994 HD1 TYR 994 0.225 -2.754 -0.993 386 HD2 TYR 994 HD2 TYR 994 -0.235 -6.232 1.486 387 HE1 TYR 994 HE1 TYR 994 -0.333 -1.305 0.941 388 HE2 TYR 994 HE2 TYR 994 -0.794 -4.783 3.417 389 HH TYR 994 HH TYR 994 -1.706 -1.656 3.168 390 H ASN 995 H ASN 995 2.591 -7.362 -0.314 391 HA ASN 995 HA ASN 995 3.496 -6.304 2.144 392 HB2 ASN 995 2HB ASN 995 4.132 -8.883 0.700 393 HB3 ASN 995 1HB ASN 995 4.726 -8.513 2.318 394 HD21 ASN 995 1HD2 ASN 995 2.369 -10.278 0.914 395 HD22 ASN 995 2HD2 ASN 995 1.127 -10.101 2.057 396 H ALA 996 H ALA 996 5.138 -7.035 -0.910 397 HA ALA 996 HA ALA 996 7.765 -6.450 -0.018 398 HB1 ALA 996 3HB ALA 996 6.648 -6.058 -2.781 399 HB2 ALA 996 1HB ALA 996 7.222 -7.609 -2.182 400 HB3 ALA 996 2HB ALA 996 8.338 -6.247 -2.361 401 H TRP 997 H TRP 997 5.217 -4.486 -1.500 402 HA TRP 997 HA TRP 997 6.649 -2.137 -1.828 403 HB2 TRP 997 2HB TRP 997 4.387 -2.356 -2.705 404 HB3 TRP 997 1HB TRP 997 3.735 -2.485 -1.070 405 HD1 TRP 997 HD TRP 997 5.746 0.017 -3.217 406 HE1 TRP 997 HE1 TRP 997 5.112 2.402 -2.486 407 HE3 TRP 997 HE3 TRP 997 2.605 -1.060 0.666 408 HZ2 TRP 997 HZ2 TRP 997 3.491 3.683 -0.516 409 HZ3 TRP 997 HZ3 TRP 997 1.529 0.769 1.950 410 HH2 TRP 997 HH TRP 997 1.966 3.134 1.360 411 H LEU 998 H LEU 998 4.992 -3.446 1.017 412 HA LEU 998 HA LEU 998 5.487 -1.226 2.718 413 HB2 LEU 998 2HB LEU 998 5.033 -4.155 3.316 414 HB3 LEU 998 1HB LEU 998 5.222 -2.938 4.572 415 HG LEU 998 HG LEU 998 3.136 -2.808 2.372 416 HD11 LEU 998 1HD1 LEU 998 1.544 -3.429 4.200 417 HD12 LEU 998 2HD1 LEU 998 2.928 -3.739 5.249 418 HD13 LEU 998 3HD1 LEU 998 2.680 -4.716 3.803 419 HD21 LEU 998 3HD2 LEU 998 3.283 -0.602 3.099 420 HD22 LEU 998 1HD2 LEU 998 3.880 -1.047 4.697 421 HD23 LEU 998 2HD2 LEU 998 2.169 -1.217 4.316 422 H GLU 999 H GLU 999 7.305 -4.129 1.872 423 HA GLU 999 HA GLU 999 9.418 -3.780 3.729 424 HB2 GLU 999 2HB GLU 999 9.061 -5.905 2.553 425 HB3 GLU 999 1HB GLU 999 9.441 -5.142 1.010 426 HG2 GLU 999 2HG GLU 999 11.711 -4.654 1.781 427 HG3 GLU 999 1HG GLU 999 11.339 -5.314 3.373 428 H LEU1000 H LEU1000 8.983 -2.659 0.370 429 HA LEU1000 HA LEU1000 11.512 -1.434 0.071 430 HB2 LEU1000 2HB LEU1000 8.850 -0.615 -1.134 431 HB3 LEU1000 1HB LEU1000 10.432 -0.085 -1.694 432 HG LEU1000 HG LEU1000 9.420 -2.937 -1.681 433 HD11 LEU1000 1HD1 LEU1000 9.739 -2.570 -4.218 434 HD12 LEU1000 2HD1 LEU1000 9.749 -0.852 -3.829 435 HD13 LEU1000 3HD1 LEU1000 8.331 -1.831 -3.459 436 HD21 LEU1000 3HD2 LEU1000 12.100 -1.723 -2.294 437 HD22 LEU1000 1HD2 LEU1000 11.573 -3.164 -3.168 438 HD23 LEU1000 2HD2 LEU1000 11.715 -3.205 -1.416 439 H ARG1001 H ARG1001 8.403 -0.293 1.291 440 HA ARG1001 HA ARG1001 9.143 2.382 1.763 441 HB2 ARG1001 2HB ARG1001 6.824 1.704 1.827 442 HB3 ARG1001 1HB ARG1001 7.138 0.580 3.143 443 HG2 ARG1001 2HG ARG1001 7.566 2.322 4.681 444 HG3 ARG1001 1HG ARG1001 7.720 3.520 3.402 445 HD2 ARG1001 2HD ARG1001 5.324 3.248 2.864 446 HD3 ARG1001 1HD ARG1001 5.175 2.027 4.119 447 HE ARG1001 HE ARG1001 6.156 4.222 5.439 448 HH11 ARG1001 1HH2 ARG1001 3.482 3.578 3.340 449 HH12 ARG1001 2HH2 ARG1001 2.441 4.747 4.080 450 HH21 ARG1001 1HH1 ARG1001 4.792 5.756 6.420 451 HH22 ARG1001 2HH1 ARG1001 3.182 5.978 5.820 452 H ALA1002 H ALA1002 9.329 -0.530 3.714 453 HA ALA1002 HA ALA1002 10.205 0.576 6.105 454 HB1 ALA1002 3HB ALA1002 11.291 -2.038 5.068 455 HB2 ALA1002 1HB ALA1002 9.597 -1.885 5.534 456 HB3 ALA1002 2HB ALA1002 10.867 -1.595 6.720 457 H LYS1003 H LYS1003 11.890 -0.182 3.116 458 HA LYS1003 HA LYS1003 14.527 0.253 4.140 459 HB2 LYS1003 2HB LYS1003 13.536 0.484 1.288 460 HB3 LYS1003 1HB LYS1003 15.220 0.476 1.785 461 HG2 LYS1003 2HG LYS1003 14.841 -1.759 2.848 462 HG3 LYS1003 1HG LYS1003 13.222 -1.758 2.172 463 HD2 LYS1003 2HD LYS1003 14.135 -1.574 -0.102 464 HD3 LYS1003 1HD LYS1003 15.771 -1.550 0.555 465 HE2 LYS1003 2HE LYS1003 13.832 -3.822 1.055 466 HE3 LYS1003 1HE LYS1003 14.979 -3.812 -0.286 467 HZ1 LYS1003 3HZ LYS1003 16.057 -3.200 2.345 468 HZ2 LYS1003 1HZ LYS1003 16.727 -4.109 1.082 469 HZ3 LYS1003 2HZ LYS1003 15.554 -4.804 2.096 470 H ARG1004 H ARG1004 12.135 2.338 2.527 471 HA ARG1004 HA ARG1004 13.881 4.674 3.067 472 HB2 ARG1004 2HB ARG1004 12.423 5.883 1.465 473 HB3 ARG1004 1HB ARG1004 13.249 4.507 0.749 474 HG2 ARG1004 2HG ARG1004 11.198 3.157 0.976 475 HG3 ARG1004 1HG ARG1004 10.364 4.541 1.682 476 HD2 ARG1004 2HD ARG1004 9.812 4.503 -0.662 477 HD3 ARG1004 1HD ARG1004 10.916 5.847 -0.389 478 HE ARG1004 HE ARG1004 12.589 4.690 -1.566 479 HH11 ARG1004 1HH2 ARG1004 9.722 2.792 -1.122 480 HH12 ARG1004 2HH2 ARG1004 10.194 1.575 -2.256 481 HH21 ARG1004 1HH1 ARG1004 13.216 3.077 -3.033 482 HH22 ARG1004 2HH1 ARG1004 12.175 1.725 -3.324 483 H LEU1005 H LEU1005 13.482 5.836 4.785 484 HA LEU1005 HA LEU1005 10.851 5.710 6.086 485 HB2 LEU1005 2HB LEU1005 13.596 6.625 6.933 486 HB3 LEU1005 1HB LEU1005 12.169 7.100 7.854 487 HG LEU1005 HG LEU1005 11.548 4.709 8.093 488 HD11 LEU1005 1HD1 LEU1005 13.481 3.076 7.544 489 HD12 LEU1005 2HD1 LEU1005 14.081 4.352 6.484 490 HD13 LEU1005 3HD1 LEU1005 12.489 3.647 6.205 491 HD21 LEU1005 3HD2 LEU1005 14.325 5.536 8.987 492 HD22 LEU1005 1HD2 LEU1005 13.505 4.094 9.589 493 HD23 LEU1005 2HD2 LEU1005 12.819 5.691 9.892 494 H SER1006 H SER1006 9.446 7.369 6.136 495 HA SER1006 HA SER1006 8.454 9.355 5.534 496 HB2 SER1006 2HB SER1006 11.166 10.580 6.030 497 HB3 SER1006 1HB SER1006 9.583 11.326 6.236 498 HG SER1006 HG SER1006 9.188 9.869 7.926 Start of MODEL 14 1 HA2 GLY 945 2HA GLY 945 -9.899 20.022 -1.898 2 HA3 GLY 945 1HA GLY 945 -9.035 18.948 -0.797 3 H ALA 946 H ALA 946 -9.846 16.948 -0.560 4 HA ALA 946 HA ALA 946 -12.194 16.093 -1.885 5 HB1 ALA 946 3HB ALA 946 -11.785 13.956 -0.889 6 HB2 ALA 946 1HB ALA 946 -10.847 14.675 0.419 7 HB3 ALA 946 2HB ALA 946 -10.204 14.663 -1.223 8 H MET 947 H MET 947 -14.272 15.799 -1.183 9 HA MET 947 HA MET 947 -15.198 17.333 1.008 10 HB2 MET 947 2HB MET 947 -16.573 15.132 -0.557 11 HB3 MET 947 1HB MET 947 -17.383 16.238 0.553 12 HG2 MET 947 2HG MET 947 -15.803 17.093 -1.890 13 HG3 MET 947 1HG MET 947 -17.558 16.971 -1.830 14 HE1 MET 947 3HE MET 947 -18.930 17.853 -0.196 15 HE2 MET 947 1HE MET 947 -18.992 19.620 -0.173 16 HE3 MET 947 2HE MET 947 -18.383 18.739 1.224 17 H ALA 948 H ALA 948 -14.562 13.879 0.598 18 HA ALA 948 HA ALA 948 -14.472 13.568 3.518 19 HB1 ALA 948 3HB ALA 948 -16.133 11.767 1.738 20 HB2 ALA 948 1HB ALA 948 -16.789 12.984 2.833 21 HB3 ALA 948 2HB ALA 948 -15.907 11.600 3.479 22 H ILE 949 H ILE 949 -13.020 12.041 4.187 23 HA ILE 949 HA ILE 949 -11.525 10.577 2.076 24 HB ILE 949 HB ILE 949 -9.542 10.812 3.505 25 HG12 ILE 949 2HG1 ILE 949 -11.399 12.454 5.259 26 HG13 ILE 949 1HG1 ILE 949 -10.669 10.907 5.690 27 HG21 ILE 949 1HG2 ILE 949 -9.138 13.128 3.058 28 HG22 ILE 949 2HG2 ILE 949 -10.855 13.513 3.150 29 HG23 ILE 949 3HG2 ILE 949 -10.236 12.570 1.796 30 HD11 ILE 949 3HD1 ILE 949 -8.407 11.983 5.317 31 HD12 ILE 949 1HD1 ILE 949 -9.310 12.612 6.693 32 HD13 ILE 949 2HD1 ILE 949 -9.244 13.531 5.190 33 H ALA 950 H ALA 950 -12.887 10.496 5.319 34 HA ALA 950 HA ALA 950 -13.594 8.737 6.601 35 HB1 ALA 950 3HB ALA 950 -12.823 6.793 4.447 36 HB2 ALA 950 1HB ALA 950 -14.221 7.848 4.240 37 HB3 ALA 950 2HB ALA 950 -14.165 6.711 5.587 38 H LEU 951 H LEU 951 -10.698 7.983 4.770 39 HA LEU 951 HA LEU 951 -9.543 6.344 6.825 40 HB2 LEU 951 2HB LEU 951 -8.753 7.358 4.141 41 HB3 LEU 951 1HB LEU 951 -7.439 6.907 5.219 42 HG LEU 951 HG LEU 951 -8.386 4.666 5.477 43 HD11 LEU 951 1HD1 LEU 951 -10.744 5.022 5.339 44 HD12 LEU 951 2HD1 LEU 951 -10.325 4.057 3.927 45 HD13 LEU 951 3HD1 LEU 951 -10.603 5.791 3.760 46 HD21 LEU 951 3HD2 LEU 951 -8.189 3.943 3.062 47 HD22 LEU 951 1HD2 LEU 951 -6.867 4.967 3.626 48 HD23 LEU 951 2HD2 LEU 951 -8.149 5.651 2.628 49 H ARG 952 H ARG 952 -7.709 6.805 8.065 50 HA ARG 952 HA ARG 952 -7.686 9.399 9.236 51 HB2 ARG 952 2HB ARG 952 -5.635 7.184 9.488 52 HB3 ARG 952 1HB ARG 952 -5.808 8.568 10.566 53 HG2 ARG 952 2HG ARG 952 -8.127 7.810 11.106 54 HG3 ARG 952 1HG ARG 952 -7.854 6.379 10.111 55 HD2 ARG 952 2HD ARG 952 -6.147 7.155 12.488 56 HD3 ARG 952 1HD ARG 952 -7.444 5.966 12.539 57 HE ARG 952 HE ARG 952 -5.839 5.090 10.503 58 HH11 ARG 952 1HH2 ARG 952 -5.351 6.009 13.806 59 HH12 ARG 952 2HH2 ARG 952 -4.052 4.893 14.066 60 HH21 ARG 952 1HH1 ARG 952 -4.142 3.620 10.845 61 HH22 ARG 952 2HH1 ARG 952 -3.386 3.525 12.402 62 H ASP 953 H ASP 953 -5.531 10.617 9.503 63 HA ASP 953 HA ASP 953 -4.715 11.600 6.996 64 HB2 ASP 953 2HB ASP 953 -3.510 11.814 9.754 65 HB3 ASP 953 1HB ASP 953 -2.806 12.622 8.354 66 H ASP 954 H ASP 954 -3.149 9.306 9.220 67 HA ASP 954 HA ASP 954 -0.799 8.937 7.659 68 HB2 ASP 954 2HB ASP 954 -2.152 7.442 9.891 69 HB3 ASP 954 1HB ASP 954 -0.830 6.664 9.025 70 H GLU 955 H GLU 955 -3.899 7.260 7.830 71 HA GLU 955 HA GLU 955 -3.243 5.204 5.981 72 HB2 GLU 955 2HB GLU 955 -5.894 6.337 6.897 73 HB3 GLU 955 1HB GLU 955 -5.726 4.903 5.882 74 HG2 GLU 955 2HG GLU 955 -4.310 5.176 8.538 75 HG3 GLU 955 1HG GLU 955 -5.923 4.486 8.401 76 H TYR 956 H TYR 956 -4.781 8.370 5.656 77 HA TYR 956 HA TYR 956 -5.549 8.165 2.958 78 HB2 TYR 956 2HB TYR 956 -6.402 9.957 4.343 79 HB3 TYR 956 1HB TYR 956 -4.775 10.581 4.615 80 HD1 TYR 956 HD1 TYR 956 -7.468 10.146 2.106 81 HD2 TYR 956 HD2 TYR 956 -3.616 11.859 2.932 82 HE1 TYR 956 HE1 TYR 956 -7.633 11.517 0.045 83 HE2 TYR 956 HE2 TYR 956 -3.785 13.229 0.875 84 HH TYR 956 HH TYR 956 -5.683 14.146 -0.567 85 H ASP 957 H ASP 957 -2.552 9.276 4.479 86 HA ASP 957 HA ASP 957 -1.242 10.118 2.120 87 HB2 ASP 957 2HB ASP 957 -0.477 10.725 4.382 88 HB3 ASP 957 1HB ASP 957 -0.043 9.043 4.683 89 H GLU 958 H GLU 958 -1.414 6.999 3.777 90 HA GLU 958 HA GLU 958 0.502 5.658 2.174 91 HB2 GLU 958 2HB GLU 958 -0.302 4.831 4.374 92 HB3 GLU 958 1HB GLU 958 -1.866 4.473 3.640 93 HG2 GLU 958 2HG GLU 958 -0.787 2.931 2.057 94 HG3 GLU 958 1HG GLU 958 0.788 3.318 2.741 95 H TRP 959 H TRP 959 -3.012 6.071 1.880 96 HA TRP 959 HA TRP 959 -3.325 4.313 -0.329 97 HB2 TRP 959 2HB TRP 959 -5.266 4.894 0.939 98 HB3 TRP 959 1HB TRP 959 -4.981 6.613 0.709 99 HD1 TRP 959 HD TRP 959 -5.391 3.584 -1.684 100 HE1 TRP 959 HE1 TRP 959 -7.011 4.296 -3.565 101 HE3 TRP 959 HE3 TRP 959 -6.319 8.377 -0.252 102 HZ2 TRP 959 HZ2 TRP 959 -8.514 6.612 -4.348 103 HZ3 TRP 959 HZ3 TRP 959 -7.836 9.821 -1.573 104 HH2 TRP 959 HH TRP 959 -8.936 8.947 -3.620 105 H GLN 960 H GLN 960 -2.815 7.857 -0.142 106 HA GLN 960 HA GLN 960 -2.914 8.238 -2.948 107 HB2 GLN 960 2HB GLN 960 -1.550 9.823 -0.761 108 HB3 GLN 960 1HB GLN 960 -1.626 10.354 -2.444 109 HG2 GLN 960 2HG GLN 960 -4.063 9.644 -0.794 110 HG3 GLN 960 1HG GLN 960 -3.460 11.288 -0.978 111 HE21 GLN 960 1HE2 GLN 960 -5.457 8.894 -2.420 112 HE22 GLN 960 2HE2 GLN 960 -5.701 9.672 -3.907 113 H ASP 961 H ASP 961 -0.306 7.455 -0.738 114 HA ASP 961 HA ASP 961 1.824 7.636 -2.588 115 HB2 ASP 961 2HB ASP 961 1.482 6.126 0.001 116 HB3 ASP 961 1HB ASP 961 2.983 6.091 -0.924 117 H ILE 962 H ILE 962 -0.372 4.976 -1.732 118 HA ILE 962 HA ILE 962 1.097 3.011 -3.188 119 HB ILE 962 HB ILE 962 -0.892 2.825 -1.352 120 HG12 ILE 962 2HG1 ILE 962 -0.382 0.774 -3.527 121 HG13 ILE 962 1HG1 ILE 962 0.620 1.001 -2.099 122 HG21 ILE 962 1HG2 ILE 962 -2.600 3.636 -3.000 123 HG22 ILE 962 2HG2 ILE 962 -2.962 2.049 -2.358 124 HG23 ILE 962 3HG2 ILE 962 -2.290 2.221 -3.975 125 HD11 ILE 962 3HD1 ILE 962 -1.640 0.670 -0.796 126 HD12 ILE 962 1HD1 ILE 962 -0.789 -0.739 -1.426 127 HD13 ILE 962 2HD1 ILE 962 -2.171 -0.086 -2.299 128 H ILE 963 H ILE 963 -1.507 5.244 -3.949 129 HA ILE 963 HA ILE 963 -2.169 4.277 -6.503 130 HB ILE 963 HB ILE 963 -2.240 7.047 -5.315 131 HG12 ILE 963 2HG1 ILE 963 -4.429 5.076 -5.977 132 HG13 ILE 963 1HG1 ILE 963 -3.697 5.231 -4.392 133 HG21 ILE 963 1HG2 ILE 963 -2.213 7.597 -7.582 134 HG22 ILE 963 2HG2 ILE 963 -3.935 7.333 -7.335 135 HG23 ILE 963 3HG2 ILE 963 -2.944 6.072 -8.068 136 HD11 ILE 963 3HD1 ILE 963 -4.835 7.140 -3.906 137 HD12 ILE 963 1HD1 ILE 963 -5.920 6.616 -5.191 138 HD13 ILE 963 2HD1 ILE 963 -4.651 7.792 -5.535 139 H ARG 964 H ARG 964 0.283 6.590 -5.414 140 HA ARG 964 HA ARG 964 1.292 7.204 -7.990 141 HB2 ARG 964 2HB ARG 964 1.827 8.513 -5.936 142 HB3 ARG 964 1HB ARG 964 2.813 7.164 -5.368 143 HG2 ARG 964 2HG ARG 964 4.285 7.355 -7.287 144 HG3 ARG 964 1HG ARG 964 3.248 8.590 -8.009 145 HD2 ARG 964 2HD ARG 964 3.667 10.025 -5.992 146 HD3 ARG 964 1HD ARG 964 4.827 8.823 -5.432 147 HE ARG 964 HE ARG 964 6.330 9.620 -7.013 148 HH11 ARG 964 1HH2 ARG 964 3.108 10.651 -7.724 149 HH12 ARG 964 2HH2 ARG 964 3.584 11.745 -8.980 150 HH21 ARG 964 1HH1 ARG 964 6.969 11.054 -8.654 151 HH22 ARG 964 2HH1 ARG 964 5.774 11.961 -9.519 152 H ASP 965 H ASP 965 1.997 4.649 -5.657 153 HA ASP 965 HA ASP 965 4.268 3.543 -6.876 154 HB2 ASP 965 2HB ASP 965 3.326 2.976 -4.596 155 HB3 ASP 965 1HB ASP 965 2.155 1.953 -5.425 156 H TRP 966 H TRP 966 0.800 2.807 -7.464 157 HA TRP 966 HA TRP 966 1.477 0.764 -9.412 158 HB2 TRP 966 2HB TRP 966 -1.224 2.059 -9.040 159 HB3 TRP 966 1HB TRP 966 -0.862 0.513 -9.800 160 HD1 TRP 966 HD TRP 966 -1.744 2.039 -6.569 161 HE1 TRP 966 HE1 TRP 966 -1.691 0.284 -4.701 162 HE3 TRP 966 HE3 TRP 966 0.648 -1.736 -9.017 163 HZ2 TRP 966 HZ2 TRP 966 -0.737 -2.390 -4.289 164 HZ3 TRP 966 HZ3 TRP 966 1.119 -3.878 -7.867 165 HH2 TRP 966 HH TRP 966 0.429 -4.212 -5.507 166 H ARG 967 H ARG 967 1.666 4.052 -9.563 167 HA ARG 967 HA ARG 967 1.743 5.578 -11.275 168 HB2 ARG 967 2HB ARG 967 2.273 2.990 -12.737 169 HB3 ARG 967 1HB ARG 967 2.207 4.526 -13.593 170 HG2 ARG 967 2HG ARG 967 4.511 4.160 -13.055 171 HG3 ARG 967 1HG ARG 967 3.941 5.398 -11.940 172 HD2 ARG 967 2HD ARG 967 3.711 3.795 -10.162 173 HD3 ARG 967 1HD ARG 967 4.000 2.450 -11.260 174 HE ARG 967 HE ARG 967 6.281 2.879 -11.101 175 HH11 ARG 967 1HH2 ARG 967 4.430 5.537 -9.874 176 HH12 ARG 967 2HH2 ARG 967 5.795 6.339 -9.173 177 HH21 ARG 967 1HH1 ARG 967 8.062 3.907 -10.164 178 HH22 ARG 967 2HH1 ARG 967 7.856 5.414 -9.335 179 H LYS 968 H LYS 968 -0.850 3.971 -10.594 180 HA LYS 968 HA LYS 968 -2.456 5.296 -12.645 181 HB2 LYS 968 2HB LYS 968 -3.745 3.359 -13.239 182 HB3 LYS 968 1HB LYS 968 -2.047 2.962 -13.489 183 HG2 LYS 968 2HG LYS 968 -2.021 1.881 -11.233 184 HG3 LYS 968 1HG LYS 968 -3.758 2.161 -11.117 185 HD2 LYS 968 2HD LYS 968 -4.098 0.868 -13.200 186 HD3 LYS 968 1HD LYS 968 -2.365 0.552 -13.273 187 HE2 LYS 968 2HE LYS 968 -2.471 -0.605 -11.101 188 HE3 LYS 968 1HE LYS 968 -4.201 -0.277 -11.005 189 HZ1 LYS 968 3HZ LYS 968 -4.680 -1.823 -12.555 190 HZ2 LYS 968 1HZ LYS 968 -3.233 -2.515 -12.004 191 HZ3 LYS 968 2HZ LYS 968 -3.241 -1.584 -13.426 192 H GLU 969 H GLU 969 -4.690 5.532 -12.027 193 HA GLU 969 HA GLU 969 -4.948 5.962 -9.195 194 HB2 GLU 969 2HB GLU 969 -7.196 6.833 -9.786 195 HB3 GLU 969 1HB GLU 969 -5.894 7.585 -10.708 196 HG2 GLU 969 2HG GLU 969 -6.361 6.143 -12.618 197 HG3 GLU 969 1HG GLU 969 -7.590 5.273 -11.698 198 H MET 970 H MET 970 -6.406 5.082 -7.777 199 HA MET 970 HA MET 970 -8.151 2.905 -8.554 200 HB2 MET 970 2HB MET 970 -7.136 1.432 -6.679 201 HB3 MET 970 1HB MET 970 -6.310 1.473 -8.233 202 HG2 MET 970 2HG MET 970 -4.777 3.216 -7.344 203 HG3 MET 970 1HG MET 970 -5.575 3.076 -5.776 204 HE1 MET 970 3HE MET 970 -5.834 0.670 -4.527 205 HE2 MET 970 1HE MET 970 -4.620 1.847 -4.009 206 HE3 MET 970 2HE MET 970 -4.214 0.134 -4.093 207 H THR 971 H THR 971 -9.609 2.328 -6.787 208 HA THR 971 HA THR 971 -10.225 4.652 -5.173 209 HB THR 971 HB THR 971 -12.179 3.235 -4.451 210 HG1 THR 971 HG1 THR 971 -12.327 1.364 -6.034 211 HG21 THR 971 3HG2 THR 971 -11.560 3.794 -7.348 212 HG22 THR 971 1HG2 THR 971 -12.650 4.663 -6.265 213 HG23 THR 971 2HG2 THR 971 -13.097 3.071 -6.878 214 H VAL 972 H VAL 972 -10.778 4.452 -2.884 215 HA VAL 972 HA VAL 972 -8.632 3.429 -1.323 216 HB VAL 972 HB VAL 972 -11.342 4.604 -0.687 217 HG11 VAL 972 1HG1 VAL 972 -9.418 3.200 1.133 218 HG12 VAL 972 2HG1 VAL 972 -11.165 3.380 1.274 219 HG13 VAL 972 3HG1 VAL 972 -10.107 4.714 1.721 220 HG21 VAL 972 3HG2 VAL 972 -9.581 6.098 -1.537 221 HG22 VAL 972 1HG2 VAL 972 -8.493 5.546 -0.267 222 HG23 VAL 972 2HG2 VAL 972 -9.938 6.462 0.152 223 H GLN 973 H GLN 973 -11.980 2.369 -1.885 224 HA GLN 973 HA GLN 973 -12.113 0.282 -0.066 225 HB2 GLN 973 2HB GLN 973 -13.994 1.127 -1.501 226 HB3 GLN 973 1HB GLN 973 -13.288 0.243 -2.856 227 HG2 GLN 973 2HG GLN 973 -13.542 -1.867 -1.686 228 HG3 GLN 973 1HG GLN 973 -14.080 -1.037 -0.227 229 HE21 GLN 973 1HE2 GLN 973 -15.021 -0.747 -3.711 230 HE22 GLN 973 2HE2 GLN 973 -16.684 -0.917 -3.412 231 H GLN 974 H GLN 974 -10.713 0.343 -3.330 232 HA GLN 974 HA GLN 974 -10.156 -2.402 -3.573 233 HB2 GLN 974 2HB GLN 974 -9.104 0.124 -4.787 234 HB3 GLN 974 1HB GLN 974 -8.156 -1.340 -5.014 235 HG2 GLN 974 2HG GLN 974 -9.816 -0.890 -6.835 236 HG3 GLN 974 1HG GLN 974 -10.000 -2.464 -6.071 237 HE21 GLN 974 1HE2 GLN 974 -11.896 -0.254 -7.379 238 HE22 GLN 974 2HE2 GLN 974 -13.219 -0.260 -6.316 239 H PHE 975 H PHE 975 -8.307 0.254 -2.092 240 HA PHE 975 HA PHE 975 -5.966 -1.220 -1.523 241 HB2 PHE 975 2HB PHE 975 -5.924 1.186 -1.305 242 HB3 PHE 975 1HB PHE 975 -7.191 1.144 -0.081 243 HD1 PHE 975 HD1 PHE 975 -3.865 -0.465 -0.742 244 HD2 PHE 975 HD2 PHE 975 -6.509 1.284 2.158 245 HE1 PHE 975 HE1 PHE 975 -2.153 -0.796 1.018 246 HE2 PHE 975 HE2 PHE 975 -4.792 0.959 3.917 247 HZ PHE 975 HZ PHE 975 -2.614 -0.084 3.346 248 H LEU 976 H LEU 976 -8.908 -0.650 0.391 249 HA LEU 976 HA LEU 976 -8.096 -2.102 2.675 250 HB2 LEU 976 2HB LEU 976 -10.754 -1.259 1.550 251 HB3 LEU 976 1HB LEU 976 -10.711 -2.350 2.929 252 HG LEU 976 HG LEU 976 -9.146 -0.602 4.028 253 HD11 LEU 976 1HD1 LEU 976 -9.351 1.672 3.194 254 HD12 LEU 976 2HD1 LEU 976 -10.411 1.139 1.890 255 HD13 LEU 976 3HD1 LEU 976 -8.722 0.650 1.907 256 HD21 LEU 976 3HD2 LEU 976 -11.135 0.828 4.651 257 HD22 LEU 976 1HD2 LEU 976 -11.406 -0.906 4.817 258 HD23 LEU 976 2HD2 LEU 976 -12.063 -0.040 3.428 259 H ASP 977 H ASP 977 -9.805 -3.091 -0.264 260 HA ASP 977 HA ASP 977 -10.305 -5.762 0.567 261 HB2 ASP 977 2HB ASP 977 -11.519 -4.749 -1.293 262 HB3 ASP 977 1HB ASP 977 -10.021 -4.587 -2.210 263 H LEU 978 H LEU 978 -7.675 -4.199 -1.186 264 HA LEU 978 HA LEU 978 -6.236 -6.515 -1.887 265 HB2 LEU 978 2HB LEU 978 -5.834 -4.433 -3.015 266 HB3 LEU 978 1HB LEU 978 -5.382 -3.646 -1.507 267 HG LEU 978 HG LEU 978 -3.387 -5.041 -1.316 268 HD11 LEU 978 1HD1 LEU 978 -2.843 -6.530 -3.344 269 HD12 LEU 978 2HD1 LEU 978 -4.557 -6.419 -3.740 270 HD13 LEU 978 3HD1 LEU 978 -4.045 -7.144 -2.215 271 HD21 LEU 978 3HD2 LEU 978 -2.989 -3.077 -2.581 272 HD22 LEU 978 1HD2 LEU 978 -3.855 -3.702 -3.983 273 HD23 LEU 978 2HD2 LEU 978 -2.283 -4.372 -3.548 274 H LYS 979 H LYS 979 -5.889 -4.310 0.911 275 HA LYS 979 HA LYS 979 -3.667 -5.751 1.982 276 HB2 LYS 979 2HB LYS 979 -3.714 -4.181 3.700 277 HB3 LYS 979 1HB LYS 979 -4.532 -3.283 2.423 278 HG2 LYS 979 2HG LYS 979 -6.715 -4.099 3.356 279 HG3 LYS 979 1HG LYS 979 -5.824 -4.774 4.707 280 HD2 LYS 979 2HD LYS 979 -4.836 -2.397 4.986 281 HD3 LYS 979 1HD LYS 979 -6.168 -1.884 3.946 282 HE2 LYS 979 2HE LYS 979 -7.101 -1.668 6.096 283 HE3 LYS 979 1HE LYS 979 -7.652 -3.277 5.613 284 HZ1 LYS 979 3HZ LYS 979 -6.746 -3.822 7.587 285 HZ2 LYS 979 1HZ LYS 979 -5.668 -2.513 7.600 286 HZ3 LYS 979 2HZ LYS 979 -5.316 -3.892 6.672 287 H GLU 980 H GLU 980 -7.175 -5.802 2.545 288 HA GLU 980 HA GLU 980 -7.231 -7.533 4.732 289 HB2 GLU 980 2HB GLU 980 -9.208 -6.370 3.782 290 HB3 GLU 980 1HB GLU 980 -9.160 -7.456 2.396 291 HG2 GLU 980 2HG GLU 980 -9.480 -9.390 3.899 292 HG3 GLU 980 1HG GLU 980 -9.528 -8.299 5.285 293 H ARG 981 H ARG 981 -7.296 -8.280 1.260 294 HA ARG 981 HA ARG 981 -7.251 -11.092 1.534 295 HB2 ARG 981 2HB ARG 981 -6.460 -9.237 -0.709 296 HB3 ARG 981 1HB ARG 981 -6.403 -10.991 -0.865 297 HG2 ARG 981 2HG ARG 981 -8.785 -11.151 -0.338 298 HG3 ARG 981 1HG ARG 981 -8.869 -9.406 -0.088 299 HD2 ARG 981 2HD ARG 981 -8.271 -9.013 -2.426 300 HD3 ARG 981 1HD ARG 981 -8.078 -10.743 -2.691 301 HE ARG 981 HE ARG 981 -10.663 -10.401 -1.741 302 HH11 ARG 981 1HH2 ARG 981 -8.722 -9.310 -4.388 303 HH12 ARG 981 2HH2 ARG 981 -10.053 -9.158 -5.484 304 HH21 ARG 981 1HH1 ARG 981 -12.418 -10.212 -3.176 305 HH22 ARG 981 2HH1 ARG 981 -12.144 -9.683 -4.803 306 H ALA 982 H ALA 982 -4.618 -8.727 1.075 307 HA ALA 982 HA ALA 982 -2.559 -10.662 0.889 308 HB1 ALA 982 3HB ALA 982 -1.913 -7.962 1.995 309 HB2 ALA 982 1HB ALA 982 -2.643 -8.027 0.398 310 HB3 ALA 982 2HB ALA 982 -1.129 -8.857 0.711 311 H LEU 983 H LEU 983 -3.876 -8.866 3.621 312 HA LEU 983 HA LEU 983 -2.039 -9.885 5.540 313 HB2 LEU 983 2HB LEU 983 -4.608 -8.314 5.656 314 HB3 LEU 983 1HB LEU 983 -4.079 -9.140 7.117 315 HG LEU 983 HG LEU 983 -1.848 -8.015 6.869 316 HD11 LEU 983 1HD1 LEU 983 -2.583 -7.426 4.309 317 HD12 LEU 983 2HD1 LEU 983 -1.341 -6.599 5.194 318 HD13 LEU 983 3HD1 LEU 983 -2.953 -5.906 5.107 319 HD21 LEU 983 3HD2 LEU 983 -3.297 -7.074 8.476 320 HD22 LEU 983 1HD2 LEU 983 -4.387 -6.433 7.247 321 HD23 LEU 983 2HD2 LEU 983 -2.803 -5.700 7.487 322 H SER 984 H SER 984 -4.900 -10.996 4.033 323 HA SER 984 HA SER 984 -5.533 -13.036 5.985 324 HB2 SER 984 2HB SER 984 -7.267 -12.044 4.516 325 HB3 SER 984 1HB SER 984 -6.460 -12.747 3.117 326 HG SER 984 HG SER 984 -8.279 -13.929 4.263 327 H GLY 985 H GLY 985 -3.082 -12.683 3.787 328 HA2 GLY 985 2HA GLY 985 -1.354 -14.239 3.439 329 HA3 GLY 985 1HA GLY 985 -2.448 -15.541 3.883 330 H ALA 986 H ALA 986 -3.371 -13.092 1.554 331 HA ALA 986 HA ALA 986 -4.010 -15.031 -0.426 332 HB1 ALA 986 3HB ALA 986 -3.648 -12.045 -0.733 333 HB2 ALA 986 1HB ALA 986 -5.141 -12.873 -0.322 334 HB3 ALA 986 2HB ALA 986 -4.420 -13.120 -1.900 335 H SER 987 H SER 987 -3.066 -15.398 -2.453 336 HA SER 987 HA SER 987 -0.156 -14.910 -2.495 337 HB2 SER 987 2HB SER 987 -0.683 -17.257 -2.525 338 HB3 SER 987 1HB SER 987 -1.853 -17.033 -3.824 339 HG SER 987 HG SER 987 -0.194 -17.413 -5.061 340 H ASP 988 H ASP 988 -2.889 -13.601 -3.735 341 HA ASP 988 HA ASP 988 -2.579 -13.376 -6.464 342 HB2 ASP 988 2HB ASP 988 -3.489 -11.361 -4.409 343 HB3 ASP 988 1HB ASP 988 -3.541 -11.021 -6.137 344 HA PRO 989 HA PRO 989 1.330 -11.391 -7.074 345 HB2 PRO 989 2HB PRO 989 0.731 -9.671 -9.192 346 HB3 PRO 989 1HB PRO 989 1.091 -11.398 -9.364 347 HG2 PRO 989 2HG PRO 989 -1.554 -10.020 -9.295 348 HG3 PRO 989 1HG PRO 989 -1.017 -11.380 -10.297 349 HD2 PRO 989 2HD PRO 989 -2.594 -11.763 -8.139 350 HD3 PRO 989 1HD PRO 989 -1.344 -12.945 -8.593 351 H ASP 990 H ASP 990 -1.529 -9.344 -6.899 352 HA ASP 990 HA ASP 990 -0.142 -6.925 -6.255 353 HB2 ASP 990 2HB ASP 990 -3.025 -7.761 -5.871 354 HB3 ASP 990 1HB ASP 990 -2.415 -6.132 -5.584 355 H SER 991 H SER 991 -1.325 -9.656 -4.413 356 HA SER 991 HA SER 991 -1.321 -8.361 -1.866 357 HB2 SER 991 2HB SER 991 -2.620 -10.288 -1.888 358 HB3 SER 991 1HB SER 991 -1.427 -11.207 -2.805 359 HG SER 991 HG SER 991 -0.082 -11.081 -0.915 360 H GLN 992 H GLN 992 0.976 -10.639 -3.391 361 HA GLN 992 HA GLN 992 2.878 -10.413 -1.289 362 HB2 GLN 992 2HB GLN 992 4.447 -11.241 -3.298 363 HB3 GLN 992 1HB GLN 992 3.292 -12.320 -2.517 364 HG2 GLN 992 2HG GLN 992 1.735 -12.134 -4.257 365 HG3 GLN 992 1HG GLN 992 2.476 -10.677 -4.905 366 HE21 GLN 992 1HE2 GLN 992 1.947 -13.334 -6.252 367 HE22 GLN 992 2HE2 GLN 992 3.458 -13.843 -6.831 368 H ARG 993 H ARG 993 2.418 -8.726 -4.363 369 HA ARG 993 HA ARG 993 4.816 -7.212 -4.255 370 HB2 ARG 993 2HB ARG 993 2.169 -6.740 -5.635 371 HB3 ARG 993 1HB ARG 993 3.556 -5.665 -5.822 372 HG2 ARG 993 2HG ARG 993 3.982 -8.614 -6.234 373 HG3 ARG 993 1HG ARG 993 3.170 -7.706 -7.507 374 HD2 ARG 993 2HD ARG 993 5.872 -7.003 -6.316 375 HD3 ARG 993 1HD ARG 993 5.621 -7.812 -7.862 376 HE ARG 993 HE ARG 993 4.151 -5.385 -7.796 377 HH11 ARG 993 1HH2 ARG 993 7.372 -6.654 -8.032 378 HH12 ARG 993 2HH2 ARG 993 7.991 -5.271 -8.873 379 HH21 ARG 993 1HH1 ARG 993 4.967 -3.579 -8.876 380 HH22 ARG 993 2HH1 ARG 993 6.636 -3.527 -9.339 381 H TYR 994 H TYR 994 1.540 -6.663 -3.009 382 HA TYR 994 HA TYR 994 1.946 -4.008 -2.118 383 HB2 TYR 994 2HB TYR 994 -0.312 -4.723 -2.178 384 HB3 TYR 994 1HB TYR 994 0.042 -6.194 -1.273 385 HD1 TYR 994 HD1 TYR 994 0.625 -2.502 -0.824 386 HD2 TYR 994 HD2 TYR 994 -0.723 -6.177 0.946 387 HE1 TYR 994 HE1 TYR 994 0.188 -1.317 1.313 388 HE2 TYR 994 HE2 TYR 994 -1.165 -4.985 3.078 389 HH TYR 994 HH TYR 994 -0.142 -1.686 3.582 390 H ASN 995 H ASN 995 2.196 -7.130 -0.401 391 HA ASN 995 HA ASN 995 3.025 -6.093 2.058 392 HB2 ASN 995 2HB ASN 995 3.497 -8.735 0.680 393 HB3 ASN 995 1HB ASN 995 4.208 -8.397 2.257 394 HD21 ASN 995 1HD2 ASN 995 0.980 -7.433 0.990 395 HD22 ASN 995 2HD2 ASN 995 0.104 -8.233 2.204 396 H ALA 996 H ALA 996 4.888 -6.954 -0.845 397 HA ALA 996 HA ALA 996 7.446 -6.492 0.302 398 HB1 ALA 996 3HB ALA 996 6.746 -6.065 -2.585 399 HB2 ALA 996 1HB ALA 996 6.945 -7.677 -1.911 400 HB3 ALA 996 2HB ALA 996 8.294 -6.529 -1.911 401 H TRP 997 H TRP 997 5.275 -4.448 -1.637 402 HA TRP 997 HA TRP 997 6.900 -2.198 -1.775 403 HB2 TRP 997 2HB TRP 997 4.884 -2.352 -3.111 404 HB3 TRP 997 1HB TRP 997 3.879 -2.420 -1.664 405 HD1 TRP 997 HD TRP 997 6.067 -0.016 -3.688 406 HE1 TRP 997 HE1 TRP 997 5.447 2.402 -3.042 407 HE3 TRP 997 HE3 TRP 997 2.840 -0.928 0.164 408 HZ2 TRP 997 HZ2 TRP 997 3.798 3.769 -1.148 409 HZ3 TRP 997 HZ3 TRP 997 1.757 0.950 1.367 410 HH2 TRP 997 HH TRP 997 2.230 3.294 0.714 411 H LEU 998 H LEU 998 4.621 -3.280 0.674 412 HA LEU 998 HA LEU 998 4.788 -1.021 2.359 413 HB2 LEU 998 2HB LEU 998 3.006 -2.769 2.469 414 HB3 LEU 998 1HB LEU 998 4.192 -3.919 3.037 415 HG LEU 998 HG LEU 998 2.587 -2.694 4.742 416 HD11 LEU 998 1HD1 LEU 998 4.199 -2.989 6.501 417 HD12 LEU 998 2HD1 LEU 998 5.538 -2.896 5.365 418 HD13 LEU 998 3HD1 LEU 998 4.431 -4.268 5.315 419 HD21 LEU 998 3HD2 LEU 998 3.239 -0.402 3.983 420 HD22 LEU 998 1HD2 LEU 998 4.860 -0.715 4.593 421 HD23 LEU 998 2HD2 LEU 998 3.503 -0.673 5.705 422 H GLU 999 H GLU 999 6.593 -4.031 2.064 423 HA GLU 999 HA GLU 999 8.275 -3.733 4.319 424 HB2 GLU 999 2HB GLU 999 7.992 -5.852 3.034 425 HB3 GLU 999 1HB GLU 999 8.899 -5.142 1.699 426 HG2 GLU 999 2HG GLU 999 10.845 -4.832 3.169 427 HG3 GLU 999 1HG GLU 999 9.936 -5.491 4.527 428 H LEU1000 H LEU1000 8.596 -2.682 0.939 429 HA LEU1000 HA LEU1000 11.203 -1.617 1.104 430 HB2 LEU1000 2HB LEU1000 8.852 -0.700 -0.585 431 HB3 LEU1000 1HB LEU1000 10.520 -0.186 -0.824 432 HG LEU1000 HG LEU1000 9.431 -3.000 -1.118 433 HD11 LEU1000 1HD1 LEU1000 9.031 -1.256 -2.936 434 HD12 LEU1000 2HD1 LEU1000 9.849 -2.734 -3.442 435 HD13 LEU1000 3HD1 LEU1000 10.777 -1.258 -3.179 436 HD21 LEU1000 3HD2 LEU1000 12.244 -1.934 -1.037 437 HD22 LEU1000 1HD2 LEU1000 11.866 -3.335 -2.040 438 HD23 LEU1000 2HD2 LEU1000 11.590 -3.399 -0.303 439 H ARG1001 H ARG1001 8.010 -0.255 1.756 440 HA ARG1001 HA ARG1001 8.843 2.365 2.300 441 HB2 ARG1001 2HB ARG1001 6.571 2.169 2.030 442 HB3 ARG1001 1HB ARG1001 6.453 0.725 3.022 443 HG2 ARG1001 2HG ARG1001 6.750 2.021 5.047 444 HG3 ARG1001 1HG ARG1001 7.106 3.474 4.117 445 HD2 ARG1001 2HD ARG1001 4.807 3.330 3.132 446 HD3 ARG1001 1HD ARG1001 4.486 1.952 4.178 447 HE ARG1001 HE ARG1001 4.493 4.725 4.953 448 HH11 ARG1001 1HH2 ARG1001 5.064 1.466 5.976 449 HH12 ARG1001 2HH2 ARG1001 4.706 1.783 7.641 450 HH21 ARG1001 1HH1 ARG1001 4.038 5.146 7.138 451 HH22 ARG1001 2HH1 ARG1001 4.127 3.863 8.299 452 H ALA1002 H ALA1002 8.539 -0.460 4.402 453 HA ALA1002 HA ALA1002 9.096 0.835 6.811 454 HB1 ALA1002 3HB ALA1002 8.318 -1.527 6.613 455 HB2 ALA1002 1HB ALA1002 9.722 -1.357 7.667 456 HB3 ALA1002 2HB ALA1002 9.920 -1.976 6.027 457 H LYS1003 H LYS1003 11.130 -0.309 4.207 458 HA LYS1003 HA LYS1003 13.614 0.056 5.591 459 HB2 LYS1003 2HB LYS1003 13.034 -0.099 2.627 460 HB3 LYS1003 1HB LYS1003 14.643 -0.076 3.332 461 HG2 LYS1003 2HG LYS1003 14.065 -2.102 4.651 462 HG3 LYS1003 1HG LYS1003 12.500 -2.146 3.852 463 HD2 LYS1003 2HD LYS1003 13.558 -2.393 1.670 464 HD3 LYS1003 1HD LYS1003 15.158 -2.259 2.402 465 HE2 LYS1003 2HE LYS1003 14.779 -4.314 3.674 466 HE3 LYS1003 1HE LYS1003 13.141 -4.436 3.033 467 HZ1 LYS1003 3HZ LYS1003 13.942 -4.841 0.889 468 HZ2 LYS1003 1HZ LYS1003 14.928 -5.791 1.888 469 HZ3 LYS1003 2HZ LYS1003 15.514 -4.322 1.271 470 H ARG1004 H ARG1004 11.663 2.107 3.445 471 HA ARG1004 HA ARG1004 13.415 4.179 2.930 472 HB2 ARG1004 2HB ARG1004 10.461 4.394 3.571 473 HB3 ARG1004 1HB ARG1004 11.425 5.671 2.832 474 HG2 ARG1004 2HG ARG1004 11.948 4.157 0.941 475 HG3 ARG1004 1HG ARG1004 10.957 2.917 1.672 476 HD2 ARG1004 2HD ARG1004 9.018 4.533 1.594 477 HD3 ARG1004 1HD ARG1004 10.047 5.624 0.677 478 HE ARG1004 HE ARG1004 10.062 3.095 -0.577 479 HH11 ARG1004 1HH2 ARG1004 7.987 5.783 0.094 480 HH12 ARG1004 2HH2 ARG1004 6.996 5.542 -1.305 481 HH21 ARG1004 1HH1 ARG1004 8.757 2.773 -2.415 482 HH22 ARG1004 2HH1 ARG1004 7.435 3.848 -2.725 483 H LEU1005 H LEU1005 11.014 5.570 4.853 484 HA LEU1005 HA LEU1005 11.289 7.141 6.548 485 HB2 LEU1005 2HB LEU1005 12.189 4.531 7.785 486 HB3 LEU1005 1HB LEU1005 11.768 5.968 8.712 487 HG LEU1005 HG LEU1005 9.879 4.709 6.706 488 HD11 LEU1005 1HD1 LEU1005 8.757 3.738 8.762 489 HD12 LEU1005 2HD1 LEU1005 10.218 4.141 9.661 490 HD13 LEU1005 3HD1 LEU1005 10.293 2.992 8.323 491 HD21 LEU1005 3HD2 LEU1005 9.616 6.772 8.908 492 HD22 LEU1005 1HD2 LEU1005 8.213 5.881 8.325 493 HD23 LEU1005 2HD2 LEU1005 9.124 6.901 7.221 494 H SER1006 H SER1006 13.590 7.040 4.799 495 HA SER1006 HA SER1006 15.808 7.675 4.709 496 HB2 SER1006 2HB SER1006 15.112 9.137 7.262 497 HB3 SER1006 1HB SER1006 16.363 9.561 6.098 498 HG SER1006 HG SER1006 14.443 10.784 5.816 Start of MODEL 15 1 HA2 GLY 945 2HA GLY 945 -20.909 13.979 5.239 2 HA3 GLY 945 1HA GLY 945 -22.341 13.275 5.989 3 H ALA 946 H ALA 946 -22.091 11.866 7.637 4 HA ALA 946 HA ALA 946 -19.576 11.558 8.892 5 HB1 ALA 946 3HB ALA 946 -21.677 11.473 10.147 6 HB2 ALA 946 1HB ALA 946 -20.759 9.987 10.389 7 HB3 ALA 946 2HB ALA 946 -22.141 10.001 9.295 8 H MET 947 H MET 947 -21.446 9.490 6.736 9 HA MET 947 HA MET 947 -19.602 7.262 6.979 10 HB2 MET 947 2HB MET 947 -21.037 6.505 4.892 11 HB3 MET 947 1HB MET 947 -21.745 6.496 6.506 12 HG2 MET 947 2HG MET 947 -22.930 8.509 6.128 13 HG3 MET 947 1HG MET 947 -21.948 8.923 4.725 14 HE1 MET 947 3HE MET 947 -25.253 5.743 5.013 15 HE2 MET 947 1HE MET 947 -24.685 6.836 6.283 16 HE3 MET 947 2HE MET 947 -23.690 5.474 5.775 17 H ALA 948 H ALA 948 -18.937 10.098 5.883 18 HA ALA 948 HA ALA 948 -18.317 10.124 3.212 19 HB1 ALA 948 3HB ALA 948 -16.184 11.423 4.040 20 HB2 ALA 948 1HB ALA 948 -16.928 11.242 5.630 21 HB3 ALA 948 2HB ALA 948 -17.783 12.096 4.348 22 H ILE 949 H ILE 949 -15.526 9.710 5.285 23 HA ILE 949 HA ILE 949 -14.770 7.233 3.837 24 HB ILE 949 HB ILE 949 -12.395 8.105 3.960 25 HG12 ILE 949 2HG1 ILE 949 -13.782 10.762 4.411 26 HG13 ILE 949 1HG1 ILE 949 -12.970 9.864 5.694 27 HG21 ILE 949 1HG2 ILE 949 -12.609 9.390 1.934 28 HG22 ILE 949 2HG2 ILE 949 -14.268 9.841 2.329 29 HG23 ILE 949 3HG2 ILE 949 -13.885 8.172 1.906 30 HD11 ILE 949 3HD1 ILE 949 -11.451 11.544 4.733 31 HD12 ILE 949 1HD1 ILE 949 -11.683 10.846 3.130 32 HD13 ILE 949 2HD1 ILE 949 -10.868 9.915 4.386 33 H ALA 950 H ALA 950 -13.764 5.676 5.029 34 HA ALA 950 HA ALA 950 -13.872 6.009 7.945 35 HB1 ALA 950 3HB ALA 950 -13.520 3.531 7.947 36 HB2 ALA 950 1HB ALA 950 -13.519 3.575 6.184 37 HB3 ALA 950 2HB ALA 950 -14.967 4.041 7.076 38 H LEU 951 H LEU 951 -11.641 6.483 5.568 39 HA LEU 951 HA LEU 951 -9.338 5.292 6.873 40 HB2 LEU 951 2HB LEU 951 -9.809 6.940 4.403 41 HB3 LEU 951 1HB LEU 951 -8.174 6.819 5.046 42 HG LEU 951 HG LEU 951 -8.343 4.351 4.971 43 HD11 LEU 951 1HD1 LEU 951 -10.719 4.033 5.211 44 HD12 LEU 951 2HD1 LEU 951 -10.260 3.403 3.628 45 HD13 LEU 951 3HD1 LEU 951 -11.044 4.976 3.757 46 HD21 LEU 951 3HD2 LEU 951 -9.069 5.603 2.313 47 HD22 LEU 951 1HD2 LEU 951 -8.089 4.166 2.584 48 HD23 LEU 951 2HD2 LEU 951 -7.477 5.750 3.050 49 H ARG 952 H ARG 952 -8.065 6.221 8.335 50 HA ARG 952 HA ARG 952 -8.731 8.832 9.382 51 HB2 ARG 952 2HB ARG 952 -6.271 7.267 10.153 52 HB3 ARG 952 1HB ARG 952 -7.274 8.323 11.147 53 HG2 ARG 952 2HG ARG 952 -8.059 5.601 10.072 54 HG3 ARG 952 1HG ARG 952 -7.689 5.995 11.748 55 HD2 ARG 952 2HD ARG 952 -9.584 7.656 11.677 56 HD3 ARG 952 1HD ARG 952 -10.007 7.003 10.097 57 HE ARG 952 HE ARG 952 -9.775 4.986 12.151 58 HH11 ARG 952 1HH2 ARG 952 -11.825 7.322 10.615 59 HH12 ARG 952 2HH2 ARG 952 -13.292 6.505 11.043 60 HH21 ARG 952 1HH1 ARG 952 -11.703 3.924 12.711 61 HH22 ARG 952 2HH1 ARG 952 -13.224 4.605 12.241 62 H ASP 953 H ASP 953 -6.710 10.304 9.885 63 HA ASP 953 HA ASP 953 -5.773 11.364 7.468 64 HB2 ASP 953 2HB ASP 953 -4.136 12.595 8.860 65 HB3 ASP 953 1HB ASP 953 -5.753 12.647 9.561 66 H ASP 954 H ASP 954 -4.317 9.083 9.745 67 HA ASP 954 HA ASP 954 -1.828 8.805 8.422 68 HB2 ASP 954 2HB ASP 954 -2.295 8.063 10.762 69 HB3 ASP 954 1HB ASP 954 -3.264 6.742 10.108 70 H GLU 955 H GLU 955 -4.861 6.934 8.225 71 HA GLU 955 HA GLU 955 -3.903 5.019 6.377 72 HB2 GLU 955 2HB GLU 955 -6.751 5.985 6.697 73 HB3 GLU 955 1HB GLU 955 -6.221 4.469 5.976 74 HG2 GLU 955 2HG GLU 955 -5.106 3.982 8.251 75 HG3 GLU 955 1HG GLU 955 -6.086 5.314 8.871 76 H TYR 956 H TYR 956 -5.466 8.148 5.981 77 HA TYR 956 HA TYR 956 -5.980 8.069 3.231 78 HB2 TYR 956 2HB TYR 956 -6.873 9.838 4.637 79 HB3 TYR 956 1HB TYR 956 -5.246 10.398 5.020 80 HD1 TYR 956 HD1 TYR 956 -7.747 10.052 2.291 81 HD2 TYR 956 HD2 TYR 956 -4.002 11.770 3.507 82 HE1 TYR 956 HE1 TYR 956 -7.748 11.493 0.269 83 HE2 TYR 956 HE2 TYR 956 -4.005 13.211 1.490 84 HH TYR 956 HH TYR 956 -6.546 13.921 -0.262 85 H ASP 957 H ASP 957 -3.097 9.056 5.025 86 HA ASP 957 HA ASP 957 -1.590 9.958 2.816 87 HB2 ASP 957 2HB ASP 957 -0.784 8.888 5.521 88 HB3 ASP 957 1HB ASP 957 0.389 9.479 4.345 89 H GLU 958 H GLU 958 -1.907 6.767 4.324 90 HA GLU 958 HA GLU 958 0.117 5.496 2.802 91 HB2 GLU 958 2HB GLU 958 -2.149 4.605 4.539 92 HB3 GLU 958 1HB GLU 958 -1.458 3.408 3.446 93 HG2 GLU 958 2HG GLU 958 -0.310 3.302 5.592 94 HG3 GLU 958 1HG GLU 958 0.802 3.912 4.370 95 H TRP 959 H TRP 959 -3.403 5.845 2.280 96 HA TRP 959 HA TRP 959 -3.489 4.179 -0.008 97 HB2 TRP 959 2HB TRP 959 -5.561 4.692 1.049 98 HB3 TRP 959 1HB TRP 959 -5.265 6.422 0.963 99 HD1 TRP 959 HD TRP 959 -5.214 3.661 -1.767 100 HE1 TRP 959 HE1 TRP 959 -6.695 4.480 -3.717 101 HE3 TRP 959 HE3 TRP 959 -6.770 8.109 0.150 102 HZ2 TRP 959 HZ2 TRP 959 -8.333 6.745 -4.366 103 HZ3 TRP 959 HZ3 TRP 959 -8.286 9.586 -1.141 104 HH2 TRP 959 HH TRP 959 -9.069 8.911 -3.398 105 H GLN 960 H GLN 960 -3.219 7.747 0.288 106 HA GLN 960 HA GLN 960 -2.986 8.288 -2.449 107 HB2 GLN 960 2HB GLN 960 -1.745 9.698 -0.075 108 HB3 GLN 960 1HB GLN 960 -1.762 10.350 -1.712 109 HG2 GLN 960 2HG GLN 960 -4.256 9.533 -0.201 110 HG3 GLN 960 1HG GLN 960 -3.648 11.187 -0.262 111 HE21 GLN 960 1HE2 GLN 960 -5.826 9.133 -1.752 112 HE22 GLN 960 2HE2 GLN 960 -5.919 9.887 -3.268 113 H ASP 961 H ASP 961 -0.557 7.341 -0.077 114 HA ASP 961 HA ASP 961 1.707 7.637 -1.750 115 HB2 ASP 961 2HB ASP 961 1.103 6.110 0.769 116 HB3 ASP 961 1HB ASP 961 2.615 5.801 -0.076 117 H ILE 962 H ILE 962 -0.611 4.985 -1.300 118 HA ILE 962 HA ILE 962 0.921 3.047 -2.689 119 HB ILE 962 HB ILE 962 -1.414 2.964 -1.237 120 HG12 ILE 962 2HG1 ILE 962 -0.459 0.915 -3.261 121 HG13 ILE 962 1HG1 ILE 962 0.141 1.093 -1.623 122 HG21 ILE 962 1HG2 ILE 962 -2.732 3.848 -3.168 123 HG22 ILE 962 2HG2 ILE 962 -3.247 2.244 -2.701 124 HG23 ILE 962 3HG2 ILE 962 -2.235 2.474 -4.121 125 HD11 ILE 962 3HD1 ILE 962 -2.120 0.609 -0.749 126 HD12 ILE 962 1HD1 ILE 962 -1.497 -0.724 -1.718 127 HD13 ILE 962 2HD1 ILE 962 -2.702 0.368 -2.395 128 H ILE 963 H ILE 963 -1.473 5.445 -3.685 129 HA ILE 963 HA ILE 963 -1.704 4.700 -6.402 130 HB ILE 963 HB ILE 963 -1.831 7.483 -5.230 131 HG12 ILE 963 2HG1 ILE 963 -3.988 5.414 -5.592 132 HG13 ILE 963 1HG1 ILE 963 -3.304 5.910 -4.063 133 HG21 ILE 963 1HG2 ILE 963 -1.725 7.291 -7.749 134 HG22 ILE 963 2HG2 ILE 963 -3.207 8.021 -7.147 135 HG23 ILE 963 3HG2 ILE 963 -3.206 6.339 -7.674 136 HD11 ILE 963 3HD1 ILE 963 -5.344 7.147 -4.324 137 HD12 ILE 963 1HD1 ILE 963 -4.913 7.610 -5.970 138 HD13 ILE 963 2HD1 ILE 963 -4.018 8.274 -4.604 139 H ARG 964 H ARG 964 0.509 6.880 -4.708 140 HA ARG 964 HA ARG 964 1.934 7.826 -6.935 141 HB2 ARG 964 2HB ARG 964 2.184 8.784 -4.690 142 HB3 ARG 964 1HB ARG 964 2.916 7.285 -4.118 143 HG2 ARG 964 2HG ARG 964 4.807 7.572 -5.612 144 HG3 ARG 964 1HG ARG 964 4.045 8.972 -6.371 145 HD2 ARG 964 2HD ARG 964 4.747 8.830 -3.430 146 HD3 ARG 964 1HD ARG 964 5.788 9.562 -4.648 147 HE ARG 964 HE ARG 964 3.408 10.831 -5.025 148 HH11 ARG 964 1HH2 ARG 964 5.372 10.156 -2.258 149 HH12 ARG 964 2HH2 ARG 964 4.972 11.629 -1.439 150 HH21 ARG 964 1HH1 ARG 964 2.893 12.775 -3.968 151 HH22 ARG 964 2HH1 ARG 964 3.567 13.110 -2.407 152 H ASP 965 H ASP 965 2.325 4.923 -4.953 153 HA ASP 965 HA ASP 965 4.718 3.996 -6.118 154 HB2 ASP 965 2HB ASP 965 3.893 3.140 -3.996 155 HB3 ASP 965 1HB ASP 965 2.487 2.443 -4.797 156 H TRP 966 H TRP 966 1.295 3.220 -6.957 157 HA TRP 966 HA TRP 966 2.168 1.486 -9.120 158 HB2 TRP 966 2HB TRP 966 -0.625 2.567 -8.798 159 HB3 TRP 966 1HB TRP 966 -0.105 1.067 -9.557 160 HD1 TRP 966 HD TRP 966 -1.735 2.200 -6.609 161 HE1 TRP 966 HE1 TRP 966 -1.541 0.518 -4.679 162 HE3 TRP 966 HE3 TRP 966 2.065 -0.727 -8.370 163 HZ2 TRP 966 HZ2 TRP 966 0.021 -1.761 -3.958 164 HZ3 TRP 966 HZ3 TRP 966 2.885 -2.649 -7.033 165 HH2 TRP 966 HH TRP 966 1.868 -3.169 -4.830 166 H ARG 967 H ARG 967 2.002 4.786 -8.763 167 HA ARG 967 HA ARG 967 1.937 6.570 -10.200 168 HB2 ARG 967 2HB ARG 967 3.058 4.446 -12.038 169 HB3 ARG 967 1HB ARG 967 3.052 6.175 -12.396 170 HG2 ARG 967 2HG ARG 967 4.368 6.627 -10.381 171 HG3 ARG 967 1HG ARG 967 4.331 4.918 -9.949 172 HD2 ARG 967 2HD ARG 967 6.457 5.410 -11.018 173 HD3 ARG 967 1HD ARG 967 5.501 4.392 -12.091 174 HE ARG 967 HE ARG 967 5.298 6.198 -13.572 175 HH11 ARG 967 1HH2 ARG 967 6.675 7.152 -10.544 176 HH12 ARG 967 2HH2 ARG 967 7.180 8.711 -11.108 177 HH21 ARG 967 1HH1 ARG 967 5.976 8.239 -14.321 178 HH22 ARG 967 2HH1 ARG 967 6.809 9.313 -13.249 179 H LYS 968 H LYS 968 -0.465 4.683 -10.130 180 HA LYS 968 HA LYS 968 -1.818 5.902 -12.442 181 HB2 LYS 968 2HB LYS 968 -2.955 3.838 -13.060 182 HB3 LYS 968 1HB LYS 968 -1.211 3.625 -13.194 183 HG2 LYS 968 2HG LYS 968 -1.154 2.475 -11.051 184 HG3 LYS 968 1HG LYS 968 -2.877 2.748 -10.811 185 HD2 LYS 968 2HD LYS 968 -3.354 1.445 -12.866 186 HD3 LYS 968 1HD LYS 968 -1.629 1.134 -13.055 187 HE2 LYS 968 2HE LYS 968 -1.568 -0.080 -10.950 188 HE3 LYS 968 1HE LYS 968 -3.248 0.344 -10.615 189 HZ1 LYS 968 3HZ LYS 968 -3.485 -0.768 -13.014 190 HZ2 LYS 968 1HZ LYS 968 -3.625 -1.641 -11.567 191 HZ3 LYS 968 2HZ LYS 968 -2.158 -1.650 -12.423 192 H GLU 969 H GLU 969 -4.023 6.237 -12.156 193 HA GLU 969 HA GLU 969 -4.833 6.703 -9.463 194 HB2 GLU 969 2HB GLU 969 -5.527 8.105 -11.380 195 HB3 GLU 969 1HB GLU 969 -6.484 6.760 -11.996 196 HG2 GLU 969 2HG GLU 969 -7.855 6.765 -9.968 197 HG3 GLU 969 1HG GLU 969 -6.861 8.049 -9.278 198 H MET 970 H MET 970 -6.240 5.650 -8.167 199 HA MET 970 HA MET 970 -7.730 3.311 -9.123 200 HB2 MET 970 2HB MET 970 -6.867 1.859 -7.367 201 HB3 MET 970 1HB MET 970 -5.528 2.428 -8.358 202 HG2 MET 970 2HG MET 970 -4.531 3.201 -6.461 203 HG3 MET 970 1HG MET 970 -5.830 4.375 -6.317 204 HE1 MET 970 3HE MET 970 -5.188 0.486 -4.042 205 HE2 MET 970 1HE MET 970 -4.167 1.262 -5.260 206 HE3 MET 970 2HE MET 970 -5.586 0.338 -5.749 207 H THR 971 H THR 971 -8.709 2.376 -6.771 208 HA THR 971 HA THR 971 -9.955 4.755 -5.490 209 HB THR 971 HB THR 971 -11.936 3.233 -5.120 210 HG1 THR 971 HG1 THR 971 -12.027 1.402 -6.419 211 HG21 THR 971 3HG2 THR 971 -11.027 4.077 -7.873 212 HG22 THR 971 1HG2 THR 971 -12.207 4.852 -6.816 213 HG23 THR 971 2HG2 THR 971 -12.604 3.333 -7.616 214 H VAL 972 H VAL 972 -10.636 4.484 -3.298 215 HA VAL 972 HA VAL 972 -8.718 3.292 -1.592 216 HB VAL 972 HB VAL 972 -11.498 4.411 -1.191 217 HG11 VAL 972 1HG1 VAL 972 -9.774 2.882 0.746 218 HG12 VAL 972 2HG1 VAL 972 -11.528 2.889 0.581 219 HG13 VAL 972 3HG1 VAL 972 -10.712 4.248 1.351 220 HG21 VAL 972 3HG2 VAL 972 -9.565 5.929 -1.632 221 HG22 VAL 972 1HG2 VAL 972 -8.761 5.282 -0.203 222 HG23 VAL 972 2HG2 VAL 972 -10.268 6.183 -0.037 223 H GLN 973 H GLN 973 -11.952 2.311 -2.662 224 HA GLN 973 HA GLN 973 -12.405 0.112 -1.085 225 HB2 GLN 973 2HB GLN 973 -13.009 0.571 -4.009 226 HB3 GLN 973 1HB GLN 973 -13.680 -0.759 -3.079 227 HG2 GLN 973 2HG GLN 973 -13.999 2.176 -2.392 228 HG3 GLN 973 1HG GLN 973 -15.219 1.200 -3.207 229 HE21 GLN 973 1HE2 GLN 973 -14.534 2.416 -0.237 230 HE22 GLN 973 2HE2 GLN 973 -15.208 1.206 0.746 231 H GLN 974 H GLN 974 -10.672 0.178 -4.195 232 HA GLN 974 HA GLN 974 -10.031 -2.548 -4.329 233 HB2 GLN 974 2HB GLN 974 -8.835 -0.044 -5.484 234 HB3 GLN 974 1HB GLN 974 -7.984 -1.574 -5.681 235 HG2 GLN 974 2HG GLN 974 -9.591 -0.941 -7.553 236 HG3 GLN 974 1HG GLN 974 -9.800 -2.549 -6.872 237 HE21 GLN 974 1HE2 GLN 974 -11.572 0.042 -7.910 238 HE22 GLN 974 2HE2 GLN 974 -12.939 -0.126 -6.919 239 H PHE 975 H PHE 975 -8.311 0.143 -2.780 240 HA PHE 975 HA PHE 975 -6.009 -1.295 -2.019 241 HB2 PHE 975 2HB PHE 975 -5.906 1.066 -1.875 242 HB3 PHE 975 1HB PHE 975 -7.355 1.150 -0.882 243 HD1 PHE 975 HD1 PHE 975 -4.087 -0.707 -0.785 244 HD2 PHE 975 HD2 PHE 975 -6.982 1.628 1.369 245 HE1 PHE 975 HE1 PHE 975 -2.704 -0.885 1.265 246 HE2 PHE 975 HE2 PHE 975 -5.589 1.463 3.413 247 HZ PHE 975 HZ PHE 975 -3.453 0.202 3.363 248 H LEU 976 H LEU 976 -9.084 -0.732 -0.327 249 HA LEU 976 HA LEU 976 -8.387 -2.088 2.041 250 HB2 LEU 976 2HB LEU 976 -10.918 -1.192 0.749 251 HB3 LEU 976 1HB LEU 976 -11.072 -2.408 2.009 252 HG LEU 976 HG LEU 976 -11.251 0.052 2.712 253 HD11 LEU 976 1HD1 LEU 976 -9.471 -0.499 4.684 254 HD12 LEU 976 2HD1 LEU 976 -9.639 -2.108 3.984 255 HD13 LEU 976 3HD1 LEU 976 -11.060 -1.254 4.573 256 HD21 LEU 976 3HD2 LEU 976 -9.361 1.415 2.786 257 HD22 LEU 976 1HD2 LEU 976 -9.103 0.566 1.267 258 HD23 LEU 976 2HD2 LEU 976 -8.244 0.061 2.720 259 H ASP 977 H ASP 977 -9.792 -3.218 -0.997 260 HA ASP 977 HA ASP 977 -10.301 -5.883 -0.135 261 HB2 ASP 977 2HB ASP 977 -11.174 -4.743 -2.251 262 HB3 ASP 977 1HB ASP 977 -9.579 -5.037 -2.943 263 H LEU 978 H LEU 978 -7.552 -4.278 -1.665 264 HA LEU 978 HA LEU 978 -5.937 -6.555 -2.067 265 HB2 LEU 978 2HB LEU 978 -5.499 -4.497 -3.238 266 HB3 LEU 978 1HB LEU 978 -5.242 -3.634 -1.725 267 HG LEU 978 HG LEU 978 -3.234 -4.934 -1.267 268 HD11 LEU 978 1HD1 LEU 978 -3.658 -7.100 -2.086 269 HD12 LEU 978 2HD1 LEU 978 -2.460 -6.486 -3.221 270 HD13 LEU 978 3HD1 LEU 978 -4.169 -6.509 -3.667 271 HD21 LEU 978 3HD2 LEU 978 -1.838 -4.060 -3.014 272 HD22 LEU 978 1HD2 LEU 978 -3.193 -2.944 -2.853 273 HD23 LEU 978 2HD2 LEU 978 -3.160 -4.106 -4.178 274 H LYS 979 H LYS 979 -5.925 -4.178 0.621 275 HA LYS 979 HA LYS 979 -3.833 -5.524 2.015 276 HB2 LYS 979 2HB LYS 979 -4.163 -3.951 3.727 277 HB3 LYS 979 1HB LYS 979 -4.593 -3.078 2.259 278 HG2 LYS 979 2HG LYS 979 -6.989 -3.751 2.708 279 HG3 LYS 979 1HG LYS 979 -6.461 -4.291 4.289 280 HD2 LYS 979 2HD LYS 979 -5.992 -1.493 3.225 281 HD3 LYS 979 1HD LYS 979 -7.345 -1.927 4.265 282 HE2 LYS 979 2HE LYS 979 -5.595 -2.840 5.908 283 HE3 LYS 979 1HE LYS 979 -4.400 -1.985 4.930 284 HZ1 LYS 979 3HZ LYS 979 -5.066 -0.013 5.691 285 HZ2 LYS 979 1HZ LYS 979 -5.779 -0.887 6.956 286 HZ3 LYS 979 2HZ LYS 979 -6.715 -0.414 5.621 287 H GLU 980 H GLU 980 -7.364 -5.618 2.202 288 HA GLU 980 HA GLU 980 -7.633 -7.195 4.491 289 HB2 GLU 980 2HB GLU 980 -9.530 -6.139 3.336 290 HB3 GLU 980 1HB GLU 980 -9.317 -7.232 1.970 291 HG2 GLU 980 2HG GLU 980 -11.098 -8.080 3.393 292 HG3 GLU 980 1HG GLU 980 -9.718 -9.165 3.520 293 H ARG 981 H ARG 981 -7.385 -8.232 1.081 294 HA ARG 981 HA ARG 981 -7.402 -11.001 1.620 295 HB2 ARG 981 2HB ARG 981 -6.352 -9.387 -0.705 296 HB3 ARG 981 1HB ARG 981 -6.341 -11.151 -0.682 297 HG2 ARG 981 2HG ARG 981 -8.778 -11.181 -0.356 298 HG3 ARG 981 1HG ARG 981 -8.804 -9.416 -0.326 299 HD2 ARG 981 2HD ARG 981 -7.913 -9.354 -2.619 300 HD3 ARG 981 1HD ARG 981 -7.872 -11.114 -2.657 301 HE ARG 981 HE ARG 981 -10.489 -10.085 -2.039 302 HH11 ARG 981 1HH2 ARG 981 -8.205 -10.765 -4.554 303 HH12 ARG 981 2HH2 ARG 981 -9.412 -10.957 -5.782 304 HH21 ARG 981 1HH1 ARG 981 -12.070 -10.333 -3.649 305 HH22 ARG 981 2HH1 ARG 981 -11.596 -10.711 -5.271 306 H ALA 982 H ALA 982 -4.648 -8.772 1.073 307 HA ALA 982 HA ALA 982 -2.645 -10.741 1.282 308 HB1 ALA 982 3HB ALA 982 -1.095 -8.967 1.433 309 HB2 ALA 982 1HB ALA 982 -2.281 -7.885 2.165 310 HB3 ALA 982 2HB ALA 982 -2.421 -8.327 0.478 311 H LEU 983 H LEU 983 -3.855 -8.467 3.732 312 HA LEU 983 HA LEU 983 -2.247 -9.478 5.793 313 HB2 LEU 983 2HB LEU 983 -4.713 -7.773 5.704 314 HB3 LEU 983 1HB LEU 983 -4.186 -8.413 7.253 315 HG LEU 983 HG LEU 983 -2.035 -7.344 7.051 316 HD11 LEU 983 1HD1 LEU 983 -2.915 -6.710 4.239 317 HD12 LEU 983 2HD1 LEU 983 -1.465 -7.556 4.755 318 HD13 LEU 983 3HD1 LEU 983 -1.620 -5.825 5.032 319 HD21 LEU 983 3HD2 LEU 983 -2.697 -5.034 7.132 320 HD22 LEU 983 1HD2 LEU 983 -4.049 -5.983 7.751 321 HD23 LEU 983 2HD2 LEU 983 -4.097 -5.343 6.109 322 H SER 984 H SER 984 -5.204 -10.604 4.379 323 HA SER 984 HA SER 984 -5.964 -12.269 6.608 324 HB2 SER 984 2HB SER 984 -6.897 -12.122 3.739 325 HB3 SER 984 1HB SER 984 -7.555 -13.262 4.908 326 HG SER 984 HG SER 984 -8.801 -11.403 4.920 327 H GLY 985 H GLY 985 -3.476 -12.457 4.424 328 HA2 GLY 985 2HA GLY 985 -1.888 -14.222 4.461 329 HA3 GLY 985 1HA GLY 985 -3.162 -15.346 4.909 330 H ALA 986 H ALA 986 -3.603 -13.072 2.270 331 HA ALA 986 HA ALA 986 -4.179 -15.196 0.441 332 HB1 ALA 986 3HB ALA 986 -3.728 -12.261 -0.110 333 HB2 ALA 986 1HB ALA 986 -5.270 -13.017 0.246 334 HB3 ALA 986 2HB ALA 986 -4.424 -13.425 -1.236 335 H SER 987 H SER 987 -3.077 -15.696 -1.501 336 HA SER 987 HA SER 987 -0.159 -15.179 -1.390 337 HB2 SER 987 2HB SER 987 -1.593 -17.496 -2.707 338 HB3 SER 987 1HB SER 987 0.148 -17.298 -2.526 339 HG SER 987 HG SER 987 -1.776 -17.575 -0.452 340 H ASP 988 H ASP 988 -2.942 -14.357 -2.981 341 HA ASP 988 HA ASP 988 -2.503 -14.441 -5.673 342 HB2 ASP 988 2HB ASP 988 -3.587 -12.181 -3.983 343 HB3 ASP 988 1HB ASP 988 -3.647 -12.168 -5.743 344 HA PRO 989 HA PRO 989 1.289 -12.300 -6.507 345 HB2 PRO 989 2HB PRO 989 0.608 -10.873 -8.813 346 HB3 PRO 989 1HB PRO 989 1.064 -12.586 -8.781 347 HG2 PRO 989 2HG PRO 989 -1.662 -11.362 -8.828 348 HG3 PRO 989 1HG PRO 989 -1.042 -12.763 -9.723 349 HD2 PRO 989 2HD PRO 989 -2.575 -13.107 -7.557 350 HD3 PRO 989 1HD PRO 989 -1.195 -14.184 -7.865 351 H ASP 990 H ASP 990 -1.692 -10.436 -6.523 352 HA ASP 990 HA ASP 990 -0.506 -7.868 -6.251 353 HB2 ASP 990 2HB ASP 990 -3.248 -8.932 -5.570 354 HB3 ASP 990 1HB ASP 990 -2.802 -7.236 -5.404 355 H SER 991 H SER 991 -1.449 -10.375 -3.951 356 HA SER 991 HA SER 991 -1.209 -8.751 -1.617 357 HB2 SER 991 2HB SER 991 -2.521 -10.648 -1.296 358 HB3 SER 991 1HB SER 991 -1.377 -11.707 -2.120 359 HG SER 991 HG SER 991 -0.037 -11.597 -0.372 360 H GLN 992 H GLN 992 0.981 -11.227 -3.024 361 HA GLN 992 HA GLN 992 3.008 -10.795 -1.095 362 HB2 GLN 992 2HB GLN 992 4.483 -11.761 -3.099 363 HB3 GLN 992 1HB GLN 992 3.372 -12.787 -2.192 364 HG2 GLN 992 2HG GLN 992 1.758 -12.787 -3.879 365 HG3 GLN 992 1HG GLN 992 2.406 -11.340 -4.637 366 HE21 GLN 992 1HE2 GLN 992 1.962 -14.207 -5.694 367 HE22 GLN 992 2HE2 GLN 992 3.462 -14.627 -6.364 368 H ARG 993 H ARG 993 2.322 -9.305 -4.228 369 HA ARG 993 HA ARG 993 4.697 -7.742 -4.346 370 HB2 ARG 993 2HB ARG 993 1.973 -7.430 -5.621 371 HB3 ARG 993 1HB ARG 993 3.287 -6.281 -5.892 372 HG2 ARG 993 2HG ARG 993 4.711 -8.022 -6.787 373 HG3 ARG 993 1HG ARG 993 3.534 -9.264 -6.369 374 HD2 ARG 993 2HD ARG 993 3.369 -8.731 -8.751 375 HD3 ARG 993 1HD ARG 993 1.904 -8.215 -7.918 376 HE ARG 993 HE ARG 993 3.764 -6.069 -8.013 377 HH11 ARG 993 1HH2 ARG 993 1.674 -7.987 -9.989 378 HH12 ARG 993 2HH2 ARG 993 1.348 -6.720 -11.123 379 HH21 ARG 993 1HH1 ARG 993 3.347 -4.395 -9.504 380 HH22 ARG 993 2HH1 ARG 993 2.296 -4.687 -10.849 381 H TYR 994 H TYR 994 1.515 -7.263 -2.910 382 HA TYR 994 HA TYR 994 1.821 -4.552 -2.177 383 HB2 TYR 994 2HB TYR 994 -0.360 -5.631 -2.119 384 HB3 TYR 994 1HB TYR 994 0.200 -6.762 -0.890 385 HD1 TYR 994 HD1 TYR 994 0.077 -3.053 -1.496 386 HD2 TYR 994 HD2 TYR 994 -0.288 -6.258 1.342 387 HE1 TYR 994 HE1 TYR 994 -0.516 -1.423 0.278 388 HE2 TYR 994 HE2 TYR 994 -0.880 -4.627 3.110 389 HH TYR 994 HH TYR 994 -0.248 -1.631 3.127 390 H ASN 995 H ASN 995 2.555 -7.579 -0.470 391 HA ASN 995 HA ASN 995 3.432 -6.425 1.944 392 HB2 ASN 995 2HB ASN 995 4.081 -9.022 0.549 393 HB3 ASN 995 1HB ASN 995 4.843 -8.585 2.078 394 HD21 ASN 995 1HD2 ASN 995 2.153 -10.173 0.788 395 HD22 ASN 995 2HD2 ASN 995 1.158 -10.121 2.161 396 H ALA 996 H ALA 996 5.102 -7.178 -1.093 397 HA ALA 996 HA ALA 996 7.696 -6.425 -0.227 398 HB1 ALA 996 3HB ALA 996 6.572 -6.235 -3.011 399 HB2 ALA 996 1HB ALA 996 7.218 -7.718 -2.318 400 HB3 ALA 996 2HB ALA 996 8.268 -6.316 -2.569 401 H TRP 997 H TRP 997 5.039 -4.637 -1.780 402 HA TRP 997 HA TRP 997 6.381 -2.256 -2.238 403 HB2 TRP 997 2HB TRP 997 4.136 -2.477 -3.072 404 HB3 TRP 997 1HB TRP 997 3.494 -2.735 -1.453 405 HD1 TRP 997 HD TRP 997 5.449 0.037 -3.331 406 HE1 TRP 997 HE1 TRP 997 4.578 2.321 -2.498 407 HE3 TRP 997 HE3 TRP 997 2.093 -1.533 0.177 408 HZ2 TRP 997 HZ2 TRP 997 2.696 3.338 -0.580 409 HZ3 TRP 997 HZ3 TRP 997 0.778 0.103 1.491 410 HH2 TRP 997 HH TRP 997 1.071 2.535 1.117 411 H LEU 998 H LEU 998 4.864 -3.489 0.724 412 HA LEU 998 HA LEU 998 5.367 -1.176 2.301 413 HB2 LEU 998 2HB LEU 998 5.020 -4.085 3.050 414 HB3 LEU 998 1HB LEU 998 5.220 -2.808 4.244 415 HG LEU 998 HG LEU 998 3.072 -2.748 2.104 416 HD11 LEU 998 1HD1 LEU 998 2.518 -4.672 3.364 417 HD12 LEU 998 2HD1 LEU 998 1.569 -3.385 4.108 418 HD13 LEU 998 3HD1 LEU 998 3.054 -3.945 4.878 419 HD21 LEU 998 3HD2 LEU 998 3.273 -0.558 2.951 420 HD22 LEU 998 1HD2 LEU 998 3.704 -1.114 4.568 421 HD23 LEU 998 2HD2 LEU 998 2.039 -1.238 4.004 422 H GLU 999 H GLU 999 7.242 -4.082 1.547 423 HA GLU 999 HA GLU 999 9.426 -3.550 3.272 424 HB2 GLU 999 2HB GLU 999 9.064 -5.739 2.202 425 HB3 GLU 999 1HB GLU 999 9.409 -5.040 0.621 426 HG2 GLU 999 2HG GLU 999 11.679 -4.432 1.391 427 HG3 GLU 999 1HG GLU 999 11.326 -5.125 2.974 428 H LEU1000 H LEU1000 8.773 -2.620 -0.093 429 HA LEU1000 HA LEU1000 11.229 -1.331 -0.614 430 HB2 LEU1000 2HB LEU1000 8.470 -0.707 -1.717 431 HB3 LEU1000 1HB LEU1000 9.989 -0.125 -2.389 432 HG LEU1000 HG LEU1000 9.128 -3.020 -2.171 433 HD11 LEU1000 1HD1 LEU1000 8.829 -2.982 -4.518 434 HD12 LEU1000 2HD1 LEU1000 9.650 -1.431 -4.680 435 HD13 LEU1000 3HD1 LEU1000 8.053 -1.509 -3.937 436 HD21 LEU1000 3HD2 LEU1000 11.728 -1.725 -2.940 437 HD22 LEU1000 1HD2 LEU1000 11.241 -3.220 -3.743 438 HD23 LEU1000 2HD2 LEU1000 11.440 -3.185 -1.994 439 H ARG1001 H ARG1001 8.158 -0.226 0.750 440 HA ARG1001 HA ARG1001 8.802 2.496 0.971 441 HB2 ARG1001 2HB ARG1001 6.529 1.699 1.252 442 HB3 ARG1001 1HB ARG1001 6.997 0.764 2.669 443 HG2 ARG1001 2HG ARG1001 7.493 2.732 3.921 444 HG3 ARG1001 1HG ARG1001 7.389 3.739 2.486 445 HD2 ARG1001 2HD ARG1001 4.972 3.132 2.295 446 HD3 ARG1001 1HD ARG1001 5.116 2.216 3.793 447 HE ARG1001 HE ARG1001 5.032 5.114 3.515 448 HH11 ARG1001 1HH2 ARG1001 5.812 2.376 5.495 449 HH12 ARG1001 2HH2 ARG1001 5.726 3.265 6.980 450 HH21 ARG1001 1HH1 ARG1001 4.911 6.266 5.455 451 HH22 ARG1001 2HH1 ARG1001 5.217 5.462 6.959 452 H ALA1002 H ALA1002 9.206 -0.190 3.220 453 HA ALA1002 HA ALA1002 10.242 1.277 5.368 454 HB1 ALA1002 3HB ALA1002 10.032 -1.534 4.585 455 HB2 ALA1002 1HB ALA1002 9.988 -0.835 6.201 456 HB3 ALA1002 2HB ALA1002 11.535 -1.227 5.452 457 H LYS1003 H LYS1003 11.654 0.033 2.431 458 HA LYS1003 HA LYS1003 14.379 0.545 3.174 459 HB2 LYS1003 2HB LYS1003 13.105 0.030 0.479 460 HB3 LYS1003 1HB LYS1003 14.839 0.191 0.729 461 HG2 LYS1003 2HG LYS1003 13.271 -1.778 2.393 462 HG3 LYS1003 1HG LYS1003 13.742 -2.204 0.751 463 HD2 LYS1003 2HD LYS1003 16.101 -1.789 1.285 464 HD3 LYS1003 1HD LYS1003 15.668 -1.293 2.916 465 HE2 LYS1003 2HE LYS1003 16.435 -3.620 2.911 466 HE3 LYS1003 1HE LYS1003 14.728 -3.542 3.346 467 HZ1 LYS1003 3HZ LYS1003 15.537 -5.222 1.564 468 HZ2 LYS1003 1HZ LYS1003 15.496 -3.880 0.527 469 HZ3 LYS1003 2HZ LYS1003 14.081 -4.377 1.323 470 H ARG1004 H ARG1004 11.860 2.393 1.585 471 HA ARG1004 HA ARG1004 13.426 4.421 0.446 472 HB2 ARG1004 2HB ARG1004 10.634 4.502 1.605 473 HB3 ARG1004 1HB ARG1004 11.362 5.854 0.746 474 HG2 ARG1004 2HG ARG1004 11.327 3.136 -0.557 475 HG3 ARG1004 1HG ARG1004 9.861 4.110 -0.558 476 HD2 ARG1004 2HD ARG1004 12.556 5.051 -1.590 477 HD3 ARG1004 1HD ARG1004 11.227 4.489 -2.597 478 HE ARG1004 HE ARG1004 10.271 6.539 -0.921 479 HH11 ARG1004 1HH2 ARG1004 12.444 6.019 -3.569 480 HH12 ARG1004 2HH2 ARG1004 12.277 7.626 -4.194 481 HH21 ARG1004 1HH1 ARG1004 10.052 8.638 -1.737 482 HH22 ARG1004 2HH1 ARG1004 10.914 9.105 -3.164 483 H LEU1005 H LEU1005 12.448 3.841 3.749 484 HA LEU1005 HA LEU1005 12.902 6.400 4.836 485 HB2 LEU1005 2HB LEU1005 13.214 3.649 6.067 486 HB3 LEU1005 1HB LEU1005 13.240 5.152 6.982 487 HG LEU1005 HG LEU1005 10.936 4.309 5.201 488 HD11 LEU1005 1HD1 LEU1005 9.796 3.727 7.349 489 HD12 LEU1005 2HD1 LEU1005 11.321 3.992 8.193 490 HD13 LEU1005 3HD1 LEU1005 11.184 2.694 7.008 491 HD21 LEU1005 3HD2 LEU1005 11.451 6.606 7.089 492 HD22 LEU1005 1HD2 LEU1005 9.805 6.001 6.905 493 HD23 LEU1005 2HD2 LEU1005 10.679 6.614 5.506 494 H SER1006 H SER1006 15.054 3.627 4.346 495 HA SER1006 HA SER1006 17.340 3.418 4.418 496 HB2 SER1006 2HB SER1006 17.438 6.382 3.871 497 HB3 SER1006 1HB SER1006 18.605 5.150 3.400 498 HG SER1006 HG SER1006 16.750 4.221 2.195 Start of MODEL 16 1 HA2 GLY 945 2HA GLY 945 -14.345 21.881 4.046 2 HA3 GLY 945 1HA GLY 945 -15.414 22.417 5.343 3 H ALA 946 H ALA 946 -16.216 19.297 4.839 4 HA ALA 946 HA ALA 946 -14.091 18.094 6.482 5 HB1 ALA 946 3HB ALA 946 -17.019 18.216 7.235 6 HB2 ALA 946 1HB ALA 946 -15.643 18.807 8.165 7 HB3 ALA 946 2HB ALA 946 -15.880 17.072 7.947 8 H MET 947 H MET 947 -13.536 16.851 4.684 9 HA MET 947 HA MET 947 -15.362 15.395 3.095 10 HB2 MET 947 2HB MET 947 -12.454 14.772 3.671 11 HB3 MET 947 1HB MET 947 -13.397 14.162 2.310 12 HG2 MET 947 2HG MET 947 -12.768 17.081 2.862 13 HG3 MET 947 1HG MET 947 -12.001 16.085 1.626 14 HE1 MET 947 3HE MET 947 -14.454 14.399 0.234 15 HE2 MET 947 1HE MET 947 -12.935 15.142 -0.282 16 HE3 MET 947 2HE MET 947 -14.442 15.558 -1.090 17 H ALA 948 H ALA 948 -13.569 14.524 6.030 18 HA ALA 948 HA ALA 948 -13.724 12.685 7.412 19 HB1 ALA 948 3HB ALA 948 -15.926 12.117 8.080 20 HB2 ALA 948 1HB ALA 948 -16.595 12.531 6.503 21 HB3 ALA 948 2HB ALA 948 -16.024 13.805 7.577 22 H ILE 949 H ILE 949 -12.448 11.166 6.430 23 HA ILE 949 HA ILE 949 -13.749 9.292 4.531 24 HB ILE 949 HB ILE 949 -10.772 9.603 4.954 25 HG12 ILE 949 2HG1 ILE 949 -10.897 10.928 2.775 26 HG13 ILE 949 1HG1 ILE 949 -12.626 11.076 3.056 27 HG21 ILE 949 1HG2 ILE 949 -12.486 8.479 2.720 28 HG22 ILE 949 2HG2 ILE 949 -11.535 7.541 3.873 29 HG23 ILE 949 3HG2 ILE 949 -10.724 8.575 2.697 30 HD11 ILE 949 3HD1 ILE 949 -10.763 12.873 3.947 31 HD12 ILE 949 1HD1 ILE 949 -10.934 11.853 5.374 32 HD13 ILE 949 2HD1 ILE 949 -12.345 12.652 4.683 33 H ALA 950 H ALA 950 -14.022 7.241 5.137 34 HA ALA 950 HA ALA 950 -13.849 6.328 7.714 35 HB1 ALA 950 3HB ALA 950 -13.758 4.012 6.695 36 HB2 ALA 950 1HB ALA 950 -13.610 4.797 5.124 37 HB3 ALA 950 2HB ALA 950 -15.060 5.040 6.098 38 H LEU 951 H LEU 951 -11.278 6.948 5.582 39 HA LEU 951 HA LEU 951 -9.392 5.184 6.971 40 HB2 LEU 951 2HB LEU 951 -9.302 6.916 4.519 41 HB3 LEU 951 1HB LEU 951 -7.789 6.433 5.285 42 HG LEU 951 HG LEU 951 -8.482 4.064 5.126 43 HD11 LEU 951 1HD1 LEU 951 -10.875 4.244 5.170 44 HD12 LEU 951 2HD1 LEU 951 -10.445 3.587 3.590 45 HD13 LEU 951 3HD1 LEU 951 -10.881 5.289 3.749 46 HD21 LEU 951 3HD2 LEU 951 -8.695 5.487 2.461 47 HD22 LEU 951 1HD2 LEU 951 -8.090 3.858 2.751 48 HD23 LEU 951 2HD2 LEU 951 -7.177 5.250 3.324 49 H ARG 952 H ARG 952 -7.947 5.828 8.440 50 HA ARG 952 HA ARG 952 -8.278 8.309 9.775 51 HB2 ARG 952 2HB ARG 952 -6.079 6.235 9.933 52 HB3 ARG 952 1HB ARG 952 -6.244 7.595 11.044 53 HG2 ARG 952 2HG ARG 952 -8.493 6.817 11.677 54 HG3 ARG 952 1HG ARG 952 -8.347 5.465 10.556 55 HD2 ARG 952 2HD ARG 952 -6.365 4.662 11.826 56 HD3 ARG 952 1HD ARG 952 -6.596 5.977 12.979 57 HE ARG 952 HE ARG 952 -8.967 4.386 12.648 58 HH11 ARG 952 1HH2 ARG 952 -5.889 4.637 14.211 59 HH12 ARG 952 2HH2 ARG 952 -6.320 3.597 15.529 60 HH21 ARG 952 1HH1 ARG 952 -9.542 3.030 14.374 61 HH22 ARG 952 2HH1 ARG 952 -8.391 2.694 15.624 62 H ASP 953 H ASP 953 -6.244 9.722 10.217 63 HA ASP 953 HA ASP 953 -5.587 11.040 7.825 64 HB2 ASP 953 2HB ASP 953 -4.472 11.135 10.625 65 HB3 ASP 953 1HB ASP 953 -3.743 12.089 9.337 66 H ASP 954 H ASP 954 -3.714 8.727 9.781 67 HA ASP 954 HA ASP 954 -1.393 8.809 8.134 68 HB2 ASP 954 2HB ASP 954 -1.293 7.952 10.421 69 HB3 ASP 954 1HB ASP 954 -2.393 6.640 9.994 70 H GLU 955 H GLU 955 -4.279 6.782 8.194 71 HA GLU 955 HA GLU 955 -3.472 4.919 6.227 72 HB2 GLU 955 2HB GLU 955 -6.224 5.837 7.084 73 HB3 GLU 955 1HB GLU 955 -5.910 4.448 6.043 74 HG2 GLU 955 2HG GLU 955 -4.681 4.767 8.786 75 HG3 GLU 955 1HG GLU 955 -6.186 3.898 8.505 76 H TYR 956 H TYR 956 -5.204 8.006 6.014 77 HA TYR 956 HA TYR 956 -5.896 7.874 3.291 78 HB2 TYR 956 2HB TYR 956 -6.840 9.572 4.760 79 HB3 TYR 956 1HB TYR 956 -5.244 10.280 5.015 80 HD1 TYR 956 HD1 TYR 956 -7.973 9.761 2.587 81 HD2 TYR 956 HD2 TYR 956 -4.164 11.614 3.291 82 HE1 TYR 956 HE1 TYR 956 -8.272 11.142 0.551 83 HE2 TYR 956 HE2 TYR 956 -4.461 12.998 1.253 84 HH TYR 956 HH TYR 956 -5.683 13.147 -0.705 85 H ASP 957 H ASP 957 -3.012 9.099 4.933 86 HA ASP 957 HA ASP 957 -1.665 10.051 2.635 87 HB2 ASP 957 2HB ASP 957 -1.012 10.665 4.928 88 HB3 ASP 957 1HB ASP 957 -0.521 9.001 5.235 89 H GLU 958 H GLU 958 -1.737 6.903 4.251 90 HA GLU 958 HA GLU 958 0.288 5.686 2.678 91 HB2 GLU 958 2HB GLU 958 -0.708 4.837 4.883 92 HB3 GLU 958 1HB GLU 958 -2.047 4.225 3.911 93 HG2 GLU 958 2HG GLU 958 -0.479 2.421 4.112 94 HG3 GLU 958 1HG GLU 958 -0.315 3.045 2.472 95 H TRP 959 H TRP 959 -3.229 5.986 2.314 96 HA TRP 959 HA TRP 959 -3.491 4.265 0.088 97 HB2 TRP 959 2HB TRP 959 -5.492 4.896 1.240 98 HB3 TRP 959 1HB TRP 959 -5.137 6.609 1.059 99 HD1 TRP 959 HD TRP 959 -5.620 3.604 -1.351 100 HE1 TRP 959 HE1 TRP 959 -7.071 4.414 -3.324 101 HE3 TRP 959 HE3 TRP 959 -6.254 8.474 -0.010 102 HZ2 TRP 959 HZ2 TRP 959 -8.343 6.823 -4.210 103 HZ3 TRP 959 HZ3 TRP 959 -7.592 10.012 -1.428 104 HH2 TRP 959 HH TRP 959 -8.637 9.191 -3.523 105 H GLN 960 H GLN 960 -2.975 7.804 0.294 106 HA GLN 960 HA GLN 960 -2.913 8.250 -2.485 107 HB2 GLN 960 2HB GLN 960 -1.541 9.688 -0.205 108 HB3 GLN 960 1HB GLN 960 -1.489 10.258 -1.874 109 HG2 GLN 960 2HG GLN 960 -4.062 9.689 -0.383 110 HG3 GLN 960 1HG GLN 960 -3.328 11.289 -0.475 111 HE21 GLN 960 1HE2 GLN 960 -5.357 9.053 -2.143 112 HE22 GLN 960 2HE2 GLN 960 -5.472 9.911 -3.602 113 H ASP 961 H ASP 961 -0.421 7.222 -0.225 114 HA ASP 961 HA ASP 961 1.761 7.349 -2.016 115 HB2 ASP 961 2HB ASP 961 1.255 5.713 0.467 116 HB3 ASP 961 1HB ASP 961 2.770 5.636 -0.428 117 H ILE 962 H ILE 962 -0.673 4.823 -1.407 118 HA ILE 962 HA ILE 962 0.698 2.823 -2.893 119 HB ILE 962 HB ILE 962 -1.464 2.756 -1.226 120 HG12 ILE 962 2HG1 ILE 962 -1.861 0.380 -2.339 121 HG13 ILE 962 1HG1 ILE 962 -0.457 0.822 -3.307 122 HG21 ILE 962 1HG2 ILE 962 -2.952 3.742 -2.991 123 HG22 ILE 962 2HG2 ILE 962 -3.476 2.157 -2.464 124 HG23 ILE 962 3HG2 ILE 962 -2.639 2.350 -3.997 125 HD11 ILE 962 3HD1 ILE 962 0.285 -0.417 -1.349 126 HD12 ILE 962 1HD1 ILE 962 -0.585 0.686 -0.284 127 HD13 ILE 962 2HD1 ILE 962 0.809 1.258 -1.198 128 H ILE 963 H ILE 963 -1.709 5.276 -3.732 129 HA ILE 963 HA ILE 963 -2.155 4.439 -6.395 130 HB ILE 963 HB ILE 963 -2.154 7.275 -5.352 131 HG12 ILE 963 2HG1 ILE 963 -4.358 5.207 -5.422 132 HG13 ILE 963 1HG1 ILE 963 -3.596 5.847 -3.985 133 HG21 ILE 963 1HG2 ILE 963 -3.634 7.750 -7.203 134 HG22 ILE 963 2HG2 ILE 963 -3.728 6.040 -7.623 135 HG23 ILE 963 3HG2 ILE 963 -2.223 6.926 -7.863 136 HD11 ILE 963 3HD1 ILE 963 -5.283 7.364 -3.976 137 HD12 ILE 963 1HD1 ILE 963 -5.706 7.025 -5.651 138 HD13 ILE 963 2HD1 ILE 963 -4.406 8.159 -5.280 139 H ARG 964 H ARG 964 0.237 6.610 -4.933 140 HA ARG 964 HA ARG 964 1.524 7.453 -7.280 141 HB2 ARG 964 2HB ARG 964 1.965 8.398 -5.026 142 HB3 ARG 964 1HB ARG 964 2.761 6.893 -4.570 143 HG2 ARG 964 2HG ARG 964 4.411 7.230 -6.401 144 HG3 ARG 964 1HG ARG 964 3.624 8.755 -6.806 145 HD2 ARG 964 2HD ARG 964 4.072 9.553 -4.484 146 HD3 ARG 964 1HD ARG 964 4.953 8.062 -4.175 147 HE ARG 964 HE ARG 964 5.925 9.475 -6.492 148 HH11 ARG 964 1HH2 ARG 964 6.014 9.184 -3.045 149 HH12 ARG 964 2HH2 ARG 964 7.576 9.915 -2.885 150 HH21 ARG 964 1HH1 ARG 964 7.978 10.429 -6.291 151 HH22 ARG 964 2HH1 ARG 964 8.690 10.614 -4.723 152 H ASP 965 H ASP 965 2.009 4.589 -5.246 153 HA ASP 965 HA ASP 965 4.253 3.545 -6.582 154 HB2 ASP 965 2HB ASP 965 3.392 2.801 -4.356 155 HB3 ASP 965 1HB ASP 965 2.092 1.956 -5.197 156 H TRP 966 H TRP 966 0.766 2.950 -7.143 157 HA TRP 966 HA TRP 966 1.314 1.074 -9.269 158 HB2 TRP 966 2HB TRP 966 -1.312 2.453 -8.697 159 HB3 TRP 966 1HB TRP 966 -1.055 0.944 -9.573 160 HD1 TRP 966 HD TRP 966 -2.086 2.116 -6.334 161 HE1 TRP 966 HE1 TRP 966 -1.806 0.315 -4.526 162 HE3 TRP 966 HE3 TRP 966 0.924 -1.172 -8.829 163 HZ2 TRP 966 HZ2 TRP 966 -0.468 -2.195 -4.170 164 HZ3 TRP 966 HZ3 TRP 966 1.682 -3.257 -7.732 165 HH2 TRP 966 HH TRP 966 0.993 -3.773 -5.409 166 H ARG 967 H ARG 967 1.618 4.348 -9.109 167 HA ARG 967 HA ARG 967 1.692 6.056 -10.646 168 HB2 ARG 967 2HB ARG 967 2.398 3.678 -12.373 169 HB3 ARG 967 1HB ARG 967 2.571 5.355 -12.890 170 HG2 ARG 967 2HG ARG 967 4.065 5.792 -10.971 171 HG3 ARG 967 1HG ARG 967 3.904 4.112 -10.468 172 HD2 ARG 967 2HD ARG 967 4.859 3.375 -12.625 173 HD3 ARG 967 1HD ARG 967 5.031 5.057 -13.115 174 HE ARG 967 HE ARG 967 6.847 5.276 -11.646 175 HH11 ARG 967 1HH2 ARG 967 5.210 2.252 -11.255 176 HH12 ARG 967 2HH2 ARG 967 6.485 1.521 -10.339 177 HH21 ARG 967 1HH1 ARG 967 8.522 4.325 -10.439 178 HH22 ARG 967 2HH1 ARG 967 8.359 2.696 -9.875 179 H LYS 968 H LYS 968 -0.917 4.482 -10.346 180 HA LYS 968 HA LYS 968 -2.271 5.762 -12.619 181 HB2 LYS 968 2HB LYS 968 -3.554 3.792 -13.180 182 HB3 LYS 968 1HB LYS 968 -1.842 3.385 -13.287 183 HG2 LYS 968 2HG LYS 968 -2.021 2.556 -10.896 184 HG3 LYS 968 1HG LYS 968 -3.766 2.710 -11.051 185 HD2 LYS 968 2HD LYS 968 -2.072 1.083 -12.967 186 HD3 LYS 968 1HD LYS 968 -2.843 0.396 -11.541 187 HE2 LYS 968 2HE LYS 968 -5.046 1.308 -12.422 188 HE3 LYS 968 1HE LYS 968 -4.197 1.681 -13.924 189 HZ1 LYS 968 3HZ LYS 968 -3.444 -0.798 -13.671 190 HZ2 LYS 968 1HZ LYS 968 -4.934 -0.406 -14.380 191 HZ3 LYS 968 2HZ LYS 968 -4.874 -0.918 -12.761 192 H GLU 969 H GLU 969 -4.504 6.170 -12.215 193 HA GLU 969 HA GLU 969 -5.035 6.693 -9.445 194 HB2 GLU 969 2HB GLU 969 -7.026 7.796 -10.214 195 HB3 GLU 969 1HB GLU 969 -5.718 8.194 -11.324 196 HG2 GLU 969 2HG GLU 969 -6.518 6.280 -12.786 197 HG3 GLU 969 1HG GLU 969 -7.939 6.182 -11.746 198 H MET 970 H MET 970 -6.161 5.569 -8.024 199 HA MET 970 HA MET 970 -8.138 3.588 -8.872 200 HB2 MET 970 2HB MET 970 -7.185 1.876 -7.309 201 HB3 MET 970 1HB MET 970 -6.171 2.184 -8.717 202 HG2 MET 970 2HG MET 970 -4.645 2.197 -6.932 203 HG3 MET 970 1HG MET 970 -4.965 3.907 -7.200 204 HE1 MET 970 3HE MET 970 -6.751 1.111 -4.104 205 HE2 MET 970 1HE MET 970 -4.987 1.175 -4.222 206 HE3 MET 970 2HE MET 970 -5.954 0.762 -5.636 207 H THR 971 H THR 971 -9.581 3.001 -7.143 208 HA THR 971 HA THR 971 -10.021 5.225 -5.345 209 HB THR 971 HB THR 971 -12.129 4.086 -4.837 210 HG1 THR 971 HG1 THR 971 -11.170 1.950 -4.996 211 HG21 THR 971 3HG2 THR 971 -11.320 4.180 -7.751 212 HG22 THR 971 1HG2 THR 971 -12.109 5.451 -6.818 213 HG23 THR 971 2HG2 THR 971 -12.985 3.972 -7.210 214 H VAL 972 H VAL 972 -10.744 4.829 -3.121 215 HA VAL 972 HA VAL 972 -8.701 3.703 -1.514 216 HB VAL 972 HB VAL 972 -11.497 4.725 -0.983 217 HG11 VAL 972 1HG1 VAL 972 -9.581 3.372 0.898 218 HG12 VAL 972 2HG1 VAL 972 -11.324 3.178 0.772 219 HG13 VAL 972 3HG1 VAL 972 -10.652 4.638 1.496 220 HG21 VAL 972 3HG2 VAL 972 -9.801 6.399 -1.514 221 HG22 VAL 972 1HG2 VAL 972 -8.707 5.712 -0.314 222 HG23 VAL 972 2HG2 VAL 972 -10.194 6.501 0.201 223 H GLN 973 H GLN 973 -11.971 2.614 -2.391 224 HA GLN 973 HA GLN 973 -12.170 0.382 -0.767 225 HB2 GLN 973 2HB GLN 973 -13.241 1.043 -3.504 226 HB3 GLN 973 1HB GLN 973 -13.591 -0.512 -2.762 227 HG2 GLN 973 2HG GLN 973 -15.356 1.195 -2.306 228 HG3 GLN 973 1HG GLN 973 -14.603 0.583 -0.834 229 HE21 GLN 973 1HE2 GLN 973 -14.317 3.315 -3.169 230 HE22 GLN 973 2HE2 GLN 973 -13.794 4.438 -2.011 231 H GLN 974 H GLN 974 -10.775 0.648 -4.022 232 HA GLN 974 HA GLN 974 -10.113 -2.012 -4.488 233 HB2 GLN 974 2HB GLN 974 -8.992 0.637 -5.332 234 HB3 GLN 974 1HB GLN 974 -8.064 -0.809 -5.715 235 HG2 GLN 974 2HG GLN 974 -9.675 -0.066 -7.512 236 HG3 GLN 974 1HG GLN 974 -9.877 -1.734 -6.992 237 HE21 GLN 974 1HE2 GLN 974 -11.722 0.745 -7.942 238 HE22 GLN 974 2HE2 GLN 974 -13.071 0.558 -6.930 239 H PHE 975 H PHE 975 -8.277 0.488 -2.754 240 HA PHE 975 HA PHE 975 -6.018 -1.087 -2.153 241 HB2 PHE 975 2HB PHE 975 -5.911 1.306 -1.911 242 HB3 PHE 975 1HB PHE 975 -7.218 1.296 -0.731 243 HD1 PHE 975 HD1 PHE 975 -3.946 -0.481 -1.259 244 HD2 PHE 975 HD2 PHE 975 -6.576 1.503 1.500 245 HE1 PHE 975 HE1 PHE 975 -2.301 -0.824 0.561 246 HE2 PHE 975 HE2 PHE 975 -4.922 1.165 3.320 247 HZ PHE 975 HZ PHE 975 -2.784 -0.002 2.850 248 H LEU 976 H LEU 976 -9.052 -0.547 -0.365 249 HA LEU 976 HA LEU 976 -8.337 -2.053 1.914 250 HB2 LEU 976 2HB LEU 976 -10.892 -1.075 0.731 251 HB3 LEU 976 1HB LEU 976 -11.017 -2.363 1.927 252 HG LEU 976 HG LEU 976 -9.681 -0.973 3.505 253 HD11 LEU 976 1HD1 LEU 976 -9.271 1.375 2.968 254 HD12 LEU 976 2HD1 LEU 976 -10.006 1.154 1.380 255 HD13 LEU 976 3HD1 LEU 976 -8.497 0.341 1.773 256 HD21 LEU 976 3HD2 LEU 976 -11.476 0.800 3.818 257 HD22 LEU 976 1HD2 LEU 976 -12.074 -0.856 3.717 258 HD23 LEU 976 2HD2 LEU 976 -12.204 0.215 2.322 259 H ASP 977 H ASP 977 -9.753 -3.007 -1.189 260 HA ASP 977 HA ASP 977 -10.349 -5.685 -0.468 261 HB2 ASP 977 2HB ASP 977 -11.156 -4.536 -2.547 262 HB3 ASP 977 1HB ASP 977 -9.516 -4.643 -3.185 263 H LEU 978 H LEU 978 -7.503 -4.114 -1.855 264 HA LEU 978 HA LEU 978 -5.912 -6.393 -2.267 265 HB2 LEU 978 2HB LEU 978 -5.363 -4.327 -3.337 266 HB3 LEU 978 1HB LEU 978 -5.230 -3.491 -1.796 267 HG LEU 978 HG LEU 978 -3.242 -4.800 -1.217 268 HD11 LEU 978 1HD1 LEU 978 -2.278 -6.271 -3.089 269 HD12 LEU 978 2HD1 LEU 978 -3.890 -6.235 -3.799 270 HD13 LEU 978 3HD1 LEU 978 -3.646 -6.932 -2.198 271 HD21 LEU 978 3HD2 LEU 978 -1.728 -3.876 -2.857 272 HD22 LEU 978 1HD2 LEU 978 -3.063 -2.743 -2.652 273 HD23 LEU 978 2HD2 LEU 978 -3.011 -3.796 -4.066 274 H LYS 979 H LYS 979 -5.953 -4.128 0.524 275 HA LYS 979 HA LYS 979 -3.938 -5.552 1.941 276 HB2 LYS 979 2HB LYS 979 -4.344 -4.054 3.713 277 HB3 LYS 979 1HB LYS 979 -4.723 -3.116 2.270 278 HG2 LYS 979 2HG LYS 979 -7.121 -3.860 2.586 279 HG3 LYS 979 1HG LYS 979 -6.661 -4.437 4.167 280 HD2 LYS 979 2HD LYS 979 -6.211 -1.596 3.225 281 HD3 LYS 979 1HD LYS 979 -7.627 -2.101 4.142 282 HE2 LYS 979 2HE LYS 979 -4.738 -2.193 5.042 283 HE3 LYS 979 1HE LYS 979 -6.042 -1.213 5.713 284 HZ1 LYS 979 3HZ LYS 979 -5.666 -4.140 5.888 285 HZ2 LYS 979 1HZ LYS 979 -7.177 -3.425 6.164 286 HZ3 LYS 979 2HZ LYS 979 -5.853 -3.018 7.150 287 H GLU 980 H GLU 980 -7.492 -5.581 2.074 288 HA GLU 980 HA GLU 980 -7.812 -7.279 4.243 289 HB2 GLU 980 2HB GLU 980 -9.676 -6.148 3.068 290 HB3 GLU 980 1HB GLU 980 -9.464 -7.245 1.702 291 HG2 GLU 980 2HG GLU 980 -9.973 -9.167 3.117 292 HG3 GLU 980 1HG GLU 980 -10.070 -8.131 4.540 293 H ARG 981 H ARG 981 -7.425 -8.162 0.794 294 HA ARG 981 HA ARG 981 -7.504 -10.956 1.230 295 HB2 ARG 981 2HB ARG 981 -6.287 -9.297 -0.981 296 HB3 ARG 981 1HB ARG 981 -6.328 -11.058 -1.006 297 HG2 ARG 981 2HG ARG 981 -8.791 -11.000 -0.789 298 HG3 ARG 981 1HG ARG 981 -8.743 -9.236 -0.803 299 HD2 ARG 981 2HD ARG 981 -7.701 -11.010 -3.026 300 HD3 ARG 981 1HD ARG 981 -9.260 -10.189 -3.043 301 HE ARG 981 HE ARG 981 -7.463 -8.172 -2.594 302 HH11 ARG 981 1HH2 ARG 981 -7.829 -10.706 -4.918 303 HH12 ARG 981 2HH2 ARG 981 -7.064 -9.832 -6.203 304 HH21 ARG 981 1HH1 ARG 981 -6.457 -7.011 -4.279 305 HH22 ARG 981 2HH1 ARG 981 -6.291 -7.738 -5.841 306 H ALA 982 H ALA 982 -4.713 -8.738 0.880 307 HA ALA 982 HA ALA 982 -2.709 -10.698 1.146 308 HB1 ALA 982 3HB ALA 982 -1.201 -8.867 1.634 309 HB2 ALA 982 1HB ALA 982 -2.556 -7.817 2.035 310 HB3 ALA 982 2HB ALA 982 -2.331 -8.363 0.390 311 H LEU 983 H LEU 983 -4.096 -8.527 3.588 312 HA LEU 983 HA LEU 983 -2.587 -9.543 5.714 313 HB2 LEU 983 2HB LEU 983 -5.088 -7.905 5.501 314 HB3 LEU 983 1HB LEU 983 -4.653 -8.569 7.070 315 HG LEU 983 HG LEU 983 -2.536 -7.432 7.062 316 HD11 LEU 983 1HD1 LEU 983 -3.170 -6.796 4.186 317 HD12 LEU 983 2HD1 LEU 983 -1.745 -7.591 4.836 318 HD13 LEU 983 3HD1 LEU 983 -1.990 -5.869 5.100 319 HD21 LEU 983 3HD2 LEU 983 -4.176 -5.938 7.848 320 HD22 LEU 983 1HD2 LEU 983 -4.898 -5.740 6.253 321 HD23 LEU 983 2HD2 LEU 983 -3.346 -4.995 6.614 322 H SER 984 H SER 984 -5.428 -10.671 4.096 323 HA SER 984 HA SER 984 -6.255 -12.492 6.180 324 HB2 SER 984 2HB SER 984 -7.982 -11.791 4.707 325 HB3 SER 984 1HB SER 984 -7.010 -12.138 3.279 326 HG SER 984 HG SER 984 -7.293 -14.301 4.911 327 H GLY 985 H GLY 985 -3.594 -12.416 4.276 328 HA2 GLY 985 2HA GLY 985 -1.924 -14.052 4.149 329 HA3 GLY 985 1HA GLY 985 -3.101 -15.273 4.620 330 H ALA 986 H ALA 986 -3.710 -13.007 2.011 331 HA ALA 986 HA ALA 986 -4.270 -15.102 0.163 332 HB1 ALA 986 3HB ALA 986 -3.837 -12.147 -0.297 333 HB2 ALA 986 1HB ALA 986 -5.368 -12.962 -0.044 334 HB3 ALA 986 2HB ALA 986 -4.452 -13.278 -1.503 335 H SER 987 H SER 987 -3.154 -15.803 -1.617 336 HA SER 987 HA SER 987 -0.253 -15.324 -1.548 337 HB2 SER 987 2HB SER 987 -1.887 -17.472 -2.919 338 HB3 SER 987 1HB SER 987 -0.132 -17.343 -2.991 339 HG SER 987 HG SER 987 0.002 -17.844 -0.885 340 H ASP 988 H ASP 988 -2.939 -14.174 -3.096 341 HA ASP 988 HA ASP 988 -2.499 -14.094 -5.784 342 HB2 ASP 988 2HB ASP 988 -3.446 -11.959 -3.877 343 HB3 ASP 988 1HB ASP 988 -3.367 -11.651 -5.609 344 HA PRO 989 HA PRO 989 1.453 -12.248 -6.477 345 HB2 PRO 989 2HB PRO 989 0.968 -10.717 -8.745 346 HB3 PRO 989 1HB PRO 989 1.195 -12.474 -8.761 347 HG2 PRO 989 2HG PRO 989 -1.350 -10.906 -8.781 348 HG3 PRO 989 1HG PRO 989 -0.904 -12.341 -9.726 349 HD2 PRO 989 2HD PRO 989 -2.482 -12.548 -7.554 350 HD3 PRO 989 1HD PRO 989 -1.282 -13.803 -7.934 351 H ASP 990 H ASP 990 -1.372 -10.178 -6.368 352 HA ASP 990 HA ASP 990 0.093 -7.738 -5.991 353 HB2 ASP 990 2HB ASP 990 -2.811 -8.451 -5.517 354 HB3 ASP 990 1HB ASP 990 -2.149 -6.828 -5.334 355 H SER 991 H SER 991 -1.127 -10.277 -3.900 356 HA SER 991 HA SER 991 -0.989 -8.772 -1.474 357 HB2 SER 991 2HB SER 991 -2.364 -10.668 -1.341 358 HB3 SER 991 1HB SER 991 -1.165 -11.706 -2.114 359 HG SER 991 HG SER 991 -1.461 -11.751 0.308 360 H GLN 992 H GLN 992 1.194 -11.172 -2.975 361 HA GLN 992 HA GLN 992 3.198 -10.945 -0.974 362 HB2 GLN 992 2HB GLN 992 4.637 -11.775 -3.123 363 HB3 GLN 992 1HB GLN 992 3.614 -12.854 -2.177 364 HG2 GLN 992 2HG GLN 992 1.930 -12.915 -3.773 365 HG3 GLN 992 1HG GLN 992 2.363 -11.353 -4.448 366 HE21 GLN 992 1HE2 GLN 992 5.063 -11.652 -5.041 367 HE22 GLN 992 2HE2 GLN 992 5.277 -12.906 -6.164 368 H ARG 993 H ARG 993 2.665 -9.317 -4.086 369 HA ARG 993 HA ARG 993 5.049 -7.784 -4.057 370 HB2 ARG 993 2HB ARG 993 2.372 -7.394 -5.394 371 HB3 ARG 993 1HB ARG 993 3.690 -6.236 -5.580 372 HG2 ARG 993 2HG ARG 993 5.145 -7.977 -6.477 373 HG3 ARG 993 1HG ARG 993 3.904 -9.200 -6.208 374 HD2 ARG 993 2HD ARG 993 2.400 -7.998 -7.771 375 HD3 ARG 993 1HD ARG 993 3.662 -6.802 -8.048 376 HE ARG 993 HE ARG 993 4.822 -9.246 -8.632 377 HH11 ARG 993 1HH2 ARG 993 2.073 -7.415 -9.654 378 HH12 ARG 993 2HH2 ARG 993 2.106 -8.006 -11.280 379 HH21 ARG 993 1HH1 ARG 993 4.874 -10.032 -10.765 380 HH22 ARG 993 2HH1 ARG 993 3.688 -9.493 -11.908 381 H TYR 994 H TYR 994 1.846 -7.304 -2.666 382 HA TYR 994 HA TYR 994 2.166 -4.619 -1.851 383 HB2 TYR 994 2HB TYR 994 -0.029 -5.652 -1.835 384 HB3 TYR 994 1HB TYR 994 0.504 -6.852 -0.658 385 HD1 TYR 994 HD1 TYR 994 0.473 -3.118 -1.090 386 HD2 TYR 994 HD2 TYR 994 0.007 -6.442 1.593 387 HE1 TYR 994 HE1 TYR 994 -0.100 -1.556 0.748 388 HE2 TYR 994 HE2 TYR 994 -0.573 -4.879 3.427 389 HH TYR 994 HH TYR 994 -0.699 -2.744 4.049 390 H ASN 995 H ASN 995 2.891 -7.703 -0.238 391 HA ASN 995 HA ASN 995 3.739 -6.645 2.235 392 HB2 ASN 995 2HB ASN 995 4.463 -9.145 0.704 393 HB3 ASN 995 1HB ASN 995 5.155 -8.794 2.285 394 HD21 ASN 995 1HD2 ASN 995 2.489 -10.227 0.727 395 HD22 ASN 995 2HD2 ASN 995 1.452 -10.325 2.069 396 H ALA 996 H ALA 996 5.440 -7.307 -0.802 397 HA ALA 996 HA ALA 996 8.015 -6.500 0.082 398 HB1 ALA 996 3HB ALA 996 6.904 -6.336 -2.706 399 HB2 ALA 996 1HB ALA 996 7.588 -7.801 -2.011 400 HB3 ALA 996 2HB ALA 996 8.598 -6.370 -2.255 401 H TRP 997 H TRP 997 5.296 -4.782 -1.387 402 HA TRP 997 HA TRP 997 6.574 -2.373 -1.884 403 HB2 TRP 997 2HB TRP 997 4.264 -2.840 -2.632 404 HB3 TRP 997 1HB TRP 997 3.712 -2.752 -0.959 405 HD1 TRP 997 HD TRP 997 5.435 -0.554 -3.611 406 HE1 TRP 997 HE1 TRP 997 4.844 1.913 -3.129 407 HE3 TRP 997 HE3 TRP 997 2.801 -1.113 0.725 408 HZ2 TRP 997 HZ2 TRP 997 3.434 3.441 -1.159 409 HZ3 TRP 997 HZ3 TRP 997 1.847 0.856 1.881 410 HH2 TRP 997 HH TRP 997 2.158 3.131 0.947 411 H LEU 998 H LEU 998 5.099 -3.647 1.076 412 HA LEU 998 HA LEU 998 5.514 -1.330 2.657 413 HB2 LEU 998 2HB LEU 998 5.326 -4.257 3.420 414 HB3 LEU 998 1HB LEU 998 5.427 -2.949 4.596 415 HG LEU 998 HG LEU 998 3.293 -3.100 2.443 416 HD11 LEU 998 1HD1 LEU 998 1.815 -3.782 4.410 417 HD12 LEU 998 2HD1 LEU 998 3.306 -4.103 5.298 418 HD13 LEU 998 3HD1 LEU 998 2.940 -5.014 3.834 419 HD21 LEU 998 3HD2 LEU 998 3.341 -0.870 3.190 420 HD22 LEU 998 1HD2 LEU 998 3.809 -1.319 4.828 421 HD23 LEU 998 2HD2 LEU 998 2.156 -1.581 4.277 422 H GLU 999 H GLU 999 7.494 -4.165 1.894 423 HA GLU 999 HA GLU 999 9.664 -3.545 3.604 424 HB2 GLU 999 2HB GLU 999 9.441 -5.733 2.485 425 HB3 GLU 999 1HB GLU 999 9.704 -4.974 0.918 426 HG2 GLU 999 2HG GLU 999 11.935 -4.231 1.647 427 HG3 GLU 999 1HG GLU 999 11.674 -4.968 3.226 428 H LEU1000 H LEU1000 8.921 -2.592 0.259 429 HA LEU1000 HA LEU1000 11.280 -1.134 -0.257 430 HB2 LEU1000 2HB LEU1000 8.465 -0.644 -1.285 431 HB3 LEU1000 1HB LEU1000 9.921 0.085 -1.947 432 HG LEU1000 HG LEU1000 9.245 -2.867 -1.909 433 HD11 LEU1000 1HD1 LEU1000 8.051 -1.398 -3.560 434 HD12 LEU1000 2HD1 LEU1000 9.062 -2.637 -4.309 435 HD13 LEU1000 3HD1 LEU1000 9.624 -0.967 -4.231 436 HD21 LEU1000 3HD2 LEU1000 11.770 -1.379 -2.591 437 HD22 LEU1000 1HD2 LEU1000 11.363 -2.849 -3.479 438 HD23 LEU1000 2HD2 LEU1000 11.571 -2.909 -1.733 439 H ARG1001 H ARG1001 8.161 -0.217 1.153 440 HA ARG1001 HA ARG1001 8.663 2.520 1.460 441 HB2 ARG1001 2HB ARG1001 6.456 1.714 1.762 442 HB3 ARG1001 1HB ARG1001 6.950 0.598 3.027 443 HG2 ARG1001 2HG ARG1001 7.389 2.372 4.555 444 HG3 ARG1001 1HG ARG1001 7.293 3.580 3.280 445 HD2 ARG1001 2HD ARG1001 4.892 3.073 2.989 446 HD3 ARG1001 1HD ARG1001 5.002 1.842 4.242 447 HE ARG1001 HE ARG1001 5.076 3.533 5.864 448 HH11 ARG1001 1HH2 ARG1001 5.303 4.795 2.645 449 HH12 ARG1001 2HH2 ARG1001 5.099 6.445 3.131 450 HH21 ARG1001 1HH1 ARG1001 4.811 5.694 6.504 451 HH22 ARG1001 2HH1 ARG1001 4.818 6.954 5.317 452 H ALA1002 H ALA1002 9.376 -0.211 3.577 453 HA ALA1002 HA ALA1002 10.332 1.244 5.765 454 HB1 ALA1002 3HB ALA1002 9.886 -1.236 5.732 455 HB2 ALA1002 1HB ALA1002 11.433 -0.794 6.455 456 HB3 ALA1002 2HB ALA1002 11.378 -1.432 4.812 457 H LYS1003 H LYS1003 11.738 0.337 2.706 458 HA LYS1003 HA LYS1003 14.424 1.109 3.414 459 HB2 LYS1003 2HB LYS1003 13.157 0.553 0.725 460 HB3 LYS1003 1HB LYS1003 14.864 0.905 0.966 461 HG2 LYS1003 2HG LYS1003 15.007 -1.009 2.541 462 HG3 LYS1003 1HG LYS1003 13.325 -1.385 2.210 463 HD2 LYS1003 2HD LYS1003 13.831 -1.734 -0.163 464 HD3 LYS1003 1HD LYS1003 15.520 -1.307 0.121 465 HE2 LYS1003 2HE LYS1003 14.163 -3.564 1.603 466 HE3 LYS1003 1HE LYS1003 14.977 -3.814 0.058 467 HZ1 LYS1003 3HZ LYS1003 16.807 -4.057 1.281 468 HZ2 LYS1003 1HZ LYS1003 16.091 -3.396 2.670 469 HZ3 LYS1003 2HZ LYS1003 16.769 -2.373 1.495 470 H ARG1004 H ARG1004 11.699 2.692 1.789 471 HA ARG1004 HA ARG1004 13.264 5.049 1.139 472 HB2 ARG1004 2HB ARG1004 10.256 4.712 1.074 473 HB3 ARG1004 1HB ARG1004 11.197 5.963 0.267 474 HG2 ARG1004 2HG ARG1004 11.544 3.014 -0.312 475 HG3 ARG1004 1HG ARG1004 10.438 4.041 -1.214 476 HD2 ARG1004 2HD ARG1004 13.447 4.353 -1.009 477 HD3 ARG1004 1HD ARG1004 12.520 3.923 -2.437 478 HE ARG1004 HE ARG1004 11.537 6.382 -1.566 479 HH11 ARG1004 1HH2 ARG1004 14.507 4.997 -2.683 480 HH12 ARG1004 2HH2 ARG1004 15.073 6.463 -3.413 481 HH21 ARG1004 1HH1 ARG1004 12.273 8.301 -2.518 482 HH22 ARG1004 2HH1 ARG1004 13.810 8.335 -3.319 483 H LEU1005 H LEU1005 14.007 5.420 3.360 484 HA LEU1005 HA LEU1005 12.237 6.136 5.454 485 HB2 LEU1005 2HB LEU1005 15.158 6.580 4.901 486 HB3 LEU1005 1HB LEU1005 14.396 7.440 6.238 487 HG LEU1005 HG LEU1005 13.663 5.329 7.229 488 HD11 LEU1005 1HD1 LEU1005 13.265 4.017 5.217 489 HD12 LEU1005 2HD1 LEU1005 14.447 3.175 6.215 490 HD13 LEU1005 3HD1 LEU1005 14.976 4.078 4.796 491 HD21 LEU1005 3HD2 LEU1005 15.816 4.486 7.904 492 HD22 LEU1005 1HD2 LEU1005 16.004 6.217 7.628 493 HD23 LEU1005 2HD2 LEU1005 16.570 5.066 6.419 494 H SER1006 H SER1006 13.847 8.017 2.921 495 HA SER1006 HA SER1006 13.311 10.599 3.694 496 HB2 SER1006 2HB SER1006 14.523 10.226 1.664 497 HB3 SER1006 1HB SER1006 13.177 9.348 0.945 498 HG SER1006 HG SER1006 12.709 11.258 0.182 Start of MODEL 17 1 HA2 GLY 945 2HA GLY 945 -16.790 7.764 9.784 2 HA3 GLY 945 1HA GLY 945 -18.348 7.037 10.182 3 H ALA 946 H ALA 946 -16.877 9.832 8.547 4 HA ALA 946 HA ALA 946 -19.246 10.642 7.191 5 HB1 ALA 946 3HB ALA 946 -16.408 11.130 6.277 6 HB2 ALA 946 1HB ALA 946 -17.162 12.037 7.588 7 HB3 ALA 946 2HB ALA 946 -17.834 12.122 5.959 8 H MET 947 H MET 947 -19.994 10.161 5.162 9 HA MET 947 HA MET 947 -19.495 7.593 4.133 10 HB2 MET 947 2HB MET 947 -20.785 8.457 2.107 11 HB3 MET 947 1HB MET 947 -21.615 8.540 3.661 12 HG2 MET 947 2HG MET 947 -20.948 10.913 3.888 13 HG3 MET 947 1HG MET 947 -20.147 10.833 2.321 14 HE1 MET 947 3HE MET 947 -22.583 10.696 -0.296 15 HE2 MET 947 1HE MET 947 -22.542 9.080 0.419 16 HE3 MET 947 2HE MET 947 -21.074 10.050 0.343 17 H ALA 948 H ALA 948 -18.275 10.772 3.157 18 HA ALA 948 HA ALA 948 -17.116 10.175 0.731 19 HB1 ALA 948 3HB ALA 948 -15.616 12.029 1.123 20 HB2 ALA 948 1HB ALA 948 -15.860 11.906 2.866 21 HB3 ALA 948 2HB ALA 948 -17.187 12.421 1.825 22 H ILE 949 H ILE 949 -15.333 10.122 3.837 23 HA ILE 949 HA ILE 949 -13.840 7.766 2.903 24 HB ILE 949 HB ILE 949 -11.689 8.814 3.499 25 HG12 ILE 949 2HG1 ILE 949 -13.259 11.404 3.671 26 HG13 ILE 949 1HG1 ILE 949 -12.716 10.510 5.089 27 HG21 ILE 949 1HG2 ILE 949 -11.509 10.190 1.513 28 HG22 ILE 949 2HG2 ILE 949 -13.248 10.482 1.506 29 HG23 ILE 949 3HG2 ILE 949 -12.623 8.867 1.165 30 HD11 ILE 949 3HD1 ILE 949 -10.876 11.489 2.889 31 HD12 ILE 949 1HD1 ILE 949 -10.397 10.733 4.410 32 HD13 ILE 949 2HD1 ILE 949 -11.140 12.332 4.414 33 H ALA 950 H ALA 950 -12.789 6.596 4.543 34 HA ALA 950 HA ALA 950 -13.678 7.217 7.312 35 HB1 ALA 950 3HB ALA 950 -13.540 4.553 5.887 36 HB2 ALA 950 1HB ALA 950 -14.976 5.354 6.523 37 HB3 ALA 950 2HB ALA 950 -13.755 4.725 7.629 38 H LEU 951 H LEU 951 -11.089 6.968 5.290 39 HA LEU 951 HA LEU 951 -9.232 5.583 6.999 40 HB2 LEU 951 2HB LEU 951 -9.088 7.100 4.421 41 HB3 LEU 951 1HB LEU 951 -7.593 6.872 5.320 42 HG LEU 951 HG LEU 951 -7.971 4.442 5.337 43 HD11 LEU 951 1HD1 LEU 951 -9.779 3.491 3.971 44 HD12 LEU 951 2HD1 LEU 951 -10.400 5.108 3.705 45 HD13 LEU 951 3HD1 LEU 951 -10.408 4.426 5.322 46 HD21 LEU 951 3HD2 LEU 951 -7.699 4.072 2.877 47 HD22 LEU 951 1HD2 LEU 951 -6.681 5.370 3.500 48 HD23 LEU 951 2HD2 LEU 951 -8.159 5.757 2.620 49 H ARG 952 H ARG 952 -7.475 6.476 8.093 50 HA ARG 952 HA ARG 952 -8.042 9.047 9.356 51 HB2 ARG 952 2HB ARG 952 -5.916 6.943 9.851 52 HB3 ARG 952 1HB ARG 952 -6.071 8.435 10.779 53 HG2 ARG 952 2HG ARG 952 -8.350 7.804 11.450 54 HG3 ARG 952 1HG ARG 952 -8.225 6.323 10.500 55 HD2 ARG 952 2HD ARG 952 -6.319 5.595 11.886 56 HD3 ARG 952 1HD ARG 952 -6.452 7.068 12.844 57 HE ARG 952 HE ARG 952 -8.946 5.731 12.843 58 HH11 ARG 952 1HH2 ARG 952 -5.699 5.445 13.998 59 HH12 ARG 952 2HH2 ARG 952 -6.120 4.458 15.357 60 HH21 ARG 952 1HH1 ARG 952 -9.510 4.450 14.639 61 HH22 ARG 952 2HH1 ARG 952 -8.281 3.925 15.740 62 H ASP 953 H ASP 953 -5.930 10.405 9.768 63 HA ASP 953 HA ASP 953 -5.135 11.499 7.324 64 HB2 ASP 953 2HB ASP 953 -4.077 11.662 10.133 65 HB3 ASP 953 1HB ASP 953 -3.156 12.401 8.828 66 H ASP 954 H ASP 954 -3.460 9.162 9.420 67 HA ASP 954 HA ASP 954 -1.107 8.954 7.852 68 HB2 ASP 954 2HB ASP 954 -2.403 7.119 9.866 69 HB3 ASP 954 1HB ASP 954 -0.862 6.749 9.096 70 H GLU 955 H GLU 955 -4.078 7.024 7.963 71 HA GLU 955 HA GLU 955 -3.308 5.100 6.038 72 HB2 GLU 955 2HB GLU 955 -6.054 6.064 6.855 73 HB3 GLU 955 1HB GLU 955 -5.725 4.615 5.907 74 HG2 GLU 955 2HG GLU 955 -4.564 5.111 8.656 75 HG3 GLU 955 1HG GLU 955 -6.051 4.215 8.377 76 H TYR 956 H TYR 956 -4.974 8.216 5.765 77 HA TYR 956 HA TYR 956 -5.754 7.979 3.062 78 HB2 TYR 956 2HB TYR 956 -6.602 9.746 4.569 79 HB3 TYR 956 1HB TYR 956 -5.005 10.498 4.578 80 HD1 TYR 956 HD1 TYR 956 -7.936 9.648 2.500 81 HD2 TYR 956 HD2 TYR 956 -4.189 11.751 2.657 82 HE1 TYR 956 HE1 TYR 956 -8.503 10.816 0.389 83 HE2 TYR 956 HE2 TYR 956 -4.757 12.917 0.541 84 HH TYR 956 HH TYR 956 -7.013 11.947 -1.550 85 H ASP 957 H ASP 957 -2.808 9.157 4.594 86 HA ASP 957 HA ASP 957 -1.487 10.008 2.236 87 HB2 ASP 957 2HB ASP 957 -0.828 10.574 4.604 88 HB3 ASP 957 1HB ASP 957 -0.206 8.931 4.758 89 H GLU 958 H GLU 958 -1.821 6.938 3.893 90 HA GLU 958 HA GLU 958 0.144 5.484 2.458 91 HB2 GLU 958 2HB GLU 958 -1.027 4.837 4.641 92 HB3 GLU 958 1HB GLU 958 -2.386 4.331 3.640 93 HG2 GLU 958 2HG GLU 958 0.442 3.322 3.239 94 HG3 GLU 958 1HG GLU 958 -0.750 2.484 4.227 95 H TRP 959 H TRP 959 -3.343 5.991 1.962 96 HA TRP 959 HA TRP 959 -3.607 4.237 -0.239 97 HB2 TRP 959 2HB TRP 959 -5.572 4.917 0.939 98 HB3 TRP 959 1HB TRP 959 -5.224 6.619 0.678 99 HD1 TRP 959 HD TRP 959 -5.568 3.568 -1.694 100 HE1 TRP 959 HE1 TRP 959 -7.096 4.275 -3.648 101 HE3 TRP 959 HE3 TRP 959 -6.564 8.350 -0.304 102 HZ2 TRP 959 HZ2 TRP 959 -8.566 6.586 -4.503 103 HZ3 TRP 959 HZ3 TRP 959 -8.022 9.796 -1.693 104 HH2 TRP 959 HH TRP 959 -9.028 8.921 -3.790 105 H GLN 960 H GLN 960 -3.058 7.789 -0.116 106 HA GLN 960 HA GLN 960 -2.957 8.075 -2.934 107 HB2 GLN 960 2HB GLN 960 -1.703 9.732 -0.735 108 HB3 GLN 960 1HB GLN 960 -1.681 10.185 -2.438 109 HG2 GLN 960 2HG GLN 960 -4.215 9.623 -0.877 110 HG3 GLN 960 1HG GLN 960 -3.555 11.236 -1.136 111 HE21 GLN 960 1HE2 GLN 960 -5.785 9.087 -2.391 112 HE22 GLN 960 2HE2 GLN 960 -5.845 9.661 -3.986 113 H ASP 961 H ASP 961 -0.509 7.348 -0.531 114 HA ASP 961 HA ASP 961 1.752 7.566 -2.190 115 HB2 ASP 961 2HB ASP 961 1.213 5.976 0.316 116 HB3 ASP 961 1HB ASP 961 2.788 5.994 -0.472 117 H ILE 962 H ILE 962 -0.425 4.823 -1.530 118 HA ILE 962 HA ILE 962 1.192 2.956 -2.955 119 HB ILE 962 HB ILE 962 -0.911 2.637 -1.259 120 HG12 ILE 962 2HG1 ILE 962 -1.070 0.230 -2.449 121 HG13 ILE 962 1HG1 ILE 962 0.321 0.846 -3.339 122 HG21 ILE 962 1HG2 ILE 962 -2.508 3.479 -3.005 123 HG22 ILE 962 2HG2 ILE 962 -2.894 1.869 -2.422 124 HG23 ILE 962 3HG2 ILE 962 -2.115 2.085 -3.986 125 HD11 ILE 962 3HD1 ILE 962 1.267 -0.240 -1.471 126 HD12 ILE 962 1HD1 ILE 962 0.060 0.422 -0.372 127 HD13 ILE 962 2HD1 ILE 962 1.305 1.469 -1.049 128 H ILE 963 H ILE 963 -1.463 5.110 -3.806 129 HA ILE 963 HA ILE 963 -1.954 4.174 -6.413 130 HB ILE 963 HB ILE 963 -2.169 6.933 -5.196 131 HG12 ILE 963 2HG1 ILE 963 -4.306 4.958 -5.979 132 HG13 ILE 963 1HG1 ILE 963 -3.614 5.024 -4.369 133 HG21 ILE 963 1HG2 ILE 963 -2.019 7.384 -7.513 134 HG22 ILE 963 2HG2 ILE 963 -3.752 7.283 -7.217 135 HG23 ILE 963 3HG2 ILE 963 -2.900 5.922 -7.947 136 HD11 ILE 963 3HD1 ILE 963 -4.793 6.883 -3.809 137 HD12 ILE 963 1HD1 ILE 963 -5.808 6.471 -5.187 138 HD13 ILE 963 2HD1 ILE 963 -4.516 7.656 -5.371 139 H ARG 964 H ARG 964 0.347 6.583 -5.185 140 HA ARG 964 HA ARG 964 1.432 7.347 -7.669 141 HB2 ARG 964 2HB ARG 964 1.863 8.538 -5.528 142 HB3 ARG 964 1HB ARG 964 2.856 7.181 -5.001 143 HG2 ARG 964 2HG ARG 964 4.361 7.512 -6.913 144 HG3 ARG 964 1HG ARG 964 3.359 8.848 -7.484 145 HD2 ARG 964 2HD ARG 964 5.243 9.766 -6.257 146 HD3 ARG 964 1HD ARG 964 3.782 10.014 -5.302 147 HE ARG 964 HE ARG 964 4.991 7.553 -4.573 148 HH11 ARG 964 1HH2 ARG 964 5.427 10.980 -4.371 149 HH12 ARG 964 2HH2 ARG 964 6.280 10.921 -2.865 150 HH21 ARG 964 1HH1 ARG 964 6.109 7.465 -2.609 151 HH22 ARG 964 2HH1 ARG 964 6.672 8.924 -1.866 152 H ASP 965 H ASP 965 2.254 4.743 -5.412 153 HA ASP 965 HA ASP 965 4.558 3.789 -6.709 154 HB2 ASP 965 2HB ASP 965 3.998 3.122 -4.451 155 HB3 ASP 965 1HB ASP 965 2.533 2.322 -5.015 156 H TRP 966 H TRP 966 1.142 2.724 -7.120 157 HA TRP 966 HA TRP 966 1.898 0.772 -9.106 158 HB2 TRP 966 2HB TRP 966 -0.887 1.862 -8.751 159 HB3 TRP 966 1HB TRP 966 -0.394 0.283 -9.353 160 HD1 TRP 966 HD TRP 966 -1.781 1.849 -6.454 161 HE1 TRP 966 HE1 TRP 966 -1.515 0.403 -4.352 162 HE3 TRP 966 HE3 TRP 966 1.755 -1.460 -8.109 163 HZ2 TRP 966 HZ2 TRP 966 0.006 -1.852 -3.471 164 HZ3 TRP 966 HZ3 TRP 966 2.591 -3.246 -6.604 165 HH2 TRP 966 HH TRP 966 1.715 -3.451 -4.293 166 H ARG 967 H ARG 967 1.770 4.073 -9.239 167 HA ARG 967 HA ARG 967 1.646 5.626 -10.925 168 HB2 ARG 967 2HB ARG 967 2.409 3.192 -12.551 169 HB3 ARG 967 1HB ARG 967 2.408 4.843 -13.169 170 HG2 ARG 967 2HG ARG 967 4.015 5.488 -11.384 171 HG3 ARG 967 1HG ARG 967 4.050 3.811 -10.837 172 HD2 ARG 967 2HD ARG 967 4.840 3.117 -13.089 173 HD3 ARG 967 1HD ARG 967 4.869 4.811 -13.578 174 HE ARG 967 HE ARG 967 6.419 4.252 -11.198 175 HH11 ARG 967 1HH2 ARG 967 6.335 4.374 -14.653 176 HH12 ARG 967 2HH2 ARG 967 8.041 4.616 -14.827 177 HH21 ARG 967 1HH1 ARG 967 8.660 4.537 -11.413 178 HH22 ARG 967 2HH1 ARG 967 9.365 4.687 -12.988 179 H LYS 968 H LYS 968 -0.760 3.757 -10.326 180 HA LYS 968 HA LYS 968 -2.397 4.772 -12.550 181 HB2 LYS 968 2HB LYS 968 -3.569 2.661 -12.848 182 HB3 LYS 968 1HB LYS 968 -1.848 2.419 -13.137 183 HG2 LYS 968 2HG LYS 968 -1.574 1.545 -10.874 184 HG3 LYS 968 1HG LYS 968 -3.281 1.789 -10.540 185 HD2 LYS 968 2HD LYS 968 -2.279 0.055 -12.810 186 HD3 LYS 968 1HD LYS 968 -2.592 -0.579 -11.198 187 HE2 LYS 968 2HE LYS 968 -4.945 0.497 -11.460 188 HE3 LYS 968 1HE LYS 968 -4.553 0.581 -13.179 189 HZ1 LYS 968 3HZ LYS 968 -3.837 -1.929 -12.564 190 HZ2 LYS 968 1HZ LYS 968 -5.343 -1.493 -13.214 191 HZ3 LYS 968 2HZ LYS 968 -5.172 -1.710 -11.537 192 H GLU 969 H GLU 969 -4.589 5.092 -11.987 193 HA GLU 969 HA GLU 969 -4.929 5.712 -9.189 194 HB2 GLU 969 2HB GLU 969 -5.719 7.192 -11.023 195 HB3 GLU 969 1HB GLU 969 -6.923 5.973 -11.442 196 HG2 GLU 969 2HG GLU 969 -7.889 6.134 -9.181 197 HG3 GLU 969 1HG GLU 969 -6.669 7.331 -8.744 198 H MET 970 H MET 970 -6.012 4.662 -7.693 199 HA MET 970 HA MET 970 -7.962 2.571 -8.412 200 HB2 MET 970 2HB MET 970 -6.997 1.224 -6.437 201 HB3 MET 970 1HB MET 970 -6.087 1.186 -7.948 202 HG2 MET 970 2HG MET 970 -4.587 2.935 -7.114 203 HG3 MET 970 1HG MET 970 -5.525 3.037 -5.620 204 HE1 MET 970 3HE MET 970 -6.153 0.633 -4.335 205 HE2 MET 970 1HE MET 970 -5.080 1.844 -3.619 206 HE3 MET 970 2HE MET 970 -4.671 0.131 -3.525 207 H THR 971 H THR 971 -9.653 2.420 -6.905 208 HA THR 971 HA THR 971 -10.030 4.775 -5.302 209 HB THR 971 HB THR 971 -12.219 3.803 -4.771 210 HG1 THR 971 HG1 THR 971 -11.091 1.579 -4.955 211 HG21 THR 971 3HG2 THR 971 -11.350 3.562 -7.665 212 HG22 THR 971 1HG2 THR 971 -12.025 4.988 -6.878 213 HG23 THR 971 2HG2 THR 971 -13.032 3.563 -7.134 214 H VAL 972 H VAL 972 -10.861 4.636 -3.092 215 HA VAL 972 HA VAL 972 -8.980 3.505 -1.310 216 HB VAL 972 HB VAL 972 -11.690 4.807 -1.017 217 HG11 VAL 972 1HG1 VAL 972 -10.068 3.373 1.068 218 HG12 VAL 972 2HG1 VAL 972 -11.817 3.481 0.892 219 HG13 VAL 972 3HG1 VAL 972 -10.914 4.853 1.517 220 HG21 VAL 972 3HG2 VAL 972 -9.878 6.307 -1.552 221 HG22 VAL 972 1HG2 VAL 972 -8.837 5.583 -0.327 222 HG23 VAL 972 2HG2 VAL 972 -10.244 6.519 0.160 223 H GLN 973 H GLN 973 -12.267 2.561 -2.287 224 HA GLN 973 HA GLN 973 -12.658 0.470 -0.499 225 HB2 GLN 973 2HB GLN 973 -14.293 1.461 -2.225 226 HB3 GLN 973 1HB GLN 973 -13.561 0.347 -3.379 227 HG2 GLN 973 2HG GLN 973 -15.439 -0.812 -2.480 228 HG3 GLN 973 1HG GLN 973 -14.028 -1.502 -1.681 229 HE21 GLN 973 1HE2 GLN 973 -15.731 1.600 -1.025 230 HE22 GLN 973 2HE2 GLN 973 -16.078 1.229 0.599 231 H GLN 974 H GLN 974 -10.983 0.506 -3.629 232 HA GLN 974 HA GLN 974 -10.461 -2.260 -3.804 233 HB2 GLN 974 2HB GLN 974 -9.228 0.218 -4.973 234 HB3 GLN 974 1HB GLN 974 -8.405 -1.325 -5.180 235 HG2 GLN 974 2HG GLN 974 -10.004 -0.675 -7.037 236 HG3 GLN 974 1HG GLN 974 -10.258 -2.272 -6.346 237 HE21 GLN 974 1HE2 GLN 974 -11.971 0.259 -7.473 238 HE22 GLN 974 2HE2 GLN 974 -13.331 0.201 -6.460 239 H PHE 975 H PHE 975 -8.760 0.394 -2.187 240 HA PHE 975 HA PHE 975 -6.428 -1.034 -1.481 241 HB2 PHE 975 2HB PHE 975 -6.470 1.374 -1.262 242 HB3 PHE 975 1HB PHE 975 -7.787 1.292 -0.101 243 HD1 PHE 975 HD1 PHE 975 -4.306 0.016 -0.638 244 HD2 PHE 975 HD2 PHE 975 -7.297 1.249 2.196 245 HE1 PHE 975 HE1 PHE 975 -2.659 -0.209 1.201 246 HE2 PHE 975 HE2 PHE 975 -5.645 1.020 4.032 247 HZ PHE 975 HZ PHE 975 -3.329 0.291 3.535 248 H LEU 976 H LEU 976 -9.549 -0.628 0.166 249 HA LEU 976 HA LEU 976 -8.870 -2.060 2.509 250 HB2 LEU 976 2HB LEU 976 -11.421 -1.260 1.164 251 HB3 LEU 976 1HB LEU 976 -11.529 -2.517 2.385 252 HG LEU 976 HG LEU 976 -11.970 -0.353 3.389 253 HD11 LEU 976 1HD1 LEU 976 -9.211 -0.816 4.424 254 HD12 LEU 976 2HD1 LEU 976 -10.323 -2.186 4.473 255 HD13 LEU 976 3HD1 LEU 976 -10.740 -0.681 5.289 256 HD21 LEU 976 3HD2 LEU 976 -9.861 1.239 3.491 257 HD22 LEU 976 1HD2 LEU 976 -10.968 1.308 2.125 258 HD23 LEU 976 2HD2 LEU 976 -9.447 0.443 1.985 259 H ASP 977 H ASP 977 -10.253 -3.111 -0.586 260 HA ASP 977 HA ASP 977 -10.606 -5.825 0.202 261 HB2 ASP 977 2HB ASP 977 -11.763 -4.835 -1.741 262 HB3 ASP 977 1HB ASP 977 -10.217 -4.669 -2.569 263 H LEU 978 H LEU 978 -7.990 -4.044 -1.340 264 HA LEU 978 HA LEU 978 -6.368 -6.251 -2.001 265 HB2 LEU 978 2HB LEU 978 -5.987 -4.169 -3.084 266 HB3 LEU 978 1HB LEU 978 -5.751 -3.329 -1.556 267 HG LEU 978 HG LEU 978 -3.905 -5.638 -1.983 268 HD11 LEU 978 1HD1 LEU 978 -3.845 -4.906 -4.255 269 HD12 LEU 978 2HD1 LEU 978 -2.423 -4.207 -3.480 270 HD13 LEU 978 3HD1 LEU 978 -3.846 -3.208 -3.783 271 HD21 LEU 978 3HD2 LEU 978 -2.265 -3.980 -1.146 272 HD22 LEU 978 1HD2 LEU 978 -3.669 -4.085 -0.088 273 HD23 LEU 978 2HD2 LEU 978 -3.507 -2.731 -1.204 274 H LYS 979 H LYS 979 -6.376 -4.130 0.874 275 HA LYS 979 HA LYS 979 -4.139 -5.423 2.070 276 HB2 LYS 979 2HB LYS 979 -4.447 -3.928 3.823 277 HB3 LYS 979 1HB LYS 979 -5.268 -3.065 2.524 278 HG2 LYS 979 2HG LYS 979 -7.418 -4.071 3.284 279 HG3 LYS 979 1HG LYS 979 -6.571 -4.785 4.642 280 HD2 LYS 979 2HD LYS 979 -5.768 -2.377 5.146 281 HD3 LYS 979 1HD LYS 979 -7.066 -1.879 4.055 282 HE2 LYS 979 2HE LYS 979 -8.116 -1.875 6.173 283 HE3 LYS 979 1HE LYS 979 -8.564 -3.452 5.517 284 HZ1 LYS 979 3HZ LYS 979 -7.682 -4.265 7.378 285 HZ2 LYS 979 1HZ LYS 979 -6.908 -2.806 7.765 286 HZ3 LYS 979 2HZ LYS 979 -6.165 -3.902 6.701 287 H GLU 980 H GLU 980 -7.670 -5.740 2.422 288 HA GLU 980 HA GLU 980 -7.750 -7.583 4.487 289 HB2 GLU 980 2HB GLU 980 -9.753 -6.573 3.428 290 HB3 GLU 980 1HB GLU 980 -9.484 -7.577 2.003 291 HG2 GLU 980 2HG GLU 980 -9.735 -9.607 3.371 292 HG3 GLU 980 1HG GLU 980 -9.970 -8.618 4.810 293 H ARG 981 H ARG 981 -7.480 -8.250 0.985 294 HA ARG 981 HA ARG 981 -7.201 -11.046 1.278 295 HB2 ARG 981 2HB ARG 981 -6.407 -9.147 -0.930 296 HB3 ARG 981 1HB ARG 981 -6.181 -10.889 -1.052 297 HG2 ARG 981 2HG ARG 981 -8.886 -9.809 -0.280 298 HG3 ARG 981 1HG ARG 981 -8.398 -9.775 -1.970 299 HD2 ARG 981 2HD ARG 981 -8.403 -12.264 -0.234 300 HD3 ARG 981 1HD ARG 981 -9.668 -11.835 -1.374 301 HE ARG 981 HE ARG 981 -7.233 -11.831 -2.766 302 HH11 ARG 981 1HH2 ARG 981 -9.318 -13.972 -1.033 303 HH12 ARG 981 2HH2 ARG 981 -8.915 -15.366 -1.981 304 HH21 ARG 981 1HH1 ARG 981 -6.682 -13.671 -4.016 305 HH22 ARG 981 2HH1 ARG 981 -7.414 -15.198 -3.651 306 H ALA 982 H ALA 982 -4.736 -8.476 0.958 307 HA ALA 982 HA ALA 982 -2.508 -10.202 0.939 308 HB1 ALA 982 3HB ALA 982 -1.534 -7.896 2.110 309 HB2 ALA 982 1HB ALA 982 -2.988 -7.320 1.298 310 HB3 ALA 982 2HB ALA 982 -1.728 -8.131 0.386 311 H LEU 983 H LEU 983 -3.942 -8.397 3.619 312 HA LEU 983 HA LEU 983 -2.227 -9.419 5.576 313 HB2 LEU 983 2HB LEU 983 -4.851 -7.955 5.603 314 HB3 LEU 983 1HB LEU 983 -4.299 -8.709 7.098 315 HG LEU 983 HG LEU 983 -2.223 -7.450 7.026 316 HD11 LEU 983 1HD1 LEU 983 -3.228 -6.548 4.335 317 HD12 LEU 983 2HD1 LEU 983 -1.688 -7.304 4.722 318 HD13 LEU 983 3HD1 LEU 983 -2.009 -5.646 5.224 319 HD21 LEU 983 3HD2 LEU 983 -3.174 -5.120 7.137 320 HD22 LEU 983 1HD2 LEU 983 -4.083 -6.306 8.074 321 HD23 LEU 983 2HD2 LEU 983 -4.687 -5.771 6.506 322 H SER 984 H SER 984 -5.025 -10.710 4.009 323 HA SER 984 HA SER 984 -5.625 -12.669 6.043 324 HB2 SER 984 2HB SER 984 -7.507 -12.170 4.769 325 HB3 SER 984 1HB SER 984 -6.589 -12.083 3.271 326 HG SER 984 HG SER 984 -6.962 -14.118 2.987 327 H GLY 985 H GLY 985 -3.081 -12.352 3.968 328 HA2 GLY 985 2HA GLY 985 -1.316 -13.906 3.779 329 HA3 GLY 985 1HA GLY 985 -2.438 -15.208 4.152 330 H ALA 986 H ALA 986 -3.278 -12.813 1.744 331 HA ALA 986 HA ALA 986 -3.709 -14.777 -0.262 332 HB1 ALA 986 3HB ALA 986 -3.450 -11.776 -0.466 333 HB2 ALA 986 1HB ALA 986 -4.930 -12.702 -0.325 334 HB3 ALA 986 2HB ALA 986 -3.966 -12.821 -1.785 335 H SER 987 H SER 987 -2.580 -15.263 -2.118 336 HA SER 987 HA SER 987 0.268 -14.444 -2.133 337 HB2 SER 987 2HB SER 987 0.721 -16.525 -3.319 338 HB3 SER 987 1HB SER 987 -0.146 -16.874 -1.826 339 HG SER 987 HG SER 987 -2.085 -16.659 -3.304 340 H ASP 988 H ASP 988 -2.559 -13.649 -3.532 341 HA ASP 988 HA ASP 988 -2.243 -13.711 -6.282 342 HB2 ASP 988 2HB ASP 988 -3.375 -11.598 -4.446 343 HB3 ASP 988 1HB ASP 988 -3.413 -11.413 -6.197 344 HA PRO 989 HA PRO 989 1.478 -11.488 -7.073 345 HB2 PRO 989 2HB PRO 989 0.737 -9.904 -9.268 346 HB3 PRO 989 1HB PRO 989 1.257 -11.597 -9.356 347 HG2 PRO 989 2HG PRO 989 -1.506 -10.470 -9.351 348 HG3 PRO 989 1HG PRO 989 -0.842 -11.828 -10.279 349 HD2 PRO 989 2HD PRO 989 -2.388 -12.249 -8.108 350 HD3 PRO 989 1HD PRO 989 -1.014 -13.315 -8.478 351 H ASP 990 H ASP 990 -1.470 -9.503 -7.135 352 HA ASP 990 HA ASP 990 -0.197 -7.043 -6.507 353 HB2 ASP 990 2HB ASP 990 -3.006 -8.096 -6.364 354 HB3 ASP 990 1HB ASP 990 -2.636 -6.566 -5.570 355 H SER 991 H SER 991 -1.490 -9.678 -4.531 356 HA SER 991 HA SER 991 -1.347 -8.361 -2.037 357 HB2 SER 991 2HB SER 991 -1.190 -11.314 -2.665 358 HB3 SER 991 1HB SER 991 -1.505 -10.616 -1.080 359 HG SER 991 HG SER 991 -3.044 -9.946 -3.348 360 H GLN 992 H GLN 992 0.979 -10.647 -3.556 361 HA GLN 992 HA GLN 992 2.830 -10.445 -1.413 362 HB2 GLN 992 2HB GLN 992 4.497 -11.334 -3.139 363 HB3 GLN 992 1HB GLN 992 3.102 -12.347 -2.770 364 HG2 GLN 992 2HG GLN 992 2.022 -11.802 -4.786 365 HG3 GLN 992 1HG GLN 992 3.045 -10.403 -5.064 366 HE21 GLN 992 1HE2 GLN 992 3.877 -11.136 -7.121 367 HE22 GLN 992 2HE2 GLN 992 4.893 -12.492 -7.249 368 H ARG 993 H ARG 993 2.367 -8.630 -4.391 369 HA ARG 993 HA ARG 993 4.777 -7.133 -4.269 370 HB2 ARG 993 2HB ARG 993 2.099 -6.627 -5.570 371 HB3 ARG 993 1HB ARG 993 3.425 -5.469 -5.676 372 HG2 ARG 993 2HG ARG 993 4.868 -7.134 -6.699 373 HG3 ARG 993 1HG ARG 993 3.645 -8.383 -6.488 374 HD2 ARG 993 2HD ARG 993 2.137 -7.207 -8.007 375 HD3 ARG 993 1HD ARG 993 3.281 -5.877 -8.154 376 HE ARG 993 HE ARG 993 4.641 -8.194 -8.906 377 HH11 ARG 993 1HH2 ARG 993 1.882 -6.349 -9.892 378 HH12 ARG 993 2HH2 ARG 993 2.034 -6.763 -11.566 379 HH21 ARG 993 1HH1 ARG 993 4.842 -8.743 -11.094 380 HH22 ARG 993 2HH1 ARG 993 3.705 -8.128 -12.247 381 H TYR 994 H TYR 994 1.548 -6.673 -2.899 382 HA TYR 994 HA TYR 994 1.948 -4.077 -1.859 383 HB2 TYR 994 2HB TYR 994 -0.287 -4.968 -1.975 384 HB3 TYR 994 1HB TYR 994 0.148 -6.335 -0.953 385 HD1 TYR 994 HD1 TYR 994 0.006 -2.584 -0.948 386 HD2 TYR 994 HD2 TYR 994 -0.102 -6.192 1.375 387 HE1 TYR 994 HE1 TYR 994 -0.547 -1.270 1.084 388 HE2 TYR 994 HE2 TYR 994 -0.657 -4.877 3.399 389 HH TYR 994 HH TYR 994 -1.759 -2.594 3.865 390 H ASN 995 H ASN 995 2.424 -7.307 -0.403 391 HA ASN 995 HA ASN 995 3.269 -6.387 2.119 392 HB2 ASN 995 2HB ASN 995 3.798 -8.906 0.553 393 HB3 ASN 995 1HB ASN 995 4.561 -8.645 2.120 394 HD21 ASN 995 1HD2 ASN 995 1.405 -7.246 1.608 395 HD22 ASN 995 2HD2 ASN 995 0.542 -8.365 2.543 396 H ALA 996 H ALA 996 5.058 -7.023 -0.886 397 HA ALA 996 HA ALA 996 7.637 -6.488 0.144 398 HB1 ALA 996 3HB ALA 996 6.659 -5.922 -2.638 399 HB2 ALA 996 1HB ALA 996 7.190 -7.512 -2.099 400 HB3 ALA 996 2HB ALA 996 8.324 -6.154 -2.139 401 H TRP 997 H TRP 997 5.189 -4.419 -1.389 402 HA TRP 997 HA TRP 997 6.640 -2.068 -1.512 403 HB2 TRP 997 2HB TRP 997 4.399 -2.294 -2.492 404 HB3 TRP 997 1HB TRP 997 3.693 -2.387 -0.880 405 HD1 TRP 997 HD TRP 997 5.725 0.059 -3.064 406 HE1 TRP 997 HE1 TRP 997 5.146 2.464 -2.333 407 HE3 TRP 997 HE3 TRP 997 2.674 -0.942 0.905 408 HZ2 TRP 997 HZ2 TRP 997 3.591 3.783 -0.328 409 HZ3 TRP 997 HZ3 TRP 997 1.655 0.904 2.205 410 HH2 TRP 997 HH TRP 997 2.110 3.263 1.594 411 H LEU 998 H LEU 998 4.868 -3.491 1.216 412 HA LEU 998 HA LEU 998 5.291 -1.324 3.006 413 HB2 LEU 998 2HB LEU 998 4.812 -4.272 3.456 414 HB3 LEU 998 1HB LEU 998 5.022 -3.142 4.789 415 HG LEU 998 HG LEU 998 2.962 -2.774 2.593 416 HD11 LEU 998 1HD1 LEU 998 1.318 -3.614 4.246 417 HD12 LEU 998 2HD1 LEU 998 2.638 -3.997 5.348 418 HD13 LEU 998 3HD1 LEU 998 2.498 -4.851 3.812 419 HD21 LEU 998 3HD2 LEU 998 3.146 -0.679 3.588 420 HD22 LEU 998 1HD2 LEU 998 3.666 -1.332 5.140 421 HD23 LEU 998 2HD2 LEU 998 1.968 -1.405 4.675 422 H GLU 999 H GLU 999 7.141 -4.205 2.161 423 HA GLU 999 HA GLU 999 9.219 -3.862 4.073 424 HB2 GLU 999 2HB GLU 999 8.811 -5.990 2.877 425 HB3 GLU 999 1HB GLU 999 9.309 -5.237 1.359 426 HG2 GLU 999 2HG GLU 999 11.530 -4.819 2.255 427 HG3 GLU 999 1HG GLU 999 11.053 -5.439 3.833 428 H LEU1000 H LEU1000 8.935 -2.856 0.670 429 HA LEU1000 HA LEU1000 11.471 -1.673 0.403 430 HB2 LEU1000 2HB LEU1000 8.847 -0.910 -0.914 431 HB3 LEU1000 1HB LEU1000 10.440 -0.380 -1.448 432 HG LEU1000 HG LEU1000 9.492 -3.260 -1.319 433 HD11 LEU1000 1HD1 LEU1000 10.158 -1.666 -3.790 434 HD12 LEU1000 2HD1 LEU1000 8.525 -1.697 -3.125 435 HD13 LEU1000 3HD1 LEU1000 9.282 -3.191 -3.674 436 HD21 LEU1000 3HD2 LEU1000 12.131 -1.978 -1.962 437 HD22 LEU1000 1HD2 LEU1000 11.668 -3.461 -2.799 438 HD23 LEU1000 2HD2 LEU1000 11.795 -3.448 -1.044 439 H ARG1001 H ARG1001 8.350 -0.444 1.471 440 HA ARG1001 HA ARG1001 9.069 2.242 1.832 441 HB2 ARG1001 2HB ARG1001 6.765 1.572 1.857 442 HB3 ARG1001 1HB ARG1001 7.026 0.515 3.242 443 HG2 ARG1001 2HG ARG1001 7.460 2.374 4.685 444 HG3 ARG1001 1HG ARG1001 7.543 3.481 3.322 445 HD2 ARG1001 2HD ARG1001 5.153 3.074 2.851 446 HD3 ARG1001 1HD ARG1001 5.091 1.922 4.181 447 HE ARG1001 HE ARG1001 6.010 4.473 5.080 448 HH11 ARG1001 1HH2 ARG1001 3.213 2.703 4.070 449 HH12 ARG1001 2HH2 ARG1001 2.109 3.634 5.028 450 HH21 ARG1001 1HH1 ARG1001 4.577 5.687 6.346 451 HH22 ARG1001 2HH1 ARG1001 2.882 5.327 6.322 452 H ALA1002 H ALA1002 9.220 -0.519 4.000 453 HA ALA1002 HA ALA1002 10.032 0.847 6.302 454 HB1 ALA1002 3HB ALA1002 10.261 -1.988 5.335 455 HB2 ALA1002 1HB ALA1002 9.366 -1.352 6.712 456 HB3 ALA1002 2HB ALA1002 11.117 -1.507 6.797 457 H LYS1003 H LYS1003 11.715 -0.325 3.503 458 HA LYS1003 HA LYS1003 14.368 0.080 4.548 459 HB2 LYS1003 2HB LYS1003 13.355 -0.372 1.741 460 HB3 LYS1003 1HB LYS1003 15.064 -0.215 2.145 461 HG2 LYS1003 2HG LYS1003 14.768 -2.087 3.803 462 HG3 LYS1003 1HG LYS1003 13.138 -2.296 3.196 463 HD2 LYS1003 2HD LYS1003 13.971 -2.775 0.956 464 HD3 LYS1003 1HD LYS1003 15.627 -2.470 1.479 465 HE2 LYS1003 2HE LYS1003 13.811 -4.654 2.537 466 HE3 LYS1003 1HE LYS1003 15.167 -4.890 1.438 467 HZ1 LYS1003 3HZ LYS1003 16.631 -3.972 3.153 468 HZ2 LYS1003 1HZ LYS1003 15.820 -5.362 3.692 469 HZ3 LYS1003 2HZ LYS1003 15.306 -3.827 4.207 470 H ARG1004 H ARG1004 12.111 1.994 2.657 471 HA ARG1004 HA ARG1004 13.849 4.028 1.800 472 HB2 ARG1004 2HB ARG1004 10.896 4.047 2.461 473 HB3 ARG1004 1HB ARG1004 11.722 5.412 1.715 474 HG2 ARG1004 2HG ARG1004 11.938 2.666 0.490 475 HG3 ARG1004 1HG ARG1004 10.516 3.653 0.186 476 HD2 ARG1004 2HD ARG1004 11.916 5.447 -0.712 477 HD3 ARG1004 1HD ARG1004 13.374 4.532 -0.354 478 HE ARG1004 HE ARG1004 11.433 3.966 -2.482 479 HH11 ARG1004 1HH2 ARG1004 14.272 3.055 -0.709 480 HH12 ARG1004 2HH2 ARG1004 14.850 1.975 -1.930 481 HH21 ARG1004 1HH1 ARG1004 12.182 2.543 -4.072 482 HH22 ARG1004 2HH1 ARG1004 13.665 1.679 -3.832 483 H LEU1005 H LEU1005 12.163 3.517 4.841 484 HA LEU1005 HA LEU1005 12.559 6.068 5.980 485 HB2 LEU1005 2HB LEU1005 12.288 3.330 7.229 486 HB3 LEU1005 1HB LEU1005 12.326 4.821 8.168 487 HG LEU1005 HG LEU1005 10.341 4.294 5.934 488 HD11 LEU1005 1HD1 LEU1005 8.720 3.846 7.761 489 HD12 LEU1005 2HD1 LEU1005 10.034 3.956 8.931 490 HD13 LEU1005 3HD1 LEU1005 10.027 2.659 7.732 491 HD21 LEU1005 3HD2 LEU1005 9.115 6.122 7.410 492 HD22 LEU1005 1HD2 LEU1005 10.349 6.618 6.260 493 HD23 LEU1005 2HD2 LEU1005 10.745 6.487 7.971 494 H SER1006 H SER1006 14.555 3.136 6.002 495 HA SER1006 HA SER1006 16.610 4.364 7.632 496 HB2 SER1006 2HB SER1006 16.501 2.059 7.978 497 HB3 SER1006 1HB SER1006 16.257 1.714 6.269 498 HG SER1006 HG SER1006 18.344 1.265 6.511 Start of MODEL 18 1 HA2 GLY 945 2HA GLY 945 -21.801 1.156 7.471 2 HA3 GLY 945 1HA GLY 945 -21.103 2.235 6.265 3 H ALA 946 H ALA 946 -20.564 4.263 6.874 4 HA ALA 946 HA ALA 946 -21.922 5.673 8.970 5 HB1 ALA 946 3HB ALA 946 -19.063 4.957 9.597 6 HB2 ALA 946 1HB ALA 946 -20.411 3.977 10.171 7 HB3 ALA 946 2HB ALA 946 -20.278 5.665 10.660 8 H MET 947 H MET 947 -20.689 7.719 9.551 9 HA MET 947 HA MET 947 -20.152 9.181 7.198 10 HB2 MET 947 2HB MET 947 -20.974 10.187 9.305 11 HB3 MET 947 1HB MET 947 -19.413 9.860 10.057 12 HG2 MET 947 2HG MET 947 -18.292 11.293 8.407 13 HG3 MET 947 1HG MET 947 -19.835 11.591 7.604 14 HE1 MET 947 3HE MET 947 -19.644 15.006 8.933 15 HE2 MET 947 1HE MET 947 -20.895 14.067 8.109 16 HE3 MET 947 2HE MET 947 -19.204 13.877 7.652 17 H ALA 948 H ALA 948 -18.063 7.620 9.566 18 HA ALA 948 HA ALA 948 -15.581 8.650 8.868 19 HB1 ALA 948 3HB ALA 948 -14.640 6.621 9.807 20 HB2 ALA 948 1HB ALA 948 -16.170 5.772 9.593 21 HB3 ALA 948 2HB ALA 948 -16.050 7.085 10.761 22 H ILE 949 H ILE 949 -14.015 8.104 7.374 23 HA ILE 949 HA ILE 949 -15.011 6.882 4.907 24 HB ILE 949 HB ILE 949 -12.729 7.678 4.044 25 HG12 ILE 949 2HG1 ILE 949 -11.964 7.954 6.577 26 HG13 ILE 949 1HG1 ILE 949 -11.378 9.054 5.341 27 HG21 ILE 949 1HG2 ILE 949 -13.551 10.091 4.005 28 HG22 ILE 949 2HG2 ILE 949 -14.886 9.551 5.021 29 HG23 ILE 949 3HG2 ILE 949 -14.677 8.872 3.406 30 HD11 ILE 949 3HD1 ILE 949 -13.905 9.782 6.789 31 HD12 ILE 949 1HD1 ILE 949 -12.668 10.825 6.096 32 HD13 ILE 949 2HD1 ILE 949 -12.364 9.984 7.614 33 H ALA 950 H ALA 950 -14.080 5.464 7.497 34 HA ALA 950 HA ALA 950 -13.186 3.422 7.973 35 HB1 ALA 950 3HB ALA 950 -12.846 1.835 6.253 36 HB2 ALA 950 1HB ALA 950 -12.560 3.092 5.055 37 HB3 ALA 950 2HB ALA 950 -14.178 2.853 5.706 38 H LEU 951 H LEU 951 -11.293 5.200 5.601 39 HA LEU 951 HA LEU 951 -8.797 4.153 6.667 40 HB2 LEU 951 2HB LEU 951 -9.586 5.933 4.389 41 HB3 LEU 951 1HB LEU 951 -7.908 5.930 4.935 42 HG LEU 951 HG LEU 951 -7.831 3.476 4.636 43 HD11 LEU 951 1HD1 LEU 951 -10.064 2.767 4.934 44 HD12 LEU 951 2HD1 LEU 951 -9.766 2.532 3.212 45 HD13 LEU 951 3HD1 LEU 951 -10.684 3.933 3.764 46 HD21 LEU 951 3HD2 LEU 951 -8.828 4.926 2.175 47 HD22 LEU 951 1HD2 LEU 951 -7.757 3.531 2.209 48 HD23 LEU 951 2HD2 LEU 951 -7.200 5.084 2.822 49 H ARG 952 H ARG 952 -7.487 5.141 8.057 50 HA ARG 952 HA ARG 952 -8.380 7.615 9.322 51 HB2 ARG 952 2HB ARG 952 -6.154 5.665 9.956 52 HB3 ARG 952 1HB ARG 952 -6.471 7.124 10.892 53 HG2 ARG 952 2HG ARG 952 -8.785 6.329 11.304 54 HG3 ARG 952 1HG ARG 952 -8.419 4.855 10.405 55 HD2 ARG 952 2HD ARG 952 -6.654 4.285 12.010 56 HD3 ARG 952 1HD ARG 952 -6.962 5.776 12.897 57 HE ARG 952 HE ARG 952 -9.385 4.399 12.777 58 HH11 ARG 952 1HH2 ARG 952 -6.176 3.935 13.987 59 HH12 ARG 952 2HH2 ARG 952 -6.673 2.945 15.318 60 HH21 ARG 952 1HH1 ARG 952 -10.045 3.118 14.543 61 HH22 ARG 952 2HH1 ARG 952 -8.858 2.507 15.649 62 H ASP 953 H ASP 953 -6.427 9.122 9.960 63 HA ASP 953 HA ASP 953 -5.558 10.425 7.664 64 HB2 ASP 953 2HB ASP 953 -5.558 11.314 10.046 65 HB3 ASP 953 1HB ASP 953 -4.052 10.430 10.281 66 H ASP 954 H ASP 954 -3.862 8.030 9.658 67 HA ASP 954 HA ASP 954 -1.422 8.058 8.230 68 HB2 ASP 954 2HB ASP 954 -2.733 5.936 9.938 69 HB3 ASP 954 1HB ASP 954 -1.089 5.816 9.311 70 H GLU 955 H GLU 955 -4.342 6.052 7.923 71 HA GLU 955 HA GLU 955 -3.325 4.345 5.897 72 HB2 GLU 955 2HB GLU 955 -6.190 5.089 6.521 73 HB3 GLU 955 1HB GLU 955 -5.677 3.733 5.518 74 HG2 GLU 955 2HG GLU 955 -4.338 2.925 7.538 75 HG3 GLU 955 1HG GLU 955 -5.209 4.134 8.477 76 H TYR 956 H TYR 956 -5.124 7.384 5.809 77 HA TYR 956 HA TYR 956 -5.751 7.498 3.093 78 HB2 TYR 956 2HB TYR 956 -6.617 9.109 4.714 79 HB3 TYR 956 1HB TYR 956 -4.996 9.749 4.972 80 HD1 TYR 956 HD2 TYR 956 -3.859 11.066 3.224 81 HD2 TYR 956 HD1 TYR 956 -7.851 9.570 2.673 82 HE1 TYR 956 HE2 TYR 956 -4.162 12.582 1.286 83 HE2 TYR 956 HE1 TYR 956 -8.150 11.087 0.732 84 HH TYR 956 HH TYR 956 -6.905 12.330 -0.834 85 H ASP 957 H ASP 957 -2.805 8.436 4.803 86 HA ASP 957 HA ASP 957 -1.467 9.590 2.599 87 HB2 ASP 957 2HB ASP 957 -0.759 9.925 4.930 88 HB3 ASP 957 1HB ASP 957 -0.295 8.228 5.038 89 H GLU 958 H GLU 958 -1.588 6.275 3.845 90 HA GLU 958 HA GLU 958 0.339 5.216 2.055 91 HB2 GLU 958 2HB GLU 958 -1.916 3.903 3.581 92 HB3 GLU 958 1HB GLU 958 -0.725 3.010 2.633 93 HG2 GLU 958 2HG GLU 958 1.090 3.942 3.986 94 HG3 GLU 958 1HG GLU 958 -0.065 4.906 4.905 95 H TRP 959 H TRP 959 -3.158 5.709 1.833 96 HA TRP 959 HA TRP 959 -3.522 4.186 -0.538 97 HB2 TRP 959 2HB TRP 959 -5.457 4.691 0.768 98 HB3 TRP 959 1HB TRP 959 -5.129 6.417 0.714 99 HD1 TRP 959 HD TRP 959 -5.682 3.618 -1.914 100 HE1 TRP 959 HE1 TRP 959 -7.223 4.574 -3.751 101 HE3 TRP 959 HE3 TRP 959 -6.300 8.344 -0.140 102 HZ2 TRP 959 HZ2 TRP 959 -8.553 7.038 -4.372 103 HZ3 TRP 959 HZ3 TRP 959 -7.704 9.982 -1.359 104 HH2 TRP 959 HH TRP 959 -8.831 9.338 -3.475 105 H GLN 960 H GLN 960 -2.842 7.649 0.030 106 HA GLN 960 HA GLN 960 -2.883 8.343 -2.729 107 HB2 GLN 960 2HB GLN 960 -1.552 9.639 -0.344 108 HB3 GLN 960 1HB GLN 960 -1.535 10.341 -1.963 109 HG2 GLN 960 2HG GLN 960 -4.073 9.572 -0.504 110 HG3 GLN 960 1HG GLN 960 -3.392 11.197 -0.480 111 HE21 GLN 960 1HE2 GLN 960 -5.506 9.156 -2.204 112 HE22 GLN 960 2HE2 GLN 960 -5.598 10.064 -3.634 113 H ASP 961 H ASP 961 -0.351 7.191 -0.581 114 HA ASP 961 HA ASP 961 1.812 7.585 -2.383 115 HB2 ASP 961 2HB ASP 961 1.380 5.940 0.094 116 HB3 ASP 961 1HB ASP 961 2.812 5.646 -0.883 117 H ILE 962 H ILE 962 -0.456 4.907 -1.868 118 HA ILE 962 HA ILE 962 0.962 3.106 -3.564 119 HB ILE 962 HB ILE 962 -1.059 2.757 -1.773 120 HG12 ILE 962 2HG1 ILE 962 -1.402 0.464 -3.055 121 HG13 ILE 962 1HG1 ILE 962 -0.107 1.071 -4.084 122 HG21 ILE 962 1HG2 ILE 962 -2.712 3.802 -3.338 123 HG22 ILE 962 2HG2 ILE 962 -3.124 2.156 -2.906 124 HG23 ILE 962 3HG2 ILE 962 -2.413 2.512 -4.476 125 HD11 ILE 962 3HD1 ILE 962 0.735 -0.334 -2.207 126 HD12 ILE 962 1HD1 ILE 962 0.079 0.840 -1.069 127 HD13 ILE 962 2HD1 ILE 962 1.376 1.305 -2.163 128 H ILE 963 H ILE 963 -1.564 5.508 -4.046 129 HA ILE 963 HA ILE 963 -2.224 4.881 -6.714 130 HB ILE 963 HB ILE 963 -2.210 7.488 -5.200 131 HG12 ILE 963 2HG1 ILE 963 -4.462 5.720 -6.150 132 HG13 ILE 963 1HG1 ILE 963 -3.772 5.643 -4.541 133 HG21 ILE 963 1HG2 ILE 963 -2.056 8.227 -7.434 134 HG22 ILE 963 2HG2 ILE 963 -3.793 8.180 -7.149 135 HG23 ILE 963 3HG2 ILE 963 -3.011 6.879 -8.047 136 HD11 ILE 963 3HD1 ILE 963 -4.777 7.590 -3.865 137 HD12 ILE 963 1HD1 ILE 963 -5.919 7.179 -5.141 138 HD13 ILE 963 2HD1 ILE 963 -4.636 8.348 -5.450 139 H ARG 964 H ARG 964 0.278 6.987 -5.325 140 HA ARG 964 HA ARG 964 1.358 7.864 -7.787 141 HB2 ARG 964 2HB ARG 964 1.932 8.869 -5.568 142 HB3 ARG 964 1HB ARG 964 2.859 7.417 -5.189 143 HG2 ARG 964 2HG ARG 964 4.258 7.804 -7.206 144 HG3 ARG 964 1HG ARG 964 3.360 9.287 -7.526 145 HD2 ARG 964 2HD ARG 964 5.392 9.891 -6.375 146 HD3 ARG 964 1HD ARG 964 4.058 10.101 -5.243 147 HE ARG 964 HE ARG 964 5.027 7.501 -4.898 148 HH11 ARG 964 1HH2 ARG 964 6.103 10.776 -4.599 149 HH12 ARG 964 2HH2 ARG 964 7.224 10.441 -3.322 150 HH21 ARG 964 1HH1 ARG 964 6.478 7.051 -3.213 151 HH22 ARG 964 2HH1 ARG 964 7.435 8.325 -2.536 152 H ASP 965 H ASP 965 1.990 5.026 -5.763 153 HA ASP 965 HA ASP 965 4.211 3.994 -7.101 154 HB2 ASP 965 2HB ASP 965 3.196 3.158 -4.939 155 HB3 ASP 965 1HB ASP 965 1.996 2.320 -5.921 156 H TRP 966 H TRP 966 0.734 3.392 -7.751 157 HA TRP 966 HA TRP 966 1.365 1.745 -10.066 158 HB2 TRP 966 2HB TRP 966 -1.357 2.872 -9.442 159 HB3 TRP 966 1HB TRP 966 -0.950 1.364 -10.256 160 HD1 TRP 966 HD TRP 966 -2.142 2.594 -7.095 161 HE1 TRP 966 HE1 TRP 966 -1.783 0.907 -5.198 162 HE3 TRP 966 HE3 TRP 966 1.142 -0.593 -9.371 163 HZ2 TRP 966 HZ2 TRP 966 -0.296 -1.483 -4.697 164 HZ3 TRP 966 HZ3 TRP 966 2.011 -2.572 -8.151 165 HH2 TRP 966 HH TRP 966 1.293 -3.020 -5.821 166 H ARG 967 H ARG 967 1.349 5.003 -9.471 167 HA ARG 967 HA ARG 967 1.187 6.897 -10.760 168 HB2 ARG 967 2HB ARG 967 1.958 4.991 -12.987 169 HB3 ARG 967 1HB ARG 967 2.193 6.740 -12.962 170 HG2 ARG 967 2HG ARG 967 3.549 6.347 -10.800 171 HG3 ARG 967 1HG ARG 967 3.567 4.648 -11.274 172 HD2 ARG 967 2HD ARG 967 5.555 5.513 -12.199 173 HD3 ARG 967 1HD ARG 967 4.437 5.498 -13.559 174 HE ARG 967 HE ARG 967 4.572 7.810 -13.599 175 HH11 ARG 967 1HH2 ARG 967 5.513 6.575 -10.510 176 HH12 ARG 967 2HH2 ARG 967 6.034 8.110 -9.896 177 HH21 ARG 967 1HH1 ARG 967 5.245 9.834 -12.800 178 HH22 ARG 967 2HH1 ARG 967 5.895 9.953 -11.199 179 H LYS 968 H LYS 968 -1.176 4.955 -10.582 180 HA LYS 968 HA LYS 968 -2.776 6.264 -12.687 181 HB2 LYS 968 2HB LYS 968 -3.592 4.311 -13.606 182 HB3 LYS 968 1HB LYS 968 -2.015 3.715 -13.105 183 HG2 LYS 968 2HG LYS 968 -3.095 2.973 -10.935 184 HG3 LYS 968 1HG LYS 968 -4.652 3.374 -11.651 185 HD2 LYS 968 2HD LYS 968 -4.092 1.835 -13.561 186 HD3 LYS 968 1HD LYS 968 -2.658 1.335 -12.664 187 HE2 LYS 968 2HE LYS 968 -5.485 1.151 -11.592 188 HE3 LYS 968 1HE LYS 968 -4.613 -0.195 -12.321 189 HZ1 LYS 968 3HZ LYS 968 -3.908 -0.566 -10.249 190 HZ2 LYS 968 1HZ LYS 968 -4.326 0.985 -9.711 191 HZ3 LYS 968 2HZ LYS 968 -2.849 0.736 -10.511 192 H GLU 969 H GLU 969 -5.004 6.517 -12.128 193 HA GLU 969 HA GLU 969 -5.407 6.864 -9.295 194 HB2 GLU 969 2HB GLU 969 -6.277 8.464 -10.985 195 HB3 GLU 969 1HB GLU 969 -7.370 7.214 -11.578 196 HG2 GLU 969 2HG GLU 969 -8.614 8.604 -10.049 197 HG3 GLU 969 1HG GLU 969 -8.332 7.068 -9.237 198 H MET 970 H MET 970 -6.800 5.810 -7.953 199 HA MET 970 HA MET 970 -8.459 3.613 -8.898 200 HB2 MET 970 2HB MET 970 -7.447 1.920 -7.510 201 HB3 MET 970 1HB MET 970 -6.192 2.597 -8.540 202 HG2 MET 970 2HG MET 970 -4.986 2.989 -6.646 203 HG3 MET 970 1HG MET 970 -6.158 4.230 -6.239 204 HE1 MET 970 3HE MET 970 -5.439 0.247 -4.263 205 HE2 MET 970 1HE MET 970 -4.406 1.221 -5.312 206 HE3 MET 970 2HE MET 970 -5.676 0.217 -6.003 207 H THR 971 H THR 971 -9.824 2.758 -7.087 208 HA THR 971 HA THR 971 -10.609 4.981 -5.368 209 HB THR 971 HB THR 971 -12.551 3.590 -4.834 210 HG1 THR 971 HG1 THR 971 -11.889 1.661 -6.666 211 HG21 THR 971 3HG2 THR 971 -11.814 3.686 -7.770 212 HG22 THR 971 1HG2 THR 971 -12.651 4.938 -6.853 213 HG23 THR 971 2HG2 THR 971 -13.442 3.390 -7.159 214 H VAL 972 H VAL 972 -11.117 4.647 -3.119 215 HA VAL 972 HA VAL 972 -8.933 3.593 -1.632 216 HB VAL 972 HB VAL 972 -11.589 4.866 -1.041 217 HG11 VAL 972 1HG1 VAL 972 -9.969 3.259 0.939 218 HG12 VAL 972 2HG1 VAL 972 -11.704 3.185 0.632 219 HG13 VAL 972 3HG1 VAL 972 -11.014 4.586 1.450 220 HG21 VAL 972 3HG2 VAL 972 -9.567 6.224 -1.434 221 HG22 VAL 972 1HG2 VAL 972 -8.748 5.392 -0.114 222 HG23 VAL 972 2HG2 VAL 972 -10.142 6.418 0.222 223 H GLN 973 H GLN 973 -12.263 2.456 -2.246 224 HA GLN 973 HA GLN 973 -12.294 0.250 -0.536 225 HB2 GLN 973 2HB GLN 973 -14.272 1.096 -1.786 226 HB3 GLN 973 1HB GLN 973 -13.589 0.421 -3.266 227 HG2 GLN 973 2HG GLN 973 -13.647 -1.824 -2.320 228 HG3 GLN 973 1HG GLN 973 -14.208 -1.189 -0.773 229 HE21 GLN 973 1HE2 GLN 973 -15.819 0.806 -2.710 230 HE22 GLN 973 2HE2 GLN 973 -17.210 -0.106 -3.045 231 H GLN 974 H GLN 974 -11.135 0.442 -3.909 232 HA GLN 974 HA GLN 974 -10.537 -2.288 -4.223 233 HB2 GLN 974 2HB GLN 974 -9.570 0.263 -5.481 234 HB3 GLN 974 1HB GLN 974 -8.724 -1.236 -5.851 235 HG2 GLN 974 2HG GLN 974 -10.600 -0.633 -7.444 236 HG3 GLN 974 1HG GLN 974 -10.710 -2.243 -6.741 237 HE21 GLN 974 1HE2 GLN 974 -12.609 0.352 -7.498 238 HE22 GLN 974 2HE2 GLN 974 -13.809 0.190 -6.310 239 H PHE 975 H PHE 975 -8.637 0.392 -2.932 240 HA PHE 975 HA PHE 975 -6.230 -1.022 -2.478 241 HB2 PHE 975 2HB PHE 975 -6.314 1.412 -2.441 242 HB3 PHE 975 1HB PHE 975 -7.403 1.380 -1.063 243 HD1 PHE 975 HD1 PHE 975 -4.056 0.156 -2.163 244 HD2 PHE 975 HD2 PHE 975 -6.505 1.444 1.118 245 HE1 PHE 975 HE1 PHE 975 -2.093 0.073 -0.667 246 HE2 PHE 975 HE2 PHE 975 -4.538 1.350 2.625 247 HZ PHE 975 HZ PHE 975 -2.326 0.664 1.732 248 H LEU 976 H LEU 976 -9.062 -0.413 -0.427 249 HA LEU 976 HA LEU 976 -8.114 -1.645 1.897 250 HB2 LEU 976 2HB LEU 976 -10.249 -0.177 1.404 251 HB3 LEU 976 1HB LEU 976 -11.014 -1.721 1.065 252 HG LEU 976 HG LEU 976 -11.513 -1.325 3.318 253 HD11 LEU 976 1HD1 LEU 976 -10.395 -3.032 4.546 254 HD12 LEU 976 2HD1 LEU 976 -8.982 -2.956 3.523 255 HD13 LEU 976 3HD1 LEU 976 -10.503 -3.585 2.884 256 HD21 LEU 976 3HD2 LEU 976 -9.379 -0.822 4.895 257 HD22 LEU 976 1HD2 LEU 976 -10.319 0.451 4.129 258 HD23 LEU 976 2HD2 LEU 976 -8.801 -0.070 3.409 259 H ASP 977 H ASP 977 -9.784 -2.916 -0.966 260 HA ASP 977 HA ASP 977 -10.189 -5.532 0.039 261 HB2 ASP 977 2HB ASP 977 -11.321 -4.631 -1.973 262 HB3 ASP 977 1HB ASP 977 -9.789 -4.679 -2.840 263 H LEU 978 H LEU 978 -7.514 -4.022 -1.738 264 HA LEU 978 HA LEU 978 -5.982 -6.351 -2.146 265 HB2 LEU 978 2HB LEU 978 -5.542 -4.338 -3.392 266 HB3 LEU 978 1HB LEU 978 -5.176 -3.448 -1.920 267 HG LEU 978 HG LEU 978 -3.195 -4.825 -1.526 268 HD11 LEU 978 1HD1 LEU 978 -2.553 -6.421 -3.472 269 HD12 LEU 978 2HD1 LEU 978 -4.267 -6.372 -3.888 270 HD13 LEU 978 3HD1 LEU 978 -3.757 -6.981 -2.313 271 HD21 LEU 978 3HD2 LEU 978 -2.680 -2.955 -2.878 272 HD22 LEU 978 1HD2 LEU 978 -3.522 -3.618 -4.277 273 HD23 LEU 978 2HD2 LEU 978 -1.981 -4.305 -3.766 274 H LYS 979 H LYS 979 -5.812 -3.925 0.491 275 HA LYS 979 HA LYS 979 -3.670 -5.273 1.833 276 HB2 LYS 979 2HB LYS 979 -3.953 -3.652 3.552 277 HB3 LYS 979 1HB LYS 979 -4.383 -2.812 2.065 278 HG2 LYS 979 2HG LYS 979 -6.762 -3.377 2.520 279 HG3 LYS 979 1HG LYS 979 -6.293 -3.978 4.093 280 HD2 LYS 979 2HD LYS 979 -5.693 -1.176 3.108 281 HD3 LYS 979 1HD LYS 979 -7.106 -1.586 4.081 282 HE2 LYS 979 2HE LYS 979 -5.584 -0.906 5.720 283 HE3 LYS 979 1HE LYS 979 -5.339 -2.650 5.719 284 HZ1 LYS 979 3HZ LYS 979 -3.360 -0.926 5.486 285 HZ2 LYS 979 1HZ LYS 979 -3.742 -1.091 3.842 286 HZ3 LYS 979 2HZ LYS 979 -3.317 -2.460 4.756 287 H GLU 980 H GLU 980 -7.223 -5.324 2.196 288 HA GLU 980 HA GLU 980 -7.338 -6.896 4.507 289 HB2 GLU 980 2HB GLU 980 -9.340 -5.904 3.447 290 HB3 GLU 980 1HB GLU 980 -9.174 -7.022 2.093 291 HG2 GLU 980 2HG GLU 980 -9.468 -8.932 3.616 292 HG3 GLU 980 1HG GLU 980 -9.588 -7.833 4.988 293 H ARG 981 H ARG 981 -7.102 -7.855 1.098 294 HA ARG 981 HA ARG 981 -7.043 -10.652 1.535 295 HB2 ARG 981 2HB ARG 981 -6.041 -8.901 -0.711 296 HB3 ARG 981 1HB ARG 981 -5.967 -10.660 -0.766 297 HG2 ARG 981 2HG ARG 981 -8.377 -10.829 -0.537 298 HG3 ARG 981 1HG ARG 981 -8.514 -9.091 -0.281 299 HD2 ARG 981 2HD ARG 981 -9.087 -9.631 -2.596 300 HD3 ARG 981 1HD ARG 981 -7.594 -8.700 -2.547 301 HE ARG 981 HE ARG 981 -7.038 -11.500 -2.531 302 HH11 ARG 981 1HH2 ARG 981 -8.127 -8.875 -4.490 303 HH12 ARG 981 2HH2 ARG 981 -7.505 -9.525 -5.971 304 HH21 ARG 981 1HH1 ARG 981 -6.227 -12.387 -4.488 305 HH22 ARG 981 2HH1 ARG 981 -6.443 -11.516 -5.969 306 H ALA 982 H ALA 982 -4.392 -8.288 1.094 307 HA ALA 982 HA ALA 982 -2.312 -10.184 1.274 308 HB1 ALA 982 3HB ALA 982 -1.737 -7.431 2.236 309 HB2 ALA 982 1HB ALA 982 -2.421 -7.550 0.622 310 HB3 ALA 982 2HB ALA 982 -0.919 -8.377 1.010 311 H LEU 983 H LEU 983 -3.692 -8.061 3.745 312 HA LEU 983 HA LEU 983 -2.044 -8.954 5.864 313 HB2 LEU 983 2HB LEU 983 -4.624 -7.432 5.665 314 HB3 LEU 983 1HB LEU 983 -4.072 -7.997 7.237 315 HG LEU 983 HG LEU 983 -2.039 -6.743 7.081 316 HD11 LEU 983 1HD1 LEU 983 -2.800 -6.285 4.199 317 HD12 LEU 983 2HD1 LEU 983 -1.340 -7.037 4.818 318 HD13 LEU 983 3HD1 LEU 983 -1.597 -5.310 5.025 319 HD21 LEU 983 3HD2 LEU 983 -3.929 -5.398 7.754 320 HD22 LEU 983 1HD2 LEU 983 -4.398 -5.136 6.074 321 HD23 LEU 983 2HD2 LEU 983 -2.912 -4.419 6.696 322 H SER 984 H SER 984 -4.905 -10.216 4.362 323 HA SER 984 HA SER 984 -5.596 -11.994 6.534 324 HB2 SER 984 2HB SER 984 -7.386 -11.299 5.100 325 HB3 SER 984 1HB SER 984 -6.503 -11.790 3.658 326 HG SER 984 HG SER 984 -7.818 -13.334 5.589 327 H GLY 985 H GLY 985 -3.050 -11.960 4.450 328 HA2 GLY 985 2HA GLY 985 -1.380 -13.596 4.296 329 HA3 GLY 985 1HA GLY 985 -2.525 -14.805 4.865 330 H ALA 986 H ALA 986 -3.279 -12.616 2.242 331 HA ALA 986 HA ALA 986 -4.013 -14.695 0.467 332 HB1 ALA 986 3HB ALA 986 -3.438 -11.772 0.033 333 HB2 ALA 986 1HB ALA 986 -4.993 -12.562 0.154 334 HB3 ALA 986 2HB ALA 986 -3.988 -12.838 -1.253 335 H SER 987 H SER 987 -3.031 -15.400 -1.465 336 HA SER 987 HA SER 987 -0.084 -15.124 -1.475 337 HB2 SER 987 2HB SER 987 -0.592 -17.402 -1.157 338 HB3 SER 987 1HB SER 987 -1.918 -17.358 -2.316 339 HG SER 987 HG SER 987 0.861 -17.373 -2.748 340 H ASP 988 H ASP 988 -2.851 -14.171 -3.219 341 HA ASP 988 HA ASP 988 -2.085 -14.429 -5.869 342 HB2 ASP 988 2HB ASP 988 -3.297 -12.232 -6.247 343 HB3 ASP 988 1HB ASP 988 -4.229 -13.462 -5.400 344 HA PRO 989 HA PRO 989 1.737 -12.276 -6.240 345 HB2 PRO 989 2HB PRO 989 1.411 -10.940 -8.672 346 HB3 PRO 989 1HB PRO 989 1.858 -12.646 -8.503 347 HG2 PRO 989 2HG PRO 989 -0.830 -11.449 -9.013 348 HG3 PRO 989 1HG PRO 989 -0.077 -12.880 -9.742 349 HD2 PRO 989 2HD PRO 989 -1.919 -13.148 -7.819 350 HD3 PRO 989 1HD PRO 989 -0.512 -14.228 -7.870 351 H ASP 990 H ASP 990 -1.192 -10.386 -6.743 352 HA ASP 990 HA ASP 990 -0.020 -7.817 -6.407 353 HB2 ASP 990 2HB ASP 990 -2.803 -8.943 -6.199 354 HB3 ASP 990 1HB ASP 990 -2.500 -7.307 -5.630 355 H SER 991 H SER 991 -1.287 -10.236 -4.186 356 HA SER 991 HA SER 991 -1.266 -8.591 -1.863 357 HB2 SER 991 2HB SER 991 -1.429 -11.559 -2.322 358 HB3 SER 991 1HB SER 991 -1.349 -10.882 -0.697 359 HG SER 991 HG SER 991 -3.100 -9.439 -1.992 360 H GLN 992 H GLN 992 0.975 -11.199 -2.917 361 HA GLN 992 HA GLN 992 2.769 -10.785 -0.765 362 HB2 GLN 992 2HB GLN 992 4.449 -11.907 -2.424 363 HB3 GLN 992 1HB GLN 992 3.079 -12.841 -1.824 364 HG2 GLN 992 2HG GLN 992 1.881 -12.608 -3.835 365 HG3 GLN 992 1HG GLN 992 2.887 -11.281 -4.393 366 HE21 GLN 992 1HE2 GLN 992 4.364 -11.917 -5.966 367 HE22 GLN 992 2HE2 GLN 992 5.044 -13.468 -6.096 368 H ARG 993 H ARG 993 2.536 -9.399 -3.995 369 HA ARG 993 HA ARG 993 4.963 -7.951 -3.956 370 HB2 ARG 993 2HB ARG 993 2.343 -7.500 -5.391 371 HB3 ARG 993 1HB ARG 993 3.755 -6.479 -5.649 372 HG2 ARG 993 2HG ARG 993 4.057 -9.469 -5.878 373 HG3 ARG 993 1HG ARG 993 3.328 -8.575 -7.213 374 HD2 ARG 993 2HD ARG 993 5.301 -7.165 -7.409 375 HD3 ARG 993 1HD ARG 993 6.023 -7.907 -5.991 376 HE ARG 993 HE ARG 993 6.582 -9.769 -7.284 377 HH11 ARG 993 1HH2 ARG 993 4.441 -7.630 -8.966 378 HH12 ARG 993 2HH2 ARG 993 4.651 -8.403 -10.501 379 HH21 ARG 993 1HH1 ARG 993 6.865 -10.782 -9.287 380 HH22 ARG 993 2HH1 ARG 993 6.024 -10.198 -10.681 381 H TYR 994 H TYR 994 1.677 -7.176 -2.862 382 HA TYR 994 HA TYR 994 2.152 -4.487 -2.160 383 HB2 TYR 994 2HB TYR 994 -0.108 -5.305 -2.287 384 HB3 TYR 994 1HB TYR 994 0.205 -6.525 -1.055 385 HD1 TYR 994 HD1 TYR 994 0.260 -2.818 -1.605 386 HD2 TYR 994 HD2 TYR 994 -0.188 -6.032 1.204 387 HE1 TYR 994 HE1 TYR 994 -0.350 -1.192 0.167 388 HE2 TYR 994 HE2 TYR 994 -0.808 -4.410 2.970 389 HH TYR 994 HH TYR 994 -1.772 -2.093 3.077 390 H ASN 995 H ASN 995 2.376 -7.487 -0.262 391 HA ASN 995 HA ASN 995 3.149 -6.355 2.185 392 HB2 ASN 995 2HB ASN 995 3.848 -9.006 0.903 393 HB3 ASN 995 1HB ASN 995 4.250 -8.598 2.571 394 HD21 ASN 995 1HD2 ASN 995 2.224 -10.589 1.292 395 HD22 ASN 995 2HD2 ASN 995 0.785 -10.262 2.131 396 H ALA 996 H ALA 996 5.015 -7.305 -0.668 397 HA ALA 996 HA ALA 996 7.597 -6.794 0.388 398 HB1 ALA 996 3HB ALA 996 6.773 -6.436 -2.479 399 HB2 ALA 996 1HB ALA 996 7.053 -8.024 -1.778 400 HB3 ALA 996 2HB ALA 996 8.364 -6.838 -1.867 401 H TRP 997 H TRP 997 5.303 -4.786 -1.433 402 HA TRP 997 HA TRP 997 6.899 -2.543 -1.758 403 HB2 TRP 997 2HB TRP 997 4.766 -2.619 -2.871 404 HB3 TRP 997 1HB TRP 997 3.907 -2.773 -1.342 405 HD1 TRP 997 HD TRP 997 6.177 -0.222 -3.165 406 HE1 TRP 997 HE1 TRP 997 5.437 2.148 -2.460 407 HE3 TRP 997 HE3 TRP 997 2.562 -1.403 0.237 408 HZ2 TRP 997 HZ2 TRP 997 3.546 3.375 -0.697 409 HZ3 TRP 997 HZ3 TRP 997 1.304 0.377 1.411 410 HH2 TRP 997 HH TRP 997 1.793 2.765 0.952 411 H LEU 998 H LEU 998 4.895 -3.551 0.992 412 HA LEU 998 HA LEU 998 5.373 -1.253 2.596 413 HB2 LEU 998 2HB LEU 998 4.713 -4.112 3.344 414 HB3 LEU 998 1HB LEU 998 4.801 -2.798 4.512 415 HG LEU 998 HG LEU 998 3.005 -2.749 2.075 416 HD11 LEU 998 1HD1 LEU 998 2.298 -4.591 3.479 417 HD12 LEU 998 2HD1 LEU 998 1.177 -3.251 3.719 418 HD13 LEU 998 3HD1 LEU 998 2.414 -3.589 4.926 419 HD21 LEU 998 3HD2 LEU 998 3.233 -0.517 2.810 420 HD22 LEU 998 1HD2 LEU 998 3.365 -0.986 4.504 421 HD23 LEU 998 2HD2 LEU 998 1.805 -1.053 3.686 422 H GLU 999 H GLU 999 7.044 -4.336 2.175 423 HA GLU 999 HA GLU 999 8.977 -3.992 4.200 424 HB2 GLU 999 2HB GLU 999 8.540 -6.150 3.057 425 HB3 GLU 999 1HB GLU 999 9.255 -5.505 1.575 426 HG2 GLU 999 2HG GLU 999 11.394 -5.178 2.717 427 HG3 GLU 999 1HG GLU 999 10.688 -5.705 4.245 428 H LEU1000 H LEU1000 9.010 -3.127 0.749 429 HA LEU1000 HA LEU1000 11.632 -2.086 0.676 430 HB2 LEU1000 2HB LEU1000 9.201 -1.241 -0.939 431 HB3 LEU1000 1HB LEU1000 10.865 -0.818 -1.316 432 HG LEU1000 HG LEU1000 9.619 -3.579 -1.357 433 HD11 LEU1000 1HD1 LEU1000 9.325 -1.926 -3.291 434 HD12 LEU1000 2HD1 LEU1000 10.012 -3.497 -3.704 435 HD13 LEU1000 3HD1 LEU1000 11.061 -2.088 -3.550 436 HD21 LEU1000 3HD2 LEU1000 12.505 -2.713 -1.405 437 HD22 LEU1000 1HD2 LEU1000 11.999 -4.162 -2.277 438 HD23 LEU1000 2HD2 LEU1000 11.764 -4.059 -0.536 439 H ARG1001 H ARG1001 8.488 -0.631 1.399 440 HA ARG1001 HA ARG1001 9.341 2.026 1.655 441 HB2 ARG1001 2HB ARG1001 7.005 1.579 1.566 442 HB3 ARG1001 1HB ARG1001 7.079 0.495 2.949 443 HG2 ARG1001 2HG ARG1001 7.537 2.312 4.449 444 HG3 ARG1001 1HG ARG1001 7.800 3.421 3.113 445 HD2 ARG1001 2HD ARG1001 5.435 3.256 2.482 446 HD3 ARG1001 1HD ARG1001 5.173 2.039 3.726 447 HE ARG1001 HE ARG1001 5.211 3.734 5.344 448 HH11 ARG1001 1HH2 ARG1001 6.159 4.895 2.226 449 HH12 ARG1001 2HH2 ARG1001 6.147 6.563 2.691 450 HH21 ARG1001 1HH1 ARG1001 5.226 5.920 5.968 451 HH22 ARG1001 2HH1 ARG1001 5.613 7.143 4.804 452 H ALA1002 H ALA1002 9.013 -0.512 4.111 453 HA ALA1002 HA ALA1002 9.868 1.032 6.283 454 HB1 ALA1002 3HB ALA1002 8.796 -1.114 6.635 455 HB2 ALA1002 1HB ALA1002 10.408 -1.168 7.347 456 HB3 ALA1002 2HB ALA1002 10.103 -1.945 5.793 457 H LYS1003 H LYS1003 11.603 -0.619 3.752 458 HA LYS1003 HA LYS1003 14.179 -0.540 4.997 459 HB2 LYS1003 2HB LYS1003 13.471 -0.711 2.057 460 HB3 LYS1003 1HB LYS1003 15.069 -0.982 2.740 461 HG2 LYS1003 2HG LYS1003 13.105 -2.605 4.170 462 HG3 LYS1003 1HG LYS1003 12.971 -2.904 2.444 463 HD2 LYS1003 2HD LYS1003 15.626 -2.953 3.902 464 HD3 LYS1003 1HD LYS1003 14.614 -4.383 3.721 465 HE2 LYS1003 2HE LYS1003 14.645 -3.884 1.194 466 HE3 LYS1003 1HE LYS1003 15.966 -2.772 1.548 467 HZ1 LYS1003 3HZ LYS1003 15.897 -5.679 1.664 468 HZ2 LYS1003 1HZ LYS1003 16.790 -4.899 2.877 469 HZ3 LYS1003 2HZ LYS1003 17.173 -4.639 1.241 470 H ARG1004 H ARG1004 12.438 1.652 2.826 471 HA ARG1004 HA ARG1004 14.452 3.419 2.138 472 HB2 ARG1004 2HB ARG1004 11.575 4.051 2.819 473 HB3 ARG1004 1HB ARG1004 12.672 5.165 2.011 474 HG2 ARG1004 2HG ARG1004 12.082 2.410 0.912 475 HG3 ARG1004 1HG ARG1004 11.099 3.809 0.503 476 HD2 ARG1004 2HD ARG1004 13.238 4.956 -0.249 477 HD3 ARG1004 1HD ARG1004 14.048 3.406 -0.065 478 HE ARG1004 HE ARG1004 11.695 3.235 -1.712 479 HH11 ARG1004 1HH2 ARG1004 15.043 4.087 -1.568 480 HH12 ARG1004 2HH2 ARG1004 15.352 3.731 -3.234 481 HH21 ARG1004 1HH1 ARG1004 12.083 2.781 -3.909 482 HH22 ARG1004 2HH1 ARG1004 13.669 3.013 -4.566 483 H LEU1005 H LEU1005 13.368 2.763 5.293 484 HA LEU1005 HA LEU1005 13.612 5.298 6.498 485 HB2 LEU1005 2HB LEU1005 14.130 2.537 7.624 486 HB3 LEU1005 1HB LEU1005 14.079 4.004 8.597 487 HG LEU1005 HG LEU1005 11.802 3.057 6.833 488 HD11 LEU1005 1HD1 LEU1005 10.723 2.460 9.024 489 HD12 LEU1005 2HD1 LEU1005 12.270 2.762 9.813 490 HD13 LEU1005 3HD1 LEU1005 12.121 1.460 8.633 491 HD21 LEU1005 3HD2 LEU1005 11.400 5.340 7.131 492 HD22 LEU1005 1HD2 LEU1005 12.219 5.392 8.691 493 HD23 LEU1005 2HD2 LEU1005 10.606 4.695 8.560 494 H SER1006 H SER1006 16.019 2.765 5.878 495 HA SER1006 HA SER1006 18.191 4.065 7.152 496 HB2 SER1006 2HB SER1006 18.094 2.016 4.931 497 HB3 SER1006 1HB SER1006 19.589 2.567 5.685 498 HG SER1006 HG SER1006 17.546 1.815 7.400 Start of MODEL 19 1 HA2 GLY 945 2HA GLY 945 -23.211 6.018 13.404 2 HA3 GLY 945 1HA GLY 945 -23.141 6.259 11.657 3 H ALA 946 H ALA 946 -20.153 5.639 13.227 4 HA ALA 946 HA ALA 946 -18.634 3.933 12.912 5 HB1 ALA 946 3HB ALA 946 -19.252 1.919 13.965 6 HB2 ALA 946 1HB ALA 946 -20.942 2.082 13.488 7 HB3 ALA 946 2HB ALA 946 -20.272 3.132 14.736 8 H MET 947 H MET 947 -18.627 1.467 11.943 9 HA MET 947 HA MET 947 -18.650 0.181 10.047 10 HB2 MET 947 2HB MET 947 -21.169 0.539 10.316 11 HB3 MET 947 1HB MET 947 -21.016 1.786 9.081 12 HG2 MET 947 2HG MET 947 -20.026 0.141 7.533 13 HG3 MET 947 1HG MET 947 -20.187 -1.112 8.763 14 HE1 MET 947 3HE MET 947 -22.875 -2.085 6.158 15 HE2 MET 947 1HE MET 947 -21.665 -2.723 7.280 16 HE3 MET 947 2HE MET 947 -21.196 -1.571 6.034 17 H ALA 948 H ALA 948 -19.000 3.664 9.604 18 HA ALA 948 HA ALA 948 -17.658 3.539 6.990 19 HB1 ALA 948 3HB ALA 948 -19.638 4.987 7.210 20 HB2 ALA 948 1HB ALA 948 -18.193 5.931 6.852 21 HB3 ALA 948 2HB ALA 948 -18.834 5.890 8.494 22 H ILE 949 H ILE 949 -15.552 2.990 7.599 23 HA ILE 949 HA ILE 949 -14.121 4.395 9.641 24 HB ILE 949 HB ILE 949 -12.096 3.322 8.413 25 HG12 ILE 949 2HG1 ILE 949 -13.798 2.963 6.342 26 HG13 ILE 949 1HG1 ILE 949 -12.454 1.870 6.646 27 HG21 ILE 949 1HG2 ILE 949 -12.858 2.400 10.469 28 HG22 ILE 949 2HG2 ILE 949 -12.756 1.046 9.343 29 HG23 ILE 949 3HG2 ILE 949 -14.322 1.757 9.727 30 HD11 ILE 949 3HD1 ILE 949 -13.841 0.208 7.559 31 HD12 ILE 949 1HD1 ILE 949 -14.814 0.850 6.236 32 HD13 ILE 949 2HD1 ILE 949 -15.150 1.338 7.897 33 H ALA 950 H ALA 950 -14.590 4.822 6.198 34 HA ALA 950 HA ALA 950 -13.796 6.401 4.715 35 HB1 ALA 950 3HB ALA 950 -14.001 8.699 5.523 36 HB2 ALA 950 1HB ALA 950 -14.015 8.129 7.191 37 HB3 ALA 950 2HB ALA 950 -15.349 7.726 6.109 38 H LEU 951 H LEU 951 -11.809 4.962 6.555 39 HA LEU 951 HA LEU 951 -9.552 4.944 6.941 40 HB2 LEU 951 2HB LEU 951 -9.898 6.534 4.434 41 HB3 LEU 951 1HB LEU 951 -8.301 6.530 5.177 42 HG LEU 951 HG LEU 951 -8.273 4.072 5.130 43 HD11 LEU 951 1HD1 LEU 951 -10.615 3.562 5.372 44 HD12 LEU 951 2HD1 LEU 951 -10.102 2.923 3.811 45 HD13 LEU 951 3HD1 LEU 951 -11.010 4.430 3.891 46 HD21 LEU 951 3HD2 LEU 951 -8.375 3.824 2.581 47 HD22 LEU 951 1HD2 LEU 951 -7.323 5.099 3.195 48 HD23 LEU 951 2HD2 LEU 951 -8.912 5.504 2.547 49 H ARG 952 H ARG 952 -7.839 6.058 7.927 50 HA ARG 952 HA ARG 952 -8.642 8.571 9.235 51 HB2 ARG 952 2HB ARG 952 -6.435 6.583 9.834 52 HB3 ARG 952 1HB ARG 952 -6.704 8.076 10.735 53 HG2 ARG 952 2HG ARG 952 -8.949 7.341 11.359 54 HG3 ARG 952 1HG ARG 952 -8.766 5.880 10.385 55 HD2 ARG 952 2HD ARG 952 -8.332 5.355 12.731 56 HD3 ARG 952 1HD ARG 952 -6.843 5.205 11.802 57 HE ARG 952 HE ARG 952 -5.981 7.056 12.941 58 HH11 ARG 952 1HH2 ARG 952 -9.359 6.620 13.553 59 HH12 ARG 952 2HH2 ARG 952 -9.414 7.762 14.853 60 HH21 ARG 952 1HH1 ARG 952 -6.044 8.556 14.648 61 HH22 ARG 952 2HH1 ARG 952 -7.537 8.857 15.472 62 H ASP 953 H ASP 953 -6.635 10.041 9.703 63 HA ASP 953 HA ASP 953 -5.777 11.119 7.260 64 HB2 ASP 953 2HB ASP 953 -5.833 12.428 9.332 65 HB3 ASP 953 1HB ASP 953 -4.536 11.440 10.002 66 H ASP 954 H ASP 954 -4.058 9.026 9.573 67 HA ASP 954 HA ASP 954 -1.614 8.925 8.146 68 HB2 ASP 954 2HB ASP 954 -2.892 7.053 10.143 69 HB3 ASP 954 1HB ASP 954 -1.286 6.779 9.472 70 H GLU 955 H GLU 955 -4.493 6.882 8.121 71 HA GLU 955 HA GLU 955 -3.507 4.946 6.289 72 HB2 GLU 955 2HB GLU 955 -6.344 5.748 6.974 73 HB3 GLU 955 1HB GLU 955 -5.876 4.291 6.097 74 HG2 GLU 955 2HG GLU 955 -4.825 4.971 8.850 75 HG3 GLU 955 1HG GLU 955 -6.245 3.962 8.591 76 H TYR 956 H TYR 956 -5.277 7.969 5.934 77 HA TYR 956 HA TYR 956 -5.981 7.759 3.223 78 HB2 TYR 956 2HB TYR 956 -6.895 9.515 4.636 79 HB3 TYR 956 1HB TYR 956 -5.287 10.198 4.879 80 HD1 TYR 956 HD1 TYR 956 -8.037 9.710 2.460 81 HD2 TYR 956 HD2 TYR 956 -4.161 11.441 3.123 82 HE1 TYR 956 HE1 TYR 956 -8.285 11.061 0.394 83 HE2 TYR 956 HE2 TYR 956 -4.408 12.790 1.059 84 HH TYR 956 HH TYR 956 -5.623 13.029 -0.844 85 H ASP 957 H ASP 957 -3.068 8.966 4.815 86 HA ASP 957 HA ASP 957 -1.719 9.846 2.489 87 HB2 ASP 957 2HB ASP 957 -1.117 10.351 4.912 88 HB3 ASP 957 1HB ASP 957 -0.395 8.744 4.972 89 H GLU 958 H GLU 958 -1.934 6.725 4.115 90 HA GLU 958 HA GLU 958 0.088 5.400 2.637 91 HB2 GLU 958 2HB GLU 958 -0.875 4.535 4.756 92 HB3 GLU 958 1HB GLU 958 -2.391 4.220 3.912 93 HG2 GLU 958 2HG GLU 958 -1.235 2.681 2.377 94 HG3 GLU 958 1HG GLU 958 0.296 3.010 3.188 95 H TRP 959 H TRP 959 -3.406 5.798 2.120 96 HA TRP 959 HA TRP 959 -3.574 4.095 -0.139 97 HB2 TRP 959 2HB TRP 959 -5.590 4.654 1.011 98 HB3 TRP 959 1HB TRP 959 -5.290 6.380 0.839 99 HD1 TRP 959 HD TRP 959 -5.535 3.412 -1.652 100 HE1 TRP 959 HE1 TRP 959 -7.019 4.171 -3.622 101 HE3 TRP 959 HE3 TRP 959 -6.590 8.156 -0.147 102 HZ2 TRP 959 HZ2 TRP 959 -8.473 6.503 -4.440 103 HZ3 TRP 959 HZ3 TRP 959 -8.024 9.633 -1.529 104 HH2 TRP 959 HH TRP 959 -8.965 8.815 -3.675 105 H GLN 960 H GLN 960 -3.117 7.629 0.159 106 HA GLN 960 HA GLN 960 -2.992 8.085 -2.637 107 HB2 GLN 960 2HB GLN 960 -1.874 9.633 -0.291 108 HB3 GLN 960 1HB GLN 960 -1.775 10.204 -1.957 109 HG2 GLN 960 2HG GLN 960 -4.371 9.449 -0.590 110 HG3 GLN 960 1HG GLN 960 -3.756 11.099 -0.679 111 HE21 GLN 960 1HE2 GLN 960 -5.768 8.911 -2.271 112 HE22 GLN 960 2HE2 GLN 960 -5.780 9.645 -3.802 113 H ASP 961 H ASP 961 -0.616 7.191 -0.235 114 HA ASP 961 HA ASP 961 1.697 7.540 -1.822 115 HB2 ASP 961 2HB ASP 961 1.111 5.811 0.580 116 HB3 ASP 961 1HB ASP 961 2.700 5.884 -0.175 117 H ILE 962 H ILE 962 -0.519 4.785 -1.398 118 HA ILE 962 HA ILE 962 1.131 2.983 -2.871 119 HB ILE 962 HB ILE 962 -1.003 2.583 -1.246 120 HG12 ILE 962 2HG1 ILE 962 -0.183 0.784 -3.548 121 HG13 ILE 962 1HG1 ILE 962 0.595 0.859 -1.972 122 HG21 ILE 962 1HG2 ILE 962 -2.565 3.525 -2.981 123 HG22 ILE 962 2HG2 ILE 962 -2.965 1.897 -2.483 124 HG23 ILE 962 3HG2 ILE 962 -2.153 2.181 -4.019 125 HD11 ILE 962 3HD1 ILE 962 -2.160 -0.167 -2.652 126 HD12 ILE 962 1HD1 ILE 962 -1.740 0.306 -1.005 127 HD13 ILE 962 2HD1 ILE 962 -0.858 -0.996 -1.800 128 H ILE 963 H ILE 963 -1.476 5.201 -3.667 129 HA ILE 963 HA ILE 963 -1.852 4.438 -6.364 130 HB ILE 963 HB ILE 963 -2.205 7.099 -4.965 131 HG12 ILE 963 2HG1 ILE 963 -4.210 5.063 -5.927 132 HG13 ILE 963 1HG1 ILE 963 -3.615 5.135 -4.282 133 HG21 ILE 963 1HG2 ILE 963 -1.938 7.628 -7.281 134 HG22 ILE 963 2HG2 ILE 963 -3.677 7.584 -7.003 135 HG23 ILE 963 3HG2 ILE 963 -2.873 6.221 -7.784 136 HD11 ILE 963 3HD1 ILE 963 -4.747 7.104 -3.817 137 HD12 ILE 963 1HD1 ILE 963 -5.860 6.341 -4.948 138 HD13 ILE 963 2HD1 ILE 963 -4.775 7.617 -5.505 139 H ARG 964 H ARG 964 0.320 6.747 -4.801 140 HA ARG 964 HA ARG 964 1.544 7.760 -7.134 141 HB2 ARG 964 2HB ARG 964 1.799 8.782 -4.883 142 HB3 ARG 964 1HB ARG 964 2.768 7.397 -4.385 143 HG2 ARG 964 2HG ARG 964 4.410 7.897 -6.157 144 HG3 ARG 964 1HG ARG 964 3.438 9.275 -6.670 145 HD2 ARG 964 2HD ARG 964 5.273 10.015 -5.215 146 HD3 ARG 964 1HD ARG 964 3.718 10.298 -4.439 147 HE ARG 964 HE ARG 964 4.257 8.673 -2.848 148 HH11 ARG 964 1HH2 ARG 964 6.483 8.655 -5.502 149 HH12 ARG 964 2HH2 ARG 964 7.606 7.589 -4.726 150 HH21 ARG 964 1HH1 ARG 964 5.730 7.288 -1.826 151 HH22 ARG 964 2HH1 ARG 964 7.182 6.817 -2.644 152 H ASP 965 H ASP 965 2.224 4.955 -5.088 153 HA ASP 965 HA ASP 965 4.643 4.149 -6.245 154 HB2 ASP 965 2HB ASP 965 3.575 3.209 -4.161 155 HB3 ASP 965 1HB ASP 965 2.497 2.292 -5.211 156 H TRP 966 H TRP 966 1.284 3.274 -7.143 157 HA TRP 966 HA TRP 966 2.192 1.668 -9.375 158 HB2 TRP 966 2HB TRP 966 -0.610 2.707 -8.985 159 HB3 TRP 966 1HB TRP 966 -0.096 1.256 -9.843 160 HD1 TRP 966 HD TRP 966 -1.742 2.143 -6.838 161 HE1 TRP 966 HE1 TRP 966 -1.452 0.389 -4.979 162 HE3 TRP 966 HE3 TRP 966 2.201 -0.533 -8.724 163 HZ2 TRP 966 HZ2 TRP 966 0.219 -1.840 -4.363 164 HZ3 TRP 966 HZ3 TRP 966 3.112 -2.462 -7.472 165 HH2 TRP 966 HH TRP 966 2.126 -3.122 -5.295 166 H ARG 967 H ARG 967 2.088 4.912 -8.862 167 HA ARG 967 HA ARG 967 2.084 6.778 -10.197 168 HB2 ARG 967 2HB ARG 967 3.076 4.801 -12.261 169 HB3 ARG 967 1HB ARG 967 3.292 6.548 -12.304 170 HG2 ARG 967 2HG ARG 967 4.289 4.895 -9.978 171 HG3 ARG 967 1HG ARG 967 5.265 5.127 -11.425 172 HD2 ARG 967 2HD ARG 967 4.206 7.306 -9.597 173 HD3 ARG 967 1HD ARG 967 5.880 6.807 -9.783 174 HE ARG 967 HE ARG 967 4.352 8.464 -11.624 175 HH11 ARG 967 1HH2 ARG 967 7.119 6.463 -11.064 176 HH12 ARG 967 2HH2 ARG 967 8.052 7.153 -12.349 177 HH21 ARG 967 1HH1 ARG 967 5.567 9.372 -13.313 178 HH22 ARG 967 2HH1 ARG 967 7.171 8.797 -13.627 179 H LYS 968 H LYS 968 -0.402 5.051 -10.247 180 HA LYS 968 HA LYS 968 -1.577 6.325 -12.640 181 HB2 LYS 968 2HB LYS 968 -2.982 4.317 -13.025 182 HB3 LYS 968 1HB LYS 968 -1.271 4.012 -13.294 183 HG2 LYS 968 2HG LYS 968 -1.029 2.865 -11.237 184 HG3 LYS 968 1HG LYS 968 -2.578 3.437 -10.630 185 HD2 LYS 968 2HD LYS 968 -3.072 1.233 -11.269 186 HD3 LYS 968 1HD LYS 968 -3.579 2.145 -12.685 187 HE2 LYS 968 2HE LYS 968 -2.261 0.245 -13.424 188 HE3 LYS 968 1HE LYS 968 -1.322 1.710 -13.699 189 HZ1 LYS 968 3HZ LYS 968 -1.045 0.255 -11.159 190 HZ2 LYS 968 1HZ LYS 968 0.076 1.250 -11.951 191 HZ3 LYS 968 2HZ LYS 968 -0.234 -0.312 -12.542 192 H GLU 969 H GLU 969 -4.085 4.668 -11.708 193 HA GLU 969 HA GLU 969 -4.728 6.180 -9.266 194 HB2 GLU 969 2HB GLU 969 -5.364 7.636 -11.164 195 HB3 GLU 969 1HB GLU 969 -6.398 6.348 -11.787 196 HG2 GLU 969 2HG GLU 969 -7.744 6.401 -9.739 197 HG3 GLU 969 1HG GLU 969 -6.680 7.626 -9.049 198 H MET 970 H MET 970 -6.256 5.294 -8.003 199 HA MET 970 HA MET 970 -8.012 3.195 -8.864 200 HB2 MET 970 2HB MET 970 -7.073 1.607 -7.011 201 HB3 MET 970 1HB MET 970 -6.296 1.630 -8.588 202 HG2 MET 970 2HG MET 970 -4.440 1.810 -7.212 203 HG3 MET 970 1HG MET 970 -4.793 3.506 -7.445 204 HE1 MET 970 3HE MET 970 -5.238 0.909 -3.749 205 HE2 MET 970 1HE MET 970 -4.097 0.769 -5.092 206 HE3 MET 970 2HE MET 970 -5.804 0.406 -5.339 207 H THR 971 H THR 971 -9.479 2.560 -7.119 208 HA THR 971 HA THR 971 -10.037 4.847 -5.410 209 HB THR 971 HB THR 971 -12.143 3.691 -4.940 210 HG1 THR 971 HG1 THR 971 -12.277 1.634 -5.237 211 HG21 THR 971 3HG2 THR 971 -11.289 3.712 -7.845 212 HG22 THR 971 1HG2 THR 971 -12.042 5.035 -6.953 213 HG23 THR 971 2HG2 THR 971 -12.962 3.572 -7.304 214 H VAL 972 H VAL 972 -10.797 4.510 -3.193 215 HA VAL 972 HA VAL 972 -8.805 3.345 -1.546 216 HB VAL 972 HB VAL 972 -11.552 4.502 -1.048 217 HG11 VAL 972 1HG1 VAL 972 -9.751 3.010 0.842 218 HG12 VAL 972 2HG1 VAL 972 -11.510 3.024 0.759 219 HG13 VAL 972 3HG1 VAL 972 -10.654 4.398 1.453 220 HG21 VAL 972 3HG2 VAL 972 -9.704 6.041 -1.609 221 HG22 VAL 972 1HG2 VAL 972 -8.744 5.368 -0.290 222 HG23 VAL 972 2HG2 VAL 972 -10.222 6.263 0.062 223 H GLN 973 H GLN 973 -12.100 2.367 -2.450 224 HA GLN 973 HA GLN 973 -12.400 0.174 -0.789 225 HB2 GLN 973 2HB GLN 973 -14.061 1.226 -2.473 226 HB3 GLN 973 1HB GLN 973 -13.341 0.137 -3.656 227 HG2 GLN 973 2HG GLN 973 -15.206 -1.047 -2.768 228 HG3 GLN 973 1HG GLN 973 -13.794 -1.744 -1.975 229 HE21 GLN 973 1HE2 GLN 973 -15.554 1.325 -1.303 230 HE22 GLN 973 2HE2 GLN 973 -15.899 0.944 0.315 231 H GLN 974 H GLN 974 -10.742 0.407 -3.917 232 HA GLN 974 HA GLN 974 -10.191 -2.332 -4.265 233 HB2 GLN 974 2HB GLN 974 -9.025 0.243 -5.264 234 HB3 GLN 974 1HB GLN 974 -8.115 -1.238 -5.538 235 HG2 GLN 974 2HG GLN 974 -9.689 -0.605 -7.399 236 HG3 GLN 974 1HG GLN 974 -9.935 -2.224 -6.760 237 HE21 GLN 974 1HE2 GLN 974 -11.686 0.279 -7.878 238 HE22 GLN 974 2HE2 GLN 974 -13.059 0.174 -6.884 239 H PHE 975 H PHE 975 -8.443 0.238 -2.552 240 HA PHE 975 HA PHE 975 -6.162 -1.278 -1.853 241 HB2 PHE 975 2HB PHE 975 -6.135 1.135 -1.616 242 HB3 PHE 975 1HB PHE 975 -7.450 1.077 -0.451 243 HD1 PHE 975 HD1 PHE 975 -4.107 -0.563 -0.980 244 HD2 PHE 975 HD2 PHE 975 -6.852 1.222 1.804 245 HE1 PHE 975 HE1 PHE 975 -2.478 -0.907 0.857 246 HE2 PHE 975 HE2 PHE 975 -5.217 0.882 3.634 247 HZ PHE 975 HZ PHE 975 -3.031 -0.186 3.163 248 H LEU 976 H LEU 976 -9.253 -0.747 -0.187 249 HA LEU 976 HA LEU 976 -8.638 -2.153 2.166 250 HB2 LEU 976 2HB LEU 976 -10.706 -0.648 1.491 251 HB3 LEU 976 1HB LEU 976 -11.415 -2.175 0.989 252 HG LEU 976 HG LEU 976 -12.164 -1.873 3.196 253 HD11 LEU 976 1HD1 LEU 976 -9.697 -3.559 3.640 254 HD12 LEU 976 2HD1 LEU 976 -11.094 -4.122 2.720 255 HD13 LEU 976 3HD1 LEU 976 -11.270 -3.696 4.415 256 HD21 LEU 976 3HD2 LEU 976 -10.175 -1.502 5.012 257 HD22 LEU 976 1HD2 LEU 976 -11.058 -0.179 4.257 258 HD23 LEU 976 2HD2 LEU 976 -9.482 -0.645 3.637 259 H ASP 977 H ASP 977 -9.957 -3.237 -0.949 260 HA ASP 977 HA ASP 977 -10.411 -5.926 -0.149 261 HB2 ASP 977 2HB ASP 977 -11.321 -4.810 -2.233 262 HB3 ASP 977 1HB ASP 977 -9.713 -4.984 -2.934 263 H LEU 978 H LEU 978 -7.659 -4.257 -1.628 264 HA LEU 978 HA LEU 978 -6.027 -6.519 -2.027 265 HB2 LEU 978 2HB LEU 978 -5.583 -4.453 -3.174 266 HB3 LEU 978 1HB LEU 978 -5.348 -3.600 -1.653 267 HG LEU 978 HG LEU 978 -3.341 -4.909 -1.174 268 HD11 LEU 978 1HD1 LEU 978 -2.513 -6.429 -3.102 269 HD12 LEU 978 2HD1 LEU 978 -4.190 -6.422 -3.648 270 HD13 LEU 978 3HD1 LEU 978 -3.781 -7.062 -2.056 271 HD21 LEU 978 3HD2 LEU 978 -2.892 -2.960 -2.469 272 HD22 LEU 978 1HD2 LEU 978 -3.516 -3.705 -3.942 273 HD23 LEU 978 2HD2 LEU 978 -1.990 -4.258 -3.251 274 H LYS 979 H LYS 979 -6.127 -4.193 0.703 275 HA LYS 979 HA LYS 979 -4.006 -5.475 2.115 276 HB2 LYS 979 2HB LYS 979 -4.427 -3.928 3.836 277 HB3 LYS 979 1HB LYS 979 -4.893 -3.061 2.375 278 HG2 LYS 979 2HG LYS 979 -7.246 -3.879 2.795 279 HG3 LYS 979 1HG LYS 979 -6.707 -4.395 4.376 280 HD2 LYS 979 2HD LYS 979 -6.449 -1.569 3.317 281 HD3 LYS 979 1HD LYS 979 -7.731 -2.114 4.398 282 HE2 LYS 979 2HE LYS 979 -5.850 -2.897 5.968 283 HE3 LYS 979 1HE LYS 979 -4.773 -1.923 4.967 284 HZ1 LYS 979 3HZ LYS 979 -5.417 -0.160 6.102 285 HZ2 LYS 979 1HZ LYS 979 -6.539 -1.074 6.987 286 HZ3 LYS 979 2HZ LYS 979 -6.998 -0.363 5.513 287 H GLU 980 H GLU 980 -7.542 -5.679 2.271 288 HA GLU 980 HA GLU 980 -7.750 -7.327 4.519 289 HB2 GLU 980 2HB GLU 980 -9.671 -6.243 3.359 290 HB3 GLU 980 1HB GLU 980 -9.492 -7.403 2.043 291 HG2 GLU 980 2HG GLU 980 -9.876 -9.262 3.611 292 HG3 GLU 980 1HG GLU 980 -10.024 -8.117 4.943 293 H ARG 981 H ARG 981 -7.532 -8.247 1.077 294 HA ARG 981 HA ARG 981 -7.508 -11.035 1.516 295 HB2 ARG 981 2HB ARG 981 -6.407 -9.357 -0.748 296 HB3 ARG 981 1HB ARG 981 -6.498 -11.111 -0.789 297 HG2 ARG 981 2HG ARG 981 -8.952 -9.461 -0.191 298 HG3 ARG 981 1HG ARG 981 -8.444 -9.746 -1.853 299 HD2 ARG 981 2HD ARG 981 -8.463 -12.226 -1.338 300 HD3 ARG 981 1HD ARG 981 -9.203 -11.831 0.212 301 HE ARG 981 HE ARG 981 -10.586 -10.703 -2.064 302 HH11 ARG 981 1HH2 ARG 981 -10.178 -13.423 0.038 303 HH12 ARG 981 2HH2 ARG 981 -11.762 -14.059 -0.254 304 HH21 ARG 981 1HH1 ARG 981 -12.661 -11.532 -2.449 305 HH22 ARG 981 2HH1 ARG 981 -13.172 -12.984 -1.660 306 H ALA 982 H ALA 982 -4.811 -8.742 1.032 307 HA ALA 982 HA ALA 982 -2.746 -10.647 1.159 308 HB1 ALA 982 3HB ALA 982 -1.264 -8.833 1.319 309 HB2 ALA 982 1HB ALA 982 -2.432 -7.834 2.184 310 HB3 ALA 982 2HB ALA 982 -2.654 -8.164 0.481 311 H LEU 983 H LEU 983 -4.004 -8.516 3.717 312 HA LEU 983 HA LEU 983 -2.341 -9.623 5.703 313 HB2 LEU 983 2HB LEU 983 -4.772 -7.865 5.745 314 HB3 LEU 983 1HB LEU 983 -4.193 -8.559 7.254 315 HG LEU 983 HG LEU 983 -2.035 -7.519 6.995 316 HD11 LEU 983 1HD1 LEU 983 -3.013 -6.776 4.241 317 HD12 LEU 983 2HD1 LEU 983 -1.583 -7.705 4.661 318 HD13 LEU 983 3HD1 LEU 983 -1.645 -5.980 5.002 319 HD21 LEU 983 3HD2 LEU 983 -2.640 -5.207 7.168 320 HD22 LEU 983 1HD2 LEU 983 -4.011 -6.130 7.785 321 HD23 LEU 983 2HD2 LEU 983 -4.069 -5.443 6.162 322 H SER 984 H SER 984 -5.270 -10.679 4.252 323 HA SER 984 HA SER 984 -6.094 -12.398 6.426 324 HB2 SER 984 2HB SER 984 -7.814 -11.600 4.952 325 HB3 SER 984 1HB SER 984 -6.951 -12.186 3.534 326 HG SER 984 HG SER 984 -7.946 -14.000 3.848 327 H GLY 985 H GLY 985 -3.542 -12.512 4.332 328 HA2 GLY 985 2HA GLY 985 -1.953 -14.261 4.289 329 HA3 GLY 985 1HA GLY 985 -3.214 -15.403 4.735 330 H ALA 986 H ALA 986 -3.753 -13.096 2.163 331 HA ALA 986 HA ALA 986 -4.352 -15.155 0.283 332 HB1 ALA 986 3HB ALA 986 -3.872 -12.204 -0.135 333 HB2 ALA 986 1HB ALA 986 -5.417 -12.992 0.101 334 HB3 ALA 986 2HB ALA 986 -4.497 -13.304 -1.359 335 H SER 987 H SER 987 -3.247 -15.810 -1.544 336 HA SER 987 HA SER 987 -0.339 -15.322 -1.481 337 HB2 SER 987 2HB SER 987 -0.155 -17.387 -2.795 338 HB3 SER 987 1HB SER 987 -1.058 -17.681 -1.312 339 HG SER 987 HG SER 987 -2.920 -17.050 -2.858 340 H ASP 988 H ASP 988 -3.029 -14.196 -2.972 341 HA ASP 988 HA ASP 988 -2.638 -14.186 -5.684 342 HB2 ASP 988 2HB ASP 988 -3.590 -12.007 -3.825 343 HB3 ASP 988 1HB ASP 988 -3.599 -11.805 -5.575 344 HA PRO 989 HA PRO 989 1.265 -12.226 -6.418 345 HB2 PRO 989 2HB PRO 989 0.705 -10.722 -8.692 346 HB3 PRO 989 1HB PRO 989 1.020 -12.468 -8.698 347 HG2 PRO 989 2HG PRO 989 -1.597 -11.028 -8.729 348 HG3 PRO 989 1HG PRO 989 -1.084 -12.451 -9.657 349 HD2 PRO 989 2HD PRO 989 -2.655 -12.707 -7.488 350 HD3 PRO 989 1HD PRO 989 -1.390 -13.905 -7.846 351 H ASP 990 H ASP 990 -1.633 -10.276 -6.311 352 HA ASP 990 HA ASP 990 -0.335 -7.750 -6.007 353 HB2 ASP 990 2HB ASP 990 -3.128 -8.572 -5.185 354 HB3 ASP 990 1HB ASP 990 -2.541 -6.924 -5.382 355 H SER 991 H SER 991 -1.356 -10.286 -3.791 356 HA SER 991 HA SER 991 -1.145 -8.734 -1.409 357 HB2 SER 991 2HB SER 991 -2.436 -10.669 -1.168 358 HB3 SER 991 1HB SER 991 -1.259 -11.679 -2.006 359 HG SER 991 HG SER 991 -0.816 -12.125 0.047 360 H GLN 992 H GLN 992 1.045 -11.128 -2.910 361 HA GLN 992 HA GLN 992 3.111 -10.779 -1.000 362 HB2 GLN 992 2HB GLN 992 4.479 -11.678 -3.180 363 HB3 GLN 992 1HB GLN 992 3.520 -12.725 -2.136 364 HG2 GLN 992 2HG GLN 992 1.714 -12.796 -3.617 365 HG3 GLN 992 1HG GLN 992 2.220 -11.341 -4.464 366 HE21 GLN 992 1HE2 GLN 992 4.156 -11.550 -5.909 367 HE22 GLN 992 2HE2 GLN 992 4.555 -13.070 -6.552 368 H ARG 993 H ARG 993 2.487 -9.289 -4.169 369 HA ARG 993 HA ARG 993 4.859 -7.739 -4.250 370 HB2 ARG 993 2HB ARG 993 2.154 -7.418 -5.555 371 HB3 ARG 993 1HB ARG 993 3.474 -6.275 -5.825 372 HG2 ARG 993 2HG ARG 993 4.914 -8.097 -6.619 373 HG3 ARG 993 1HG ARG 993 3.634 -9.267 -6.311 374 HD2 ARG 993 2HD ARG 993 2.188 -8.134 -7.949 375 HD3 ARG 993 1HD ARG 993 3.447 -6.938 -8.243 376 HE ARG 993 HE ARG 993 4.341 -9.647 -8.672 377 HH11 ARG 993 1HH2 ARG 993 2.683 -6.920 -10.013 378 HH12 ARG 993 2HH2 ARG 993 3.029 -7.345 -11.656 379 HH21 ARG 993 1HH1 ARG 993 4.794 -10.210 -10.823 380 HH22 ARG 993 2HH1 ARG 993 4.225 -9.206 -12.115 381 H TYR 994 H TYR 994 1.663 -7.208 -2.856 382 HA TYR 994 HA TYR 994 1.983 -4.500 -2.142 383 HB2 TYR 994 2HB TYR 994 -0.207 -5.520 -2.053 384 HB3 TYR 994 1HB TYR 994 0.343 -6.704 -0.866 385 HD1 TYR 994 HD1 TYR 994 0.309 -2.980 -1.360 386 HD2 TYR 994 HD2 TYR 994 -0.122 -6.254 1.387 387 HE1 TYR 994 HE1 TYR 994 -0.226 -1.384 0.461 388 HE2 TYR 994 HE2 TYR 994 -0.659 -4.659 3.207 389 HH TYR 994 HH TYR 994 -0.132 -1.321 2.936 390 H ASN 995 H ASN 995 2.755 -7.520 -0.436 391 HA ASN 995 HA ASN 995 3.645 -6.350 1.971 392 HB2 ASN 995 2HB ASN 995 4.252 -8.949 0.566 393 HB3 ASN 995 1HB ASN 995 5.098 -8.514 2.050 394 HD21 ASN 995 1HD2 ASN 995 1.949 -9.422 0.714 395 HD22 ASN 995 2HD2 ASN 995 1.185 -9.649 2.213 396 H ALA 996 H ALA 996 5.271 -7.088 -1.087 397 HA ALA 996 HA ALA 996 7.874 -6.311 -0.273 398 HB1 ALA 996 3HB ALA 996 6.654 -6.178 -3.017 399 HB2 ALA 996 1HB ALA 996 7.433 -7.602 -2.340 400 HB3 ALA 996 2HB ALA 996 8.369 -6.133 -2.654 401 H TRP 997 H TRP 997 5.183 -4.538 -1.773 402 HA TRP 997 HA TRP 997 6.489 -2.128 -2.233 403 HB2 TRP 997 2HB TRP 997 4.234 -2.437 -3.048 404 HB3 TRP 997 1HB TRP 997 3.616 -2.643 -1.412 405 HD1 TRP 997 HD TRP 997 5.463 0.058 -3.477 406 HE1 TRP 997 HE1 TRP 997 4.643 2.372 -2.689 407 HE3 TRP 997 HE3 TRP 997 2.321 -1.358 0.288 408 HZ2 TRP 997 HZ2 TRP 997 2.887 3.477 -0.725 409 HZ3 TRP 997 HZ3 TRP 997 1.087 0.344 1.601 410 HH2 TRP 997 HH TRP 997 1.366 2.756 1.101 411 H LEU 998 H LEU 998 4.964 -3.393 0.706 412 HA LEU 998 HA LEU 998 5.404 -1.099 2.322 413 HB2 LEU 998 2HB LEU 998 5.003 -4.027 2.932 414 HB3 LEU 998 1HB LEU 998 5.335 -2.872 4.216 415 HG LEU 998 HG LEU 998 3.094 -2.518 2.207 416 HD11 LEU 998 1HD1 LEU 998 1.617 -3.299 4.098 417 HD12 LEU 998 2HD1 LEU 998 3.076 -3.815 4.944 418 HD13 LEU 998 3HD1 LEU 998 2.640 -4.561 3.407 419 HD21 LEU 998 3HD2 LEU 998 3.387 -0.419 3.187 420 HD22 LEU 998 1HD2 LEU 998 3.989 -1.083 4.703 421 HD23 LEU 998 2HD2 LEU 998 2.268 -1.138 4.337 422 H GLU 999 H GLU 999 7.317 -3.953 1.536 423 HA GLU 999 HA GLU 999 9.463 -3.466 3.324 424 HB2 GLU 999 2HB GLU 999 9.073 -5.639 2.191 425 HB3 GLU 999 1HB GLU 999 9.518 -4.911 0.648 426 HG2 GLU 999 2HG GLU 999 11.748 -4.366 1.550 427 HG3 GLU 999 1HG GLU 999 11.302 -5.086 3.095 428 H LEU1000 H LEU1000 8.904 -2.471 -0.054 429 HA LEU1000 HA LEU1000 11.408 -1.252 -0.499 430 HB2 LEU1000 2HB LEU1000 8.691 -0.475 -1.607 431 HB3 LEU1000 1HB LEU1000 10.237 0.082 -2.234 432 HG LEU1000 HG LEU1000 9.246 -2.780 -2.182 433 HD11 LEU1000 1HD1 LEU1000 9.036 -2.594 -4.539 434 HD12 LEU1000 2HD1 LEU1000 9.928 -1.073 -4.575 435 HD13 LEU1000 3HD1 LEU1000 8.303 -1.126 -3.892 436 HD21 LEU1000 3HD2 LEU1000 11.929 -1.576 -2.816 437 HD22 LEU1000 1HD2 LEU1000 11.393 -3.006 -3.701 438 HD23 LEU1000 2HD2 LEU1000 11.550 -3.065 -1.948 439 H ARG1001 H ARG1001 8.370 -0.076 0.847 440 HA ARG1001 HA ARG1001 9.125 2.609 1.211 441 HB2 ARG1001 2HB ARG1001 6.819 1.967 1.359 442 HB3 ARG1001 1HB ARG1001 7.153 0.856 2.680 443 HG2 ARG1001 2HG ARG1001 7.678 2.640 4.173 444 HG3 ARG1001 1HG ARG1001 7.724 3.805 2.857 445 HD2 ARG1001 2HD ARG1001 5.289 3.370 2.462 446 HD3 ARG1001 1HD ARG1001 5.292 2.299 3.859 447 HE ARG1001 HE ARG1001 6.308 4.756 4.714 448 HH11 ARG1001 1HH2 ARG1001 3.405 3.442 3.366 449 HH12 ARG1001 2HH2 ARG1001 2.363 4.588 4.138 450 HH21 ARG1001 1HH1 ARG1001 4.948 6.262 5.735 451 HH22 ARG1001 2HH1 ARG1001 3.236 6.187 5.479 452 H ALA1002 H ALA1002 9.381 -0.224 3.292 453 HA ALA1002 HA ALA1002 10.314 1.039 5.593 454 HB1 ALA1002 3HB ALA1002 10.693 -1.730 4.467 455 HB2 ALA1002 1HB ALA1002 9.716 -1.227 5.845 456 HB3 ALA1002 2HB ALA1002 11.474 -1.252 5.973 457 H LYS1003 H LYS1003 11.889 0.069 2.632 458 HA LYS1003 HA LYS1003 14.566 0.549 3.577 459 HB2 LYS1003 2HB LYS1003 13.483 0.338 0.761 460 HB3 LYS1003 1HB LYS1003 15.194 0.479 1.166 461 HG2 LYS1003 2HG LYS1003 14.911 -1.569 2.627 462 HG3 LYS1003 1HG LYS1003 13.307 -1.751 1.939 463 HD2 LYS1003 2HD LYS1003 14.277 -1.853 -0.331 464 HD3 LYS1003 1HD LYS1003 15.892 -1.706 0.362 465 HE2 LYS1003 2HE LYS1003 13.923 -3.963 0.829 466 HE3 LYS1003 1HE LYS1003 15.444 -4.056 -0.056 467 HZ1 LYS1003 3HZ LYS1003 16.185 -3.023 2.330 468 HZ2 LYS1003 1HZ LYS1003 16.318 -4.655 1.888 469 HZ3 LYS1003 2HZ LYS1003 14.969 -4.124 2.775 470 H ARG1004 H ARG1004 12.159 2.412 1.793 471 HA ARG1004 HA ARG1004 13.770 4.651 1.192 472 HB2 ARG1004 2HB ARG1004 10.784 4.439 1.660 473 HB3 ARG1004 1HB ARG1004 11.585 5.857 0.990 474 HG2 ARG1004 2HG ARG1004 11.967 3.140 -0.269 475 HG3 ARG1004 1HG ARG1004 10.549 4.110 -0.652 476 HD2 ARG1004 2HD ARG1004 12.088 5.996 -1.286 477 HD3 ARG1004 1HD ARG1004 13.449 4.903 -1.056 478 HE ARG1004 HE ARG1004 11.710 3.616 -2.796 479 HH11 ARG1004 1HH2 ARG1004 13.525 6.557 -2.645 480 HH12 ARG1004 2HH2 ARG1004 13.757 6.664 -4.358 481 HH21 ARG1004 1HH1 ARG1004 12.015 3.745 -5.042 482 HH22 ARG1004 2HH1 ARG1004 12.905 5.069 -5.715 483 H LEU1005 H LEU1005 11.753 3.861 3.985 484 HA LEU1005 HA LEU1005 11.992 6.336 5.325 485 HB2 LEU1005 2HB LEU1005 11.517 3.533 6.358 486 HB3 LEU1005 1HB LEU1005 11.405 4.978 7.363 487 HG LEU1005 HG LEU1005 9.819 4.589 4.810 488 HD11 LEU1005 1HD1 LEU1005 7.901 4.205 6.468 489 HD12 LEU1005 2HD1 LEU1005 9.149 3.926 7.681 490 HD13 LEU1005 3HD1 LEU1005 9.045 2.878 6.264 491 HD21 LEU1005 3HD2 LEU1005 9.745 6.882 5.233 492 HD22 LEU1005 1HD2 LEU1005 9.904 6.682 6.978 493 HD23 LEU1005 2HD2 LEU1005 8.367 6.348 6.184 494 H SER1006 H SER1006 13.934 3.375 5.438 495 HA SER1006 HA SER1006 16.259 4.868 6.280 496 HB2 SER1006 2HB SER1006 15.179 4.560 8.450 497 HB3 SER1006 1HB SER1006 15.027 2.832 8.153 498 HG SER1006 HG SER1006 17.458 4.303 8.256 Start of MODEL 20 1 HA2 GLY 945 2HA GLY 945 -21.118 11.979 9.801 2 HA3 GLY 945 1HA GLY 945 -20.055 13.380 9.943 3 H ALA 946 H ALA 946 -19.782 10.115 11.341 4 HA ALA 946 HA ALA 946 -17.014 9.943 10.428 5 HB1 ALA 946 3HB ALA 946 -17.039 7.798 11.719 6 HB2 ALA 946 1HB ALA 946 -18.722 8.125 12.134 7 HB3 ALA 946 2HB ALA 946 -17.451 9.217 12.675 8 H MET 947 H MET 947 -19.946 9.328 9.098 9 HA MET 947 HA MET 947 -19.676 6.779 7.930 10 HB2 MET 947 2HB MET 947 -21.163 9.272 7.089 11 HB3 MET 947 1HB MET 947 -21.237 7.781 6.153 12 HG2 MET 947 2HG MET 947 -21.942 7.982 9.096 13 HG3 MET 947 1HG MET 947 -23.123 8.018 7.790 14 HE1 MET 947 3HE MET 947 -24.426 5.686 7.301 15 HE2 MET 947 1HE MET 947 -23.352 4.670 6.329 16 HE3 MET 947 2HE MET 947 -23.391 6.415 6.075 17 H ALA 948 H ALA 948 -18.387 9.924 7.118 18 HA ALA 948 HA ALA 948 -17.553 9.373 4.468 19 HB1 ALA 948 3HB ALA 948 -16.200 11.205 6.459 20 HB2 ALA 948 1HB ALA 948 -17.637 11.647 5.536 21 HB3 ALA 948 2HB ALA 948 -16.122 11.305 4.700 22 H ILE 949 H ILE 949 -15.819 8.335 3.660 23 HA ILE 949 HA ILE 949 -14.216 6.654 3.690 24 HB ILE 949 HB ILE 949 -12.046 7.571 4.439 25 HG12 ILE 949 2HG1 ILE 949 -13.643 9.966 5.388 26 HG13 ILE 949 1HG1 ILE 949 -13.018 8.733 6.485 27 HG21 ILE 949 1HG2 ILE 949 -12.018 9.431 2.902 28 HG22 ILE 949 2HG2 ILE 949 -13.757 9.660 3.069 29 HG23 ILE 949 3HG2 ILE 949 -13.129 8.220 2.266 30 HD11 ILE 949 3HD1 ILE 949 -11.295 10.300 4.545 31 HD12 ILE 949 1HD1 ILE 949 -10.743 9.202 5.812 32 HD13 ILE 949 2HD1 ILE 949 -11.511 10.730 6.242 33 H ALA 950 H ALA 950 -12.145 6.153 5.483 34 HA ALA 950 HA ALA 950 -13.068 5.650 8.133 35 HB1 ALA 950 3HB ALA 950 -13.125 3.180 7.981 36 HB2 ALA 950 1HB ALA 950 -12.967 3.295 6.228 37 HB3 ALA 950 2HB ALA 950 -14.407 3.926 7.027 38 H LEU 951 H LEU 951 -10.788 6.168 5.927 39 HA LEU 951 HA LEU 951 -8.628 4.589 7.141 40 HB2 LEU 951 2HB LEU 951 -8.866 6.338 4.696 41 HB3 LEU 951 1HB LEU 951 -7.287 5.864 5.317 42 HG LEU 951 HG LEU 951 -7.941 3.487 5.159 43 HD11 LEU 951 1HD1 LEU 951 -10.309 3.532 5.421 44 HD12 LEU 951 2HD1 LEU 951 -10.039 3.040 3.749 45 HD13 LEU 951 3HD1 LEU 951 -10.503 4.700 4.115 46 HD21 LEU 951 3HD2 LEU 951 -8.476 4.914 2.543 47 HD22 LEU 951 1HD2 LEU 951 -7.727 3.335 2.780 48 HD23 LEU 951 2HD2 LEU 951 -6.869 4.795 3.260 49 H ARG 952 H ARG 952 -7.169 5.431 8.529 50 HA ARG 952 HA ARG 952 -7.625 8.017 9.667 51 HB2 ARG 952 2HB ARG 952 -5.407 5.996 10.043 52 HB3 ARG 952 1HB ARG 952 -5.516 7.503 10.951 53 HG2 ARG 952 2HG ARG 952 -7.737 6.855 11.782 54 HG3 ARG 952 1HG ARG 952 -7.655 5.353 10.860 55 HD2 ARG 952 2HD ARG 952 -5.615 4.723 12.143 56 HD3 ARG 952 1HD ARG 952 -5.790 6.188 13.103 57 HE ARG 952 HE ARG 952 -7.432 3.783 13.275 58 HH11 ARG 952 1HH2 ARG 952 -7.027 7.140 14.036 59 HH12 ARG 952 2HH2 ARG 952 -8.121 7.104 15.378 60 HH21 ARG 952 1HH1 ARG 952 -8.871 3.738 15.021 61 HH22 ARG 952 2HH1 ARG 952 -9.173 5.181 15.931 62 H ASP 953 H ASP 953 -5.613 9.501 9.981 63 HA ASP 953 HA ASP 953 -5.000 10.660 7.510 64 HB2 ASP 953 2HB ASP 953 -3.221 11.895 8.806 65 HB3 ASP 953 1HB ASP 953 -4.842 11.992 9.490 66 H ASP 954 H ASP 954 -3.097 8.430 9.522 67 HA ASP 954 HA ASP 954 -0.775 8.456 7.883 68 HB2 ASP 954 2HB ASP 954 -0.875 7.626 10.249 69 HB3 ASP 954 1HB ASP 954 -1.753 6.213 9.665 70 H GLU 955 H GLU 955 -3.687 6.481 7.964 71 HA GLU 955 HA GLU 955 -2.892 4.605 5.984 72 HB2 GLU 955 2HB GLU 955 -5.620 5.466 6.970 73 HB3 GLU 955 1HB GLU 955 -5.331 4.091 5.905 74 HG2 GLU 955 2HG GLU 955 -4.029 4.421 8.618 75 HG3 GLU 955 1HG GLU 955 -5.491 3.480 8.346 76 H TYR 956 H TYR 956 -4.613 7.681 5.884 77 HA TYR 956 HA TYR 956 -5.509 7.601 3.226 78 HB2 TYR 956 2HB TYR 956 -6.279 9.311 4.773 79 HB3 TYR 956 1HB TYR 956 -4.644 9.952 4.929 80 HD1 TYR 956 HD1 TYR 956 -7.563 9.619 2.683 81 HD2 TYR 956 HD2 TYR 956 -3.625 11.265 3.164 82 HE1 TYR 956 HE1 TYR 956 -7.927 11.069 0.703 83 HE2 TYR 956 HE2 TYR 956 -3.986 12.714 1.186 84 HH TYR 956 HH TYR 956 -6.559 12.257 -0.981 85 H ASP 957 H ASP 957 -2.456 8.737 4.621 86 HA ASP 957 HA ASP 957 -1.291 9.691 2.232 87 HB2 ASP 957 2HB ASP 957 -0.483 10.101 4.602 88 HB3 ASP 957 1HB ASP 957 0.199 8.477 4.564 89 H GLU 958 H GLU 958 -1.312 6.518 3.780 90 HA GLU 958 HA GLU 958 0.528 5.256 2.035 91 HB2 GLU 958 2HB GLU 958 -1.694 4.159 3.763 92 HB3 GLU 958 1HB GLU 958 -0.554 3.141 2.879 93 HG2 GLU 958 2HG GLU 958 1.322 4.110 4.068 94 HG3 GLU 958 1HG GLU 958 0.270 5.286 4.853 95 H TRP 959 H TRP 959 -3.004 5.657 1.917 96 HA TRP 959 HA TRP 959 -3.421 3.950 -0.308 97 HB2 TRP 959 2HB TRP 959 -5.328 4.555 0.993 98 HB3 TRP 959 1HB TRP 959 -4.994 6.272 0.818 99 HD1 TRP 959 HD TRP 959 -5.378 3.416 -1.783 100 HE1 TRP 959 HE1 TRP 959 -7.042 4.227 -3.583 101 HE3 TRP 959 HE3 TRP 959 -6.477 8.013 0.085 102 HZ2 TRP 959 HZ2 TRP 959 -8.636 6.546 -4.148 103 HZ3 TRP 959 HZ3 TRP 959 -8.065 9.512 -1.088 104 HH2 TRP 959 HH TRP 959 -9.143 8.790 -3.205 105 H GLN 960 H GLN 960 -2.956 7.484 -0.068 106 HA GLN 960 HA GLN 960 -3.054 7.963 -2.849 107 HB2 GLN 960 2HB GLN 960 -1.674 9.453 -0.608 108 HB3 GLN 960 1HB GLN 960 -1.780 10.056 -2.263 109 HG2 GLN 960 2HG GLN 960 -4.206 9.251 -0.645 110 HG3 GLN 960 1HG GLN 960 -3.587 10.901 -0.693 111 HE21 GLN 960 1HE2 GLN 960 -5.796 8.846 -2.184 112 HE22 GLN 960 2HE2 GLN 960 -5.952 9.667 -3.662 113 H ASP 961 H ASP 961 -0.451 7.028 -0.694 114 HA ASP 961 HA ASP 961 1.678 7.401 -2.515 115 HB2 ASP 961 2HB ASP 961 1.803 7.070 0.018 116 HB3 ASP 961 1HB ASP 961 1.640 5.346 -0.311 117 H ILE 962 H ILE 962 -0.459 4.614 -1.890 118 HA ILE 962 HA ILE 962 1.074 2.846 -3.532 119 HB ILE 962 HB ILE 962 -0.823 2.351 -1.691 120 HG12 ILE 962 2HG1 ILE 962 -1.074 0.067 -2.744 121 HG13 ILE 962 1HG1 ILE 962 -0.243 0.695 -4.162 122 HG21 ILE 962 1HG2 ILE 962 -2.592 3.359 -3.215 123 HG22 ILE 962 2HG2 ILE 962 -2.936 1.742 -2.635 124 HG23 ILE 962 3HG2 ILE 962 -2.349 1.991 -4.277 125 HD11 ILE 962 3HD1 ILE 962 1.035 -0.522 -2.085 126 HD12 ILE 962 1HD1 ILE 962 1.160 1.163 -1.582 127 HD13 ILE 962 2HD1 ILE 962 1.802 0.658 -3.144 128 H ILE 963 H ILE 963 -1.657 4.999 -4.046 129 HA ILE 963 HA ILE 963 -2.283 4.185 -6.675 130 HB ILE 963 HB ILE 963 -2.578 6.878 -5.337 131 HG12 ILE 963 2HG1 ILE 963 -4.558 4.657 -5.928 132 HG13 ILE 963 1HG1 ILE 963 -3.832 4.953 -4.365 133 HG21 ILE 963 1HG2 ILE 963 -2.585 7.249 -7.713 134 HG22 ILE 963 2HG2 ILE 963 -4.272 7.202 -7.226 135 HG23 ILE 963 3HG2 ILE 963 -3.537 5.797 -7.995 136 HD11 ILE 963 3HD1 ILE 963 -5.179 6.733 -3.919 137 HD12 ILE 963 1HD1 ILE 963 -6.221 5.999 -5.135 138 HD13 ILE 963 2HD1 ILE 963 -5.143 7.322 -5.579 139 H ARG 964 H ARG 964 -0.015 6.543 -5.358 140 HA ARG 964 HA ARG 964 0.971 7.568 -7.797 141 HB2 ARG 964 2HB ARG 964 1.471 8.675 -5.691 142 HB3 ARG 964 1HB ARG 964 2.312 7.246 -5.096 143 HG2 ARG 964 2HG ARG 964 4.023 7.489 -6.833 144 HG3 ARG 964 1HG ARG 964 3.153 8.861 -7.526 145 HD2 ARG 964 2HD ARG 964 3.465 10.126 -5.445 146 HD3 ARG 964 1HD ARG 964 4.278 8.745 -4.713 147 HE ARG 964 HE ARG 964 5.554 9.531 -7.149 148 HH11 ARG 964 1HH2 ARG 964 5.125 10.347 -3.814 149 HH12 ARG 964 2HH2 ARG 964 6.674 11.102 -3.655 150 HH21 ARG 964 1HH1 ARG 964 7.594 10.519 -6.948 151 HH22 ARG 964 2HH1 ARG 964 8.069 11.203 -5.429 152 H ASP 965 H ASP 965 1.887 4.771 -5.822 153 HA ASP 965 HA ASP 965 4.185 3.996 -7.238 154 HB2 ASP 965 2HB ASP 965 3.504 3.081 -5.033 155 HB3 ASP 965 1HB ASP 965 2.205 2.197 -5.831 156 H TRP 966 H TRP 966 0.760 3.122 -7.758 157 HA TRP 966 HA TRP 966 1.375 1.337 -9.931 158 HB2 TRP 966 2HB TRP 966 -1.260 2.649 -9.214 159 HB3 TRP 966 1HB TRP 966 -1.039 1.301 -10.325 160 HD1 TRP 966 HD TRP 966 -1.894 1.963 -6.873 161 HE1 TRP 966 HE1 TRP 966 -1.604 -0.112 -5.394 162 HE3 TRP 966 HE3 TRP 966 0.863 -0.953 -10.020 163 HZ2 TRP 966 HZ2 TRP 966 -0.357 -2.689 -5.525 164 HZ3 TRP 966 HZ3 TRP 966 1.587 -3.217 -9.320 165 HH2 TRP 966 HH TRP 966 0.980 -4.088 -7.079 166 H ARG 967 H ARG 967 1.619 4.583 -9.660 167 HA ARG 967 HA ARG 967 1.783 6.337 -11.115 168 HB2 ARG 967 2HB ARG 967 2.200 4.063 -13.061 169 HB3 ARG 967 1HB ARG 967 2.463 5.765 -13.447 170 HG2 ARG 967 2HG ARG 967 4.122 5.932 -11.641 171 HG3 ARG 967 1HG ARG 967 3.853 4.240 -11.223 172 HD2 ARG 967 2HD ARG 967 5.838 4.401 -12.627 173 HD3 ARG 967 1HD ARG 967 4.555 3.597 -13.529 174 HE ARG 967 HE ARG 967 4.467 6.390 -14.025 175 HH11 ARG 967 1HH2 ARG 967 6.346 3.550 -14.646 176 HH12 ARG 967 2HH2 ARG 967 6.968 4.123 -16.157 177 HH21 ARG 967 1HH1 ARG 967 5.281 7.150 -16.005 178 HH22 ARG 967 2HH1 ARG 967 6.363 6.161 -16.927 179 H LYS 968 H LYS 968 -0.934 5.132 -10.661 180 HA LYS 968 HA LYS 968 -2.246 6.591 -12.829 181 HB2 LYS 968 2HB LYS 968 -3.811 4.831 -13.383 182 HB3 LYS 968 1HB LYS 968 -2.170 4.257 -13.654 183 HG2 LYS 968 2HG LYS 968 -2.230 3.095 -11.461 184 HG3 LYS 968 1HG LYS 968 -3.897 3.641 -11.236 185 HD2 LYS 968 2HD LYS 968 -4.562 2.473 -13.310 186 HD3 LYS 968 1HD LYS 968 -2.903 1.928 -13.536 187 HE2 LYS 968 2HE LYS 968 -4.189 0.129 -12.526 188 HE3 LYS 968 1HE LYS 968 -3.045 0.740 -11.337 189 HZ1 LYS 968 3HZ LYS 968 -4.703 1.315 -10.011 190 HZ2 LYS 968 1HZ LYS 968 -5.779 0.543 -11.069 191 HZ3 LYS 968 2HZ LYS 968 -5.464 2.204 -11.240 192 H GLU 969 H GLU 969 -4.878 5.511 -12.068 193 HA GLU 969 HA GLU 969 -5.141 6.737 -9.372 194 HB2 GLU 969 2HB GLU 969 -5.933 8.247 -11.145 195 HB3 GLU 969 1HB GLU 969 -7.044 6.999 -11.708 196 HG2 GLU 969 2HG GLU 969 -8.214 7.019 -9.568 197 HG3 GLU 969 1HG GLU 969 -7.050 8.166 -8.908 198 H MET 970 H MET 970 -6.344 5.691 -7.903 199 HA MET 970 HA MET 970 -8.053 3.432 -8.758 200 HB2 MET 970 2HB MET 970 -6.313 3.167 -6.315 201 HB3 MET 970 1HB MET 970 -7.091 1.907 -7.268 202 HG2 MET 970 2HG MET 970 -5.524 2.762 -9.187 203 HG3 MET 970 1HG MET 970 -4.586 3.453 -7.874 204 HE1 MET 970 3HE MET 970 -4.274 2.161 -5.678 205 HE2 MET 970 1HE MET 970 -3.978 0.421 -5.557 206 HE3 MET 970 2HE MET 970 -5.626 1.032 -5.639 207 H THR 971 H THR 971 -8.988 2.549 -6.437 208 HA THR 971 HA THR 971 -10.179 4.924 -5.100 209 HB THR 971 HB THR 971 -12.179 3.473 -4.742 210 HG1 THR 971 HG1 THR 971 -11.840 1.447 -5.077 211 HG21 THR 971 3HG2 THR 971 -11.349 3.784 -7.640 212 HG22 THR 971 1HG2 THR 971 -12.034 5.066 -6.642 213 HG23 THR 971 2HG2 THR 971 -13.002 3.646 -7.041 214 H VAL 972 H VAL 972 -10.819 4.596 -2.865 215 HA VAL 972 HA VAL 972 -8.792 3.374 -1.303 216 HB VAL 972 HB VAL 972 -11.528 4.478 -0.630 217 HG11 VAL 972 1HG1 VAL 972 -11.156 2.823 1.072 218 HG12 VAL 972 2HG1 VAL 972 -10.648 4.358 1.776 219 HG13 VAL 972 3HG1 VAL 972 -9.440 3.221 1.174 220 HG21 VAL 972 3HG2 VAL 972 -9.828 6.117 -1.263 221 HG22 VAL 972 1HG2 VAL 972 -8.684 5.397 -0.132 222 HG23 VAL 972 2HG2 VAL 972 -10.114 6.219 0.474 223 H GLN 973 H GLN 973 -12.107 2.405 -2.134 224 HA GLN 973 HA GLN 973 -12.386 0.158 -0.547 225 HB2 GLN 973 2HB GLN 973 -13.380 0.804 -3.317 226 HB3 GLN 973 1HB GLN 973 -13.855 -0.662 -2.467 227 HG2 GLN 973 2HG GLN 973 -14.736 0.674 -0.610 228 HG3 GLN 973 1HG GLN 973 -14.206 2.157 -1.403 229 HE21 GLN 973 1HE2 GLN 973 -15.440 2.920 -3.240 230 HE22 GLN 973 2HE2 GLN 973 -16.942 2.250 -3.651 231 H GLN 974 H GLN 974 -11.008 0.343 -3.834 232 HA GLN 974 HA GLN 974 -10.400 -2.371 -4.147 233 HB2 GLN 974 2HB GLN 974 -9.344 0.201 -5.276 234 HB3 GLN 974 1HB GLN 974 -8.462 -1.285 -5.612 235 HG2 GLN 974 2HG GLN 974 -10.098 -0.794 -7.373 236 HG3 GLN 974 1HG GLN 974 -10.494 -2.300 -6.551 237 HE21 GLN 974 1HE2 GLN 974 -12.007 -1.648 -4.413 238 HE22 GLN 974 2HE2 GLN 974 -13.322 -0.660 -4.828 239 H PHE 975 H PHE 975 -8.487 0.278 -2.783 240 HA PHE 975 HA PHE 975 -6.152 -1.183 -2.195 241 HB2 PHE 975 2HB PHE 975 -6.177 1.243 -2.189 242 HB3 PHE 975 1HB PHE 975 -7.332 1.260 -0.856 243 HD1 PHE 975 HD1 PHE 975 -3.976 -0.145 -1.760 244 HD2 PHE 975 HD2 PHE 975 -6.516 1.401 1.342 245 HE1 PHE 975 HE1 PHE 975 -2.103 -0.278 -0.155 246 HE2 PHE 975 HE2 PHE 975 -4.634 1.266 2.950 247 HZ PHE 975 HZ PHE 975 -2.424 0.425 2.205 248 H LEU 976 H LEU 976 -9.030 -0.485 -0.247 249 HA LEU 976 HA LEU 976 -8.200 -1.669 2.141 250 HB2 LEU 976 2HB LEU 976 -10.443 -0.329 1.216 251 HB3 LEU 976 1HB LEU 976 -11.085 -1.944 1.461 252 HG LEU 976 HG LEU 976 -11.384 -0.539 3.450 253 HD11 LEU 976 1HD1 LEU 976 -10.121 -2.063 5.076 254 HD12 LEU 976 2HD1 LEU 976 -9.505 -2.885 3.649 255 HD13 LEU 976 3HD1 LEU 976 -11.236 -2.828 3.955 256 HD21 LEU 976 3HD2 LEU 976 -8.472 -0.512 4.114 257 HD22 LEU 976 1HD2 LEU 976 -9.729 0.662 4.485 258 HD23 LEU 976 2HD2 LEU 976 -9.002 0.630 2.882 259 H ASP 977 H ASP 977 -9.871 -3.034 -0.671 260 HA ASP 977 HA ASP 977 -10.184 -5.645 0.404 261 HB2 ASP 977 2HB ASP 977 -11.478 -4.840 -1.527 262 HB3 ASP 977 1HB ASP 977 -10.002 -4.749 -2.484 263 H LEU 978 H LEU 978 -7.607 -4.020 -1.375 264 HA LEU 978 HA LEU 978 -6.095 -6.312 -2.019 265 HB2 LEU 978 2HB LEU 978 -5.709 -4.218 -3.151 266 HB3 LEU 978 1HB LEU 978 -5.273 -3.431 -1.638 267 HG LEU 978 HG LEU 978 -3.279 -4.806 -1.429 268 HD11 LEU 978 1HD1 LEU 978 -2.739 -6.314 -3.483 269 HD12 LEU 978 2HD1 LEU 978 -4.476 -6.258 -3.794 270 HD13 LEU 978 3HD1 LEU 978 -3.870 -6.929 -2.280 271 HD21 LEU 978 3HD2 LEU 978 -2.035 -3.945 -3.312 272 HD22 LEU 978 1HD2 LEU 978 -3.292 -2.767 -2.926 273 HD23 LEU 978 2HD2 LEU 978 -3.496 -3.858 -4.296 274 H LYS 979 H LYS 979 -5.857 -4.078 0.756 275 HA LYS 979 HA LYS 979 -3.661 -5.471 1.939 276 HB2 LYS 979 2HB LYS 979 -3.741 -3.788 3.525 277 HB3 LYS 979 1HB LYS 979 -4.634 -2.996 2.230 278 HG2 LYS 979 2HG LYS 979 -6.751 -3.798 3.264 279 HG3 LYS 979 1HG LYS 979 -5.819 -4.428 4.611 280 HD2 LYS 979 2HD LYS 979 -4.845 -2.098 4.878 281 HD3 LYS 979 1HD LYS 979 -6.068 -1.559 3.720 282 HE2 LYS 979 2HE LYS 979 -7.838 -2.467 5.204 283 HE3 LYS 979 1HE LYS 979 -6.605 -2.931 6.371 284 HZ1 LYS 979 3HZ LYS 979 -6.229 -0.245 5.638 285 HZ2 LYS 979 1HZ LYS 979 -6.592 -0.883 7.166 286 HZ3 LYS 979 2HZ LYS 979 -7.849 -0.456 6.104 287 H GLU 980 H GLU 980 -7.189 -5.529 2.386 288 HA GLU 980 HA GLU 980 -7.287 -7.203 4.616 289 HB2 GLU 980 2HB GLU 980 -9.244 -6.062 3.521 290 HB3 GLU 980 1HB GLU 980 -9.182 -7.285 2.254 291 HG2 GLU 980 2HG GLU 980 -10.812 -8.041 3.838 292 HG3 GLU 980 1HG GLU 980 -9.382 -9.033 4.092 293 H ARG 981 H ARG 981 -7.175 -8.036 1.153 294 HA ARG 981 HA ARG 981 -7.175 -10.844 1.511 295 HB2 ARG 981 2HB ARG 981 -6.198 -9.079 -0.736 296 HB3 ARG 981 1HB ARG 981 -6.185 -10.837 -0.822 297 HG2 ARG 981 2HG ARG 981 -8.596 -10.924 -0.485 298 HG3 ARG 981 1HG ARG 981 -8.656 -9.176 -0.258 299 HD2 ARG 981 2HD ARG 981 -7.661 -10.516 -2.788 300 HD3 ARG 981 1HD ARG 981 -9.309 -9.929 -2.572 301 HE ARG 981 HE ARG 981 -7.636 -7.799 -1.939 302 HH11 ARG 981 1HH2 ARG 981 -8.275 -9.859 -4.649 303 HH12 ARG 981 2HH2 ARG 981 -7.902 -8.648 -5.829 304 HH21 ARG 981 1HH1 ARG 981 -7.153 -6.212 -3.480 305 HH22 ARG 981 2HH1 ARG 981 -7.281 -6.579 -5.168 306 H ALA 982 H ALA 982 -4.515 -8.505 1.099 307 HA ALA 982 HA ALA 982 -2.430 -10.404 1.098 308 HB1 ALA 982 3HB ALA 982 -1.718 -7.783 2.251 309 HB2 ALA 982 1HB ALA 982 -2.602 -7.670 0.732 310 HB3 ALA 982 2HB ALA 982 -1.099 -8.575 0.814 311 H LEU 983 H LEU 983 -3.679 -8.396 3.723 312 HA LEU 983 HA LEU 983 -2.010 -9.483 5.731 313 HB2 LEU 983 2HB LEU 983 -4.535 -7.853 5.699 314 HB3 LEU 983 1HB LEU 983 -3.950 -8.515 7.220 315 HG LEU 983 HG LEU 983 -1.891 -7.313 7.062 316 HD11 LEU 983 1HD1 LEU 983 -2.702 -6.715 4.221 317 HD12 LEU 983 2HD1 LEU 983 -1.256 -7.543 4.773 318 HD13 LEU 983 3HD1 LEU 983 -1.446 -5.816 5.055 319 HD21 LEU 983 3HD2 LEU 983 -3.719 -5.928 7.828 320 HD22 LEU 983 1HD2 LEU 983 -4.215 -5.590 6.172 321 HD23 LEU 983 2HD2 LEU 983 -2.695 -4.949 6.783 322 H SER 984 H SER 984 -4.881 -10.576 4.174 323 HA SER 984 HA SER 984 -5.670 -12.421 6.255 324 HB2 SER 984 2HB SER 984 -7.404 -11.603 4.817 325 HB3 SER 984 1HB SER 984 -6.514 -12.081 3.375 326 HG SER 984 HG SER 984 -6.903 -14.182 3.825 327 H GLY 985 H GLY 985 -3.091 -12.365 4.188 328 HA2 GLY 985 2HA GLY 985 -1.466 -14.048 3.989 329 HA3 GLY 985 1HA GLY 985 -2.660 -15.245 4.475 330 H ALA 986 H ALA 986 -3.313 -12.898 1.959 331 HA ALA 986 HA ALA 986 -4.027 -14.894 0.062 332 HB1 ALA 986 3HB ALA 986 -3.506 -11.942 -0.204 333 HB2 ALA 986 1HB ALA 986 -5.052 -12.749 -0.110 334 HB3 ALA 986 2HB ALA 986 -4.060 -12.940 -1.542 335 H SER 987 H SER 987 -3.001 -15.539 -1.836 336 HA SER 987 HA SER 987 -0.075 -15.148 -1.844 337 HB2 SER 987 2HB SER 987 -1.818 -17.314 -3.023 338 HB3 SER 987 1HB SER 987 -0.096 -17.164 -3.364 339 HG SER 987 HG SER 987 0.305 -17.396 -1.155 340 H ASP 988 H ASP 988 -2.818 -14.007 -3.349 341 HA ASP 988 HA ASP 988 -2.371 -13.959 -6.052 342 HB2 ASP 988 2HB ASP 988 -3.196 -11.559 -4.397 343 HB3 ASP 988 1HB ASP 988 -3.569 -11.837 -6.095 344 HA PRO 989 HA PRO 989 1.574 -12.016 -6.656 345 HB2 PRO 989 2HB PRO 989 1.091 -10.508 -8.945 346 HB3 PRO 989 1HB PRO 989 1.414 -12.251 -8.943 347 HG2 PRO 989 2HG PRO 989 -1.206 -10.824 -9.058 348 HG3 PRO 989 1HG PRO 989 -0.657 -12.238 -9.979 349 HD2 PRO 989 2HD PRO 989 -2.296 -12.529 -7.880 350 HD3 PRO 989 1HD PRO 989 -1.000 -13.707 -8.180 351 H ASP 990 H ASP 990 -1.309 -10.011 -6.748 352 HA ASP 990 HA ASP 990 0.043 -7.527 -6.275 353 HB2 ASP 990 2HB ASP 990 -2.850 -8.363 -5.993 354 HB3 ASP 990 1HB ASP 990 -2.276 -6.714 -5.750 355 H SER 991 H SER 991 -1.209 -10.114 -4.299 356 HA SER 991 HA SER 991 -1.337 -8.645 -1.854 357 HB2 SER 991 2HB SER 991 -1.276 -11.590 -2.493 358 HB3 SER 991 1HB SER 991 -1.340 -10.982 -0.844 359 HG SER 991 HG SER 991 -3.133 -10.110 -2.852 360 H GLN 992 H GLN 992 1.057 -10.965 -3.164 361 HA GLN 992 HA GLN 992 2.851 -10.636 -0.982 362 HB2 GLN 992 2HB GLN 992 4.529 -11.485 -2.913 363 HB3 GLN 992 1HB GLN 992 3.404 -12.569 -2.102 364 HG2 GLN 992 2HG GLN 992 1.878 -12.531 -3.877 365 HG3 GLN 992 1HG GLN 992 2.588 -11.088 -4.587 366 HE21 GLN 992 1HE2 GLN 992 5.171 -11.553 -4.997 367 HE22 GLN 992 2HE2 GLN 992 5.465 -12.998 -5.840 368 H ARG 993 H ARG 993 2.507 -9.067 -4.136 369 HA ARG 993 HA ARG 993 4.861 -7.503 -3.997 370 HB2 ARG 993 2HB ARG 993 2.267 -7.302 -5.504 371 HB3 ARG 993 1HB ARG 993 3.406 -5.955 -5.563 372 HG2 ARG 993 2HG ARG 993 4.423 -8.751 -6.073 373 HG3 ARG 993 1HG ARG 993 3.551 -7.909 -7.356 374 HD2 ARG 993 2HD ARG 993 5.129 -6.076 -7.317 375 HD3 ARG 993 1HD ARG 993 5.923 -6.722 -5.887 376 HE ARG 993 HE ARG 993 5.927 -8.489 -8.200 377 HH11 ARG 993 1HH2 ARG 993 7.501 -5.993 -6.401 378 HH12 ARG 993 2HH2 ARG 993 9.080 -6.345 -7.020 379 HH21 ARG 993 1HH1 ARG 993 8.001 -8.972 -9.008 380 HH22 ARG 993 2HH1 ARG 993 9.359 -8.029 -8.497 381 H TYR 994 H TYR 994 1.543 -6.919 -2.864 382 HA TYR 994 HA TYR 994 1.961 -4.256 -2.011 383 HB2 TYR 994 2HB TYR 994 -0.291 -5.070 -2.207 384 HB3 TYR 994 1HB TYR 994 0.017 -6.366 -1.050 385 HD1 TYR 994 HD1 TYR 994 0.470 -2.633 -1.237 386 HD2 TYR 994 HD2 TYR 994 -0.768 -6.001 1.118 387 HE1 TYR 994 HE1 TYR 994 -0.120 -1.115 0.631 388 HE2 TYR 994 HE2 TYR 994 -1.375 -4.479 2.979 389 HH TYR 994 HH TYR 994 -1.108 -0.951 2.623 390 H ASN 995 H ASN 995 2.305 -7.370 -0.325 391 HA ASN 995 HA ASN 995 2.976 -6.349 2.208 392 HB2 ASN 995 2HB ASN 995 3.871 -8.879 0.804 393 HB3 ASN 995 1HB ASN 995 4.175 -8.538 2.506 394 HD21 ASN 995 1HD2 ASN 995 2.378 -10.617 1.109 395 HD22 ASN 995 2HD2 ASN 995 0.867 -10.413 1.857 396 H ALA 996 H ALA 996 4.942 -7.081 -0.650 397 HA ALA 996 HA ALA 996 7.459 -6.445 0.490 398 HB1 ALA 996 3HB ALA 996 6.645 -6.118 -2.386 399 HB2 ALA 996 1HB ALA 996 7.135 -7.658 -1.691 400 HB3 ALA 996 2HB ALA 996 8.274 -6.306 -1.769 401 H TRP 997 H TRP 997 5.079 -4.537 -1.328 402 HA TRP 997 HA TRP 997 6.525 -2.190 -1.567 403 HB2 TRP 997 2HB TRP 997 4.360 -2.425 -2.657 404 HB3 TRP 997 1HB TRP 997 3.548 -2.537 -1.094 405 HD1 TRP 997 HD TRP 997 5.676 -0.044 -3.129 406 HE1 TRP 997 HE1 TRP 997 4.991 2.348 -2.452 407 HE3 TRP 997 HE3 TRP 997 2.329 -1.101 0.581 408 HZ2 TRP 997 HZ2 TRP 997 3.255 3.641 -0.585 409 HZ3 TRP 997 HZ3 TRP 997 1.175 0.727 1.790 410 HH2 TRP 997 HH TRP 997 1.630 3.092 1.213 411 H LEU 998 H LEU 998 4.606 -3.414 1.151 412 HA LEU 998 HA LEU 998 4.960 -1.140 2.818 413 HB2 LEU 998 2HB LEU 998 4.418 -4.047 3.457 414 HB3 LEU 998 1HB LEU 998 4.507 -2.798 4.693 415 HG LEU 998 HG LEU 998 2.629 -2.654 2.312 416 HD11 LEU 998 1HD1 LEU 998 1.912 -4.568 3.528 417 HD12 LEU 998 2HD1 LEU 998 0.887 -3.253 4.103 418 HD13 LEU 998 3HD1 LEU 998 2.248 -3.805 5.084 419 HD21 LEU 998 3HD2 LEU 998 2.806 -0.470 3.185 420 HD22 LEU 998 1HD2 LEU 998 3.029 -1.042 4.838 421 HD23 LEU 998 2HD2 LEU 998 1.437 -1.109 4.086 422 H GLU 999 H GLU 999 6.799 -4.099 2.270 423 HA GLU 999 HA GLU 999 8.728 -3.743 4.304 424 HB2 GLU 999 2HB GLU 999 8.358 -5.857 3.014 425 HB3 GLU 999 1HB GLU 999 9.107 -5.097 1.609 426 HG2 GLU 999 2HG GLU 999 10.816 -6.375 2.718 427 HG3 GLU 999 1HG GLU 999 11.154 -4.680 3.053 428 H LEU1000 H LEU1000 8.749 -2.800 0.870 429 HA LEU1000 HA LEU1000 11.301 -1.596 0.844 430 HB2 LEU1000 2HB LEU1000 8.860 -0.879 -0.812 431 HB3 LEU1000 1HB LEU1000 10.520 -0.431 -1.182 432 HG LEU1000 HG LEU1000 9.356 -3.225 -1.119 433 HD11 LEU1000 1HD1 LEU1000 9.786 -3.249 -3.476 434 HD12 LEU1000 2HD1 LEU1000 10.662 -1.721 -3.391 435 HD13 LEU1000 3HD1 LEU1000 8.918 -1.755 -3.122 436 HD21 LEU1000 3HD2 LEU1000 12.204 -2.263 -1.255 437 HD22 LEU1000 1HD2 LEU1000 11.737 -3.770 -2.046 438 HD23 LEU1000 2HD2 LEU1000 11.523 -3.585 -0.308 439 H ARG1001 H ARG1001 8.083 -0.378 1.565 440 HA ARG1001 HA ARG1001 8.696 2.344 1.784 441 HB2 ARG1001 2HB ARG1001 6.421 1.654 1.693 442 HB3 ARG1001 1HB ARG1001 6.595 0.631 3.113 443 HG2 ARG1001 2HG ARG1001 6.842 2.520 4.555 444 HG3 ARG1001 1HG ARG1001 7.033 3.615 3.193 445 HD2 ARG1001 2HD ARG1001 4.710 3.176 2.507 446 HD3 ARG1001 1HD ARG1001 4.535 2.012 3.818 447 HE ARG1001 HE ARG1001 4.400 3.794 5.347 448 HH11 ARG1001 1HH2 ARG1001 5.148 4.870 2.136 449 HH12 ARG1001 2HH2 ARG1001 4.856 6.540 2.486 450 HH21 ARG1001 1HH1 ARG1001 4.022 5.983 5.802 451 HH22 ARG1001 2HH1 ARG1001 4.210 7.168 4.555 452 H ALA1002 H ALA1002 8.639 -0.191 4.272 453 HA ALA1002 HA ALA1002 9.398 1.533 6.384 454 HB1 ALA1002 3HB ALA1002 8.359 -0.803 6.558 455 HB2 ALA1002 1HB ALA1002 9.646 -0.421 7.701 456 HB3 ALA1002 2HB ALA1002 9.987 -1.424 6.291 457 H LYS1003 H LYS1003 11.137 -0.192 3.929 458 HA LYS1003 HA LYS1003 13.712 -0.094 5.168 459 HB2 LYS1003 2HB LYS1003 12.836 -0.499 2.313 460 HB3 LYS1003 1HB LYS1003 14.532 -0.513 2.788 461 HG2 LYS1003 2HG LYS1003 12.559 -2.250 4.263 462 HG3 LYS1003 1HG LYS1003 13.192 -2.779 2.708 463 HD2 LYS1003 2HD LYS1003 15.512 -2.472 3.617 464 HD3 LYS1003 1HD LYS1003 14.801 -2.109 5.191 465 HE2 LYS1003 2HE LYS1003 14.328 -4.667 3.641 466 HE3 LYS1003 1HE LYS1003 15.459 -4.502 4.985 467 HZ1 LYS1003 3HZ LYS1003 12.516 -4.350 5.011 468 HZ2 LYS1003 1HZ LYS1003 13.422 -3.597 6.233 469 HZ3 LYS1003 2HZ LYS1003 13.548 -5.274 5.995 470 H ARG1004 H ARG1004 12.150 2.008 2.738 471 HA ARG1004 HA ARG1004 14.415 3.710 2.454 472 HB2 ARG1004 2HB ARG1004 12.818 5.283 1.374 473 HB3 ARG1004 1HB ARG1004 12.740 3.650 0.715 474 HG2 ARG1004 2HG ARG1004 10.805 3.159 2.114 475 HG3 ARG1004 1HG ARG1004 10.862 4.777 2.808 476 HD2 ARG1004 2HD ARG1004 10.487 4.163 -0.135 477 HD3 ARG1004 1HD ARG1004 9.187 4.584 0.975 478 HE ARG1004 HE ARG1004 11.072 6.397 -0.222 479 HH11 ARG1004 1HH2 ARG1004 9.085 5.752 2.535 480 HH12 ARG1004 2HH2 ARG1004 8.925 7.416 2.982 481 HH21 ARG1004 1HH1 ARG1004 10.867 8.585 0.357 482 HH22 ARG1004 2HH1 ARG1004 9.932 9.021 1.748 483 H LEU1005 H LEU1005 11.609 3.744 4.584 484 HA LEU1005 HA LEU1005 11.980 6.337 5.654 485 HB2 LEU1005 2HB LEU1005 10.727 3.849 6.832 486 HB3 LEU1005 1HB LEU1005 10.688 5.423 7.624 487 HG LEU1005 HG LEU1005 9.659 4.926 4.816 488 HD11 LEU1005 1HD1 LEU1005 7.389 5.140 5.945 489 HD12 LEU1005 2HD1 LEU1005 8.231 4.933 7.482 490 HD13 LEU1005 3HD1 LEU1005 8.261 3.643 6.279 491 HD21 LEU1005 3HD2 LEU1005 9.740 7.300 6.665 492 HD22 LEU1005 1HD2 LEU1005 8.356 7.125 5.585 493 HD23 LEU1005 2HD2 LEU1005 9.982 7.228 4.922 494 H SER1006 H SER1006 13.421 3.225 6.359 495 HA SER1006 HA SER1006 15.514 4.526 7.922 496 HB2 SER1006 2HB SER1006 13.712 2.393 9.084 497 HB3 SER1006 1HB SER1006 15.261 2.857 9.777 498 HG SER1006 HG SER1006 14.368 5.054 9.772
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