REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3g3h_1_B DATA FIRST_RESID 1 DATA SEQUENCE GSNRSLIVTT ILEEPYVLFK KSDKPLYGND RFEGYCIDLL RELSTILGFT DATA SEQUENCE YEIRLVEDGK YGAQDDVNGQ WNGMVRELID HKADLAVAPL AITYVREKVI DATA SEQUENCE DFSKPFMTLG ISILYRKGTP IDSADDLAKQ TKIEYGAVED GATMTFFKRS DATA SEQUENCE KISTYDKMWA FMSSRRQSVL VKSNEEGIQR VLTSDYAFLM ESTTIEFVTQ DATA SEQUENCE RNcNLTQIGG LIDSKGYGVG TPMGSPYRDK ITLAILKLQE EGKLHMMKEK DATA SEQUENCE WWXXXXc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.968 3.960 0.013 0.000 0.244 1 G C 0.000 174.911 174.900 0.019 0.000 0.946 1 G CA 0.000 45.108 45.100 0.014 0.000 0.502 2 S N 0.862 116.574 115.700 0.020 0.000 2.617 2 S HA 0.113 4.601 4.470 0.030 0.000 0.269 2 S C -0.342 174.280 174.600 0.036 0.000 1.292 2 S CA -0.916 57.301 58.200 0.028 0.000 1.010 2 S CB 0.904 64.119 63.200 0.025 0.000 0.944 2 S HN -0.459 7.861 8.310 0.017 0.000 0.536 3 N N 2.556 121.287 118.700 0.050 0.000 2.479 3 N HA -0.020 4.753 4.740 0.054 0.000 0.257 3 N C -0.346 175.201 175.510 0.061 0.000 1.232 3 N CA -0.130 52.958 53.050 0.062 0.000 0.920 3 N CB 0.530 39.071 38.487 0.090 0.000 1.105 3 N HN 0.127 8.540 8.380 0.055 0.000 0.444 4 R N 2.033 122.566 120.500 0.055 0.000 2.585 4 R HA -0.190 4.172 4.340 0.038 0.000 0.275 4 R C -0.240 176.094 176.300 0.056 0.000 1.018 4 R CA 0.607 56.734 56.100 0.045 0.000 1.072 4 R CB 0.630 30.952 30.300 0.037 0.000 0.953 4 R HN 0.023 8.325 8.270 0.054 0.000 0.419 5 S N 2.236 117.965 115.700 0.049 0.000 2.562 5 S HA -0.066 4.591 4.470 0.104 -0.125 0.281 5 S C -0.019 174.602 174.600 0.034 0.000 1.333 5 S CA -0.320 57.920 58.200 0.066 0.000 1.052 5 S CB 0.513 63.742 63.200 0.048 0.000 0.884 5 S HN -0.016 8.317 8.310 0.038 0.000 0.506 6 L N 3.392 124.628 121.223 0.022 0.000 2.380 6 L HA -0.074 4.328 4.340 -0.135 -0.142 0.273 6 L C -0.144 176.697 176.870 -0.048 0.000 1.138 6 L CA -0.130 54.640 54.840 -0.116 0.000 0.832 6 L CB 0.456 42.275 42.059 -0.401 0.000 1.124 6 L HN 0.234 8.517 8.230 0.089 0.000 0.454 7 I N 3.038 123.556 120.570 -0.086 0.000 2.352 7 I HA 0.169 4.487 4.170 -0.017 -0.158 0.290 7 I C -0.366 175.683 176.117 -0.114 0.000 1.036 7 I CA -2.244 59.020 61.300 -0.061 0.000 1.336 7 I CB -1.230 36.737 38.000 -0.055 0.000 1.407 7 I HN 0.319 8.796 8.210 -0.109 -0.333 0.497 8 V N 9.061 128.921 119.914 -0.090 0.000 2.334 8 V HA 0.444 4.660 4.120 -0.186 -0.207 0.281 8 V C -0.882 175.120 176.094 -0.153 0.000 1.016 8 V CA -1.537 60.674 62.300 -0.149 0.000 0.832 8 V CB 1.648 33.377 31.823 -0.157 0.000 0.999 8 V HN 0.561 8.727 8.190 -0.041 0.000 0.439 9 T N 8.973 123.430 114.554 -0.161 0.000 2.897 9 T HA 0.747 5.256 4.350 -0.158 -0.254 0.294 9 T C -0.699 173.882 174.700 -0.198 0.000 1.004 9 T CA -0.613 61.389 62.100 -0.163 0.000 1.106 9 T CB 0.854 69.640 68.868 -0.138 0.000 0.949 9 T HN 0.275 8.416 8.240 -0.164 0.000 0.520 10 T N 4.886 119.302 114.554 -0.229 0.000 2.671 10 T HA 0.373 4.582 4.350 -0.236 0.000 0.300 10 T C -2.639 171.895 174.700 -0.275 0.000 1.238 10 T CA -2.141 59.801 62.100 -0.263 0.000 1.020 10 T CB 1.810 70.486 68.868 -0.319 0.000 1.503 10 T HN -0.286 7.820 8.240 -0.223 0.000 0.497 11 I N -0.231 120.165 120.570 -0.290 0.000 2.827 11 I HA 0.229 4.250 4.170 -0.249 0.000 0.298 11 I C -2.592 173.395 176.117 -0.217 0.000 1.235 11 I CA -1.616 59.513 61.300 -0.286 0.000 1.021 11 I CB 4.010 41.729 38.000 -0.469 0.000 1.259 11 I HN 0.152 8.196 8.210 -0.278 0.000 0.427 12 L N 4.550 125.674 121.223 -0.164 0.000 2.410 12 L HA -0.075 4.297 4.340 -0.152 -0.124 0.273 12 L C -0.922 175.926 176.870 -0.038 0.000 1.144 12 L CA 0.299 55.067 54.840 -0.119 0.000 0.863 12 L CB 0.131 42.133 42.059 -0.096 0.000 1.140 12 L HN 0.198 8.339 8.230 -0.149 0.000 0.463 13 E N 4.186 124.381 120.200 -0.009 0.000 2.531 13 E HA 0.137 4.535 4.350 0.080 0.000 0.323 13 E C -2.353 174.266 176.600 0.033 0.000 0.908 13 E CA -0.953 55.499 56.400 0.086 0.000 0.792 13 E CB 3.435 33.253 29.700 0.197 0.000 1.360 13 E HN 0.115 8.449 8.360 -0.043 0.000 0.394 14 E N 5.960 126.093 120.200 -0.112 0.000 2.360 14 E HA 0.037 4.149 4.350 -0.395 0.000 0.269 14 E C -1.184 174.909 176.600 -0.845 0.000 1.022 14 E CA -2.687 53.472 56.400 -0.400 0.000 0.887 14 E CB 0.926 30.430 29.700 -0.326 0.000 0.990 14 E HN 0.250 8.571 8.360 -0.065 0.000 0.426 15 P HA 0.275 4.250 4.420 -0.742 0.000 0.259 15 P C -0.517 176.286 177.300 -0.828 0.000 1.530 15 P CA -0.066 62.399 63.100 -1.059 0.000 1.022 15 P CB 0.230 31.162 31.700 -1.280 0.000 1.514 16 Y N 0.743 120.789 120.300 -0.424 0.000 2.176 16 Y HA -0.101 4.348 4.550 -0.168 0.000 0.291 16 Y C 0.295 176.003 175.900 -0.320 0.000 1.122 16 Y CA 4.093 62.042 58.100 -0.252 0.000 1.128 16 Y CB 0.674 39.061 38.460 -0.121 0.000 1.005 16 Y HN -0.332 7.560 8.280 -0.520 0.076 0.509 17 V N -3.844 115.994 119.914 -0.126 0.000 2.612 17 V HA 0.404 4.539 4.120 -0.216 -0.144 0.301 17 V C -1.835 174.164 176.094 -0.159 0.000 1.059 17 V CA -0.727 61.467 62.300 -0.176 0.000 0.886 17 V CB 2.466 34.180 31.823 -0.183 0.000 1.007 17 V HN -0.400 7.746 8.190 -0.074 0.000 0.426 18 L N 3.563 124.709 121.223 -0.129 0.000 2.409 18 L HA 0.427 4.702 4.340 -0.108 0.000 0.255 18 L C -1.495 175.359 176.870 -0.027 0.000 1.027 18 L CA -1.150 53.642 54.840 -0.080 0.000 0.834 18 L CB 4.149 46.192 42.059 -0.028 0.000 1.426 18 L HN 0.452 8.613 8.230 -0.116 0.000 0.411 19 F N 0.204 120.185 119.950 0.051 0.000 2.456 19 F HA 0.095 4.703 4.527 -0.137 -0.164 0.358 19 F C 0.751 176.532 175.800 -0.032 0.000 1.095 19 F CA 0.002 57.968 58.000 -0.058 0.000 1.216 19 F CB 0.694 39.636 39.000 -0.097 0.000 1.125 19 F HN 0.108 8.441 8.300 0.054 0.000 0.549 20 K N 4.218 124.714 120.400 0.159 0.000 2.485 20 K HA -0.215 4.180 4.320 0.124 0.000 0.277 20 K C 0.176 176.818 176.600 0.069 0.000 0.990 20 K CA 0.734 57.085 56.287 0.106 0.000 0.994 20 K CB 0.432 32.975 32.500 0.072 0.000 0.906 20 K HN -0.114 8.216 8.250 0.133 0.000 0.488 21 K N 3.404 123.843 120.400 0.064 0.000 2.297 21 K HA 0.054 4.384 4.320 0.017 0.000 0.286 21 K C -0.323 176.283 176.600 0.009 0.000 1.053 21 K CA 0.514 56.819 56.287 0.031 0.000 0.940 21 K CB 0.418 32.943 32.500 0.041 0.000 1.019 21 K HN 0.302 8.601 8.250 0.081 0.000 0.475 22 S N 2.845 118.534 115.700 -0.020 0.000 2.535 22 S HA 0.170 4.632 4.470 -0.014 0.000 0.272 22 S C -0.523 174.051 174.600 -0.043 0.000 1.149 22 S CA -1.152 57.031 58.200 -0.028 0.000 0.888 22 S CB 1.229 64.404 63.200 -0.041 0.000 1.110 22 S HN 0.316 8.606 8.310 -0.034 0.000 0.463 23 D N 2.763 123.144 120.400 -0.031 0.000 2.249 23 D HA 0.024 4.639 4.640 -0.041 0.000 0.205 23 D C 0.065 176.341 176.300 -0.041 0.000 0.962 23 D CA 1.041 55.020 54.000 -0.035 0.000 0.860 23 D CB 0.391 41.179 40.800 -0.021 0.000 0.955 23 D HN 0.125 8.482 8.370 -0.021 0.000 0.505 24 K N 1.700 122.078 120.400 -0.037 0.000 2.339 24 K HA 0.271 4.574 4.320 -0.027 0.000 0.286 24 K C -2.409 174.141 176.600 -0.083 0.000 1.050 24 K CA -2.384 53.882 56.287 -0.036 0.000 0.956 24 K CB 0.965 33.457 32.500 -0.012 0.000 0.990 24 K HN -0.567 7.665 8.250 -0.030 0.000 0.475 25 P HA -0.046 4.207 4.420 -0.278 0.000 0.264 25 P C -1.491 175.597 177.300 -0.352 0.000 1.193 25 P CA 0.239 63.189 63.100 -0.250 0.000 0.763 25 P CB 0.486 32.056 31.700 -0.217 0.000 0.810 26 L N 0.948 121.877 121.223 -0.489 0.000 2.319 26 L HA 0.218 4.424 4.340 -0.223 0.000 0.267 26 L C -1.018 175.458 176.870 -0.657 0.000 1.011 26 L CA -0.968 53.636 54.840 -0.392 0.000 0.818 26 L CB 2.212 44.149 42.059 -0.204 0.000 1.316 26 L HN -0.342 7.596 8.230 -0.486 0.000 0.432 27 Y N -0.623 119.650 120.300 -0.045 0.000 2.545 27 Y HA 0.128 4.655 4.550 -0.039 0.000 0.348 27 Y C 0.495 176.395 175.900 -0.000 0.000 1.002 27 Y CA -0.615 57.468 58.100 -0.028 0.000 1.039 27 Y CB 3.198 41.648 38.460 -0.017 0.000 1.271 27 Y HN 0.172 8.493 8.280 0.068 0.000 0.467 28 G N 1.608 110.522 108.800 0.189 0.000 2.564 28 G HA2 -0.504 3.567 3.960 0.185 0.000 0.273 28 G HA3 -0.504 3.547 3.960 0.153 0.000 0.273 28 G C 0.937 175.962 174.900 0.208 0.000 1.242 28 G CA 0.780 45.985 45.100 0.175 0.000 0.951 28 G HN 0.170 8.579 8.290 0.198 0.000 0.564 29 N N 2.809 121.635 118.700 0.210 0.000 2.364 29 N HA -0.261 4.778 4.740 0.499 0.000 0.183 29 N C 1.655 177.322 175.510 0.262 0.000 1.022 29 N CA 2.288 55.522 53.050 0.308 0.000 0.883 29 N CB -0.520 38.074 38.487 0.178 0.000 0.965 29 N HN 0.324 8.792 8.380 0.147 0.000 0.438 30 D N 0.693 121.176 120.400 0.138 0.000 2.309 30 D HA -0.194 4.512 4.640 0.110 0.000 0.212 30 D C 1.409 177.726 176.300 0.027 0.000 0.968 30 D CA 1.850 55.904 54.000 0.091 0.000 0.882 30 D CB -0.183 40.661 40.800 0.073 0.000 0.918 30 D HN -0.575 7.837 8.370 0.121 0.031 0.503 31 R N -2.375 118.073 120.500 -0.087 0.000 2.189 31 R HA -0.268 3.967 4.340 -0.175 0.000 0.223 31 R C -0.124 176.018 176.300 -0.263 0.000 1.092 31 R CA 2.612 58.549 56.100 -0.270 0.000 0.989 31 R CB 0.387 30.362 30.300 -0.542 0.000 0.876 31 R HN -0.643 7.540 8.270 -0.070 0.045 0.457 32 F N -4.048 115.967 119.950 0.108 0.000 2.458 32 F HA 0.780 5.494 4.527 -0.000 -0.186 0.330 32 F C -0.924 174.884 175.800 0.015 0.000 1.082 32 F CA -1.695 56.317 58.000 0.020 0.000 0.995 32 F CB 2.868 41.840 39.000 -0.046 0.000 1.170 32 F HN -0.752 7.583 8.300 0.139 0.048 0.478 33 E N -2.465 117.827 120.200 0.152 0.000 2.449 33 E HA 0.368 4.765 4.350 0.080 0.000 0.278 33 E C -2.013 174.415 176.600 -0.287 0.000 0.992 33 E CA -1.778 54.649 56.400 0.046 0.000 0.807 33 E CB 3.764 33.586 29.700 0.204 0.000 1.350 33 E HN 0.291 8.728 8.360 0.127 0.000 0.462 34 G N -2.704 105.646 108.800 -0.751 0.000 2.361 34 G HA2 -0.196 1.924 3.960 -3.066 0.000 0.331 34 G HA3 -0.196 3.289 3.960 -1.019 -0.136 0.331 34 G C -1.417 172.673 174.900 -1.350 0.000 1.324 34 G CA -0.398 43.721 45.100 -1.634 0.000 0.984 34 G HN -0.247 7.736 8.290 -0.513 0.000 0.586 35 Y N 0.754 120.192 120.300 -1.437 0.000 2.128 35 Y HA -0.321 3.948 4.550 -0.467 0.000 0.284 35 Y C 1.216 176.966 175.900 -0.251 0.000 1.154 35 Y CA 4.021 61.785 58.100 -0.560 0.000 1.149 35 Y CB 0.676 39.131 38.460 -0.008 0.000 0.976 35 Y HN -0.219 7.360 8.280 -1.169 0.000 0.505 36 C N -2.981 116.342 119.300 0.038 0.000 2.432 36 C HA -0.467 3.925 4.460 -0.114 0.000 0.280 36 C C 1.682 176.542 174.990 -0.216 0.000 1.353 36 C CA 4.639 63.609 59.018 -0.079 0.000 1.766 36 C CB -0.300 27.426 27.740 -0.023 0.000 1.924 36 C HN -0.335 7.833 8.230 0.075 0.107 0.509 37 I N 0.667 121.107 120.570 -0.217 0.000 2.252 37 I HA -0.490 3.584 4.170 -0.159 0.000 0.245 37 I C 1.707 177.752 176.117 -0.120 0.000 1.102 37 I CA 2.415 63.623 61.300 -0.153 0.000 1.385 37 I CB -1.175 36.774 38.000 -0.086 0.000 1.064 37 I HN -0.642 7.418 8.210 -0.250 0.000 0.414 38 D N -0.274 120.050 120.400 -0.125 0.000 2.144 38 D HA -0.260 4.379 4.640 -0.002 0.000 0.199 38 D C 2.452 178.646 176.300 -0.176 0.000 0.984 38 D CA 3.411 57.370 54.000 -0.068 0.000 0.834 38 D CB -0.258 40.565 40.800 0.039 0.000 0.955 38 D HN -0.190 8.079 8.370 -0.169 0.000 0.465 39 L N 0.653 121.685 121.223 -0.319 0.000 2.017 39 L HA -0.227 3.926 4.340 -0.311 0.000 0.208 39 L C 1.469 178.189 176.870 -0.250 0.000 1.073 39 L CA 2.803 57.437 54.840 -0.343 0.000 0.745 39 L CB -0.181 41.574 42.059 -0.505 0.000 0.894 39 L HN -0.355 7.645 8.230 -0.383 0.000 0.432 40 L N -1.488 119.576 121.223 -0.264 0.000 2.042 40 L HA -0.421 3.766 4.340 -0.256 0.000 0.210 40 L C 1.727 178.416 176.870 -0.300 0.000 1.076 40 L CA 3.179 57.836 54.840 -0.304 0.000 0.749 40 L CB -0.619 41.189 42.059 -0.418 0.000 0.893 40 L HN -0.242 7.824 8.230 -0.274 0.000 0.432 41 R N -1.633 118.763 120.500 -0.173 0.000 2.083 41 R HA -0.367 3.993 4.340 0.034 0.000 0.237 41 R C 2.809 179.052 176.300 -0.096 0.000 1.137 41 R CA 3.687 59.758 56.100 -0.049 0.000 0.951 41 R CB -0.398 29.915 30.300 0.022 0.000 0.851 41 R HN -0.349 7.833 8.270 -0.145 0.000 0.434 42 E N -0.402 119.734 120.200 -0.106 0.000 2.077 42 E HA -0.220 4.087 4.350 -0.072 0.000 0.193 42 E C 2.577 179.109 176.600 -0.115 0.000 0.989 42 E CA 2.583 58.928 56.400 -0.091 0.000 0.800 42 E CB -0.295 29.358 29.700 -0.079 0.000 0.746 42 E HN -0.558 7.734 8.360 -0.114 0.000 0.452 43 L N -1.324 119.823 121.223 -0.127 0.000 2.046 43 L HA -0.429 3.897 4.340 -0.024 0.000 0.208 43 L C 2.150 178.829 176.870 -0.320 0.000 1.077 43 L CA 3.552 58.342 54.840 -0.082 0.000 0.747 43 L CB -0.611 41.480 42.059 0.053 0.000 0.896 43 L HN 0.021 8.171 8.230 -0.134 0.000 0.432 44 S N -1.291 114.024 115.700 -0.642 0.000 2.368 44 S HA -0.312 2.629 4.470 -2.548 0.000 0.225 44 S C 1.984 176.253 174.600 -0.552 0.000 1.030 44 S CA 3.431 60.931 58.200 -1.167 0.000 0.999 44 S CB -0.339 62.546 63.200 -0.524 0.000 0.844 44 S HN -0.170 7.864 8.310 -0.462 0.000 0.459 45 T N 0.600 114.993 114.554 -0.268 0.000 2.812 45 T HA -0.141 4.130 4.350 -0.132 0.000 0.264 45 T C 1.776 176.418 174.700 -0.097 0.000 1.042 45 T CA 3.018 65.034 62.100 -0.140 0.000 1.140 45 T CB 0.230 69.051 68.868 -0.078 0.000 0.870 45 T HN -0.595 7.508 8.240 -0.228 0.000 0.445 46 I N 0.658 121.178 120.570 -0.084 0.000 2.179 46 I HA -0.311 3.850 4.170 -0.015 0.000 0.242 46 I C 1.098 177.219 176.117 0.008 0.000 1.088 46 I CA 3.001 64.287 61.300 -0.024 0.000 1.357 46 I CB 0.200 38.199 38.000 -0.001 0.000 1.051 46 I HN -0.461 7.688 8.210 -0.102 0.000 0.409 47 L N -4.798 116.437 121.223 0.019 0.000 2.446 47 L HA -0.029 4.393 4.340 0.137 0.000 0.219 47 L C 0.426 177.386 176.870 0.151 0.000 1.116 47 L CA 0.015 54.943 54.840 0.148 0.000 0.844 47 L CB 0.859 43.145 42.059 0.378 0.000 0.970 47 L HN -0.339 7.867 8.230 -0.040 0.000 0.457 48 G N -1.705 107.098 108.800 0.005 0.000 2.326 48 G HA2 -0.293 3.686 3.960 -0.026 0.000 0.286 48 G HA3 -0.293 3.709 3.960 0.070 0.000 0.286 48 G C -0.684 174.309 174.900 0.156 0.000 1.096 48 G CA 0.078 45.199 45.100 0.036 0.000 1.003 48 G HN -0.521 7.705 8.290 -0.107 0.000 0.503 49 F N -3.764 116.252 119.950 0.109 0.000 2.593 49 F HA 0.597 5.185 4.527 0.102 0.000 0.320 49 F C -2.247 173.630 175.800 0.127 0.000 1.060 49 F CA -3.346 54.722 58.000 0.113 0.000 0.940 49 F CB 1.929 40.992 39.000 0.105 0.000 1.268 49 F HN -0.684 7.386 8.300 -0.384 0.000 0.475 50 T N -3.297 111.466 114.554 0.348 0.000 2.936 50 T HA 0.242 4.673 4.350 0.135 0.000 0.282 50 T C -1.364 173.570 174.700 0.391 0.000 1.003 50 T CA -1.998 60.231 62.100 0.215 0.000 1.005 50 T CB 2.147 71.037 68.868 0.038 0.000 1.097 50 T HN -0.022 8.412 8.240 0.323 0.000 0.532 51 Y N -4.606 115.787 120.300 0.155 0.000 2.638 51 Y HA 0.804 5.655 4.550 0.077 -0.255 0.335 51 Y C -2.264 173.671 175.900 0.058 0.000 1.155 51 Y CA -1.893 56.275 58.100 0.113 0.000 1.046 51 Y CB 3.248 41.816 38.460 0.180 0.000 1.303 51 Y HN -0.121 7.978 8.280 -0.302 0.000 0.460 52 E N 1.225 121.544 120.200 0.198 0.000 2.244 52 E HA 0.391 4.947 4.350 0.104 -0.143 0.260 52 E C -1.113 175.572 176.600 0.141 0.000 0.884 52 E CA -1.891 54.586 56.400 0.129 0.000 0.777 52 E CB 4.042 33.783 29.700 0.069 0.000 1.197 52 E HN 0.298 8.778 8.360 0.199 0.000 0.416 53 I N 7.308 127.969 120.570 0.152 0.000 2.496 53 I HA 0.082 4.384 4.170 -0.063 -0.169 0.285 53 I C -0.040 176.059 176.117 -0.030 0.000 1.080 53 I CA 0.802 62.090 61.300 -0.021 0.000 1.404 53 I CB 0.164 38.045 38.000 -0.198 0.000 1.403 53 I HN 0.235 8.902 8.210 0.201 -0.336 0.539 54 R N 7.136 127.578 120.500 -0.096 0.000 2.532 54 R HA 0.364 4.721 4.340 0.029 0.000 0.297 54 R C -1.546 174.688 176.300 -0.110 0.000 0.984 54 R CA -1.907 54.167 56.100 -0.043 0.000 0.884 54 R CB 3.012 33.303 30.300 -0.014 0.000 1.182 54 R HN 0.506 8.696 8.270 -0.133 0.000 0.442 55 L N 3.988 125.171 121.223 -0.065 0.000 2.455 55 L HA 0.005 4.417 4.340 -0.171 -0.174 0.272 55 L C 0.644 177.475 176.870 -0.065 0.000 1.174 55 L CA -0.233 54.552 54.840 -0.092 0.000 0.869 55 L CB 0.576 42.631 42.059 -0.007 0.000 1.130 55 L HN 0.403 8.645 8.230 0.020 0.000 0.474 56 V N 4.245 124.096 119.914 -0.105 0.000 2.625 56 V HA -0.455 3.895 4.120 -0.073 -0.274 0.305 56 V C 1.031 177.099 176.094 -0.043 0.000 1.055 56 V CA 1.603 63.853 62.300 -0.084 0.000 1.209 56 V CB 0.978 32.727 31.823 -0.123 0.000 0.877 56 V HN 0.261 8.365 8.190 -0.144 0.000 0.489 57 E N 9.710 129.898 120.200 -0.021 0.000 2.110 57 E HA -0.245 4.110 4.350 0.009 0.000 0.193 57 E C 0.724 177.328 176.600 0.006 0.000 0.988 57 E CA 2.582 58.983 56.400 0.002 0.000 0.804 57 E CB -0.165 29.541 29.700 0.009 0.000 0.745 57 E HN 0.130 8.772 8.360 -0.022 -0.295 0.458 58 D N -4.875 115.527 120.400 0.003 0.000 2.339 58 D HA -0.027 4.625 4.640 0.020 0.000 0.217 58 D C 0.840 177.146 176.300 0.010 0.000 1.050 58 D CA -0.613 53.395 54.000 0.015 0.000 0.856 58 D CB -0.872 39.944 40.800 0.027 0.000 0.922 58 D HN -0.417 7.952 8.370 -0.002 0.000 0.518 59 G N 0.122 108.913 108.800 -0.015 0.000 2.168 59 G HA2 -0.522 3.404 3.960 -0.057 0.000 0.257 59 G HA3 -0.522 3.436 3.960 -0.003 0.000 0.257 59 G C -0.942 173.934 174.900 -0.039 0.000 0.997 59 G CA 0.725 45.807 45.100 -0.030 0.000 0.708 59 G HN -0.412 7.703 8.290 -0.027 0.159 0.520 60 K N -1.688 118.689 120.400 -0.037 0.000 2.281 60 K HA 0.347 4.708 4.320 0.069 0.000 0.242 60 K C -0.672 175.894 176.600 -0.055 0.000 0.971 60 K CA -2.178 54.121 56.287 0.021 0.000 0.834 60 K CB 2.492 35.047 32.500 0.093 0.000 1.181 60 K HN -0.793 7.640 8.250 -0.036 -0.204 0.435 61 Y N -0.312 120.026 120.300 0.064 0.000 2.138 61 Y HA -0.188 4.382 4.550 0.034 0.000 0.286 61 Y C 0.229 176.194 175.900 0.108 0.000 1.115 61 Y CA 2.736 60.875 58.100 0.064 0.000 1.105 61 Y CB 1.109 39.609 38.460 0.067 0.000 1.004 61 Y HN 0.397 8.906 8.280 0.382 0.000 0.494 62 G N -6.776 102.223 108.800 0.332 0.000 2.326 62 G HA2 -0.131 4.302 3.960 0.301 0.000 0.299 62 G HA3 -0.131 4.090 3.960 0.374 -0.037 0.299 62 G C -3.060 172.094 174.900 0.424 0.000 1.643 62 G CA -0.056 45.256 45.100 0.354 0.000 0.916 62 G HN -0.542 7.959 8.290 0.351 0.000 0.700 63 A N 3.146 126.132 122.820 0.278 0.000 2.594 63 A HA 0.491 4.777 4.320 -0.056 0.000 0.291 63 A C -2.466 174.796 177.584 -0.536 0.000 1.105 63 A CA -0.900 51.094 52.037 -0.071 0.000 0.694 63 A CB 3.881 22.854 19.000 -0.046 0.000 1.291 63 A HN 0.395 8.991 8.150 0.230 -0.308 0.410 64 Q N 0.207 119.374 119.800 -1.055 0.000 2.257 64 Q HA 0.109 3.949 4.340 -1.123 -0.174 0.255 64 Q C -0.960 174.750 176.000 -0.483 0.000 0.920 64 Q CA -1.278 53.862 55.803 -1.104 0.000 0.927 64 Q CB 2.213 30.086 28.738 -1.441 0.000 1.229 64 Q HN 0.312 8.003 8.270 -0.965 0.000 0.433 65 D N 5.708 125.915 120.400 -0.321 0.000 2.383 65 D HA -0.088 4.477 4.640 -0.126 0.000 0.252 65 D C 0.303 176.518 176.300 -0.142 0.000 1.166 65 D CA 0.593 54.496 54.000 -0.161 0.000 0.879 65 D CB 1.937 42.678 40.800 -0.099 0.000 1.164 65 D HN -0.055 8.119 8.370 -0.327 0.000 0.462 66 D N 5.022 125.367 120.400 -0.092 0.000 2.289 66 D HA -0.160 4.424 4.640 -0.093 0.000 0.207 66 D C 0.669 176.944 176.300 -0.040 0.000 0.966 66 D CA 1.948 55.906 54.000 -0.069 0.000 0.868 66 D CB -0.227 40.550 40.800 -0.038 0.000 0.943 66 D HN 0.074 8.404 8.370 -0.068 0.000 0.514 67 V N 0.045 119.941 119.914 -0.030 0.000 2.302 67 V HA -0.223 3.890 4.120 -0.012 0.000 0.243 67 V C 0.863 176.946 176.094 -0.019 0.000 1.036 67 V CA 2.008 64.298 62.300 -0.017 0.000 1.020 67 V CB 0.731 32.550 31.823 -0.007 0.000 0.657 67 V HN -0.307 8.034 8.190 -0.031 -0.169 0.453 68 N N -1.986 116.698 118.700 -0.026 0.000 2.205 68 N HA 0.031 4.766 4.740 -0.010 0.000 0.201 68 N C 0.731 176.227 175.510 -0.023 0.000 1.128 68 N CA -0.373 52.667 53.050 -0.017 0.000 0.867 68 N CB 0.789 39.271 38.487 -0.009 0.000 0.996 68 N HN -0.339 8.288 8.380 -0.034 -0.268 0.503 69 G N -0.478 108.289 108.800 -0.056 0.000 2.162 69 G HA2 -0.490 3.486 3.960 -0.113 0.000 0.260 69 G HA3 -0.490 3.453 3.960 -0.029 0.000 0.260 69 G C -0.552 174.306 174.900 -0.070 0.000 0.976 69 G CA 0.624 45.683 45.100 -0.070 0.000 0.655 69 G HN -0.252 7.995 8.290 -0.072 0.000 0.533 70 Q N -0.700 119.064 119.800 -0.060 0.000 2.259 70 Q HA 0.197 4.598 4.340 0.101 0.000 0.249 70 Q C -0.500 175.460 176.000 -0.067 0.000 0.914 70 Q CA -1.401 54.411 55.803 0.015 0.000 0.904 70 Q CB 1.098 29.857 28.738 0.035 0.000 1.213 70 Q HN -0.120 8.411 8.270 -0.062 -0.297 0.428 71 W N 1.041 122.347 121.300 0.010 0.000 2.253 71 W HA 0.331 5.200 4.660 0.019 -0.197 0.348 71 W C 0.041 176.569 176.519 0.016 0.000 1.229 71 W CA -0.396 56.958 57.345 0.014 0.000 1.335 71 W CB 2.120 31.584 29.460 0.007 0.000 1.165 71 W HN 0.323 8.752 8.180 0.415 0.000 0.631 72 N N -3.073 115.807 118.700 0.299 0.000 3.167 72 N HA 0.541 5.375 4.740 0.157 0.000 0.323 72 N C 0.116 175.740 175.510 0.190 0.000 1.478 72 N CA -1.716 51.444 53.050 0.185 0.000 0.753 72 N CB 2.305 40.859 38.487 0.111 0.000 1.721 72 N HN -0.184 8.412 8.380 0.359 0.000 0.618 73 G N -2.120 106.746 108.800 0.111 0.000 2.601 73 G HA2 -0.453 3.803 3.960 0.034 0.000 0.252 73 G HA3 -0.453 3.729 3.960 0.100 -0.161 0.252 73 G C 0.410 175.328 174.900 0.029 0.000 1.294 73 G CA 0.611 45.753 45.100 0.070 0.000 0.912 73 G HN 0.012 8.760 8.290 0.088 -0.405 0.574 74 M N 2.220 121.814 119.600 -0.010 0.000 2.213 74 M HA -0.425 4.011 4.480 -0.073 0.000 0.263 74 M C 2.166 178.428 176.300 -0.064 0.000 1.062 74 M CA 4.068 59.334 55.300 -0.058 0.000 1.105 74 M CB 0.114 32.660 32.600 -0.089 0.000 1.385 74 M HN -0.383 7.898 8.290 -0.014 0.000 0.417 75 V N -0.649 119.250 119.914 -0.025 0.000 2.295 75 V HA -0.580 3.409 4.120 -0.218 0.000 0.246 75 V C 1.538 177.559 176.094 -0.123 0.000 1.049 75 V CA 4.163 66.383 62.300 -0.134 0.000 1.024 75 V CB -0.379 31.349 31.823 -0.157 0.000 0.648 75 V HN -0.548 7.656 8.190 0.044 0.012 0.447 76 R N -0.939 119.577 120.500 0.026 0.000 2.096 76 R HA -0.348 4.015 4.340 0.039 0.000 0.235 76 R C 1.807 178.106 176.300 -0.002 0.000 1.127 76 R CA 2.662 58.792 56.100 0.050 0.000 0.968 76 R CB -0.755 29.625 30.300 0.134 0.000 0.861 76 R HN -0.591 7.741 8.270 0.104 0.000 0.440 77 E N -0.735 119.452 120.200 -0.021 0.000 2.085 77 E HA -0.399 3.941 4.350 -0.017 0.000 0.194 77 E C 2.166 178.726 176.600 -0.067 0.000 0.994 77 E CA 3.359 59.736 56.400 -0.038 0.000 0.801 77 E CB -0.254 29.414 29.700 -0.053 0.000 0.743 77 E HN -0.564 7.785 8.360 -0.018 0.000 0.453 78 L N -1.209 119.944 121.223 -0.116 0.000 2.044 78 L HA -0.210 4.021 4.340 -0.181 0.000 0.205 78 L C 3.079 179.885 176.870 -0.107 0.000 1.075 78 L CA 2.798 57.539 54.840 -0.165 0.000 0.747 78 L CB 0.033 41.949 42.059 -0.238 0.000 0.903 78 L HN -0.496 7.658 8.230 -0.128 0.000 0.435 79 I N -0.358 120.154 120.570 -0.097 0.000 2.194 79 I HA -0.465 3.679 4.170 -0.043 0.000 0.246 79 I C 1.623 177.790 176.117 0.084 0.000 1.093 79 I CA 3.632 64.910 61.300 -0.037 0.000 1.355 79 I CB -0.107 37.844 38.000 -0.082 0.000 1.046 79 I HN -0.202 7.929 8.210 -0.131 0.000 0.413 80 D N -4.031 116.408 120.400 0.064 0.000 2.340 80 D HA 0.102 4.774 4.640 0.052 0.000 0.220 80 D C -0.787 175.604 176.300 0.150 0.000 1.039 80 D CA 0.220 54.264 54.000 0.075 0.000 0.866 80 D CB -0.280 40.544 40.800 0.040 0.000 0.913 80 D HN -0.544 7.831 8.370 0.028 0.012 0.523 81 H N -5.008 114.030 119.070 -0.055 0.000 2.791 81 H HA -0.326 4.191 4.556 -0.065 0.000 0.302 81 H C 0.132 175.432 175.328 -0.046 0.000 1.198 81 H CA 1.144 57.160 56.048 -0.053 0.000 1.145 81 H CB -2.647 27.091 29.762 -0.041 0.000 1.385 81 H HN -0.217 8.002 8.280 0.205 0.184 0.409 82 K N -3.741 116.681 120.400 0.036 0.000 2.400 82 K HA -0.043 4.286 4.320 0.015 0.000 0.194 82 K C -1.398 175.179 176.600 -0.038 0.000 1.033 82 K CA 0.895 57.183 56.287 0.002 0.000 1.021 82 K CB 0.816 33.316 32.500 -0.001 0.000 0.808 82 K HN -0.260 7.978 8.250 0.025 0.026 0.505 83 A N -3.840 118.931 122.820 -0.081 0.000 2.539 83 A HA 0.194 4.452 4.320 -0.105 0.000 0.296 83 A C -2.146 175.327 177.584 -0.185 0.000 1.073 83 A CA -0.999 50.964 52.037 -0.122 0.000 0.700 83 A CB 2.641 21.561 19.000 -0.132 0.000 1.296 83 A HN -0.871 7.191 8.150 -0.091 0.033 0.405 84 D N -0.174 120.098 120.400 -0.213 0.000 2.216 84 D HA 0.077 4.546 4.640 -0.283 0.000 0.208 84 D C -0.279 175.828 176.300 -0.322 0.000 0.960 84 D CA 3.105 56.934 54.000 -0.286 0.000 0.861 84 D CB 2.074 42.675 40.800 -0.332 0.000 0.985 84 D HN -0.013 8.240 8.370 -0.196 0.000 0.493 85 L N -3.674 117.367 121.223 -0.305 0.000 2.393 85 L HA 0.683 5.044 4.340 -0.266 -0.181 0.260 85 L C -2.616 174.123 176.870 -0.219 0.000 1.002 85 L CA -1.581 53.090 54.840 -0.282 0.000 0.818 85 L CB 5.174 47.030 42.059 -0.339 0.000 1.369 85 L HN -0.695 7.368 8.230 -0.278 0.000 0.412 86 A N 0.735 123.444 122.820 -0.184 0.000 2.291 86 A HA 0.838 5.277 4.320 -0.160 -0.215 0.311 86 A C -1.465 176.061 177.584 -0.096 0.000 1.224 86 A CA -1.739 50.211 52.037 -0.146 0.000 0.821 86 A CB 2.002 20.922 19.000 -0.133 0.000 1.172 86 A HN 0.619 8.557 8.150 -0.181 0.104 0.494 87 V N 4.167 124.007 119.914 -0.123 0.000 2.304 87 V HA 0.212 4.317 4.120 -0.026 0.000 0.278 87 V C -1.989 174.043 176.094 -0.103 0.000 1.018 87 V CA -0.681 61.558 62.300 -0.101 0.000 0.814 87 V CB 0.482 32.198 31.823 -0.178 0.000 1.021 87 V HN -0.223 7.871 8.190 -0.159 0.000 0.440 88 A N 5.973 128.786 122.820 -0.011 0.000 2.566 88 A HA 0.364 4.624 4.320 -0.100 0.000 0.290 88 A C -2.894 174.640 177.584 -0.083 0.000 1.071 88 A CA -1.374 50.620 52.037 -0.071 0.000 0.658 88 A CB 1.757 20.687 19.000 -0.117 0.000 1.285 88 A HN 0.179 8.385 8.150 0.095 0.000 0.427 89 P HA -0.000 3.533 4.420 -1.478 0.000 0.237 89 P C -2.302 174.516 177.300 -0.804 0.000 1.788 89 P CA -0.097 62.269 63.100 -1.223 0.000 1.061 89 P CB -1.893 28.728 31.700 -1.798 0.000 1.967 90 L N 3.600 124.647 121.223 -0.294 0.000 2.262 90 L HA 0.143 4.568 4.340 0.142 0.000 0.288 90 L C -2.009 174.962 176.870 0.167 0.000 1.035 90 L CA -1.540 53.353 54.840 0.087 0.000 0.820 90 L CB 2.059 44.254 42.059 0.227 0.000 1.204 90 L HN -0.453 7.624 8.230 -0.197 0.035 0.424 91 A N 6.961 129.877 122.820 0.160 0.000 2.440 91 A HA 0.182 4.730 4.320 0.102 -0.167 0.251 91 A C -0.111 177.332 177.584 -0.235 0.000 1.089 91 A CA -0.784 51.282 52.037 0.049 0.000 0.779 91 A CB 0.476 19.483 19.000 0.011 0.000 1.022 91 A HN 0.413 8.639 8.150 0.127 0.000 0.492 92 I N 4.548 124.783 120.570 -0.559 0.000 2.379 92 I HA -0.024 2.919 4.170 -2.045 0.000 0.290 92 I C -0.694 175.150 176.117 -0.456 0.000 1.063 92 I CA 0.783 61.447 61.300 -1.061 0.000 1.351 92 I CB -0.467 37.029 38.000 -0.841 0.000 1.410 92 I HN 0.040 7.990 8.210 -0.434 0.000 0.505 93 T N 4.572 118.964 114.554 -0.270 0.000 2.906 93 T HA 0.341 4.669 4.350 -0.036 0.000 0.295 93 T C 0.363 175.109 174.700 0.077 0.000 1.075 93 T CA -2.857 59.227 62.100 -0.027 0.000 1.005 93 T CB 2.774 71.680 68.868 0.064 0.000 1.136 93 T HN -0.281 7.792 8.240 -0.278 0.000 0.498 94 Y N 3.987 124.294 120.300 0.013 0.000 2.081 94 Y HA -0.407 4.160 4.550 0.028 0.000 0.280 94 Y C 0.798 176.753 175.900 0.092 0.000 1.163 94 Y CA 3.229 61.353 58.100 0.040 0.000 1.135 94 Y CB -0.714 37.763 38.460 0.028 0.000 0.970 94 Y HN 0.400 8.829 8.280 0.247 0.000 0.498 95 V N -6.015 113.909 119.914 0.016 0.000 2.515 95 V HA -0.383 3.574 4.120 -0.271 0.000 0.250 95 V C 1.090 177.239 176.094 0.092 0.000 1.058 95 V CA 2.606 64.906 62.300 -0.000 0.000 1.064 95 V CB -0.486 31.488 31.823 0.251 0.000 0.675 95 V HN -0.416 7.894 8.190 0.199 0.000 0.461 96 R N -0.969 119.596 120.500 0.108 0.000 2.090 96 R HA -0.241 3.874 4.340 -0.375 0.000 0.228 96 R C 2.094 178.380 176.300 -0.023 0.000 1.110 96 R CA 3.231 59.306 56.100 -0.041 0.000 0.973 96 R CB 0.041 30.462 30.300 0.201 0.000 0.869 96 R HN -0.851 7.513 8.270 0.157 0.000 0.440 97 E N -0.916 119.343 120.200 0.098 0.000 2.338 97 E HA -0.172 4.431 4.350 0.186 -0.141 0.197 97 E C 1.272 177.838 176.600 -0.058 0.000 1.007 97 E CA 1.751 58.211 56.400 0.100 0.000 0.849 97 E CB -0.396 29.378 29.700 0.124 0.000 0.774 97 E HN -0.297 8.121 8.360 0.095 0.000 0.506 98 K N -3.002 117.304 120.400 -0.156 0.000 2.288 98 K HA -0.199 4.043 4.320 -0.130 0.000 0.201 98 K C 1.345 177.866 176.600 -0.133 0.000 1.048 98 K CA 2.348 58.541 56.287 -0.158 0.000 0.956 98 K CB 0.416 32.790 32.500 -0.209 0.000 0.746 98 K HN -0.679 7.428 8.250 -0.193 0.026 0.461 99 V N -8.553 111.235 119.914 -0.211 0.000 3.612 99 V HA 0.209 4.223 4.120 -0.177 0.000 0.268 99 V C -1.050 174.865 176.094 -0.298 0.000 1.365 99 V CA -0.051 62.087 62.300 -0.269 0.000 1.044 99 V CB 2.354 33.903 31.823 -0.457 0.000 0.820 99 V HN -0.509 7.390 8.190 -0.250 0.141 0.444 100 I N -5.414 114.963 120.570 -0.321 0.000 3.239 100 I HA 0.324 4.330 4.170 -0.273 0.000 0.314 100 I C -2.459 173.491 176.117 -0.278 0.000 1.126 100 I CA -2.271 58.827 61.300 -0.337 0.000 0.973 100 I CB 3.139 40.843 38.000 -0.493 0.000 1.252 100 I HN -0.429 7.593 8.210 -0.312 0.000 0.463 101 D N -0.490 119.742 120.400 -0.280 0.000 2.181 101 D HA 0.660 5.427 4.640 -0.065 -0.166 0.248 101 D C -0.838 175.298 176.300 -0.273 0.000 1.020 101 D CA -1.513 52.393 54.000 -0.157 0.000 0.891 101 D CB 3.541 44.292 40.800 -0.082 0.000 1.187 101 D HN -0.134 8.059 8.370 -0.295 0.000 0.443 102 F N 0.052 119.981 119.950 -0.034 0.000 2.546 102 F HA 0.627 5.338 4.527 -0.009 -0.189 0.320 102 F C 0.162 175.970 175.800 0.013 0.000 1.076 102 F CA -1.456 56.537 58.000 -0.011 0.000 0.928 102 F CB 4.444 43.436 39.000 -0.013 0.000 1.189 102 F HN -0.343 8.318 8.300 0.266 -0.201 0.465 103 S N 2.177 118.022 115.700 0.242 0.000 2.580 103 S HA 0.117 4.673 4.470 0.144 0.000 0.266 103 S C 0.702 175.400 174.600 0.163 0.000 1.354 103 S CA -0.329 57.981 58.200 0.184 0.000 1.008 103 S CB 0.887 64.205 63.200 0.196 0.000 0.898 103 S HN 0.365 8.817 8.310 0.237 0.000 0.555 104 K N 0.872 121.340 120.400 0.114 0.000 2.286 104 K HA -0.028 4.315 4.320 0.038 0.000 0.256 104 K C -1.352 175.291 176.600 0.072 0.000 0.999 104 K CA -0.183 56.146 56.287 0.069 0.000 0.908 104 K CB -1.010 31.524 32.500 0.057 0.000 0.981 104 K HN -0.136 8.180 8.250 0.109 0.000 0.500 105 P HA 0.121 4.659 4.420 -0.155 -0.211 0.275 105 P C -0.865 176.457 177.300 0.037 0.000 1.228 105 P CA -0.422 62.627 63.100 -0.085 0.000 0.786 105 P CB 0.493 32.099 31.700 -0.157 0.000 0.927 106 F N -3.700 116.320 119.950 0.116 0.000 2.749 106 F HA 0.249 4.853 4.527 0.130 0.000 0.300 106 F C -1.417 174.474 175.800 0.151 0.000 1.103 106 F CA -1.438 56.656 58.000 0.157 0.000 1.342 106 F CB 0.878 40.016 39.000 0.230 0.000 1.098 106 F HN -0.130 7.904 8.300 -0.444 0.000 0.586 107 M N -1.914 117.606 119.600 -0.132 0.000 2.413 107 M HA 0.308 4.767 4.480 -0.036 0.000 0.287 107 M C -2.547 173.559 176.300 -0.324 0.000 1.186 107 M CA 0.068 55.282 55.300 -0.142 0.000 0.927 107 M CB 3.895 36.448 32.600 -0.078 0.000 1.715 107 M HN -0.787 7.283 8.290 -0.366 0.000 0.478 108 T N 5.313 119.706 114.554 -0.269 0.000 2.885 108 T HA 0.832 5.107 4.350 -0.369 -0.147 0.285 108 T C -1.338 173.173 174.700 -0.315 0.000 1.019 108 T CA -2.084 59.836 62.100 -0.301 0.000 1.010 108 T CB 0.936 69.688 68.868 -0.194 0.000 1.022 108 T HN -0.023 8.096 8.240 -0.203 0.000 0.466 109 L N -0.063 120.954 121.223 -0.343 0.000 2.963 109 L HA 0.706 4.907 4.340 -0.231 0.000 0.273 109 L C -2.827 173.880 176.870 -0.272 0.000 1.078 109 L CA -0.886 53.771 54.840 -0.305 0.000 0.970 109 L CB 2.023 43.835 42.059 -0.412 0.000 1.564 109 L HN 0.329 8.353 8.230 -0.342 0.000 0.381 110 G N -4.216 104.446 108.800 -0.231 0.000 2.660 110 G HA2 0.634 4.492 3.960 -0.290 0.000 0.290 110 G HA3 0.634 4.612 3.960 -0.236 -0.160 0.290 110 G C -2.272 172.492 174.900 -0.228 0.000 1.432 110 G CA -0.385 44.565 45.100 -0.250 0.000 0.807 110 G HN -0.430 7.744 8.290 -0.193 0.000 0.485 111 I N -0.511 119.878 120.570 -0.302 0.000 2.648 111 I HA -0.105 4.069 4.170 -0.194 -0.121 0.284 111 I C -1.283 174.723 176.117 -0.185 0.000 1.153 111 I CA 2.011 63.157 61.300 -0.258 0.000 1.426 111 I CB 0.077 37.846 38.000 -0.384 0.000 1.381 111 I HN 0.129 8.437 8.210 -0.393 -0.334 0.571 112 S N 4.011 119.646 115.700 -0.108 0.000 2.880 112 S HA 0.558 4.984 4.470 -0.073 0.000 0.308 112 S C -1.927 172.648 174.600 -0.042 0.000 1.195 112 S CA -2.482 55.680 58.200 -0.063 0.000 0.866 112 S CB 2.880 66.059 63.200 -0.036 0.000 1.254 112 S HN 0.508 8.761 8.310 -0.095 0.000 0.571 113 I N -0.165 120.399 120.570 -0.011 0.000 2.465 113 I HA 0.393 4.712 4.170 -0.024 -0.164 0.291 113 I C -1.818 174.345 176.117 0.078 0.000 1.014 113 I CA -0.885 60.415 61.300 -0.000 0.000 1.093 113 I CB 3.301 41.278 38.000 -0.038 0.000 1.267 113 I HN -0.177 8.033 8.210 -0.000 0.000 0.431 114 L N 7.775 129.084 121.223 0.142 0.000 2.282 114 L HA 0.656 5.268 4.340 0.197 -0.154 0.288 114 L C -2.474 174.582 176.870 0.310 0.000 1.033 114 L CA -1.363 53.614 54.840 0.229 0.000 0.807 114 L CB 2.474 44.714 42.059 0.302 0.000 1.209 114 L HN 0.569 8.881 8.230 0.138 0.000 0.423 115 Y N 6.783 127.144 120.300 0.102 0.000 2.705 115 Y HA 0.385 5.003 4.550 0.113 0.000 0.332 115 Y C -2.022 173.926 175.900 0.080 0.000 1.221 115 Y CA -2.019 56.135 58.100 0.091 0.000 1.059 115 Y CB 3.871 42.364 38.460 0.056 0.000 1.298 115 Y HN 0.463 8.905 8.280 0.272 0.000 0.459 116 R N 1.186 121.393 120.500 -0.488 0.000 2.594 116 R HA 0.078 4.446 4.340 -0.175 -0.133 0.272 116 R C 0.159 176.295 176.300 -0.273 0.000 1.074 116 R CA 0.146 56.022 56.100 -0.373 0.000 1.105 116 R CB 0.757 30.792 30.300 -0.443 0.000 1.008 116 R HN 0.426 8.055 8.270 -1.069 0.000 0.472 117 K N 2.189 122.520 120.400 -0.115 0.000 2.380 117 K HA -0.239 4.071 4.320 -0.016 0.000 0.267 117 K C 0.342 176.905 176.600 -0.063 0.000 0.990 117 K CA 1.055 57.311 56.287 -0.051 0.000 0.946 117 K CB 0.194 32.681 32.500 -0.023 0.000 0.937 117 K HN -0.075 8.122 8.250 -0.089 0.000 0.491 118 G N 1.571 110.364 108.800 -0.012 0.000 2.851 118 G HA2 -0.229 3.738 3.960 0.011 0.000 0.272 118 G HA3 -0.229 3.723 3.960 -0.013 0.000 0.272 118 G C -1.195 173.719 174.900 0.023 0.000 1.100 118 G CA 0.136 45.236 45.100 -0.000 0.000 1.197 118 G HN 0.575 8.869 8.290 0.008 0.000 0.561 119 T N 1.194 115.785 114.554 0.061 0.000 2.957 119 T HA 0.263 4.674 4.350 0.102 0.000 0.336 119 T C -2.088 172.666 174.700 0.090 0.000 1.462 119 T CA -2.879 59.288 62.100 0.113 0.000 1.073 119 T CB 1.115 70.138 68.868 0.257 0.000 1.319 119 T HN -0.647 7.628 8.240 0.058 0.000 0.485 120 P HA 0.249 4.694 4.420 0.042 0.000 0.255 120 P C -0.663 176.661 177.300 0.039 0.000 1.248 120 P CA -0.077 63.051 63.100 0.047 0.000 0.807 120 P CB 0.582 32.303 31.700 0.035 0.000 1.150 121 I N 1.606 122.208 120.570 0.053 0.000 2.598 121 I HA -0.365 3.794 4.170 -0.019 0.000 0.284 121 I C -0.677 175.446 176.117 0.011 0.000 1.140 121 I CA 0.058 61.360 61.300 0.004 0.000 1.420 121 I CB -1.262 36.705 38.000 -0.055 0.000 1.387 121 I HN -0.500 7.720 8.210 0.090 0.044 0.553 122 D N 4.812 125.206 120.400 -0.011 0.000 2.514 122 D HA 0.137 4.785 4.640 0.014 0.000 0.225 122 D C -1.344 174.950 176.300 -0.011 0.000 1.159 122 D CA -0.116 53.884 54.000 0.000 0.000 0.823 122 D CB 2.584 43.386 40.800 0.003 0.000 1.097 122 D HN -0.028 8.575 8.370 -0.026 -0.249 0.519 123 S N -5.197 110.483 115.700 -0.032 0.000 2.615 123 S HA 0.214 4.676 4.470 -0.013 0.000 0.268 123 S C -0.191 174.377 174.600 -0.054 0.000 1.146 123 S CA -1.900 56.285 58.200 -0.025 0.000 0.818 123 S CB 2.512 65.706 63.200 -0.011 0.000 1.111 123 S HN -0.780 7.500 8.310 -0.050 0.000 0.465 124 A N 1.369 124.184 122.820 -0.009 0.000 1.908 124 A HA -0.369 3.889 4.320 -0.105 0.000 0.218 124 A C 1.240 178.793 177.584 -0.052 0.000 1.181 124 A CA 3.134 55.166 52.037 -0.008 0.000 0.627 124 A CB -0.425 18.709 19.000 0.223 0.000 0.818 124 A HN 0.687 8.856 8.150 0.032 0.000 0.445 125 D N -1.591 118.793 120.400 -0.027 0.000 2.126 125 D HA -0.374 4.229 4.640 -0.061 0.000 0.190 125 D C 1.796 178.047 176.300 -0.080 0.000 1.001 125 D CA 3.292 57.258 54.000 -0.056 0.000 0.841 125 D CB -0.701 40.071 40.800 -0.047 0.000 0.949 125 D HN -0.045 8.324 8.370 -0.002 0.000 0.446 126 D N -0.918 119.434 120.400 -0.080 0.000 2.123 126 D HA -0.222 4.376 4.640 -0.070 0.000 0.196 126 D C 2.649 178.867 176.300 -0.137 0.000 0.992 126 D CA 2.671 56.619 54.000 -0.088 0.000 0.833 126 D CB -0.288 40.468 40.800 -0.072 0.000 0.954 126 D HN -0.638 7.691 8.370 -0.069 0.000 0.455 127 L N -1.419 119.675 121.223 -0.215 0.000 2.046 127 L HA -0.254 3.921 4.340 -0.275 0.000 0.208 127 L C 2.162 178.840 176.870 -0.320 0.000 1.077 127 L CA 2.682 57.319 54.840 -0.338 0.000 0.747 127 L CB -0.088 41.606 42.059 -0.609 0.000 0.896 127 L HN -0.688 7.413 8.230 -0.214 0.000 0.432 128 A N -1.152 121.503 122.820 -0.275 0.000 1.972 128 A HA -0.238 3.990 4.320 -0.154 0.000 0.219 128 A C 1.508 179.049 177.584 -0.071 0.000 1.169 128 A CA 2.488 54.436 52.037 -0.148 0.000 0.635 128 A CB -0.261 18.700 19.000 -0.066 0.000 0.810 128 A HN 0.008 8.011 8.150 -0.243 0.000 0.446 129 K N -3.653 116.702 120.400 -0.075 0.000 2.505 129 K HA -0.132 4.172 4.320 -0.027 0.000 0.192 129 K C -0.309 176.267 176.600 -0.040 0.000 1.025 129 K CA 0.251 56.512 56.287 -0.043 0.000 1.086 129 K CB -0.011 32.465 32.500 -0.039 0.000 0.840 129 K HN -0.508 7.662 8.250 -0.092 0.024 0.514 130 Q N -2.781 116.982 119.800 -0.061 0.000 2.553 130 Q HA 0.273 4.596 4.340 -0.029 0.000 0.293 130 Q C -1.524 174.420 176.000 -0.093 0.000 1.038 130 Q CA -1.027 54.745 55.803 -0.051 0.000 0.777 130 Q CB 1.767 30.479 28.738 -0.043 0.000 1.487 130 Q HN -0.531 7.621 8.270 -0.082 0.069 0.426 131 T N -8.839 105.683 114.554 -0.053 0.000 3.087 131 T HA 0.236 4.434 4.350 -0.254 0.000 0.283 131 T C 0.747 175.469 174.700 0.037 0.000 0.956 131 T CA -0.857 61.211 62.100 -0.053 0.000 0.894 131 T CB 1.269 70.203 68.868 0.110 0.000 1.160 131 T HN -0.085 8.147 8.240 -0.015 0.000 0.532 132 K N 1.314 121.733 120.400 0.032 0.000 2.057 132 K HA -0.198 4.166 4.320 0.074 0.000 0.207 132 K C 0.408 177.057 176.600 0.081 0.000 1.049 132 K CA 2.294 58.617 56.287 0.061 0.000 0.931 132 K CB 0.162 32.693 32.500 0.052 0.000 0.714 132 K HN -0.387 7.929 8.250 0.016 -0.056 0.440 133 I N 0.154 120.756 120.570 0.054 0.000 2.337 133 I HA -0.126 4.263 4.170 0.134 -0.138 0.291 133 I C -0.641 175.514 176.117 0.063 0.000 1.046 133 I CA -0.153 61.192 61.300 0.076 0.000 1.324 133 I CB 0.087 38.083 38.000 -0.006 0.000 1.409 133 I HN -0.331 8.270 8.210 0.022 -0.377 0.494 134 E N 7.258 127.548 120.200 0.151 0.000 2.371 134 E HA 0.007 4.394 4.350 0.062 0.000 0.257 134 E C -1.511 175.094 176.600 0.008 0.000 1.134 134 E CA -0.352 56.145 56.400 0.162 0.000 0.919 134 E CB 1.919 31.836 29.700 0.362 0.000 1.025 134 E HN -0.165 8.321 8.360 0.210 0.000 0.438 135 Y N -5.667 114.617 120.300 -0.028 0.000 2.609 135 Y HA 1.041 5.269 4.550 -0.890 -0.211 0.336 135 Y C -1.561 174.283 175.900 -0.094 0.000 1.129 135 Y CA -2.146 55.722 58.100 -0.385 0.000 1.040 135 Y CB 3.539 41.790 38.460 -0.349 0.000 1.310 135 Y HN -0.028 8.100 8.280 -0.254 0.000 0.460 136 G N -2.849 105.976 108.800 0.041 0.000 2.578 136 G HA2 0.487 4.556 3.960 0.182 0.000 0.302 136 G HA3 0.487 4.918 3.960 0.395 -0.234 0.302 136 G C -3.357 171.664 174.900 0.203 0.000 1.243 136 G CA 0.019 45.266 45.100 0.245 0.000 0.843 136 G HN -0.397 7.829 8.290 -0.107 0.000 0.486 137 A N -3.346 119.664 122.820 0.316 0.000 2.564 137 A HA 0.640 4.743 4.320 -0.362 0.000 0.291 137 A C -2.050 175.755 177.584 0.368 0.000 1.102 137 A CA -0.850 51.239 52.037 0.086 0.000 0.660 137 A CB 2.945 21.969 19.000 0.041 0.000 1.283 137 A HN -0.513 7.885 8.150 0.414 0.000 0.430 138 V N -0.065 120.024 119.914 0.292 0.000 2.529 138 V HA -0.139 4.379 4.120 0.376 -0.173 0.292 138 V C 0.027 176.263 176.094 0.236 0.000 1.028 138 V CA 0.621 63.108 62.300 0.312 0.000 1.074 138 V CB 0.154 32.127 31.823 0.250 0.000 0.958 138 V HN 0.563 8.838 8.190 0.142 0.000 0.481 139 E N 8.844 129.183 120.200 0.231 0.000 2.376 139 E HA -0.398 4.080 4.350 0.214 0.000 0.266 139 E C -0.343 176.370 176.600 0.187 0.000 1.009 139 E CA 1.485 58.005 56.400 0.201 0.000 0.902 139 E CB 0.520 30.322 29.700 0.169 0.000 0.972 139 E HN 0.122 8.622 8.360 0.234 0.000 0.439 140 D N 1.910 122.409 120.400 0.165 0.000 2.907 140 D HA -0.301 4.408 4.640 0.115 0.000 0.226 140 D C -1.061 175.352 176.300 0.187 0.000 1.141 140 D CA 1.827 55.916 54.000 0.149 0.000 0.779 140 D CB -1.017 39.866 40.800 0.139 0.000 1.095 140 D HN -0.054 8.414 8.370 0.164 0.000 0.430 141 G N -4.122 104.770 108.800 0.154 0.000 2.820 141 G HA2 0.352 4.405 3.960 0.155 0.000 0.291 141 G HA3 0.352 4.318 3.960 0.010 0.000 0.291 141 G C -1.106 173.837 174.900 0.071 0.000 1.323 141 G CA -1.476 43.681 45.100 0.097 0.000 1.055 141 G HN -0.951 7.390 8.290 0.143 0.035 0.520 142 A N -1.424 121.408 122.820 0.020 0.000 1.930 142 A HA -0.264 4.106 4.320 0.082 0.000 0.217 142 A C 2.179 179.793 177.584 0.050 0.000 1.175 142 A CA 3.292 55.354 52.037 0.042 0.000 0.627 142 A CB -0.570 18.433 19.000 0.005 0.000 0.815 142 A HN 0.579 8.699 8.150 -0.049 0.000 0.443 143 T N 2.017 116.590 114.554 0.031 0.000 2.737 143 T HA -0.420 3.979 4.350 0.081 0.000 0.265 143 T C 1.573 176.444 174.700 0.285 0.000 1.038 143 T CA 4.934 67.103 62.100 0.114 0.000 1.144 143 T CB -0.291 68.603 68.868 0.042 0.000 0.866 143 T HN -0.157 8.075 8.240 -0.013 0.000 0.434 144 M N 2.005 121.724 119.600 0.198 0.000 2.108 144 M HA -0.350 4.315 4.480 0.307 0.000 0.261 144 M C 1.376 177.671 176.300 -0.008 0.000 1.066 144 M CA 3.265 58.679 55.300 0.190 0.000 1.107 144 M CB -0.805 31.901 32.600 0.177 0.000 1.356 144 M HN 0.062 8.437 8.290 0.142 0.000 0.406 145 T N 1.757 116.307 114.554 -0.007 0.000 2.821 145 T HA -0.389 3.826 4.350 -0.226 0.000 0.267 145 T C 1.670 176.305 174.700 -0.109 0.000 1.046 145 T CA 4.454 66.493 62.100 -0.103 0.000 1.139 145 T CB -0.295 68.569 68.868 -0.007 0.000 0.871 145 T HN -0.561 7.708 8.240 0.048 0.000 0.454 146 F N 3.313 123.172 119.950 -0.153 0.000 2.095 146 F HA -0.491 3.907 4.527 -0.215 0.000 0.298 146 F C 0.972 176.575 175.800 -0.329 0.000 1.104 146 F CA 3.966 61.815 58.000 -0.251 0.000 1.232 146 F CB 0.085 38.879 39.000 -0.343 0.000 0.987 146 F HN -0.323 8.084 8.300 0.177 0.000 0.475 147 F N -2.901 116.973 119.950 -0.127 0.000 2.134 147 F HA -0.457 3.950 4.527 -0.200 0.000 0.299 147 F C 2.680 178.187 175.800 -0.487 0.000 1.097 147 F CA 3.850 61.752 58.000 -0.163 0.000 1.264 147 F CB -0.197 38.937 39.000 0.222 0.000 1.001 147 F HN -0.537 7.933 8.300 0.283 0.000 0.479 148 K N -1.216 118.675 120.400 -0.850 0.000 2.147 148 K HA -0.337 2.489 4.320 -2.490 0.000 0.205 148 K C 1.487 177.712 176.600 -0.626 0.000 1.049 148 K CA 2.613 58.029 56.287 -1.452 0.000 0.936 148 K CB -0.077 31.593 32.500 -1.383 0.000 0.722 148 K HN -0.144 7.659 8.250 -0.746 0.000 0.446 149 R N -4.409 115.825 120.500 -0.443 0.000 2.280 149 R HA -0.003 4.199 4.340 -0.229 0.000 0.195 149 R C -0.127 175.999 176.300 -0.290 0.000 0.935 149 R CA 0.180 56.105 56.100 -0.292 0.000 1.033 149 R CB 0.433 30.602 30.300 -0.219 0.000 0.964 149 R HN -0.581 7.397 8.270 -0.458 0.017 0.489 150 S N -0.152 115.310 115.700 -0.398 0.000 2.549 150 S HA -0.079 4.148 4.470 -0.406 0.000 0.279 150 S C 0.075 174.584 174.600 -0.153 0.000 1.321 150 S CA -0.029 57.943 58.200 -0.379 0.000 1.054 150 S CB 0.519 63.387 63.200 -0.553 0.000 0.899 150 S HN -0.667 7.265 8.310 -0.452 0.107 0.497 151 K N 4.499 124.826 120.400 -0.122 0.000 2.358 151 K HA 0.108 4.405 4.320 -0.038 0.000 0.197 151 K C -0.255 176.313 176.600 -0.053 0.000 1.025 151 K CA -0.637 55.613 56.287 -0.062 0.000 1.104 151 K CB 0.074 32.539 32.500 -0.059 0.000 0.855 151 K HN 0.140 8.303 8.250 -0.145 0.000 0.531 152 I N 1.267 121.799 120.570 -0.063 0.000 2.556 152 I HA -0.069 4.043 4.170 -0.096 0.000 0.284 152 I C 1.088 177.127 176.117 -0.129 0.000 1.114 152 I CA -1.228 60.011 61.300 -0.103 0.000 1.418 152 I CB -0.108 37.819 38.000 -0.122 0.000 1.394 152 I HN -0.751 7.372 8.210 -0.066 0.047 0.552 153 S N 8.228 123.849 115.700 -0.132 0.000 2.359 153 S HA -0.363 4.229 4.470 -0.039 -0.146 0.224 153 S C 2.082 176.625 174.600 -0.095 0.000 1.035 153 S CA 3.933 62.082 58.200 -0.085 0.000 1.018 153 S CB -0.189 62.966 63.200 -0.075 0.000 0.876 153 S HN 0.564 8.794 8.310 -0.134 0.000 0.448 154 T N 2.078 116.493 114.554 -0.232 0.000 2.684 154 T HA -0.297 3.999 4.350 -0.091 0.000 0.267 154 T C 1.514 176.225 174.700 0.019 0.000 1.036 154 T CA 4.640 66.622 62.100 -0.197 0.000 1.148 154 T CB -0.142 68.499 68.868 -0.378 0.000 0.863 154 T HN 0.011 8.058 8.240 -0.321 0.000 0.436 155 Y N -0.889 119.499 120.300 0.147 0.000 2.337 155 Y HA -0.143 4.704 4.550 0.494 0.000 0.293 155 Y C 1.681 177.775 175.900 0.322 0.000 1.123 155 Y CA -0.057 58.214 58.100 0.285 0.000 1.201 155 Y CB -1.106 37.364 38.460 0.016 0.000 1.011 155 Y HN -0.639 7.388 8.280 -0.421 0.000 0.545 156 D N -0.935 119.633 120.400 0.280 0.000 2.178 156 D HA -0.292 4.560 4.640 0.354 0.000 0.202 156 D C 2.045 178.515 176.300 0.283 0.000 0.974 156 D CA 2.675 56.837 54.000 0.270 0.000 0.841 156 D CB -1.030 39.857 40.800 0.144 0.000 0.953 156 D HN 0.107 8.575 8.370 0.163 0.000 0.478 157 K N 0.554 121.084 120.400 0.218 0.000 2.057 157 K HA -0.204 4.216 4.320 0.167 0.000 0.206 157 K C 2.201 178.967 176.600 0.276 0.000 1.050 157 K CA 2.075 58.477 56.287 0.192 0.000 0.935 157 K CB -0.373 32.198 32.500 0.119 0.000 0.715 157 K HN -0.615 7.741 8.250 0.176 0.000 0.439 158 M N -0.218 119.591 119.600 0.349 0.000 2.117 158 M HA -0.302 4.477 4.480 0.498 0.000 0.262 158 M C 2.162 178.734 176.300 0.453 0.000 1.065 158 M CA 3.869 59.431 55.300 0.437 0.000 1.114 158 M CB 0.203 32.995 32.600 0.320 0.000 1.361 158 M HN -0.510 7.992 8.290 0.353 0.000 0.408 159 W N -0.330 121.157 121.300 0.310 0.000 2.358 159 W HA -0.487 4.294 4.660 0.201 0.000 0.303 159 W C 1.056 177.678 176.519 0.170 0.000 1.208 159 W CA 2.987 60.473 57.345 0.235 0.000 1.274 159 W CB 0.464 30.069 29.460 0.241 0.000 1.138 159 W HN -0.013 8.572 8.180 0.675 0.000 0.515 160 A N -0.510 122.322 122.820 0.020 0.000 1.908 160 A HA -0.335 3.827 4.320 -0.262 0.000 0.218 160 A C 2.004 179.488 177.584 -0.166 0.000 1.181 160 A CA 2.887 54.851 52.037 -0.121 0.000 0.627 160 A CB -0.999 18.027 19.000 0.043 0.000 0.818 160 A HN -0.269 8.008 8.150 0.212 0.000 0.445 161 F N -0.560 119.290 119.950 -0.167 0.000 2.113 161 F HA -0.366 4.043 4.527 -0.197 0.000 0.297 161 F C 1.456 177.047 175.800 -0.348 0.000 1.103 161 F CA 3.643 61.510 58.000 -0.221 0.000 1.248 161 F CB 0.422 39.318 39.000 -0.172 0.000 0.999 161 F HN -0.736 7.708 8.300 0.240 0.000 0.475 162 M N -1.130 118.346 119.600 -0.205 0.000 2.117 162 M HA -0.558 3.752 4.480 -0.282 0.000 0.262 162 M C 1.941 177.882 176.300 -0.598 0.000 1.065 162 M CA 4.051 59.148 55.300 -0.339 0.000 1.114 162 M CB 0.344 32.860 32.600 -0.141 0.000 1.361 162 M HN -0.105 8.174 8.290 -0.017 0.000 0.408 163 S N -2.151 112.959 115.700 -0.982 0.000 2.356 163 S HA -0.295 3.702 4.470 -0.788 0.000 0.223 163 S C 2.834 177.146 174.600 -0.480 0.000 1.032 163 S CA 3.099 60.773 58.200 -0.878 0.000 1.005 163 S CB -0.805 61.738 63.200 -1.095 0.000 0.867 163 S HN -0.019 7.585 8.310 -1.176 0.000 0.449 164 S N 3.902 119.329 115.700 -0.456 0.000 2.365 164 S HA -0.289 4.017 4.470 -0.273 0.000 0.225 164 S C 1.491 175.874 174.600 -0.363 0.000 1.039 164 S CA 2.689 60.675 58.200 -0.357 0.000 1.033 164 S CB -0.185 62.795 63.200 -0.367 0.000 0.887 164 S HN -0.442 7.575 8.310 -0.489 0.000 0.447 165 R N -1.904 118.302 120.500 -0.489 0.000 2.515 165 R HA 0.263 4.408 4.340 -0.325 0.000 0.294 165 R C 0.467 176.610 176.300 -0.261 0.000 1.021 165 R CA -1.024 54.829 56.100 -0.412 0.000 1.081 165 R CB -0.296 29.626 30.300 -0.630 0.000 1.263 165 R HN -0.572 7.335 8.270 -0.604 0.000 0.557 166 R N -0.379 119.985 120.500 -0.227 0.000 2.127 166 R HA -0.321 3.999 4.340 -0.109 -0.046 0.238 166 R C 1.869 178.136 176.300 -0.056 0.000 1.134 166 R CA 3.232 59.257 56.100 -0.125 0.000 0.975 166 R CB -0.755 29.481 30.300 -0.106 0.000 0.865 166 R HN -0.839 7.216 8.270 -0.253 0.063 0.447 167 Q N -1.966 117.793 119.800 -0.069 0.000 2.224 167 Q HA -0.203 4.126 4.340 -0.019 0.000 0.203 167 Q C 1.119 177.097 176.000 -0.035 0.000 0.970 167 Q CA 1.925 57.704 55.803 -0.039 0.000 0.865 167 Q CB -0.989 27.722 28.738 -0.045 0.000 0.922 167 Q HN 0.351 8.549 8.270 -0.092 0.017 0.445 168 S N -2.527 113.142 115.700 -0.053 0.000 2.468 168 S HA 0.081 4.523 4.470 -0.046 0.000 0.226 168 S C 2.318 176.911 174.600 -0.011 0.000 1.051 168 S CA 1.392 59.565 58.200 -0.045 0.000 0.943 168 S CB 1.043 64.209 63.200 -0.056 0.000 0.810 168 S HN -0.394 7.848 8.310 -0.077 0.022 0.509 169 V N -3.912 116.023 119.914 0.034 0.000 3.565 169 V HA 0.198 4.469 4.120 0.251 0.000 0.260 169 V C -1.598 174.652 176.094 0.259 0.000 1.231 169 V CA 0.247 62.669 62.300 0.203 0.000 1.100 169 V CB 1.005 32.966 31.823 0.230 0.000 0.807 169 V HN -0.357 7.826 8.190 -0.012 0.000 0.454 170 L N 0.155 121.473 121.223 0.157 0.000 2.312 170 L HA 0.377 5.075 4.340 0.288 -0.185 0.281 170 L C -0.014 176.959 176.870 0.173 0.000 1.070 170 L CA -0.320 54.644 54.840 0.207 0.000 0.805 170 L CB 0.819 42.982 42.059 0.173 0.000 1.174 170 L HN -0.746 7.539 8.230 0.091 0.000 0.434 171 V N -6.359 113.692 119.914 0.228 0.000 3.126 171 V HA 0.566 4.742 4.120 0.094 0.000 0.314 171 V C -0.383 175.811 176.094 0.166 0.000 1.138 171 V CA -3.700 58.690 62.300 0.150 0.000 1.034 171 V CB 3.632 35.511 31.823 0.093 0.000 1.075 171 V HN 0.199 8.573 8.190 0.306 0.000 0.442 172 K N -0.947 119.523 120.400 0.116 0.000 2.400 172 K HA -0.008 4.400 4.320 0.146 0.000 0.194 172 K C -0.670 176.028 176.600 0.164 0.000 1.033 172 K CA 0.938 57.303 56.287 0.130 0.000 1.021 172 K CB 0.828 33.380 32.500 0.087 0.000 0.808 172 K HN 0.213 9.324 8.250 0.080 -0.813 0.505 173 S N -7.086 108.713 115.700 0.164 0.000 2.588 173 S HA 0.152 4.776 4.470 0.257 0.000 0.269 173 S C -0.752 173.964 174.600 0.194 0.000 1.157 173 S CA -1.540 56.776 58.200 0.194 0.000 0.824 173 S CB 3.293 66.571 63.200 0.131 0.000 1.126 173 S HN -0.988 7.369 8.310 0.135 0.034 0.464 174 N N 1.797 120.650 118.700 0.256 0.000 2.104 174 N HA -0.392 4.614 4.740 0.445 0.000 0.190 174 N C 1.669 177.224 175.510 0.076 0.000 1.024 174 N CA 3.504 56.725 53.050 0.285 0.000 0.853 174 N CB -0.312 38.371 38.487 0.327 0.000 1.008 174 N HN 0.665 9.209 8.380 0.273 0.000 0.424 175 E N 0.319 120.562 120.200 0.072 0.000 2.085 175 E HA -0.400 3.970 4.350 0.034 0.000 0.194 175 E C 1.345 177.913 176.600 -0.053 0.000 0.994 175 E CA 3.052 59.466 56.400 0.024 0.000 0.801 175 E CB -0.650 29.077 29.700 0.045 0.000 0.743 175 E HN 0.312 8.734 8.360 0.102 0.000 0.453 176 E N -0.927 119.232 120.200 -0.068 0.000 2.106 176 E HA -0.266 4.027 4.350 -0.097 0.000 0.192 176 E C 2.348 178.783 176.600 -0.275 0.000 0.984 176 E CA 2.381 58.709 56.400 -0.119 0.000 0.806 176 E CB -0.251 29.411 29.700 -0.063 0.000 0.750 176 E HN -0.621 7.724 8.360 -0.026 0.000 0.458 177 G N -0.634 107.860 108.800 -0.509 0.000 2.402 177 G HA2 -0.259 3.152 3.960 -0.916 0.000 0.216 177 G HA3 -0.259 2.207 3.960 -2.491 0.000 0.216 177 G C 1.257 175.771 174.900 -0.643 0.000 1.162 177 G CA 1.937 46.337 45.100 -1.167 0.000 0.777 177 G HN -0.546 7.395 8.290 -0.433 0.089 0.539 178 I N 2.226 122.590 120.570 -0.344 0.000 2.226 178 I HA -0.632 3.534 4.170 -0.007 0.000 0.245 178 I C 1.738 177.820 176.117 -0.059 0.000 1.100 178 I CA 4.085 65.338 61.300 -0.078 0.000 1.374 178 I CB -0.167 37.840 38.000 0.012 0.000 1.057 178 I HN -0.197 7.827 8.210 -0.310 0.000 0.413 179 Q N -2.462 117.282 119.800 -0.094 0.000 2.124 179 Q HA -0.350 3.967 4.340 -0.039 0.000 0.202 179 Q C 2.699 178.641 176.000 -0.097 0.000 0.977 179 Q CA 2.647 58.407 55.803 -0.072 0.000 0.850 179 Q CB -0.694 28.002 28.738 -0.070 0.000 0.901 179 Q HN -0.300 7.901 8.270 -0.115 0.000 0.429 180 R N 0.992 121.379 120.500 -0.188 0.000 2.081 180 R HA -0.218 3.983 4.340 -0.232 0.000 0.235 180 R C 2.520 178.796 176.300 -0.040 0.000 1.131 180 R CA 2.477 58.414 56.100 -0.271 0.000 0.960 180 R CB -0.556 29.307 30.300 -0.729 0.000 0.856 180 R HN -0.500 7.625 8.270 -0.242 0.000 0.436 181 V N -0.136 119.858 119.914 0.134 0.000 2.332 181 V HA -0.459 4.065 4.120 0.409 -0.159 0.248 181 V C 1.876 178.043 176.094 0.122 0.000 1.055 181 V CA 3.935 66.391 62.300 0.261 0.000 1.038 181 V CB -0.011 31.973 31.823 0.268 0.000 0.651 181 V HN -0.453 7.790 8.190 0.088 0.000 0.450 182 L N -4.787 116.469 121.223 0.054 0.000 2.418 182 L HA -0.141 4.212 4.340 0.021 0.000 0.218 182 L C 1.573 178.451 176.870 0.013 0.000 1.125 182 L CA 2.269 57.123 54.840 0.023 0.000 0.835 182 L CB -0.037 42.029 42.059 0.012 0.000 0.953 182 L HN -0.632 7.518 8.230 0.035 0.102 0.454 183 T N -6.790 107.769 114.554 0.008 0.000 3.043 183 T HA 0.094 4.445 4.350 0.002 0.000 0.272 183 T C 0.008 174.715 174.700 0.012 0.000 0.990 183 T CA -0.272 61.827 62.100 -0.001 0.000 0.897 183 T CB 0.520 69.374 68.868 -0.023 0.000 1.111 183 T HN -0.334 7.768 8.240 0.006 0.141 0.529 184 S N 1.040 116.766 115.700 0.044 0.000 2.615 184 S HA 0.129 4.638 4.470 0.065 0.000 0.269 184 S C -1.691 173.007 174.600 0.165 0.000 1.161 184 S CA -0.913 57.335 58.200 0.079 0.000 0.817 184 S CB 2.436 65.665 63.200 0.047 0.000 1.131 184 S HN -0.681 7.666 8.310 0.062 0.000 0.467 185 D N 2.435 122.950 120.400 0.191 0.000 2.517 185 D HA 0.109 4.914 4.640 0.276 0.000 0.220 185 D C -1.966 174.561 176.300 0.378 0.000 1.158 185 D CA -0.145 54.014 54.000 0.266 0.000 0.992 185 D CB -1.091 39.831 40.800 0.202 0.000 1.058 185 D HN 0.257 8.722 8.370 0.159 0.000 0.516 186 Y N 4.617 125.095 120.300 0.296 0.000 2.470 186 Y HA 0.567 5.469 4.550 0.222 -0.218 0.341 186 Y C -2.750 173.367 175.900 0.362 0.000 1.021 186 Y CA -1.075 57.182 58.100 0.262 0.000 1.025 186 Y CB 3.819 42.389 38.460 0.184 0.000 1.266 186 Y HN -0.690 7.910 8.280 0.533 0.000 0.448 187 A N 6.353 129.071 122.820 -0.171 0.000 2.330 187 A HA 0.577 5.146 4.320 0.201 -0.129 0.327 187 A C -2.682 174.752 177.584 -0.250 0.000 1.155 187 A CA -2.409 49.561 52.037 -0.112 0.000 0.803 187 A CB 2.999 21.797 19.000 -0.337 0.000 1.208 187 A HN 0.675 8.626 8.150 -0.331 0.000 0.477 188 F N 3.757 123.636 119.950 -0.118 0.000 2.444 188 F HA 0.385 4.835 4.527 -0.127 0.000 0.342 188 F C -2.220 173.588 175.800 0.013 0.000 1.121 188 F CA -2.804 55.184 58.000 -0.020 0.000 0.997 188 F CB 3.843 42.972 39.000 0.215 0.000 1.130 188 F HN 0.198 8.667 8.300 0.282 0.000 0.454 189 L N 8.988 129.937 121.223 -0.457 0.000 2.315 189 L HA 0.403 4.794 4.340 -0.222 -0.184 0.283 189 L C -1.210 175.295 176.870 -0.608 0.000 1.089 189 L CA -0.257 54.357 54.840 -0.377 0.000 0.833 189 L CB -0.766 41.145 42.059 -0.246 0.000 1.170 189 L HN 0.373 8.329 8.230 -0.455 0.000 0.442 190 M N 3.458 122.867 119.600 -0.319 0.000 2.520 190 M HA 0.424 4.732 4.480 -0.286 0.000 0.283 190 M C -2.262 174.000 176.300 -0.063 0.000 1.237 190 M CA -1.052 54.125 55.300 -0.205 0.000 0.885 190 M CB 4.192 36.802 32.600 0.016 0.000 1.727 190 M HN 0.269 8.447 8.290 -0.188 0.000 0.468 191 E N 2.507 122.704 120.200 -0.004 0.000 2.373 191 E HA 0.009 4.460 4.350 -0.060 -0.138 0.267 191 E C 1.340 177.985 176.600 0.076 0.000 1.032 191 E CA 0.367 56.772 56.400 0.008 0.000 0.889 191 E CB 0.820 30.550 29.700 0.050 0.000 0.984 191 E HN 0.564 8.935 8.360 0.019 0.000 0.425 192 S N 4.418 120.128 115.700 0.017 0.000 2.382 192 S HA -0.327 4.181 4.470 0.062 0.000 0.228 192 S C 1.706 176.384 174.600 0.131 0.000 1.027 192 S CA 3.808 62.036 58.200 0.046 0.000 0.991 192 S CB 0.133 63.320 63.200 -0.022 0.000 0.823 192 S HN 0.370 8.653 8.310 -0.045 0.000 0.469 193 T N -1.233 113.414 114.554 0.155 0.000 2.833 193 T HA -0.209 4.263 4.350 0.203 0.000 0.269 193 T C 1.685 176.725 174.700 0.566 0.000 1.054 193 T CA 2.880 65.156 62.100 0.293 0.000 1.135 193 T CB -0.404 68.609 68.868 0.242 0.000 0.869 193 T HN 0.053 8.351 8.240 0.097 0.000 0.466 194 T N 4.771 119.615 114.554 0.484 0.000 2.896 194 T HA -0.226 4.394 4.350 0.450 0.000 0.263 194 T C 1.435 176.358 174.700 0.371 0.000 1.050 194 T CA 4.736 67.102 62.100 0.443 0.000 1.140 194 T CB -0.123 68.988 68.868 0.404 0.000 0.877 194 T HN -0.753 7.725 8.240 0.413 0.010 0.457 195 I N 1.976 122.720 120.570 0.290 0.000 2.208 195 I HA -0.521 3.795 4.170 0.243 0.000 0.245 195 I C 1.448 177.711 176.117 0.244 0.000 1.097 195 I CA 4.450 65.893 61.300 0.238 0.000 1.363 195 I CB -0.302 37.799 38.000 0.169 0.000 1.051 195 I HN -0.219 8.144 8.210 0.256 0.000 0.413 196 E N 0.382 120.752 120.200 0.284 0.000 2.058 196 E HA -0.391 4.080 4.350 0.202 0.000 0.194 196 E C 2.235 179.034 176.600 0.333 0.000 0.997 196 E CA 3.022 59.596 56.400 0.289 0.000 0.801 196 E CB -0.133 29.752 29.700 0.308 0.000 0.746 196 E HN -0.400 8.135 8.360 0.292 0.000 0.450 197 F N 0.051 120.168 119.950 0.279 0.000 2.102 197 F HA -0.351 4.209 4.527 0.056 0.000 0.298 197 F C 1.950 177.772 175.800 0.036 0.000 1.105 197 F CA 3.507 61.536 58.000 0.050 0.000 1.239 197 F CB 0.270 39.113 39.000 -0.260 0.000 0.991 197 F HN -0.891 7.796 8.300 0.646 0.000 0.474 198 V N -1.433 118.625 119.914 0.239 0.000 2.343 198 V HA -0.629 3.575 4.120 0.141 0.000 0.247 198 V C 1.651 177.772 176.094 0.045 0.000 1.051 198 V CA 4.420 66.810 62.300 0.151 0.000 1.036 198 V CB -0.006 31.947 31.823 0.217 0.000 0.654 198 V HN -0.122 8.270 8.190 0.337 0.000 0.451 199 T N -3.679 110.915 114.554 0.068 0.000 3.023 199 T HA -0.223 4.152 4.350 0.042 0.000 0.266 199 T C 1.709 176.406 174.700 -0.004 0.000 1.093 199 T CA 2.575 64.701 62.100 0.043 0.000 1.129 199 T CB 0.266 69.176 68.868 0.069 0.000 0.899 199 T HN -0.145 8.159 8.240 0.107 0.000 0.491 200 Q N -0.253 119.520 119.800 -0.044 0.000 2.297 200 Q HA -0.121 4.195 4.340 -0.041 0.000 0.204 200 Q C 1.464 177.386 176.000 -0.129 0.000 0.962 200 Q CA 1.897 57.651 55.803 -0.082 0.000 0.879 200 Q CB -0.134 28.543 28.738 -0.101 0.000 0.947 200 Q HN -0.517 7.710 8.270 -0.042 0.018 0.462 201 R N -4.792 115.608 120.500 -0.166 0.000 2.404 201 R HA 0.056 4.314 4.340 -0.138 0.000 0.237 201 R C -0.482 175.777 176.300 -0.069 0.000 0.907 201 R CA 0.189 56.199 56.100 -0.149 0.000 1.063 201 R CB 1.445 31.602 30.300 -0.238 0.000 1.134 201 R HN -0.749 7.277 8.270 -0.167 0.144 0.529 202 N N 0.249 118.926 118.700 -0.038 0.000 2.576 202 N HA 0.167 4.898 4.740 -0.015 0.000 0.269 202 N C -0.595 174.912 175.510 -0.004 0.000 1.058 202 N CA -0.854 52.189 53.050 -0.011 0.000 0.860 202 N CB 1.415 39.907 38.487 0.009 0.000 1.249 202 N HN -0.472 7.886 8.380 -0.037 0.000 0.525 203 c N 4.826 123.420 118.600 -0.009 0.000 2.539 203 c HA 0.029 4.597 4.570 -0.003 0.000 0.271 203 c C 0.499 174.587 174.090 -0.003 0.000 1.412 203 c CA 0.385 56.710 56.329 -0.005 0.000 1.729 203 c CB -1.568 40.937 42.510 -0.008 0.000 1.739 203 c HN 0.760 8.983 8.230 -0.012 0.000 0.570 204 N N -0.274 118.423 118.700 -0.004 0.000 2.412 204 N HA 0.064 4.795 4.740 -0.016 0.000 0.184 204 N C -1.076 174.426 175.510 -0.014 0.000 1.101 204 N CA 1.837 54.879 53.050 -0.012 0.000 0.881 204 N CB 0.934 39.411 38.487 -0.016 0.000 0.969 204 N HN -0.176 8.442 8.380 -0.003 -0.240 0.459 205 L N -2.536 118.691 121.223 0.008 0.000 2.322 205 L HA 0.677 5.158 4.340 0.013 -0.133 0.269 205 L C -1.047 175.850 176.870 0.045 0.000 1.012 205 L CA -0.968 53.889 54.840 0.029 0.000 0.815 205 L CB 3.041 45.135 42.059 0.058 0.000 1.295 205 L HN -0.675 7.511 8.230 0.013 0.052 0.438 206 T N -0.868 113.728 114.554 0.071 0.000 2.843 206 T HA 0.349 4.741 4.350 0.070 0.000 0.302 206 T C -2.201 172.564 174.700 0.108 0.000 1.232 206 T CA -1.906 60.241 62.100 0.078 0.000 1.009 206 T CB 2.611 71.517 68.868 0.064 0.000 1.254 206 T HN 0.439 8.730 8.240 0.086 0.000 0.504 207 Q N 4.134 123.990 119.800 0.092 0.000 2.314 207 Q HA 0.436 5.052 4.340 0.100 -0.216 0.258 207 Q C -0.612 175.435 176.000 0.078 0.000 0.954 207 Q CA -0.023 55.832 55.803 0.087 0.000 0.890 207 Q CB 1.160 29.939 28.738 0.067 0.000 1.210 207 Q HN 0.208 8.526 8.270 0.080 0.000 0.410 208 I N 5.642 126.256 120.570 0.072 0.000 2.378 208 I HA 0.142 4.346 4.170 0.058 0.000 0.291 208 I C -0.614 175.516 176.117 0.021 0.000 0.992 208 I CA -1.620 59.712 61.300 0.053 0.000 1.154 208 I CB 0.355 38.385 38.000 0.050 0.000 1.315 208 I HN 0.351 8.603 8.210 0.071 0.000 0.448 209 G N 4.813 113.623 108.800 0.017 0.000 2.698 209 G HA2 -0.342 3.678 3.960 0.008 0.000 0.233 209 G HA3 -0.342 3.620 3.960 0.004 0.000 0.233 209 G C -0.896 174.006 174.900 0.004 0.000 1.352 209 G CA -0.377 44.727 45.100 0.008 0.000 0.879 209 G HN -0.051 8.253 8.290 0.023 0.000 0.567 210 G N -1.657 107.141 108.800 -0.004 0.000 2.736 210 G HA2 0.028 3.980 3.960 -0.013 0.000 0.229 210 G HA3 0.028 3.978 3.960 -0.016 0.000 0.229 210 G C -1.700 173.179 174.900 -0.036 0.000 1.380 210 G CA -0.915 44.176 45.100 -0.016 0.000 1.040 210 G HN -0.095 8.195 8.290 -0.001 0.000 0.568 211 L N -1.323 119.866 121.223 -0.056 0.000 2.305 211 L HA 0.006 4.441 4.340 -0.109 -0.161 0.281 211 L C 0.538 177.339 176.870 -0.115 0.000 1.085 211 L CA -0.100 54.680 54.840 -0.100 0.000 0.813 211 L CB 0.938 42.929 42.059 -0.114 0.000 1.157 211 L HN 0.026 8.226 8.230 -0.050 0.000 0.436 212 I N 3.202 123.657 120.570 -0.191 0.000 2.716 212 I HA -0.125 3.987 4.170 -0.097 0.000 0.259 212 I C -0.382 175.539 176.117 -0.328 0.000 1.172 212 I CA 1.407 62.560 61.300 -0.245 0.000 1.478 212 I CB 0.826 38.570 38.000 -0.426 0.000 1.104 212 I HN 0.716 8.791 8.210 -0.225 0.000 0.439 213 D N -3.363 116.801 120.400 -0.392 0.000 2.759 213 D HA 0.094 4.587 4.640 -0.245 0.000 0.321 213 D C -2.128 174.007 176.300 -0.274 0.000 1.267 213 D CA -1.328 52.452 54.000 -0.367 0.000 0.933 213 D CB 1.842 42.253 40.800 -0.647 0.000 1.431 213 D HN -0.635 7.510 8.370 -0.376 0.000 0.504 214 S N -0.243 115.318 115.700 -0.231 0.000 2.571 214 S HA 0.565 5.078 4.470 -0.218 -0.174 0.284 214 S C -0.629 173.846 174.600 -0.210 0.000 1.128 214 S CA -1.230 56.849 58.200 -0.202 0.000 0.970 214 S CB 1.769 64.880 63.200 -0.148 0.000 1.039 214 S HN 0.039 8.220 8.310 -0.215 0.000 0.485 215 K N 3.928 124.180 120.400 -0.246 0.000 2.571 215 K HA 0.305 4.493 4.320 -0.219 0.000 0.289 215 K C -2.753 173.652 176.600 -0.325 0.000 1.028 215 K CA -1.281 54.851 56.287 -0.258 0.000 0.895 215 K CB 2.487 34.833 32.500 -0.257 0.000 1.534 215 K HN 0.387 8.478 8.250 -0.266 0.000 0.421 216 G N -2.645 105.954 108.800 -0.334 0.000 2.473 216 G HA2 0.637 4.485 3.960 -0.453 0.000 0.321 216 G HA3 0.637 4.402 3.960 -0.326 0.000 0.321 216 G C -2.058 172.591 174.900 -0.419 0.000 1.200 216 G CA -1.577 43.287 45.100 -0.395 0.000 0.963 216 G HN 0.133 8.241 8.290 -0.302 0.000 0.483 217 Y N -0.012 119.982 120.300 -0.510 0.000 2.308 217 Y HA 0.522 4.994 4.550 -0.447 -0.190 0.329 217 Y C -0.297 175.138 175.900 -0.775 0.000 1.111 217 Y CA -2.329 55.377 58.100 -0.657 0.000 1.179 217 Y CB 1.070 38.998 38.460 -0.887 0.000 1.201 217 Y HN -0.014 7.887 8.280 -0.631 0.000 0.483 218 G N -0.305 108.415 108.800 -0.134 0.000 2.605 218 G HA2 0.569 4.607 3.960 0.131 0.000 0.296 218 G HA3 0.569 4.651 3.960 0.203 0.000 0.296 218 G C -2.171 173.019 174.900 0.484 0.000 1.304 218 G CA -1.494 43.708 45.100 0.170 0.000 0.941 218 G HN -0.042 8.250 8.290 0.004 0.000 0.475 219 V N 1.085 121.282 119.914 0.472 0.000 2.521 219 V HA -0.148 4.279 4.120 0.272 -0.143 0.286 219 V C -0.061 176.121 176.094 0.148 0.000 1.034 219 V CA 0.723 63.191 62.300 0.280 0.000 1.045 219 V CB 0.580 32.505 31.823 0.170 0.000 0.974 219 V HN -0.072 8.393 8.190 0.457 0.000 0.480 220 G N 6.206 114.988 108.800 -0.029 0.000 2.395 220 G HA2 0.589 4.396 3.960 -0.531 0.000 0.283 220 G HA3 0.589 4.288 3.960 -0.435 0.000 0.283 220 G C -2.049 172.689 174.900 -0.269 0.000 1.178 220 G CA -1.308 43.588 45.100 -0.340 0.000 0.837 220 G HN 0.098 8.384 8.290 -0.006 0.000 0.518 221 T N -1.125 113.245 114.554 -0.306 0.000 2.896 221 T HA 0.726 4.928 4.350 -0.246 0.000 0.297 221 T C -2.455 172.083 174.700 -0.271 0.000 1.108 221 T CA -3.486 58.468 62.100 -0.242 0.000 1.004 221 T CB 1.878 70.661 68.868 -0.142 0.000 1.159 221 T HN 0.505 8.519 8.240 -0.377 0.000 0.499 222 P HA 0.014 4.292 4.420 -0.237 0.000 0.269 222 P C -0.767 176.439 177.300 -0.157 0.000 1.215 222 P CA 0.264 63.214 63.100 -0.250 0.000 0.780 222 P CB 0.544 31.971 31.700 -0.456 0.000 0.898 223 M N 3.246 122.782 119.600 -0.107 0.000 2.284 223 M HA -0.537 4.021 4.480 -0.088 -0.130 0.351 223 M C 1.036 177.321 176.300 -0.025 0.000 1.443 223 M CA 1.379 56.637 55.300 -0.070 0.000 1.031 223 M CB -0.411 32.156 32.600 -0.056 0.000 1.893 223 M HN 0.526 8.753 8.290 -0.104 0.000 0.456 224 G N 5.570 114.354 108.800 -0.027 0.000 2.195 224 G HA2 -0.411 3.542 3.960 -0.011 0.000 0.246 224 G HA3 -0.411 3.551 3.960 0.003 0.000 0.246 224 G C -0.543 174.348 174.900 -0.014 0.000 0.984 224 G CA -0.281 44.813 45.100 -0.010 0.000 0.633 224 G HN 0.562 9.189 8.290 -0.035 -0.358 0.525 225 S N 2.202 117.885 115.700 -0.028 0.000 2.549 225 S HA 0.197 4.661 4.470 -0.010 0.000 0.286 225 S C 0.436 175.022 174.600 -0.023 0.000 1.314 225 S CA -2.197 55.993 58.200 -0.017 0.000 1.062 225 S CB 0.886 64.079 63.200 -0.012 0.000 0.865 225 S HN -0.570 7.664 8.310 -0.045 0.049 0.498 226 P HA 0.025 4.391 4.420 -0.090 0.000 0.229 226 P C 0.237 177.436 177.300 -0.169 0.000 1.160 226 P CA 1.231 64.248 63.100 -0.138 0.000 0.777 226 P CB 0.094 31.667 31.700 -0.211 0.000 0.814 227 Y N -1.369 118.892 120.300 -0.064 0.000 2.439 227 Y HA -0.271 4.253 4.550 -0.042 0.000 0.292 227 Y C 1.765 177.641 175.900 -0.041 0.000 1.130 227 Y CA 3.119 61.179 58.100 -0.067 0.000 1.254 227 Y CB -0.597 37.779 38.460 -0.140 0.000 1.000 227 Y HN -0.450 7.825 8.280 0.047 0.033 0.554 228 R N -0.429 120.123 120.500 0.087 0.000 2.080 228 R HA -0.451 3.930 4.340 0.069 0.000 0.236 228 R C 1.420 177.760 176.300 0.067 0.000 1.137 228 R CA 4.137 60.273 56.100 0.061 0.000 0.943 228 R CB -0.488 29.828 30.300 0.027 0.000 0.846 228 R HN -0.851 7.419 8.270 0.059 0.036 0.431 229 D N -2.617 117.808 120.400 0.043 0.000 2.194 229 D HA -0.103 4.566 4.640 0.049 0.000 0.204 229 D C 2.268 178.598 176.300 0.050 0.000 0.964 229 D CA 3.143 57.167 54.000 0.040 0.000 0.846 229 D CB -0.640 40.172 40.800 0.019 0.000 0.962 229 D HN 0.148 8.533 8.370 0.025 0.000 0.490 230 K N 0.370 120.801 120.400 0.052 0.000 2.097 230 K HA -0.227 4.126 4.320 0.056 0.000 0.205 230 K C 2.540 179.208 176.600 0.112 0.000 1.050 230 K CA 3.335 59.666 56.287 0.073 0.000 0.938 230 K CB 0.065 32.607 32.500 0.070 0.000 0.718 230 K HN -0.909 7.365 8.250 0.040 0.000 0.442 231 I N 0.010 120.660 120.570 0.134 0.000 2.286 231 I HA -0.456 3.803 4.170 0.149 0.000 0.245 231 I C 1.514 177.703 176.117 0.120 0.000 1.104 231 I CA 3.905 65.288 61.300 0.139 0.000 1.397 231 I CB -0.091 37.991 38.000 0.136 0.000 1.072 231 I HN -0.042 8.249 8.210 0.136 0.000 0.417 232 T N 3.157 117.776 114.554 0.109 0.000 2.665 232 T HA -0.517 3.902 4.350 0.116 0.000 0.268 232 T C 1.544 176.295 174.700 0.085 0.000 1.035 232 T CA 5.573 67.733 62.100 0.099 0.000 1.151 232 T CB -0.064 68.853 68.868 0.081 0.000 0.862 232 T HN -0.184 8.117 8.240 0.103 0.000 0.438 233 L N -0.208 121.058 121.223 0.072 0.000 2.046 233 L HA -0.479 3.893 4.340 0.054 0.000 0.208 233 L C 1.634 178.543 176.870 0.064 0.000 1.077 233 L CA 3.357 58.233 54.840 0.060 0.000 0.747 233 L CB -0.621 41.468 42.059 0.050 0.000 0.896 233 L HN -0.452 7.821 8.230 0.070 0.000 0.432 234 A N -0.511 122.354 122.820 0.075 0.000 1.902 234 A HA -0.323 4.031 4.320 0.057 0.000 0.217 234 A C 2.024 179.650 177.584 0.069 0.000 1.181 234 A CA 3.083 55.161 52.037 0.068 0.000 0.623 234 A CB -0.921 18.126 19.000 0.078 0.000 0.818 234 A HN -0.430 7.771 8.150 0.085 0.000 0.443 235 I N -1.477 119.148 120.570 0.091 0.000 2.226 235 I HA -0.616 3.615 4.170 0.103 0.000 0.245 235 I C 1.703 177.879 176.117 0.099 0.000 1.100 235 I CA 4.547 65.914 61.300 0.112 0.000 1.374 235 I CB 0.043 38.146 38.000 0.170 0.000 1.057 235 I HN -0.157 8.114 8.210 0.101 0.000 0.413 236 L N -1.074 120.198 121.223 0.083 0.000 2.083 236 L HA -0.340 4.207 4.340 0.070 -0.165 0.209 236 L C 2.485 179.388 176.870 0.056 0.000 1.083 236 L CA 2.883 57.762 54.840 0.066 0.000 0.752 236 L CB -0.585 41.506 42.059 0.054 0.000 0.899 236 L HN -0.200 8.079 8.230 0.082 0.000 0.433 237 K N -0.268 120.163 120.400 0.051 0.000 2.026 237 K HA -0.301 4.041 4.320 0.037 0.000 0.208 237 K C 2.228 178.854 176.600 0.044 0.000 1.048 237 K CA 2.606 58.918 56.287 0.042 0.000 0.929 237 K CB -0.519 32.004 32.500 0.038 0.000 0.713 237 K HN -0.541 7.741 8.250 0.054 0.000 0.439 238 L N -1.687 119.566 121.223 0.050 0.000 2.083 238 L HA -0.279 4.086 4.340 0.042 0.000 0.209 238 L C 2.402 179.312 176.870 0.067 0.000 1.083 238 L CA 2.905 57.775 54.840 0.051 0.000 0.752 238 L CB -0.429 41.657 42.059 0.046 0.000 0.899 238 L HN -0.103 8.159 8.230 0.053 0.000 0.433 239 Q N -1.487 118.360 119.800 0.077 0.000 2.083 239 Q HA -0.300 4.099 4.340 0.099 0.000 0.198 239 Q C 2.695 178.730 176.000 0.059 0.000 0.969 239 Q CA 3.056 58.909 55.803 0.083 0.000 0.838 239 Q CB -0.353 28.437 28.738 0.086 0.000 0.900 239 Q HN -0.167 8.150 8.270 0.078 0.000 0.436 240 E N -0.232 119.996 120.200 0.046 0.000 2.085 240 E HA -0.296 4.070 4.350 0.027 0.000 0.194 240 E C 1.952 178.571 176.600 0.032 0.000 0.994 240 E CA 2.507 58.926 56.400 0.032 0.000 0.801 240 E CB -0.518 29.198 29.700 0.028 0.000 0.743 240 E HN -0.393 7.995 8.360 0.047 0.000 0.453 241 E N -2.005 118.218 120.200 0.038 0.000 2.478 241 E HA -0.183 4.186 4.350 0.031 0.000 0.198 241 E C 0.519 177.148 176.600 0.049 0.000 1.046 241 E CA 0.107 56.529 56.400 0.038 0.000 0.870 241 E CB 0.074 29.795 29.700 0.035 0.000 0.818 241 E HN -0.625 7.732 8.360 0.043 0.029 0.527 242 G N -2.175 106.662 108.800 0.062 0.000 2.162 242 G HA2 -0.473 3.544 3.960 0.094 0.000 0.260 242 G HA3 -0.473 3.538 3.960 0.084 0.000 0.260 242 G C 0.483 175.461 174.900 0.129 0.000 0.976 242 G CA 0.810 45.966 45.100 0.093 0.000 0.655 242 G HN 0.033 8.114 8.290 0.060 0.244 0.533 243 K N 0.396 120.854 120.400 0.096 0.000 2.155 243 K HA -0.200 4.170 4.320 0.084 0.000 0.203 243 K C 1.623 178.285 176.600 0.103 0.000 1.052 243 K CA 2.708 59.045 56.287 0.084 0.000 0.948 243 K CB 0.003 32.532 32.500 0.048 0.000 0.728 243 K HN -0.394 7.863 8.250 0.080 0.041 0.448 244 L N -2.558 118.746 121.223 0.135 0.000 2.093 244 L HA -0.350 4.079 4.340 0.149 0.000 0.208 244 L C 1.165 178.188 176.870 0.255 0.000 1.085 244 L CA 3.269 58.227 54.840 0.196 0.000 0.755 244 L CB -0.590 41.619 42.059 0.249 0.000 0.904 244 L HN -0.633 7.676 8.230 0.131 0.000 0.435 245 H N -0.534 118.613 119.070 0.129 0.000 2.389 245 H HA -0.321 4.300 4.556 0.109 0.000 0.299 245 H C 1.667 177.067 175.328 0.121 0.000 1.081 245 H CA 3.574 59.687 56.048 0.107 0.000 1.345 245 H CB 0.300 30.099 29.762 0.062 0.000 1.393 245 H HN -0.194 8.262 8.280 0.292 0.000 0.520 246 M N -1.391 118.243 119.600 0.057 0.000 2.175 246 M HA -0.332 4.102 4.480 -0.076 0.000 0.264 246 M C 2.479 178.807 176.300 0.047 0.000 1.063 246 M CA 3.806 59.108 55.300 0.005 0.000 1.119 246 M CB 0.186 32.824 32.600 0.064 0.000 1.377 246 M HN -0.588 7.795 8.290 0.155 0.000 0.415 247 M N -0.904 118.775 119.600 0.131 0.000 2.132 247 M HA -0.443 4.173 4.480 0.226 0.000 0.263 247 M C 1.942 178.562 176.300 0.534 0.000 1.065 247 M CA 4.244 59.696 55.300 0.254 0.000 1.122 247 M CB -0.123 32.505 32.600 0.045 0.000 1.365 247 M HN -0.314 7.969 8.290 0.128 0.084 0.411 248 K N 0.016 120.698 120.400 0.470 0.000 2.057 248 K HA -0.417 4.275 4.320 0.620 0.000 0.207 248 K C 2.085 178.867 176.600 0.303 0.000 1.049 248 K CA 3.775 60.283 56.287 0.369 0.000 0.931 248 K CB -0.176 32.299 32.500 -0.041 0.000 0.714 248 K HN -0.230 8.238 8.250 0.364 0.000 0.440 249 E N -1.770 118.454 120.200 0.039 0.000 2.110 249 E HA -0.292 4.094 4.350 0.060 0.000 0.193 249 E C 1.811 178.468 176.600 0.095 0.000 0.988 249 E CA 2.581 58.992 56.400 0.018 0.000 0.804 249 E CB -0.146 29.468 29.700 -0.144 0.000 0.745 249 E HN -0.400 7.903 8.360 -0.096 0.000 0.458 250 K N -1.073 119.360 120.400 0.056 0.000 2.026 250 K HA -0.245 3.982 4.320 -0.155 0.000 0.208 250 K C 1.457 177.938 176.600 -0.198 0.000 1.048 250 K CA 2.597 58.798 56.287 -0.143 0.000 0.929 250 K CB 0.198 32.532 32.500 -0.278 0.000 0.713 250 K HN -0.498 7.799 8.250 0.078 0.000 0.439 251 W N -4.511 116.979 121.300 0.315 0.000 2.863 251 W HA -0.000 4.747 4.660 0.146 0.000 0.258 251 W C 0.526 177.195 176.519 0.250 0.000 1.298 251 W CA 0.285 57.779 57.345 0.249 0.000 1.451 251 W CB 0.861 30.462 29.460 0.235 0.000 1.107 251 W HN -0.768 7.730 8.180 0.531 0.000 0.641 257 c N 0.000 118.589 118.600 -0.019 0.000 2.653 257 c HA 0.000 4.564 4.570 -0.009 0.000 0.325 257 c CA 0.000 56.324 56.329 -0.009 0.000 1.963 257 c CB 0.000 42.506 42.510 -0.007 0.000 2.134 257 c HN 0.000 nan 8.230 nan 0.000 0.568