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 3g3f_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNRSLIVTTI LEEPYVLFKK SDKPLYGNDR FEGYCIDLLR ELSTILGFTY DATA SEQUENCE EIRLVEDGKY GAQDDVNGQW NGMVRELIDH KADLAVAPLA ITYVREKVID DATA SEQUENCE FSKPFMTLGI SILYRKGTPI DSADDLAKQT KIEYGAVEDG ATMTFFKKSK DATA SEQUENCE ISTYDKMWAF MSSRRQSVLV KSNEEGIQRV LTSDYAFLME STTIEFVTQR DATA SEQUENCE NcNLTQIGGL IDSKGYGVGT PMGSPYRDKI TIAILQLQEE GKLHMMKEKW DATA SEQUENCE WRXXGc 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 2 S HA 0.000 4.486 4.470 0.027 0.000 0.327 2 S C 0.000 174.620 174.600 0.034 0.000 1.055 2 S CA 0.000 58.215 58.200 0.025 0.000 1.107 2 S CB 0.000 63.212 63.200 0.021 0.000 0.593 3 N N 2.285 121.013 118.700 0.047 0.000 2.479 3 N HA 0.014 4.785 4.740 0.052 0.000 0.257 3 N C -0.087 175.458 175.510 0.058 0.000 1.232 3 N CA -0.132 52.953 53.050 0.060 0.000 0.920 3 N CB 0.456 38.995 38.487 0.087 0.000 1.105 3 N HN 0.059 8.469 8.380 0.051 0.000 0.444 4 R N 1.487 122.019 120.500 0.052 0.000 2.538 4 R HA -0.190 4.171 4.340 0.035 0.000 0.282 4 R C -0.501 175.830 176.300 0.052 0.000 1.009 4 R CA 0.498 56.623 56.100 0.042 0.000 1.063 4 R CB 0.592 30.912 30.300 0.034 0.000 0.945 4 R HN 0.158 8.459 8.270 0.051 0.000 0.414 5 S N 2.552 118.278 115.700 0.044 0.000 2.549 5 S HA -0.093 4.559 4.470 0.097 -0.124 0.283 5 S C 0.020 174.637 174.600 0.029 0.000 1.320 5 S CA 0.025 58.261 58.200 0.060 0.000 1.058 5 S CB 0.504 63.730 63.200 0.042 0.000 0.882 5 S HN 0.032 8.363 8.310 0.034 0.000 0.498 6 L N 3.570 124.801 121.223 0.014 0.000 2.380 6 L HA -0.087 4.311 4.340 -0.144 -0.144 0.273 6 L C -0.190 176.646 176.870 -0.057 0.000 1.138 6 L CA -0.095 54.671 54.840 -0.123 0.000 0.832 6 L CB 0.403 42.220 42.059 -0.405 0.000 1.124 6 L HN 0.278 8.556 8.230 0.079 0.000 0.454 7 I N 3.092 123.606 120.570 -0.094 0.000 2.352 7 I HA 0.143 4.447 4.170 -0.023 -0.147 0.290 7 I C -0.370 175.675 176.117 -0.119 0.000 1.036 7 I CA -2.239 59.021 61.300 -0.066 0.000 1.336 7 I CB -1.052 36.913 38.000 -0.058 0.000 1.407 7 I HN 0.437 8.932 8.210 -0.117 -0.355 0.497 8 V N 8.964 128.820 119.914 -0.096 0.000 2.334 8 V HA 0.435 4.647 4.120 -0.188 -0.205 0.281 8 V C -0.913 175.085 176.094 -0.159 0.000 1.016 8 V CA -1.510 60.697 62.300 -0.154 0.000 0.832 8 V CB 1.450 33.172 31.823 -0.169 0.000 0.999 8 V HN 0.552 8.712 8.190 -0.048 0.000 0.439 9 T N 8.802 123.257 114.554 -0.164 0.000 2.909 9 T HA 0.764 5.261 4.350 -0.155 -0.240 0.289 9 T C -0.739 173.844 174.700 -0.196 0.000 1.005 9 T CA -0.897 61.106 62.100 -0.161 0.000 1.084 9 T CB 0.942 69.729 68.868 -0.135 0.000 0.975 9 T HN 0.349 8.489 8.240 -0.166 0.000 0.509 10 T N 4.728 119.148 114.554 -0.223 0.000 2.671 10 T HA 0.371 4.583 4.350 -0.231 0.000 0.300 10 T C -2.658 171.887 174.700 -0.259 0.000 1.238 10 T CA -2.079 59.868 62.100 -0.254 0.000 1.020 10 T CB 1.833 70.513 68.868 -0.313 0.000 1.503 10 T HN -0.293 7.820 8.240 -0.212 0.000 0.497 11 I N -0.236 120.169 120.570 -0.274 0.000 2.827 11 I HA 0.223 4.257 4.170 -0.227 0.000 0.298 11 I C -2.602 173.396 176.117 -0.199 0.000 1.235 11 I CA -1.598 59.541 61.300 -0.269 0.000 1.021 11 I CB 4.039 41.763 38.000 -0.459 0.000 1.259 11 I HN 0.162 8.214 8.210 -0.263 0.000 0.427 12 L N 4.442 125.576 121.223 -0.149 0.000 2.410 12 L HA -0.061 4.320 4.340 -0.139 -0.125 0.273 12 L C -0.916 175.936 176.870 -0.031 0.000 1.144 12 L CA 0.211 54.985 54.840 -0.111 0.000 0.863 12 L CB 0.185 42.185 42.059 -0.099 0.000 1.140 12 L HN 0.188 8.337 8.230 -0.135 0.000 0.463 13 E N 4.104 124.302 120.200 -0.004 0.000 2.531 13 E HA 0.138 4.538 4.350 0.084 0.000 0.323 13 E C -2.367 174.261 176.600 0.047 0.000 0.908 13 E CA -0.937 55.514 56.400 0.085 0.000 0.792 13 E CB 3.407 33.214 29.700 0.179 0.000 1.360 13 E HN 0.155 8.494 8.360 -0.035 0.000 0.394 14 E N 6.044 126.198 120.200 -0.076 0.000 2.360 14 E HA 0.048 4.180 4.350 -0.363 0.000 0.269 14 E C -1.183 174.967 176.600 -0.749 0.000 1.022 14 E CA -2.751 53.438 56.400 -0.352 0.000 0.887 14 E CB 0.911 30.460 29.700 -0.253 0.000 0.990 14 E HN 0.263 8.603 8.360 -0.033 0.000 0.426 15 P HA 0.282 4.264 4.420 -0.729 0.000 0.266 15 P C -0.513 176.271 177.300 -0.860 0.000 1.561 15 P CA -0.085 62.383 63.100 -1.053 0.000 1.089 15 P CB 0.283 31.198 31.700 -1.309 0.000 1.534 16 Y N 0.659 120.697 120.300 -0.438 0.000 2.206 16 Y HA -0.104 4.325 4.550 -0.203 0.000 0.292 16 Y C 0.215 175.918 175.900 -0.328 0.000 1.123 16 Y CA 4.111 62.050 58.100 -0.268 0.000 1.142 16 Y CB 0.694 39.081 38.460 -0.121 0.000 1.006 16 Y HN -0.399 7.527 8.280 -0.465 0.075 0.518 17 V N -3.546 116.291 119.914 -0.127 0.000 2.655 17 V HA 0.394 4.544 4.120 -0.193 -0.146 0.301 17 V C -1.888 174.121 176.094 -0.142 0.000 1.082 17 V CA -0.632 61.573 62.300 -0.158 0.000 0.899 17 V CB 2.369 34.101 31.823 -0.151 0.000 1.014 17 V HN -0.383 7.756 8.190 -0.086 0.000 0.429 18 L N 3.910 125.064 121.223 -0.115 0.000 2.359 18 L HA 0.449 4.729 4.340 -0.099 0.000 0.256 18 L C -1.526 175.327 176.870 -0.028 0.000 1.026 18 L CA -1.183 53.612 54.840 -0.074 0.000 0.828 18 L CB 4.215 46.260 42.059 -0.024 0.000 1.406 18 L HN 0.514 8.683 8.230 -0.102 0.000 0.413 19 F N 0.009 119.966 119.950 0.012 0.000 2.427 19 F HA 0.172 4.755 4.527 -0.188 -0.168 0.352 19 F C 0.681 176.452 175.800 -0.049 0.000 1.100 19 F CA -0.259 57.683 58.000 -0.096 0.000 1.191 19 F CB 0.945 39.865 39.000 -0.132 0.000 1.128 19 F HN -0.026 8.325 8.300 0.084 0.000 0.533 20 K N 4.511 125.001 120.400 0.151 0.000 2.485 20 K HA -0.228 4.164 4.320 0.121 0.000 0.277 20 K C 0.154 176.787 176.600 0.056 0.000 0.990 20 K CA 0.524 56.871 56.287 0.100 0.000 0.994 20 K CB 0.514 33.058 32.500 0.074 0.000 0.906 20 K HN 0.029 8.357 8.250 0.130 0.000 0.488 21 K N 3.880 124.313 120.400 0.054 0.000 2.276 21 K HA 0.050 4.374 4.320 0.005 0.000 0.283 21 K C -0.555 176.048 176.600 0.005 0.000 1.044 21 K CA 0.790 57.091 56.287 0.022 0.000 0.944 21 K CB 0.513 33.033 32.500 0.034 0.000 1.012 21 K HN 0.314 8.608 8.250 0.073 0.000 0.472 22 S N 3.057 118.743 115.700 -0.022 0.000 2.565 22 S HA 0.176 4.640 4.470 -0.011 0.000 0.269 22 S C -0.517 174.062 174.600 -0.036 0.000 1.153 22 S CA -1.119 57.066 58.200 -0.025 0.000 0.835 22 S CB 1.536 64.715 63.200 -0.037 0.000 1.122 22 S HN 0.114 8.403 8.310 -0.036 0.000 0.462 23 D N 2.117 122.501 120.400 -0.026 0.000 2.144 23 D HA 0.002 4.622 4.640 -0.033 0.000 0.207 23 D C 0.495 176.773 176.300 -0.036 0.000 0.970 23 D CA 1.262 55.246 54.000 -0.028 0.000 0.853 23 D CB 0.401 41.192 40.800 -0.015 0.000 1.007 23 D HN 0.188 8.548 8.370 -0.017 0.000 0.469 24 K N 0.699 121.084 120.400 -0.025 0.000 2.295 24 K HA 0.230 4.539 4.320 -0.018 0.000 0.270 24 K C -2.375 174.186 176.600 -0.066 0.000 1.011 24 K CA -2.042 54.233 56.287 -0.021 0.000 0.953 24 K CB 0.373 32.880 32.500 0.013 0.000 0.956 24 K HN -0.119 8.122 8.250 -0.016 0.000 0.477 25 P HA -0.099 4.164 4.420 -0.262 0.000 0.269 25 P C -1.333 175.765 177.300 -0.337 0.000 1.209 25 P CA -0.082 62.864 63.100 -0.257 0.000 0.776 25 P CB 0.631 32.145 31.700 -0.311 0.000 0.876 26 L N 0.757 121.720 121.223 -0.435 0.000 2.334 26 L HA 0.225 4.475 4.340 -0.150 0.000 0.272 26 L C -1.050 175.472 176.870 -0.581 0.000 1.020 26 L CA -1.046 53.594 54.840 -0.333 0.000 0.812 26 L CB 2.359 44.309 42.059 -0.182 0.000 1.264 26 L HN -0.060 7.914 8.230 -0.426 0.000 0.439 27 Y N -0.880 119.396 120.300 -0.040 0.000 2.477 27 Y HA 0.071 4.605 4.550 -0.028 0.000 0.347 27 Y C 0.505 176.416 175.900 0.019 0.000 0.981 27 Y CA -0.696 57.394 58.100 -0.018 0.000 1.033 27 Y CB 3.160 41.614 38.460 -0.010 0.000 1.245 27 Y HN 0.072 8.418 8.280 0.110 0.000 0.455 28 G N 3.406 112.325 108.800 0.199 0.000 2.596 28 G HA2 -0.469 3.617 3.960 0.210 0.000 0.295 28 G HA3 -0.469 3.596 3.960 0.175 0.000 0.295 28 G C 0.822 175.875 174.900 0.256 0.000 1.240 28 G CA 1.201 46.422 45.100 0.201 0.000 0.985 28 G HN 0.139 8.543 8.290 0.190 0.000 0.555 29 N N 3.252 122.095 118.700 0.239 0.000 2.381 29 N HA -0.216 4.834 4.740 0.516 0.000 0.182 29 N C 1.622 177.317 175.510 0.310 0.000 1.025 29 N CA 2.222 55.472 53.050 0.333 0.000 0.888 29 N CB -0.517 38.084 38.487 0.190 0.000 0.965 29 N HN 0.283 8.764 8.380 0.168 0.000 0.438 30 D N 0.613 121.119 120.400 0.177 0.000 2.350 30 D HA -0.172 4.549 4.640 0.135 0.000 0.216 30 D C 1.087 177.425 176.300 0.064 0.000 0.968 30 D CA 1.574 55.648 54.000 0.124 0.000 0.894 30 D CB -0.276 40.584 40.800 0.100 0.000 0.909 30 D HN -0.533 7.898 8.370 0.156 0.033 0.520 31 R N -2.545 117.938 120.500 -0.027 0.000 2.235 31 R HA -0.230 4.017 4.340 -0.156 0.000 0.213 31 R C -0.147 176.013 176.300 -0.233 0.000 1.059 31 R CA 2.279 58.241 56.100 -0.231 0.000 0.997 31 R CB 0.364 30.370 30.300 -0.489 0.000 0.884 31 R HN -0.636 7.587 8.270 0.010 0.053 0.462 32 F N -3.759 116.276 119.950 0.141 0.000 2.492 32 F HA 0.736 5.475 4.527 0.051 -0.181 0.327 32 F C -0.913 174.911 175.800 0.040 0.000 1.079 32 F CA -1.546 56.489 58.000 0.057 0.000 0.967 32 F CB 3.135 42.127 39.000 -0.013 0.000 1.169 32 F HN -0.760 7.623 8.300 0.221 0.049 0.472 33 E N -2.175 118.129 120.200 0.174 0.000 2.449 33 E HA 0.366 4.777 4.350 0.102 0.000 0.278 33 E C -2.053 174.398 176.600 -0.247 0.000 0.992 33 E CA -1.956 54.487 56.400 0.070 0.000 0.807 33 E CB 3.743 33.581 29.700 0.230 0.000 1.350 33 E HN 0.398 8.845 8.360 0.145 0.000 0.462 34 G N -2.836 105.534 108.800 -0.717 0.000 2.361 34 G HA2 -0.195 1.930 3.960 -3.058 0.000 0.331 34 G HA3 -0.195 3.289 3.960 -1.019 -0.135 0.331 34 G C -1.363 172.715 174.900 -1.370 0.000 1.324 34 G CA -0.412 43.713 45.100 -1.626 0.000 0.984 34 G HN -0.260 7.744 8.290 -0.476 0.000 0.586 35 Y N 0.851 120.248 120.300 -1.505 0.000 2.114 35 Y HA -0.329 3.949 4.550 -0.453 0.000 0.282 35 Y C 1.240 176.986 175.900 -0.255 0.000 1.165 35 Y CA 4.073 61.827 58.100 -0.576 0.000 1.148 35 Y CB 0.675 39.090 38.460 -0.075 0.000 0.972 35 Y HN -0.220 7.280 8.280 -1.300 0.000 0.504 36 C N -3.541 115.764 119.300 0.008 0.000 2.432 36 C HA -0.421 3.965 4.460 -0.124 0.000 0.280 36 C C 1.394 176.255 174.990 -0.215 0.000 1.353 36 C CA 4.408 63.374 59.018 -0.088 0.000 1.766 36 C CB -0.448 27.276 27.740 -0.026 0.000 1.924 36 C HN -0.285 7.859 8.230 0.037 0.108 0.509 37 I N 0.648 121.090 120.570 -0.214 0.000 2.252 37 I HA -0.368 3.701 4.170 -0.168 0.000 0.245 37 I C 1.775 177.819 176.117 -0.121 0.000 1.102 37 I CA 2.231 63.438 61.300 -0.155 0.000 1.385 37 I CB -1.016 36.937 38.000 -0.078 0.000 1.064 37 I HN -0.767 7.296 8.210 -0.245 0.000 0.414 38 D N -0.024 120.304 120.400 -0.120 0.000 2.117 38 D HA -0.282 4.353 4.640 -0.008 0.000 0.197 38 D C 2.448 178.641 176.300 -0.179 0.000 0.987 38 D CA 3.441 57.397 54.000 -0.073 0.000 0.829 38 D CB -0.303 40.513 40.800 0.027 0.000 0.961 38 D HN -0.249 8.030 8.370 -0.153 0.000 0.460 39 L N 0.637 121.670 121.223 -0.317 0.000 2.017 39 L HA -0.261 3.896 4.340 -0.305 0.000 0.208 39 L C 1.451 178.174 176.870 -0.245 0.000 1.073 39 L CA 2.900 57.538 54.840 -0.336 0.000 0.745 39 L CB -0.200 41.563 42.059 -0.493 0.000 0.894 39 L HN -0.218 7.782 8.230 -0.384 0.000 0.432 40 L N -1.463 119.604 121.223 -0.261 0.000 2.042 40 L HA -0.411 3.776 4.340 -0.255 0.000 0.210 40 L C 1.753 178.444 176.870 -0.298 0.000 1.076 40 L CA 3.194 57.849 54.840 -0.307 0.000 0.749 40 L CB -0.666 41.136 42.059 -0.429 0.000 0.893 40 L HN -0.238 7.830 8.230 -0.270 0.000 0.432 41 R N -1.622 118.774 120.500 -0.174 0.000 2.091 41 R HA -0.377 3.978 4.340 0.024 0.000 0.238 41 R C 2.714 178.958 176.300 -0.094 0.000 1.136 41 R CA 3.449 59.517 56.100 -0.052 0.000 0.959 41 R CB -0.363 29.951 30.300 0.023 0.000 0.856 41 R HN -0.334 7.849 8.270 -0.146 0.000 0.437 42 E N -1.031 119.107 120.200 -0.103 0.000 2.072 42 E HA -0.261 4.047 4.350 -0.070 0.000 0.191 42 E C 2.509 179.046 176.600 -0.106 0.000 0.985 42 E CA 2.492 58.840 56.400 -0.088 0.000 0.801 42 E CB -0.352 29.303 29.700 -0.076 0.000 0.750 42 E HN -0.492 7.802 8.360 -0.111 0.000 0.452 43 L N -1.771 119.382 121.223 -0.116 0.000 2.083 43 L HA -0.412 3.919 4.340 -0.015 0.000 0.209 43 L C 2.059 178.763 176.870 -0.277 0.000 1.083 43 L CA 3.490 58.290 54.840 -0.067 0.000 0.752 43 L CB -0.618 41.477 42.059 0.059 0.000 0.899 43 L HN 0.136 8.290 8.230 -0.126 0.000 0.433 44 S N -0.939 114.410 115.700 -0.585 0.000 2.382 44 S HA -0.294 2.705 4.470 -2.453 0.000 0.228 44 S C 2.483 176.759 174.600 -0.540 0.000 1.027 44 S CA 3.611 61.122 58.200 -1.149 0.000 0.991 44 S CB -0.868 61.953 63.200 -0.631 0.000 0.823 44 S HN 0.002 8.056 8.310 -0.426 0.000 0.469 45 T N 3.766 118.163 114.554 -0.262 0.000 2.851 45 T HA -0.231 4.043 4.350 -0.128 0.000 0.262 45 T C 1.166 175.811 174.700 -0.092 0.000 1.043 45 T CA 4.008 66.026 62.100 -0.137 0.000 1.140 45 T CB 0.209 69.030 68.868 -0.079 0.000 0.872 45 T HN -0.753 7.353 8.240 -0.223 0.000 0.446 46 I N -0.396 120.129 120.570 -0.075 0.000 2.179 46 I HA -0.362 3.802 4.170 -0.010 0.000 0.242 46 I C 1.223 177.348 176.117 0.014 0.000 1.088 46 I CA 2.969 64.259 61.300 -0.017 0.000 1.357 46 I CB 0.318 38.322 38.000 0.007 0.000 1.051 46 I HN -0.442 7.714 8.210 -0.090 0.000 0.409 47 L N -5.957 115.283 121.223 0.029 0.000 2.529 47 L HA 0.132 4.554 4.340 0.136 0.000 0.223 47 L C 0.475 177.438 176.870 0.155 0.000 1.113 47 L CA -0.074 54.858 54.840 0.154 0.000 0.861 47 L CB 0.688 42.969 42.059 0.371 0.000 1.012 47 L HN -0.355 7.857 8.230 -0.030 0.000 0.461 48 G N -1.218 107.586 108.800 0.007 0.000 2.368 48 G HA2 -0.312 3.674 3.960 -0.041 0.000 0.290 48 G HA3 -0.312 3.685 3.960 0.060 0.000 0.290 48 G C -0.687 174.299 174.900 0.144 0.000 1.098 48 G CA 0.123 45.239 45.100 0.026 0.000 1.073 48 G HN -0.516 7.713 8.290 -0.102 0.000 0.511 49 F N -2.486 117.526 119.950 0.104 0.000 2.603 49 F HA 0.556 5.139 4.527 0.094 0.000 0.317 49 F C -1.767 174.104 175.800 0.118 0.000 1.066 49 F CA -3.015 55.048 58.000 0.106 0.000 0.941 49 F CB 2.258 41.318 39.000 0.099 0.000 1.291 49 F HN -0.803 7.248 8.300 -0.415 0.000 0.472 50 T N -3.523 111.229 114.554 0.329 0.000 2.936 50 T HA 0.393 4.800 4.350 0.095 0.000 0.282 50 T C -1.845 173.079 174.700 0.372 0.000 1.003 50 T CA -1.827 60.388 62.100 0.191 0.000 1.005 50 T CB 2.110 70.992 68.868 0.024 0.000 1.097 50 T HN 0.136 8.559 8.240 0.306 0.000 0.532 51 Y N -4.766 115.625 120.300 0.151 0.000 2.656 51 Y HA 0.787 5.638 4.550 0.074 -0.257 0.334 51 Y C -2.253 173.679 175.900 0.052 0.000 1.179 51 Y CA -1.770 56.397 58.100 0.111 0.000 1.050 51 Y CB 3.145 41.712 38.460 0.179 0.000 1.308 51 Y HN -0.125 7.962 8.280 -0.322 0.000 0.456 52 E N 1.378 121.695 120.200 0.196 0.000 2.216 52 E HA 0.391 4.941 4.350 0.099 -0.141 0.260 52 E C -1.127 175.551 176.600 0.131 0.000 0.880 52 E CA -1.942 54.531 56.400 0.121 0.000 0.765 52 E CB 4.027 33.764 29.700 0.063 0.000 1.174 52 E HN 0.231 8.711 8.360 0.199 0.000 0.417 53 I N 7.715 128.364 120.570 0.130 0.000 2.471 53 I HA 0.056 4.333 4.170 -0.094 -0.164 0.286 53 I C -0.826 175.255 176.117 -0.060 0.000 1.079 53 I CA 0.708 61.971 61.300 -0.062 0.000 1.398 53 I CB 0.170 37.998 38.000 -0.286 0.000 1.403 53 I HN 0.262 8.916 8.210 0.178 -0.337 0.530 54 R N 5.953 126.389 120.500 -0.107 0.000 2.502 54 R HA 0.388 4.749 4.340 0.035 0.000 0.300 54 R C -1.247 174.998 176.300 -0.092 0.000 0.984 54 R CA -2.131 53.947 56.100 -0.038 0.000 0.882 54 R CB 2.741 33.032 30.300 -0.015 0.000 1.180 54 R HN 0.293 8.477 8.270 -0.144 0.000 0.444 55 L N 3.982 125.184 121.223 -0.035 0.000 2.455 55 L HA -0.013 4.410 4.340 -0.136 -0.165 0.272 55 L C 0.542 177.382 176.870 -0.050 0.000 1.174 55 L CA -0.155 54.649 54.840 -0.059 0.000 0.869 55 L CB 0.577 42.651 42.059 0.026 0.000 1.130 55 L HN 0.396 8.658 8.230 0.054 0.000 0.474 56 V N 3.076 122.935 119.914 -0.092 0.000 2.617 56 V HA -0.351 3.989 4.120 -0.065 -0.260 0.304 56 V C 0.894 176.967 176.094 -0.035 0.000 1.040 56 V CA 1.075 63.330 62.300 -0.074 0.000 1.149 56 V CB 1.234 32.989 31.823 -0.113 0.000 0.914 56 V HN 0.267 8.380 8.190 -0.129 0.000 0.487 57 E N 9.771 129.962 120.200 -0.014 0.000 2.110 57 E HA -0.324 4.034 4.350 0.014 0.000 0.193 57 E C 0.210 176.816 176.600 0.010 0.000 0.988 57 E CA 2.615 59.019 56.400 0.006 0.000 0.804 57 E CB 0.241 29.948 29.700 0.011 0.000 0.745 57 E HN 0.021 8.643 8.360 -0.017 -0.272 0.458 58 D N -4.685 115.720 120.400 0.008 0.000 2.339 58 D HA -0.024 4.630 4.640 0.023 0.000 0.217 58 D C 0.784 177.093 176.300 0.015 0.000 1.050 58 D CA -0.892 53.119 54.000 0.019 0.000 0.856 58 D CB -0.782 40.036 40.800 0.031 0.000 0.922 58 D HN -0.145 8.226 8.370 0.002 0.000 0.518 59 G N -0.515 108.279 108.800 -0.009 0.000 2.179 59 G HA2 -0.454 3.477 3.960 -0.049 0.000 0.257 59 G HA3 -0.454 3.508 3.960 0.004 0.000 0.257 59 G C -0.544 174.339 174.900 -0.028 0.000 1.010 59 G CA 0.897 45.984 45.100 -0.022 0.000 0.736 59 G HN -0.457 7.767 8.290 -0.021 0.053 0.513 60 K N -1.886 118.497 120.400 -0.030 0.000 2.340 60 K HA 0.349 4.718 4.320 0.081 0.000 0.244 60 K C -0.811 175.764 176.600 -0.042 0.000 0.973 60 K CA -2.198 54.107 56.287 0.030 0.000 0.828 60 K CB 2.710 35.268 32.500 0.096 0.000 1.226 60 K HN -0.787 7.647 8.250 -0.031 -0.202 0.437 61 Y N -0.135 120.206 120.300 0.067 0.000 2.153 61 Y HA -0.256 4.315 4.550 0.035 0.000 0.289 61 Y C -0.069 175.894 175.900 0.106 0.000 1.119 61 Y CA 3.293 61.432 58.100 0.065 0.000 1.116 61 Y CB 1.113 39.612 38.460 0.066 0.000 1.004 61 Y HN 0.476 8.988 8.280 0.386 0.000 0.501 62 G N -6.624 102.369 108.800 0.322 0.000 2.220 62 G HA2 -0.128 4.307 3.960 0.297 0.000 0.232 62 G HA3 -0.128 4.039 3.960 0.345 0.000 0.232 62 G C -3.077 172.074 174.900 0.419 0.000 1.680 62 G CA 0.024 45.328 45.100 0.340 0.000 0.922 62 G HN -0.524 7.970 8.290 0.340 0.000 0.723 63 A N 3.007 126.013 122.820 0.309 0.000 2.566 63 A HA 0.532 4.884 4.320 0.054 0.000 0.292 63 A C -2.358 174.983 177.584 -0.405 0.000 1.112 63 A CA -1.113 50.933 52.037 0.015 0.000 0.707 63 A CB 3.721 22.722 19.000 0.002 0.000 1.302 63 A HN 0.336 8.937 8.150 0.260 -0.295 0.409 64 Q N 0.426 119.638 119.800 -0.980 0.000 2.243 64 Q HA 0.073 3.927 4.340 -1.091 -0.169 0.252 64 Q C -1.007 174.711 176.000 -0.471 0.000 0.909 64 Q CA -1.079 54.086 55.803 -1.064 0.000 0.922 64 Q CB 2.070 29.947 28.738 -1.436 0.000 1.215 64 Q HN 0.282 7.985 8.270 -0.944 0.000 0.427 65 D N 5.427 125.638 120.400 -0.314 0.000 2.348 65 D HA -0.044 4.523 4.640 -0.122 0.000 0.253 65 D C 0.188 176.404 176.300 -0.140 0.000 1.161 65 D CA 0.099 54.005 54.000 -0.157 0.000 0.876 65 D CB 2.004 42.749 40.800 -0.091 0.000 1.160 65 D HN -0.014 8.164 8.370 -0.319 0.000 0.459 66 D N 5.350 125.694 120.400 -0.094 0.000 2.317 66 D HA -0.178 4.405 4.640 -0.094 0.000 0.211 66 D C 0.750 177.026 176.300 -0.040 0.000 0.966 66 D CA 2.045 56.003 54.000 -0.071 0.000 0.876 66 D CB -0.236 40.539 40.800 -0.041 0.000 0.927 66 D HN 0.096 8.423 8.370 -0.070 0.000 0.519 67 V N -0.152 119.744 119.914 -0.029 0.000 2.379 67 V HA -0.218 3.896 4.120 -0.010 0.000 0.243 67 V C 0.814 176.898 176.094 -0.017 0.000 1.035 67 V CA 2.024 64.315 62.300 -0.015 0.000 1.035 67 V CB 0.753 32.574 31.823 -0.005 0.000 0.673 67 V HN -0.116 8.282 8.190 -0.030 -0.226 0.457 68 N N -1.891 116.795 118.700 -0.023 0.000 2.205 68 N HA 0.030 4.765 4.740 -0.008 0.000 0.201 68 N C 0.837 176.335 175.510 -0.020 0.000 1.128 68 N CA -0.387 52.654 53.050 -0.015 0.000 0.867 68 N CB 0.834 39.318 38.487 -0.006 0.000 0.996 68 N HN -0.444 8.144 8.380 -0.031 -0.227 0.503 69 G N -0.423 108.346 108.800 -0.051 0.000 2.184 69 G HA2 -0.486 3.479 3.960 -0.104 0.000 0.264 69 G HA3 -0.486 3.459 3.960 -0.025 0.000 0.264 69 G C -0.524 174.333 174.900 -0.072 0.000 0.975 69 G CA 0.620 45.681 45.100 -0.065 0.000 0.642 69 G HN -0.188 8.062 8.290 -0.067 0.000 0.536 70 Q N -0.526 119.240 119.800 -0.057 0.000 2.259 70 Q HA 0.193 4.594 4.340 0.101 0.000 0.249 70 Q C -0.503 175.464 176.000 -0.054 0.000 0.914 70 Q CA -1.358 54.455 55.803 0.017 0.000 0.904 70 Q CB 1.004 29.767 28.738 0.042 0.000 1.213 70 Q HN -0.065 8.491 8.270 -0.055 -0.319 0.428 71 W N 0.984 122.294 121.300 0.015 0.000 2.253 71 W HA 0.416 5.298 4.660 0.025 -0.207 0.348 71 W C 0.091 176.622 176.519 0.021 0.000 1.229 71 W CA -0.517 56.840 57.345 0.020 0.000 1.335 71 W CB 2.037 31.505 29.460 0.013 0.000 1.165 71 W HN 0.310 8.749 8.180 0.431 0.000 0.631 72 N N -2.774 116.106 118.700 0.300 0.000 3.091 72 N HA 0.145 4.980 4.740 0.158 0.000 0.329 72 N C 0.076 175.698 175.510 0.187 0.000 1.430 72 N CA -1.826 51.336 53.050 0.186 0.000 0.755 72 N CB 1.876 40.434 38.487 0.117 0.000 1.626 72 N HN -0.234 8.355 8.380 0.348 0.000 0.614 73 G N -2.194 106.673 108.800 0.111 0.000 2.601 73 G HA2 -0.448 3.807 3.960 0.036 0.000 0.252 73 G HA3 -0.448 3.616 3.960 0.100 -0.044 0.252 73 G C 0.378 175.295 174.900 0.028 0.000 1.294 73 G CA 0.558 45.700 45.100 0.070 0.000 0.912 73 G HN -0.001 8.756 8.290 0.089 -0.413 0.574 74 M N 1.897 121.490 119.600 -0.011 0.000 2.159 74 M HA -0.410 4.027 4.480 -0.072 0.000 0.263 74 M C 2.373 178.637 176.300 -0.061 0.000 1.063 74 M CA 3.928 59.193 55.300 -0.058 0.000 1.110 74 M CB 0.229 32.774 32.600 -0.091 0.000 1.374 74 M HN -0.298 7.983 8.290 -0.015 0.000 0.411 75 V N -0.697 119.201 119.914 -0.026 0.000 2.287 75 V HA -0.582 3.410 4.120 -0.213 0.000 0.248 75 V C 1.537 177.552 176.094 -0.132 0.000 1.053 75 V CA 4.178 66.397 62.300 -0.135 0.000 1.027 75 V CB -0.401 31.332 31.823 -0.150 0.000 0.646 75 V HN -0.541 7.665 8.190 0.041 0.008 0.447 76 R N -1.314 119.194 120.500 0.013 0.000 2.092 76 R HA -0.329 4.023 4.340 0.020 0.000 0.231 76 R C 1.841 178.138 176.300 -0.006 0.000 1.119 76 R CA 2.614 58.738 56.100 0.040 0.000 0.970 76 R CB -0.824 29.555 30.300 0.131 0.000 0.864 76 R HN -0.705 7.616 8.270 0.086 0.000 0.440 77 E N -0.478 119.708 120.200 -0.024 0.000 2.085 77 E HA -0.319 4.020 4.350 -0.018 0.000 0.194 77 E C 2.589 179.150 176.600 -0.064 0.000 0.994 77 E CA 2.872 59.249 56.400 -0.039 0.000 0.801 77 E CB -0.603 29.063 29.700 -0.057 0.000 0.743 77 E HN -0.563 7.785 8.360 -0.021 0.000 0.453 78 L N -0.996 120.158 121.223 -0.114 0.000 2.056 78 L HA -0.212 4.023 4.340 -0.174 0.000 0.207 78 L C 3.190 180.000 176.870 -0.101 0.000 1.078 78 L CA 2.760 57.504 54.840 -0.160 0.000 0.749 78 L CB -0.018 41.901 42.059 -0.234 0.000 0.901 78 L HN -0.452 7.702 8.230 -0.126 0.000 0.433 79 I N -0.516 119.995 120.570 -0.098 0.000 2.208 79 I HA -0.449 3.691 4.170 -0.049 0.000 0.245 79 I C 1.587 177.750 176.117 0.078 0.000 1.097 79 I CA 3.620 64.894 61.300 -0.044 0.000 1.363 79 I CB -0.063 37.876 38.000 -0.102 0.000 1.051 79 I HN -0.168 7.962 8.210 -0.134 0.000 0.413 80 D N -3.841 116.594 120.400 0.059 0.000 2.340 80 D HA 0.095 4.760 4.640 0.042 0.000 0.220 80 D C -0.684 175.703 176.300 0.145 0.000 1.039 80 D CA 0.350 54.391 54.000 0.068 0.000 0.866 80 D CB -0.290 40.531 40.800 0.036 0.000 0.913 80 D HN -0.532 7.844 8.370 0.024 0.009 0.523 81 H N -4.894 114.141 119.070 -0.058 0.000 2.791 81 H HA -0.322 4.193 4.556 -0.068 0.000 0.302 81 H C 0.096 175.395 175.328 -0.048 0.000 1.198 81 H CA 1.030 57.044 56.048 -0.056 0.000 1.145 81 H CB -2.803 26.933 29.762 -0.043 0.000 1.385 81 H HN -0.209 8.020 8.280 0.215 0.179 0.409 82 K N -3.879 116.542 120.400 0.036 0.000 2.400 82 K HA -0.032 4.297 4.320 0.014 0.000 0.194 82 K C -1.482 175.095 176.600 -0.038 0.000 1.033 82 K CA 0.835 57.123 56.287 0.002 0.000 1.021 82 K CB 0.869 33.369 32.500 -0.000 0.000 0.808 82 K HN -0.200 8.039 8.250 0.026 0.026 0.505 83 A N -3.876 118.896 122.820 -0.079 0.000 2.539 83 A HA 0.191 4.448 4.320 -0.106 0.000 0.296 83 A C -2.148 175.325 177.584 -0.185 0.000 1.073 83 A CA -0.957 51.006 52.037 -0.123 0.000 0.700 83 A CB 2.625 21.546 19.000 -0.131 0.000 1.296 83 A HN -0.872 7.187 8.150 -0.087 0.039 0.405 84 D N -0.143 120.129 120.400 -0.214 0.000 2.240 84 D HA 0.078 4.546 4.640 -0.286 0.000 0.206 84 D C -0.378 175.729 176.300 -0.321 0.000 0.963 84 D CA 2.988 56.815 54.000 -0.288 0.000 0.863 84 D CB 2.143 42.739 40.800 -0.340 0.000 0.973 84 D HN 0.029 8.281 8.370 -0.198 0.000 0.501 85 L N -3.815 117.229 121.223 -0.299 0.000 2.434 85 L HA 0.666 5.041 4.340 -0.257 -0.190 0.260 85 L C -2.679 174.062 176.870 -0.216 0.000 0.983 85 L CA -1.405 53.271 54.840 -0.274 0.000 0.820 85 L CB 5.272 47.134 42.059 -0.328 0.000 1.361 85 L HN -0.716 7.351 8.230 -0.272 0.000 0.410 86 A N 1.159 123.871 122.820 -0.180 0.000 2.267 86 A HA 0.823 5.259 4.320 -0.158 -0.211 0.315 86 A C -1.404 176.124 177.584 -0.094 0.000 1.297 86 A CA -1.760 50.191 52.037 -0.143 0.000 0.865 86 A CB 1.766 20.689 19.000 -0.129 0.000 1.165 86 A HN 0.670 8.605 8.150 -0.177 0.109 0.513 87 V N 4.940 124.781 119.914 -0.123 0.000 2.304 87 V HA 0.344 4.447 4.120 -0.028 0.000 0.278 87 V C -2.021 174.012 176.094 -0.102 0.000 1.018 87 V CA -0.699 61.540 62.300 -0.101 0.000 0.814 87 V CB 0.428 32.144 31.823 -0.177 0.000 1.021 87 V HN -0.161 7.934 8.190 -0.159 0.000 0.440 88 A N 6.122 128.935 122.820 -0.013 0.000 2.515 88 A HA 0.364 4.626 4.320 -0.096 0.000 0.292 88 A C -2.890 174.640 177.584 -0.090 0.000 1.065 88 A CA -1.250 50.745 52.037 -0.069 0.000 0.641 88 A CB 1.692 20.624 19.000 -0.113 0.000 1.306 88 A HN 0.211 8.415 8.150 0.089 0.000 0.441 89 P HA 0.016 3.589 4.420 -1.411 0.000 0.237 89 P C -2.310 174.533 177.300 -0.762 0.000 1.788 89 P CA -0.173 62.207 63.100 -1.200 0.000 1.061 89 P CB -1.915 28.713 31.700 -1.786 0.000 1.967 90 L N 3.623 124.681 121.223 -0.274 0.000 2.262 90 L HA 0.125 4.555 4.340 0.149 0.000 0.288 90 L C -1.986 174.984 176.870 0.167 0.000 1.035 90 L CA -1.458 53.438 54.840 0.094 0.000 0.820 90 L CB 1.856 44.053 42.059 0.230 0.000 1.204 90 L HN -0.374 7.712 8.230 -0.175 0.039 0.424 91 A N 6.899 129.814 122.820 0.158 0.000 2.440 91 A HA 0.231 4.784 4.320 0.112 -0.167 0.251 91 A C -0.117 177.338 177.584 -0.214 0.000 1.089 91 A CA -1.011 51.060 52.037 0.055 0.000 0.779 91 A CB 0.560 19.571 19.000 0.019 0.000 1.022 91 A HN 0.392 8.619 8.150 0.128 0.000 0.492 92 I N 4.559 124.813 120.570 -0.527 0.000 2.363 92 I HA -0.060 3.000 4.170 -1.849 0.000 0.292 92 I C -0.679 175.184 176.117 -0.423 0.000 1.075 92 I CA 0.851 61.560 61.300 -0.985 0.000 1.333 92 I CB -0.626 36.873 38.000 -0.834 0.000 1.415 92 I HN -0.001 7.960 8.210 -0.415 0.000 0.502 93 T N 4.685 119.093 114.554 -0.243 0.000 2.906 93 T HA 0.356 4.690 4.350 -0.026 0.000 0.295 93 T C 0.363 175.115 174.700 0.085 0.000 1.075 93 T CA -2.890 59.201 62.100 -0.015 0.000 1.005 93 T CB 2.804 71.718 68.868 0.077 0.000 1.136 93 T HN -0.335 7.758 8.240 -0.246 0.000 0.498 94 Y N 4.028 124.336 120.300 0.014 0.000 2.081 94 Y HA -0.445 4.121 4.550 0.028 0.000 0.280 94 Y C 0.803 176.758 175.900 0.091 0.000 1.163 94 Y CA 3.521 61.644 58.100 0.039 0.000 1.135 94 Y CB -0.647 37.827 38.460 0.023 0.000 0.970 94 Y HN 0.391 8.832 8.280 0.268 0.000 0.498 95 V N -6.171 113.815 119.914 0.119 0.000 2.515 95 V HA -0.355 3.693 4.120 -0.120 0.000 0.250 95 V C 1.516 177.701 176.094 0.150 0.000 1.058 95 V CA 2.575 64.936 62.300 0.101 0.000 1.064 95 V CB -0.493 31.510 31.823 0.300 0.000 0.675 95 V HN -0.418 7.938 8.190 0.277 0.000 0.461 96 R N -0.601 119.999 120.500 0.166 0.000 2.093 96 R HA -0.181 4.036 4.340 -0.206 0.000 0.224 96 R C 1.803 178.126 176.300 0.039 0.000 1.101 96 R CA 3.158 59.287 56.100 0.049 0.000 0.979 96 R CB 0.086 30.541 30.300 0.258 0.000 0.877 96 R HN -0.782 7.606 8.270 0.197 0.000 0.441 97 E N -1.556 118.720 120.200 0.126 0.000 2.338 97 E HA -0.185 4.432 4.350 0.213 -0.139 0.197 97 E C 0.780 177.354 176.600 -0.042 0.000 1.007 97 E CA 1.630 58.098 56.400 0.113 0.000 0.849 97 E CB -0.338 29.422 29.700 0.100 0.000 0.774 97 E HN -0.388 8.037 8.360 0.109 0.000 0.506 98 K N -2.971 117.357 120.400 -0.121 0.000 2.366 98 K HA -0.188 4.063 4.320 -0.114 0.000 0.198 98 K C 1.097 177.629 176.600 -0.113 0.000 1.044 98 K CA 2.022 58.232 56.287 -0.128 0.000 0.973 98 K CB 0.300 32.698 32.500 -0.171 0.000 0.767 98 K HN -0.477 7.659 8.250 -0.141 0.029 0.475 99 V N -7.877 111.927 119.914 -0.184 0.000 3.572 99 V HA 0.198 4.214 4.120 -0.173 0.000 0.260 99 V C -0.983 174.935 176.094 -0.293 0.000 1.324 99 V CA 0.042 62.186 62.300 -0.260 0.000 1.068 99 V CB 2.439 33.988 31.823 -0.456 0.000 0.837 99 V HN -0.463 7.455 8.190 -0.209 0.147 0.450 100 I N -5.514 114.867 120.570 -0.315 0.000 3.145 100 I HA 0.328 4.328 4.170 -0.282 0.000 0.313 100 I C -2.427 173.518 176.117 -0.287 0.000 1.122 100 I CA -2.233 58.860 61.300 -0.345 0.000 0.987 100 I CB 3.123 40.819 38.000 -0.507 0.000 1.236 100 I HN -0.408 7.623 8.210 -0.299 0.000 0.453 101 D N -0.769 119.452 120.400 -0.300 0.000 2.228 101 D HA 0.671 5.435 4.640 -0.067 -0.165 0.247 101 D C -0.888 175.233 176.300 -0.298 0.000 0.995 101 D CA -1.670 52.229 54.000 -0.169 0.000 0.903 101 D CB 3.918 44.666 40.800 -0.087 0.000 1.205 101 D HN -0.115 8.067 8.370 -0.314 0.000 0.459 102 F N -1.366 118.564 119.950 -0.032 0.000 2.576 102 F HA 0.624 5.350 4.527 -0.007 -0.203 0.313 102 F C 0.353 176.160 175.800 0.013 0.000 1.078 102 F CA -1.487 56.507 58.000 -0.009 0.000 0.921 102 F CB 4.599 43.592 39.000 -0.011 0.000 1.232 102 F HN -0.455 8.162 8.300 0.275 -0.151 0.459 103 S N 2.170 118.019 115.700 0.248 0.000 2.580 103 S HA 0.072 4.628 4.470 0.142 0.000 0.266 103 S C 0.667 175.363 174.600 0.160 0.000 1.354 103 S CA -0.420 57.889 58.200 0.183 0.000 1.008 103 S CB 1.001 64.318 63.200 0.196 0.000 0.898 103 S HN 0.453 8.912 8.310 0.249 0.000 0.555 104 K N 0.720 121.187 120.400 0.112 0.000 2.336 104 K HA -0.023 4.318 4.320 0.036 0.000 0.262 104 K C -1.314 175.329 176.600 0.072 0.000 0.992 104 K CA -0.327 56.000 56.287 0.066 0.000 0.927 104 K CB -0.972 31.560 32.500 0.054 0.000 0.956 104 K HN -0.143 8.171 8.250 0.106 0.000 0.495 105 P HA 0.068 4.615 4.420 -0.145 -0.214 0.271 105 P C -0.750 176.573 177.300 0.037 0.000 1.216 105 P CA -0.321 62.731 63.100 -0.080 0.000 0.776 105 P CB 0.441 32.045 31.700 -0.161 0.000 0.881 106 F N -2.354 117.664 119.950 0.113 0.000 2.746 106 F HA 0.299 4.901 4.527 0.126 0.000 0.297 106 F C -0.807 175.079 175.800 0.144 0.000 1.113 106 F CA -1.062 57.029 58.000 0.153 0.000 1.367 106 F CB 1.156 40.290 39.000 0.224 0.000 1.111 106 F HN -0.119 7.937 8.300 -0.406 0.000 0.590 107 M N -1.828 117.700 119.600 -0.121 0.000 2.471 107 M HA 0.275 4.736 4.480 -0.032 0.000 0.284 107 M C -2.570 173.545 176.300 -0.309 0.000 1.203 107 M CA 0.289 55.516 55.300 -0.121 0.000 0.915 107 M CB 3.522 36.113 32.600 -0.016 0.000 1.734 107 M HN -0.850 7.211 8.290 -0.381 0.000 0.485 108 T N 4.437 118.833 114.554 -0.264 0.000 2.885 108 T HA 0.887 5.166 4.350 -0.359 -0.145 0.285 108 T C -1.164 173.344 174.700 -0.321 0.000 1.019 108 T CA -0.772 61.150 62.100 -0.297 0.000 1.010 108 T CB 1.149 69.903 68.868 -0.190 0.000 1.022 108 T HN -0.054 8.066 8.240 -0.200 0.000 0.466 109 L N -1.871 119.142 121.223 -0.349 0.000 2.963 109 L HA 0.660 4.856 4.340 -0.241 0.000 0.273 109 L C -2.564 174.141 176.870 -0.274 0.000 1.078 109 L CA -0.999 53.653 54.840 -0.315 0.000 0.970 109 L CB 2.634 44.424 42.059 -0.449 0.000 1.564 109 L HN 0.437 8.459 8.230 -0.347 0.000 0.381 110 G N -4.052 104.609 108.800 -0.232 0.000 2.660 110 G HA2 0.682 4.552 3.960 -0.284 0.000 0.290 110 G HA3 0.682 4.663 3.960 -0.230 -0.159 0.290 110 G C -2.312 172.450 174.900 -0.229 0.000 1.432 110 G CA -0.575 44.377 45.100 -0.247 0.000 0.807 110 G HN -0.324 7.849 8.290 -0.196 0.000 0.485 111 I N -0.538 119.851 120.570 -0.302 0.000 2.588 111 I HA -0.012 4.163 4.170 -0.202 -0.127 0.283 111 I C -1.234 174.767 176.117 -0.193 0.000 1.119 111 I CA 1.852 62.993 61.300 -0.264 0.000 1.419 111 I CB 0.229 37.992 38.000 -0.395 0.000 1.394 111 I HN 0.279 8.619 8.210 -0.386 -0.362 0.562 112 S N 3.809 119.438 115.700 -0.119 0.000 2.880 112 S HA 0.547 4.968 4.470 -0.081 0.000 0.308 112 S C -1.959 172.610 174.600 -0.052 0.000 1.195 112 S CA -2.439 55.718 58.200 -0.073 0.000 0.866 112 S CB 2.903 66.077 63.200 -0.043 0.000 1.254 112 S HN 0.441 8.686 8.310 -0.107 0.000 0.571 113 I N -0.057 120.502 120.570 -0.019 0.000 2.465 113 I HA 0.362 4.672 4.170 -0.033 -0.160 0.291 113 I C -1.863 174.296 176.117 0.070 0.000 1.014 113 I CA -0.853 60.443 61.300 -0.008 0.000 1.093 113 I CB 3.124 41.098 38.000 -0.043 0.000 1.267 113 I HN -0.055 8.151 8.210 -0.006 0.000 0.431 114 L N 7.975 129.279 121.223 0.135 0.000 2.282 114 L HA 0.655 5.263 4.340 0.191 -0.153 0.288 114 L C -2.496 174.558 176.870 0.307 0.000 1.033 114 L CA -1.407 53.566 54.840 0.222 0.000 0.807 114 L CB 2.493 44.731 42.059 0.299 0.000 1.209 114 L HN 0.484 8.791 8.230 0.129 0.000 0.423 115 Y N 6.691 127.049 120.300 0.097 0.000 2.705 115 Y HA 0.384 4.999 4.550 0.109 0.000 0.332 115 Y C -2.008 173.938 175.900 0.076 0.000 1.221 115 Y CA -1.968 56.184 58.100 0.086 0.000 1.059 115 Y CB 3.865 42.356 38.460 0.052 0.000 1.298 115 Y HN 0.445 8.888 8.280 0.271 0.000 0.459 116 R N 1.075 121.295 120.500 -0.466 0.000 2.594 116 R HA 0.065 4.435 4.340 -0.182 -0.139 0.272 116 R C 0.216 176.339 176.300 -0.295 0.000 1.074 116 R CA 0.312 56.183 56.100 -0.382 0.000 1.105 116 R CB 0.742 30.776 30.300 -0.443 0.000 1.008 116 R HN 0.433 8.112 8.270 -0.986 0.000 0.472 117 K N 1.779 122.098 120.400 -0.135 0.000 2.276 117 K HA -0.203 4.097 4.320 -0.035 0.000 0.259 117 K C 0.408 176.960 176.600 -0.080 0.000 1.001 117 K CA 0.891 57.137 56.287 -0.068 0.000 0.927 117 K CB 0.220 32.700 32.500 -0.034 0.000 0.969 117 K HN -0.110 8.077 8.250 -0.106 0.000 0.490 118 G N 1.335 110.118 108.800 -0.028 0.000 2.643 118 G HA2 -0.284 3.677 3.960 0.002 0.000 0.280 118 G HA3 -0.284 3.662 3.960 -0.023 0.000 0.280 118 G C -1.562 173.342 174.900 0.006 0.000 1.120 118 G CA 0.102 45.194 45.100 -0.013 0.000 1.165 118 G HN 0.445 8.731 8.290 -0.007 0.000 0.540 119 T N 1.084 115.667 114.554 0.047 0.000 2.889 119 T HA 0.275 4.680 4.350 0.091 0.000 0.315 119 T C -1.976 172.775 174.700 0.086 0.000 1.291 119 T CA -3.325 58.835 62.100 0.100 0.000 1.028 119 T CB 1.144 70.153 68.868 0.235 0.000 1.235 119 T HN -0.411 7.858 8.240 0.048 0.000 0.491 120 P HA 0.221 4.666 4.420 0.042 0.000 0.251 120 P C -0.620 176.706 177.300 0.044 0.000 1.223 120 P CA 0.023 63.152 63.100 0.049 0.000 0.796 120 P CB 0.556 32.278 31.700 0.036 0.000 1.068 121 I N 1.594 122.201 120.570 0.062 0.000 2.662 121 I HA -0.376 3.788 4.170 -0.010 0.000 0.285 121 I C -0.727 175.402 176.117 0.020 0.000 1.161 121 I CA -0.052 61.258 61.300 0.016 0.000 1.415 121 I CB -1.609 36.374 38.000 -0.027 0.000 1.385 121 I HN -0.545 7.683 8.210 0.100 0.042 0.552 122 D N 5.142 125.540 120.400 -0.003 0.000 2.469 122 D HA 0.128 4.778 4.640 0.017 0.000 0.213 122 D C -1.235 175.060 176.300 -0.008 0.000 1.135 122 D CA -0.114 53.888 54.000 0.004 0.000 0.834 122 D CB 2.468 43.272 40.800 0.005 0.000 1.009 122 D HN 0.047 8.701 8.370 -0.017 -0.294 0.507 123 S N -5.385 110.297 115.700 -0.030 0.000 2.615 123 S HA 0.201 4.664 4.470 -0.013 0.000 0.268 123 S C -0.174 174.394 174.600 -0.054 0.000 1.146 123 S CA -1.785 56.401 58.200 -0.025 0.000 0.818 123 S CB 2.398 65.591 63.200 -0.012 0.000 1.111 123 S HN -0.783 7.499 8.310 -0.047 0.000 0.465 124 A N 1.571 124.386 122.820 -0.009 0.000 1.940 124 A HA -0.359 3.897 4.320 -0.107 0.000 0.219 124 A C 1.262 178.816 177.584 -0.051 0.000 1.176 124 A CA 3.073 55.105 52.037 -0.009 0.000 0.631 124 A CB -0.311 18.816 19.000 0.212 0.000 0.814 124 A HN 0.659 8.828 8.150 0.031 0.000 0.446 125 D N -2.459 117.924 120.400 -0.028 0.000 2.123 125 D HA -0.327 4.275 4.640 -0.063 0.000 0.196 125 D C 1.730 177.983 176.300 -0.078 0.000 0.992 125 D CA 3.498 57.463 54.000 -0.058 0.000 0.833 125 D CB -0.020 40.749 40.800 -0.052 0.000 0.954 125 D HN -0.093 8.274 8.370 -0.005 0.000 0.455 126 D N -1.397 118.955 120.400 -0.080 0.000 2.117 126 D HA -0.197 4.403 4.640 -0.066 0.000 0.197 126 D C 1.792 178.012 176.300 -0.133 0.000 0.987 126 D CA 2.370 56.320 54.000 -0.085 0.000 0.829 126 D CB 0.014 40.773 40.800 -0.069 0.000 0.961 126 D HN -0.548 7.780 8.370 -0.069 0.000 0.460 127 L N -1.178 119.915 121.223 -0.216 0.000 2.093 127 L HA -0.307 3.869 4.340 -0.274 0.000 0.208 127 L C 1.892 178.568 176.870 -0.323 0.000 1.085 127 L CA 2.391 57.028 54.840 -0.339 0.000 0.755 127 L CB -0.021 41.655 42.059 -0.638 0.000 0.904 127 L HN -0.661 7.439 8.230 -0.217 0.000 0.435 128 A N -1.339 121.319 122.820 -0.269 0.000 1.969 128 A HA -0.206 4.013 4.320 -0.168 0.000 0.218 128 A C 1.319 178.868 177.584 -0.058 0.000 1.169 128 A CA 2.336 54.283 52.037 -0.149 0.000 0.635 128 A CB -0.250 18.709 19.000 -0.069 0.000 0.810 128 A HN -0.104 7.907 8.150 -0.233 0.000 0.445 129 K N -4.604 115.758 120.400 -0.065 0.000 2.525 129 K HA -0.177 4.133 4.320 -0.016 0.000 0.192 129 K C -0.143 176.443 176.600 -0.024 0.000 1.029 129 K CA 0.441 56.709 56.287 -0.032 0.000 1.029 129 K CB -0.028 32.452 32.500 -0.034 0.000 0.814 129 K HN -0.567 7.611 8.250 -0.085 0.022 0.503 130 Q N -2.796 116.980 119.800 -0.040 0.000 2.544 130 Q HA 0.230 4.565 4.340 -0.008 0.000 0.291 130 Q C -1.887 174.084 176.000 -0.050 0.000 1.068 130 Q CA -0.672 55.114 55.803 -0.028 0.000 0.785 130 Q CB 1.524 30.244 28.738 -0.031 0.000 1.481 130 Q HN -0.602 7.563 8.270 -0.060 0.068 0.430 131 T N -8.595 105.951 114.554 -0.013 0.000 3.087 131 T HA 0.227 4.488 4.350 -0.149 0.000 0.283 131 T C 0.509 175.245 174.700 0.060 0.000 0.956 131 T CA -0.780 61.324 62.100 0.007 0.000 0.894 131 T CB 1.334 70.301 68.868 0.164 0.000 1.160 131 T HN -0.107 8.140 8.240 0.012 0.000 0.532 132 K N 2.468 122.894 120.400 0.043 0.000 2.057 132 K HA -0.172 4.194 4.320 0.077 0.000 0.206 132 K C 0.280 176.928 176.600 0.080 0.000 1.050 132 K CA 2.067 58.392 56.287 0.064 0.000 0.935 132 K CB 0.226 32.758 32.500 0.054 0.000 0.715 132 K HN -0.395 7.935 8.250 0.027 -0.064 0.439 133 I N 0.546 121.144 120.570 0.048 0.000 2.312 133 I HA -0.079 4.298 4.170 0.120 -0.135 0.291 133 I C -0.681 175.454 176.117 0.032 0.000 1.031 133 I CA -0.210 61.125 61.300 0.058 0.000 1.293 133 I CB 0.082 38.063 38.000 -0.032 0.000 1.403 133 I HN -0.364 8.220 8.210 0.017 -0.363 0.484 134 E N 7.112 127.384 120.200 0.120 0.000 2.345 134 E HA 0.035 4.366 4.350 -0.031 0.000 0.259 134 E C -1.542 175.039 176.600 -0.031 0.000 1.117 134 E CA -0.570 55.900 56.400 0.117 0.000 0.913 134 E CB 2.059 31.974 29.700 0.358 0.000 1.057 134 E HN -0.127 8.346 8.360 0.189 0.000 0.432 135 Y N -5.855 114.403 120.300 -0.070 0.000 2.609 135 Y HA 1.044 5.281 4.550 -0.880 -0.215 0.336 135 Y C -1.526 174.309 175.900 -0.107 0.000 1.129 135 Y CA -2.138 55.719 58.100 -0.405 0.000 1.040 135 Y CB 3.470 41.693 38.460 -0.395 0.000 1.310 135 Y HN -0.015 8.097 8.280 -0.280 0.000 0.460 136 G N -3.023 105.790 108.800 0.021 0.000 2.494 136 G HA2 0.464 4.536 3.960 0.187 0.000 0.308 136 G HA3 0.464 4.907 3.960 0.404 -0.240 0.308 136 G C -3.404 171.639 174.900 0.238 0.000 1.263 136 G CA 0.163 45.411 45.100 0.247 0.000 0.840 136 G HN -0.373 7.846 8.290 -0.117 0.000 0.479 137 A N -3.341 119.682 122.820 0.338 0.000 2.564 137 A HA 0.684 4.995 4.320 -0.231 -0.130 0.291 137 A C -2.039 175.776 177.584 0.385 0.000 1.102 137 A CA -1.019 51.102 52.037 0.139 0.000 0.660 137 A CB 3.140 22.178 19.000 0.064 0.000 1.283 137 A HN -0.484 7.914 8.150 0.412 0.000 0.430 138 V N 0.042 120.132 119.914 0.293 0.000 2.529 138 V HA -0.113 4.403 4.120 0.370 -0.175 0.292 138 V C -0.011 176.225 176.094 0.238 0.000 1.028 138 V CA 0.531 63.016 62.300 0.308 0.000 1.074 138 V CB 0.272 32.244 31.823 0.249 0.000 0.958 138 V HN 0.558 8.832 8.190 0.140 0.000 0.481 139 E N 8.847 129.187 120.200 0.232 0.000 2.414 139 E HA -0.422 4.059 4.350 0.217 0.000 0.263 139 E C -0.290 176.425 176.600 0.191 0.000 1.000 139 E CA 1.627 58.149 56.400 0.203 0.000 0.914 139 E CB 0.548 30.351 29.700 0.171 0.000 0.948 139 E HN 0.050 8.550 8.360 0.233 0.000 0.444 140 D N 1.439 121.942 120.400 0.172 0.000 2.981 140 D HA -0.301 4.414 4.640 0.126 0.000 0.223 140 D C -1.091 175.324 176.300 0.191 0.000 1.151 140 D CA 1.894 55.988 54.000 0.156 0.000 0.827 140 D CB -1.106 39.780 40.800 0.144 0.000 1.101 140 D HN -0.077 8.396 8.370 0.172 0.000 0.426 141 G N -4.057 104.841 108.800 0.163 0.000 2.820 141 G HA2 0.348 4.406 3.960 0.162 0.000 0.291 141 G HA3 0.348 4.330 3.960 0.036 0.000 0.291 141 G C -1.107 173.843 174.900 0.083 0.000 1.323 141 G CA -1.503 43.664 45.100 0.111 0.000 1.055 141 G HN -0.952 7.389 8.290 0.154 0.042 0.520 142 A N -1.352 121.488 122.820 0.034 0.000 1.930 142 A HA -0.279 4.095 4.320 0.090 0.000 0.217 142 A C 2.208 179.828 177.584 0.061 0.000 1.175 142 A CA 3.315 55.383 52.037 0.052 0.000 0.627 142 A CB -0.584 18.426 19.000 0.017 0.000 0.815 142 A HN 0.583 8.714 8.150 -0.031 0.000 0.443 143 T N 1.842 116.421 114.554 0.041 0.000 2.737 143 T HA -0.424 3.976 4.350 0.084 0.000 0.265 143 T C 1.574 176.456 174.700 0.303 0.000 1.038 143 T CA 4.900 67.072 62.100 0.119 0.000 1.144 143 T CB -0.286 68.609 68.868 0.044 0.000 0.866 143 T HN -0.176 8.063 8.240 -0.002 0.000 0.434 144 M N 2.203 121.935 119.600 0.221 0.000 2.080 144 M HA -0.377 4.318 4.480 0.359 0.000 0.260 144 M C 1.433 177.764 176.300 0.052 0.000 1.068 144 M CA 3.655 59.096 55.300 0.235 0.000 1.109 144 M CB -0.581 32.145 32.600 0.210 0.000 1.342 144 M HN 0.035 8.420 8.290 0.160 0.000 0.405 145 T N 1.375 115.938 114.554 0.016 0.000 2.867 145 T HA -0.437 3.785 4.350 -0.212 0.000 0.268 145 T C 1.477 176.115 174.700 -0.104 0.000 1.057 145 T CA 4.677 66.723 62.100 -0.089 0.000 1.136 145 T CB -0.245 68.624 68.868 0.001 0.000 0.874 145 T HN -0.427 7.851 8.240 0.065 0.000 0.466 146 F N 3.228 123.088 119.950 -0.150 0.000 2.095 146 F HA -0.493 3.895 4.527 -0.231 0.000 0.298 146 F C 0.898 176.484 175.800 -0.357 0.000 1.104 146 F CA 3.935 61.773 58.000 -0.269 0.000 1.232 146 F CB 0.061 38.838 39.000 -0.372 0.000 0.987 146 F HN -0.389 8.021 8.300 0.183 0.000 0.475 147 F N -3.031 116.835 119.950 -0.140 0.000 2.134 147 F HA -0.460 3.952 4.527 -0.191 0.000 0.299 147 F C 2.707 178.223 175.800 -0.474 0.000 1.097 147 F CA 3.819 61.726 58.000 -0.154 0.000 1.264 147 F CB -0.237 38.905 39.000 0.237 0.000 1.001 147 F HN -0.605 7.844 8.300 0.247 0.000 0.479 148 K N -1.429 118.475 120.400 -0.825 0.000 2.152 148 K HA -0.340 2.437 4.320 -2.572 0.000 0.206 148 K C 1.252 177.444 176.600 -0.680 0.000 1.048 148 K CA 2.602 58.004 56.287 -1.474 0.000 0.933 148 K CB -0.158 31.497 32.500 -1.409 0.000 0.721 148 K HN -0.244 7.590 8.250 -0.694 0.000 0.447 149 K N -5.245 114.875 120.400 -0.466 0.000 2.379 149 K HA 0.098 4.265 4.320 -0.254 0.000 0.194 149 K C -0.357 176.055 176.600 -0.313 0.000 1.031 149 K CA -0.974 55.124 56.287 -0.315 0.000 1.037 149 K CB 0.194 32.551 32.500 -0.239 0.000 0.824 149 K HN -0.445 7.500 8.250 -0.475 0.020 0.516 150 S N 0.319 115.773 115.700 -0.409 0.000 2.564 150 S HA -0.058 4.157 4.470 -0.424 0.000 0.278 150 S C 0.011 174.510 174.600 -0.169 0.000 1.333 150 S CA 0.057 58.025 58.200 -0.387 0.000 1.048 150 S CB 0.890 63.772 63.200 -0.529 0.000 0.900 150 S HN -0.811 7.118 8.310 -0.453 0.109 0.505 151 K N 3.712 124.030 120.400 -0.137 0.000 2.367 151 K HA 0.074 4.363 4.320 -0.053 0.000 0.194 151 K C 0.111 176.675 176.600 -0.060 0.000 1.027 151 K CA -0.562 55.680 56.287 -0.075 0.000 1.075 151 K CB 0.424 32.879 32.500 -0.076 0.000 0.845 151 K HN 0.148 8.301 8.250 -0.162 0.000 0.529 152 I N 1.841 122.369 120.570 -0.069 0.000 2.556 152 I HA -0.173 3.937 4.170 -0.101 0.000 0.284 152 I C 0.975 177.019 176.117 -0.122 0.000 1.114 152 I CA 0.571 61.807 61.300 -0.106 0.000 1.418 152 I CB 0.466 38.393 38.000 -0.122 0.000 1.394 152 I HN -0.749 7.373 8.210 -0.073 0.044 0.552 153 S N 7.575 123.202 115.700 -0.122 0.000 2.368 153 S HA -0.384 4.067 4.470 -0.033 0.000 0.226 153 S C 1.906 176.458 174.600 -0.080 0.000 1.044 153 S CA 4.092 62.246 58.200 -0.077 0.000 1.062 153 S CB -0.707 62.448 63.200 -0.075 0.000 0.931 153 S HN 0.656 8.892 8.310 -0.123 0.000 0.440 154 T N 1.993 116.419 114.554 -0.214 0.000 2.684 154 T HA -0.330 3.971 4.350 -0.082 0.000 0.267 154 T C 1.532 176.254 174.700 0.036 0.000 1.036 154 T CA 4.781 66.772 62.100 -0.182 0.000 1.148 154 T CB -0.230 68.407 68.868 -0.384 0.000 0.863 154 T HN 0.037 8.093 8.240 -0.306 0.000 0.436 155 Y N -0.671 119.715 120.300 0.143 0.000 2.263 155 Y HA -0.139 4.700 4.550 0.483 0.000 0.292 155 Y C 1.990 178.076 175.900 0.309 0.000 1.130 155 Y CA 0.156 58.420 58.100 0.274 0.000 1.179 155 Y CB -1.242 37.226 38.460 0.013 0.000 0.998 155 Y HN -0.758 7.298 8.280 -0.373 0.000 0.532 156 D N -0.093 120.478 120.400 0.285 0.000 2.144 156 D HA -0.309 4.534 4.640 0.338 0.000 0.199 156 D C 1.949 178.427 176.300 0.298 0.000 0.984 156 D CA 3.153 57.316 54.000 0.273 0.000 0.834 156 D CB -0.059 40.824 40.800 0.139 0.000 0.955 156 D HN -0.053 8.421 8.370 0.173 0.000 0.465 157 K N -0.723 119.810 120.400 0.222 0.000 2.032 157 K HA -0.342 4.079 4.320 0.169 0.000 0.209 157 K C 2.410 179.179 176.600 0.281 0.000 1.048 157 K CA 3.269 59.673 56.287 0.196 0.000 0.927 157 K CB -0.062 32.512 32.500 0.124 0.000 0.712 157 K HN -0.470 7.885 8.250 0.175 0.000 0.441 158 M N -0.967 118.846 119.600 0.355 0.000 2.117 158 M HA -0.328 4.449 4.480 0.495 0.000 0.262 158 M C 2.135 178.710 176.300 0.459 0.000 1.065 158 M CA 3.661 59.224 55.300 0.438 0.000 1.114 158 M CB 0.277 33.073 32.600 0.327 0.000 1.361 158 M HN -0.429 8.079 8.290 0.362 0.000 0.408 159 W N -0.135 121.355 121.300 0.317 0.000 2.358 159 W HA -0.505 4.286 4.660 0.218 0.000 0.303 159 W C 1.064 177.688 176.519 0.175 0.000 1.208 159 W CA 3.107 60.597 57.345 0.242 0.000 1.274 159 W CB 0.446 30.047 29.460 0.236 0.000 1.138 159 W HN 0.046 8.640 8.180 0.689 0.000 0.515 160 A N -1.577 121.242 122.820 -0.003 0.000 1.908 160 A HA -0.418 3.731 4.320 -0.286 0.000 0.218 160 A C 1.719 179.198 177.584 -0.176 0.000 1.181 160 A CA 3.090 55.044 52.037 -0.140 0.000 0.627 160 A CB -1.280 17.740 19.000 0.034 0.000 0.818 160 A HN -0.237 8.036 8.150 0.204 0.000 0.445 161 F N -0.511 119.339 119.950 -0.167 0.000 2.084 161 F HA -0.383 4.027 4.527 -0.196 0.000 0.296 161 F C 1.465 177.060 175.800 -0.341 0.000 1.111 161 F CA 3.737 61.606 58.000 -0.219 0.000 1.224 161 F CB 0.424 39.314 39.000 -0.183 0.000 0.991 161 F HN -0.737 7.696 8.300 0.222 0.000 0.471 162 M N -0.805 118.699 119.600 -0.161 0.000 2.159 162 M HA -0.576 3.765 4.480 -0.232 0.000 0.263 162 M C 1.935 177.901 176.300 -0.557 0.000 1.063 162 M CA 3.901 59.025 55.300 -0.294 0.000 1.110 162 M CB 0.048 32.578 32.600 -0.117 0.000 1.374 162 M HN -0.157 8.144 8.290 0.017 0.000 0.411 163 S N -1.622 113.523 115.700 -0.925 0.000 2.356 163 S HA -0.384 3.627 4.470 -0.764 0.000 0.223 163 S C 2.089 176.411 174.600 -0.462 0.000 1.032 163 S CA 2.856 60.550 58.200 -0.844 0.000 1.005 163 S CB 0.127 62.671 63.200 -1.095 0.000 0.867 163 S HN 0.053 7.702 8.310 -1.101 0.000 0.449 164 S N 1.485 116.921 115.700 -0.441 0.000 2.359 164 S HA -0.295 4.016 4.470 -0.266 0.000 0.224 164 S C 2.225 176.617 174.600 -0.347 0.000 1.035 164 S CA 2.853 60.846 58.200 -0.345 0.000 1.018 164 S CB 0.037 63.026 63.200 -0.352 0.000 0.876 164 S HN -0.529 7.495 8.310 -0.477 0.000 0.448 165 R N -1.300 118.918 120.500 -0.469 0.000 2.480 165 R HA 0.116 4.264 4.340 -0.321 0.000 0.277 165 R C 0.973 177.123 176.300 -0.250 0.000 1.008 165 R CA -0.873 54.985 56.100 -0.404 0.000 1.090 165 R CB -0.569 29.348 30.300 -0.637 0.000 1.234 165 R HN -0.520 7.400 8.270 -0.583 0.000 0.549 166 R N -0.459 119.914 120.500 -0.212 0.000 2.120 166 R HA -0.294 4.028 4.340 -0.096 -0.040 0.234 166 R C 1.713 177.983 176.300 -0.050 0.000 1.123 166 R CA 3.165 59.197 56.100 -0.114 0.000 0.975 166 R CB -0.674 29.568 30.300 -0.097 0.000 0.866 166 R HN -0.841 7.223 8.270 -0.235 0.065 0.446 167 Q N -1.935 117.827 119.800 -0.063 0.000 2.291 167 Q HA -0.190 4.141 4.340 -0.016 0.000 0.205 167 Q C 1.100 177.081 176.000 -0.033 0.000 0.970 167 Q CA 1.879 57.660 55.803 -0.036 0.000 0.876 167 Q CB -0.947 27.767 28.738 -0.041 0.000 0.935 167 Q HN 0.328 8.546 8.270 -0.086 0.000 0.455 168 S N -2.583 113.087 115.700 -0.049 0.000 2.468 168 S HA -0.031 4.412 4.470 -0.045 0.000 0.226 168 S C 1.875 176.470 174.600 -0.009 0.000 1.051 168 S CA 1.381 59.555 58.200 -0.042 0.000 0.943 168 S CB 0.586 63.753 63.200 -0.054 0.000 0.810 168 S HN -0.379 7.865 8.310 -0.071 0.023 0.509 169 V N -4.321 115.617 119.914 0.039 0.000 3.565 169 V HA 0.234 4.501 4.120 0.245 0.000 0.260 169 V C -1.628 174.620 176.094 0.258 0.000 1.231 169 V CA -0.060 62.363 62.300 0.205 0.000 1.100 169 V CB 1.091 33.058 31.823 0.241 0.000 0.807 169 V HN -0.429 7.759 8.190 -0.003 0.000 0.454 170 L N 0.622 121.940 121.223 0.158 0.000 2.292 170 L HA 0.361 5.062 4.340 0.285 -0.190 0.284 170 L C 0.033 177.005 176.870 0.169 0.000 1.065 170 L CA -0.327 54.636 54.840 0.205 0.000 0.806 170 L CB 0.567 42.730 42.059 0.174 0.000 1.175 170 L HN -0.733 7.553 8.230 0.093 0.000 0.431 171 V N -4.945 115.101 119.914 0.220 0.000 3.103 171 V HA 0.593 4.765 4.120 0.086 0.000 0.318 171 V C -0.176 176.015 176.094 0.162 0.000 1.114 171 V CA -3.212 59.173 62.300 0.142 0.000 1.020 171 V CB 3.407 35.283 31.823 0.089 0.000 1.085 171 V HN 0.236 8.608 8.190 0.303 0.000 0.446 172 K N -2.028 118.442 120.400 0.116 0.000 2.393 172 K HA 0.102 4.510 4.320 0.146 0.000 0.193 172 K C -0.700 175.997 176.600 0.161 0.000 1.026 172 K CA -0.393 55.972 56.287 0.130 0.000 1.064 172 K CB 0.590 33.143 32.500 0.088 0.000 0.833 172 K HN 0.160 9.095 8.250 0.080 -0.637 0.521 173 S N -6.296 109.504 115.700 0.167 0.000 2.587 173 S HA 0.118 4.739 4.470 0.252 0.000 0.269 173 S C -0.814 173.911 174.600 0.207 0.000 1.154 173 S CA -1.251 57.066 58.200 0.196 0.000 0.824 173 S CB 2.620 65.902 63.200 0.137 0.000 1.118 173 S HN -0.913 7.484 8.310 0.144 0.000 0.462 174 N N 2.049 120.909 118.700 0.267 0.000 2.104 174 N HA -0.394 4.632 4.740 0.477 0.000 0.190 174 N C 1.568 177.138 175.510 0.101 0.000 1.024 174 N CA 3.543 56.777 53.050 0.307 0.000 0.853 174 N CB -0.152 38.544 38.487 0.348 0.000 1.008 174 N HN 0.639 9.185 8.380 0.277 0.000 0.424 175 E N 1.007 121.261 120.200 0.090 0.000 2.097 175 E HA -0.396 3.986 4.350 0.053 0.000 0.196 175 E C 2.109 178.687 176.600 -0.037 0.000 1.000 175 E CA 3.456 59.880 56.400 0.041 0.000 0.804 175 E CB -0.289 29.444 29.700 0.056 0.000 0.740 175 E HN 0.267 8.697 8.360 0.118 0.000 0.454 176 E N -1.649 118.518 120.200 -0.055 0.000 2.106 176 E HA -0.280 4.014 4.350 -0.093 0.000 0.192 176 E C 2.698 179.135 176.600 -0.271 0.000 0.984 176 E CA 2.109 58.441 56.400 -0.113 0.000 0.806 176 E CB -0.230 29.433 29.700 -0.062 0.000 0.750 176 E HN -0.627 7.725 8.360 -0.013 0.000 0.458 177 G N -0.160 108.338 108.800 -0.504 0.000 2.418 177 G HA2 -0.264 3.170 3.960 -0.876 0.000 0.217 177 G HA3 -0.264 2.220 3.960 -2.459 0.000 0.217 177 G C 1.043 175.573 174.900 -0.617 0.000 1.158 177 G CA 1.926 46.349 45.100 -1.130 0.000 0.771 177 G HN -0.461 7.497 8.290 -0.426 0.077 0.545 178 I N 2.137 122.505 120.570 -0.337 0.000 2.208 178 I HA -0.634 3.534 4.170 -0.002 0.000 0.245 178 I C 1.746 177.828 176.117 -0.058 0.000 1.097 178 I CA 4.101 65.358 61.300 -0.073 0.000 1.363 178 I CB -0.168 37.845 38.000 0.022 0.000 1.051 178 I HN -0.134 7.895 8.210 -0.301 0.000 0.413 179 Q N -1.951 117.793 119.800 -0.094 0.000 2.124 179 Q HA -0.329 3.987 4.340 -0.040 0.000 0.202 179 Q C 2.839 178.780 176.000 -0.099 0.000 0.977 179 Q CA 2.844 58.602 55.803 -0.074 0.000 0.850 179 Q CB -0.679 28.016 28.738 -0.071 0.000 0.901 179 Q HN -0.457 7.745 8.270 -0.114 0.000 0.429 180 R N 0.817 121.203 120.500 -0.190 0.000 2.092 180 R HA -0.167 4.032 4.340 -0.235 0.000 0.231 180 R C 2.491 178.762 176.300 -0.048 0.000 1.119 180 R CA 2.246 58.180 56.100 -0.277 0.000 0.970 180 R CB -0.548 29.312 30.300 -0.733 0.000 0.864 180 R HN -0.525 7.511 8.270 -0.243 0.088 0.440 181 V N 0.289 120.281 119.914 0.130 0.000 2.407 181 V HA -0.443 4.098 4.120 0.415 -0.172 0.248 181 V C 1.939 178.108 176.094 0.124 0.000 1.055 181 V CA 3.918 66.378 62.300 0.266 0.000 1.049 181 V CB -0.039 31.948 31.823 0.273 0.000 0.662 181 V HN -0.538 7.703 8.190 0.085 0.000 0.455 182 L N -4.374 116.882 121.223 0.055 0.000 2.313 182 L HA -0.178 4.175 4.340 0.022 0.000 0.214 182 L C 1.650 178.527 176.870 0.013 0.000 1.119 182 L CA 2.560 57.414 54.840 0.024 0.000 0.809 182 L CB -0.119 41.947 42.059 0.010 0.000 0.933 182 L HN -0.628 7.614 8.230 0.038 0.010 0.449 183 T N -7.238 107.321 114.554 0.008 0.000 3.040 183 T HA 0.093 4.443 4.350 0.001 0.000 0.266 183 T C 0.021 174.727 174.700 0.011 0.000 1.005 183 T CA -0.194 61.905 62.100 -0.002 0.000 0.906 183 T CB 0.581 69.434 68.868 -0.025 0.000 1.082 183 T HN -0.361 7.736 8.240 0.006 0.146 0.531 184 S N 1.054 116.780 115.700 0.044 0.000 2.656 184 S HA 0.131 4.639 4.470 0.063 0.000 0.273 184 S C -1.764 172.936 174.600 0.165 0.000 1.168 184 S CA -0.998 57.249 58.200 0.078 0.000 0.817 184 S CB 2.380 65.608 63.200 0.048 0.000 1.146 184 S HN -0.624 7.723 8.310 0.062 0.000 0.475 185 D N 2.165 122.681 120.400 0.193 0.000 2.483 185 D HA 0.125 4.941 4.640 0.292 0.000 0.220 185 D C -1.996 174.529 176.300 0.376 0.000 1.173 185 D CA -0.190 53.973 54.000 0.271 0.000 0.964 185 D CB -1.026 39.897 40.800 0.205 0.000 1.046 185 D HN 0.250 8.716 8.370 0.159 0.000 0.517 186 Y N 4.776 125.253 120.300 0.295 0.000 2.479 186 Y HA 0.575 5.472 4.550 0.200 -0.226 0.338 186 Y C -2.821 173.284 175.900 0.342 0.000 1.055 186 Y CA -1.040 57.209 58.100 0.247 0.000 1.023 186 Y CB 3.821 42.385 38.460 0.174 0.000 1.287 186 Y HN -0.637 7.971 8.280 0.547 0.000 0.447 187 A N 6.577 129.283 122.820 -0.190 0.000 2.330 187 A HA 0.563 5.118 4.320 0.179 -0.127 0.327 187 A C -2.659 174.758 177.584 -0.278 0.000 1.155 187 A CA -2.386 49.563 52.037 -0.147 0.000 0.803 187 A CB 2.920 21.682 19.000 -0.398 0.000 1.208 187 A HN 0.720 8.661 8.150 -0.349 0.000 0.477 188 F N 4.215 124.083 119.950 -0.136 0.000 2.444 188 F HA 0.393 4.825 4.527 -0.157 0.000 0.342 188 F C -2.258 173.541 175.800 -0.001 0.000 1.121 188 F CA -2.897 55.079 58.000 -0.039 0.000 0.997 188 F CB 3.693 42.819 39.000 0.210 0.000 1.130 188 F HN 0.247 8.705 8.300 0.264 0.000 0.454 189 L N 9.127 130.105 121.223 -0.408 0.000 2.315 189 L HA 0.451 4.841 4.340 -0.222 -0.183 0.283 189 L C -1.188 175.322 176.870 -0.600 0.000 1.089 189 L CA -0.374 54.248 54.840 -0.362 0.000 0.833 189 L CB -0.846 41.068 42.059 -0.242 0.000 1.170 189 L HN 0.471 8.473 8.230 -0.379 0.000 0.442 190 M N 3.264 122.661 119.600 -0.339 0.000 2.575 190 M HA 0.426 4.695 4.480 -0.351 0.000 0.284 190 M C -2.273 173.972 176.300 -0.092 0.000 1.253 190 M CA -1.090 54.057 55.300 -0.255 0.000 0.861 190 M CB 4.221 36.784 32.600 -0.062 0.000 1.733 190 M HN 0.353 8.520 8.290 -0.204 0.000 0.462 191 E N 1.650 121.834 120.200 -0.026 0.000 2.354 191 E HA 0.077 4.522 4.350 -0.071 -0.137 0.269 191 E C 1.341 177.977 176.600 0.061 0.000 1.036 191 E CA 0.102 56.499 56.400 -0.005 0.000 0.876 191 E CB 0.947 30.673 29.700 0.043 0.000 1.009 191 E HN 0.555 8.914 8.360 -0.002 0.000 0.416 192 S N 4.700 120.403 115.700 0.006 0.000 2.382 192 S HA -0.323 4.178 4.470 0.052 0.000 0.228 192 S C 1.687 176.358 174.600 0.118 0.000 1.027 192 S CA 3.817 62.038 58.200 0.035 0.000 0.991 192 S CB 0.105 63.286 63.200 -0.031 0.000 0.823 192 S HN 0.389 8.666 8.310 -0.055 0.000 0.469 193 T N -0.881 113.761 114.554 0.146 0.000 2.821 193 T HA -0.222 4.238 4.350 0.183 0.000 0.267 193 T C 1.814 176.845 174.700 0.552 0.000 1.046 193 T CA 2.956 65.226 62.100 0.282 0.000 1.139 193 T CB -0.403 68.627 68.868 0.270 0.000 0.871 193 T HN 0.056 8.352 8.240 0.092 0.000 0.454 194 T N 4.796 119.636 114.554 0.476 0.000 2.857 194 T HA -0.270 4.362 4.350 0.469 0.000 0.266 194 T C 1.483 176.409 174.700 0.377 0.000 1.048 194 T CA 4.704 67.072 62.100 0.445 0.000 1.139 194 T CB -0.211 68.893 68.868 0.393 0.000 0.874 194 T HN -0.773 7.713 8.240 0.409 0.000 0.455 195 I N 1.894 122.637 120.570 0.287 0.000 2.208 195 I HA -0.522 3.790 4.170 0.237 0.000 0.245 195 I C 1.486 177.748 176.117 0.241 0.000 1.097 195 I CA 4.463 65.903 61.300 0.233 0.000 1.363 195 I CB -0.340 37.756 38.000 0.161 0.000 1.051 195 I HN -0.254 8.106 8.210 0.250 0.000 0.413 196 E N 0.302 120.669 120.200 0.280 0.000 2.085 196 E HA -0.373 4.095 4.350 0.197 0.000 0.194 196 E C 2.274 179.076 176.600 0.337 0.000 0.994 196 E CA 2.979 59.549 56.400 0.283 0.000 0.801 196 E CB -0.096 29.777 29.700 0.288 0.000 0.743 196 E HN -0.468 8.065 8.360 0.288 0.000 0.453 197 F N 0.240 120.359 119.950 0.282 0.000 2.102 197 F HA -0.239 4.503 4.527 0.063 -0.178 0.298 197 F C 2.275 178.104 175.800 0.049 0.000 1.105 197 F CA 3.262 61.300 58.000 0.064 0.000 1.239 197 F CB 0.338 39.211 39.000 -0.212 0.000 0.991 197 F HN -0.799 7.887 8.300 0.643 0.000 0.474 198 V N -1.413 118.613 119.914 0.188 0.000 2.358 198 V HA -0.614 3.533 4.120 0.045 0.000 0.246 198 V C 1.580 177.683 176.094 0.014 0.000 1.047 198 V CA 4.375 66.733 62.300 0.097 0.000 1.035 198 V CB 0.036 31.977 31.823 0.197 0.000 0.658 198 V HN -0.103 8.277 8.190 0.317 0.000 0.452 199 T N -3.311 111.275 114.554 0.054 0.000 2.995 199 T HA -0.263 4.106 4.350 0.032 0.000 0.269 199 T C 1.728 176.422 174.700 -0.009 0.000 1.091 199 T CA 2.645 64.766 62.100 0.035 0.000 1.128 199 T CB 0.039 68.946 68.868 0.065 0.000 0.891 199 T HN -0.192 8.107 8.240 0.099 0.000 0.492 200 Q N -0.427 119.346 119.800 -0.046 0.000 2.291 200 Q HA -0.233 4.087 4.340 -0.033 0.000 0.205 200 Q C 1.023 176.949 176.000 -0.124 0.000 0.970 200 Q CA 2.511 58.268 55.803 -0.076 0.000 0.876 200 Q CB 0.151 28.829 28.738 -0.099 0.000 0.935 200 Q HN -0.679 7.537 8.270 -0.046 0.027 0.455 201 R N -5.830 114.569 120.500 -0.168 0.000 2.373 201 R HA 0.105 4.360 4.340 -0.142 0.000 0.221 201 R C -0.327 175.923 176.300 -0.084 0.000 0.893 201 R CA 0.083 56.086 56.100 -0.161 0.000 1.049 201 R CB 1.735 31.873 30.300 -0.270 0.000 1.119 201 R HN -0.812 7.203 8.270 -0.171 0.153 0.535 202 N N 0.188 118.856 118.700 -0.053 0.000 2.573 202 N HA 0.186 4.911 4.740 -0.024 0.000 0.262 202 N C -0.548 174.955 175.510 -0.012 0.000 1.029 202 N CA -0.969 52.068 53.050 -0.022 0.000 0.882 202 N CB 1.271 39.757 38.487 -0.003 0.000 1.204 202 N HN -0.492 7.857 8.380 -0.052 0.000 0.519 203 c N 4.835 123.426 118.600 -0.014 0.000 2.539 203 c HA 0.070 4.636 4.570 -0.007 0.000 0.271 203 c C 0.501 174.587 174.090 -0.007 0.000 1.412 203 c CA 0.310 56.633 56.329 -0.009 0.000 1.729 203 c CB -1.240 41.263 42.510 -0.011 0.000 1.739 203 c HN 0.766 8.986 8.230 -0.017 0.000 0.570 204 N N -0.373 118.321 118.700 -0.009 0.000 2.412 204 N HA 0.038 4.765 4.740 -0.020 0.000 0.184 204 N C -1.010 174.489 175.510 -0.018 0.000 1.101 204 N CA 1.938 54.978 53.050 -0.017 0.000 0.881 204 N CB 0.819 39.294 38.487 -0.020 0.000 0.969 204 N HN -0.250 8.356 8.380 -0.008 -0.231 0.459 205 L N -2.489 118.736 121.223 0.003 0.000 2.322 205 L HA 0.637 5.107 4.340 0.008 -0.125 0.269 205 L C -0.936 175.957 176.870 0.039 0.000 1.012 205 L CA -0.919 53.936 54.840 0.024 0.000 0.815 205 L CB 2.822 44.915 42.059 0.056 0.000 1.295 205 L HN -0.636 7.550 8.230 0.007 0.049 0.438 206 T N -1.184 113.409 114.554 0.065 0.000 2.853 206 T HA 0.329 4.718 4.350 0.064 0.000 0.311 206 T C -2.037 172.724 174.700 0.103 0.000 1.307 206 T CA -1.671 60.473 62.100 0.072 0.000 1.019 206 T CB 2.537 71.439 68.868 0.057 0.000 1.264 206 T HN 0.385 8.674 8.240 0.081 0.000 0.497 207 Q N 4.659 124.512 119.800 0.088 0.000 2.332 207 Q HA 0.342 4.953 4.340 0.095 -0.214 0.263 207 Q C -0.631 175.415 176.000 0.076 0.000 0.979 207 Q CA 0.329 56.181 55.803 0.083 0.000 0.885 207 Q CB 1.015 29.790 28.738 0.063 0.000 1.218 207 Q HN 0.211 8.526 8.270 0.076 0.000 0.405 208 I N 5.850 126.463 120.570 0.071 0.000 2.378 208 I HA 0.150 4.356 4.170 0.059 0.000 0.291 208 I C -0.527 175.603 176.117 0.021 0.000 0.992 208 I CA -1.787 59.546 61.300 0.054 0.000 1.154 208 I CB 0.310 38.346 38.000 0.060 0.000 1.315 208 I HN 0.305 8.556 8.210 0.069 0.000 0.448 209 G N 4.989 113.800 108.800 0.017 0.000 2.697 209 G HA2 -0.369 3.643 3.960 0.007 0.000 0.240 209 G HA3 -0.369 3.593 3.960 0.003 0.000 0.240 209 G C -1.242 173.659 174.900 0.002 0.000 1.346 209 G CA 0.073 45.177 45.100 0.007 0.000 0.887 209 G HN 0.092 8.396 8.290 0.023 0.000 0.569 210 G N -1.811 106.986 108.800 -0.005 0.000 2.736 210 G HA2 0.152 4.103 3.960 -0.015 0.000 0.229 210 G HA3 0.152 4.102 3.960 -0.017 0.000 0.229 210 G C -1.255 173.622 174.900 -0.037 0.000 1.380 210 G CA -0.595 44.495 45.100 -0.017 0.000 1.040 210 G HN 0.077 8.365 8.290 -0.002 0.000 0.568 211 L N -1.411 119.778 121.223 -0.057 0.000 2.331 211 L HA -0.038 4.397 4.340 -0.110 -0.161 0.278 211 L C 0.563 177.365 176.870 -0.114 0.000 1.106 211 L CA -0.237 54.543 54.840 -0.100 0.000 0.824 211 L CB 0.827 42.819 42.059 -0.112 0.000 1.142 211 L HN 0.039 8.238 8.230 -0.052 0.000 0.443 212 I N 4.859 125.318 120.570 -0.186 0.000 2.716 212 I HA -0.180 3.936 4.170 -0.090 0.000 0.259 212 I C -0.278 175.654 176.117 -0.309 0.000 1.172 212 I CA 1.382 62.541 61.300 -0.235 0.000 1.478 212 I CB 0.702 38.450 38.000 -0.419 0.000 1.104 212 I HN 0.809 8.887 8.210 -0.221 0.000 0.439 213 D N -3.485 116.694 120.400 -0.369 0.000 2.825 213 D HA 0.110 4.614 4.640 -0.226 0.000 0.327 213 D C -2.001 174.143 176.300 -0.260 0.000 1.277 213 D CA -1.221 52.577 54.000 -0.336 0.000 0.950 213 D CB 1.712 42.174 40.800 -0.563 0.000 1.438 213 D HN -0.639 7.516 8.370 -0.358 0.000 0.526 214 S N -0.217 115.350 115.700 -0.222 0.000 2.614 214 S HA 0.547 5.063 4.470 -0.209 -0.171 0.288 214 S C -0.701 173.776 174.600 -0.204 0.000 1.137 214 S CA -1.177 56.906 58.200 -0.195 0.000 0.992 214 S CB 1.704 64.818 63.200 -0.143 0.000 1.026 214 S HN 0.036 8.222 8.310 -0.208 0.000 0.486 215 K N 4.010 124.265 120.400 -0.242 0.000 2.578 215 K HA 0.317 4.508 4.320 -0.215 0.000 0.287 215 K C -2.746 173.659 176.600 -0.324 0.000 1.010 215 K CA -1.351 54.783 56.287 -0.254 0.000 0.889 215 K CB 2.599 34.950 32.500 -0.249 0.000 1.514 215 K HN 0.569 8.660 8.250 -0.264 0.000 0.424 216 G N -2.555 106.047 108.800 -0.329 0.000 2.473 216 G HA2 0.639 4.477 3.960 -0.450 0.000 0.321 216 G HA3 0.639 4.406 3.960 -0.322 0.000 0.321 216 G C -2.016 172.637 174.900 -0.412 0.000 1.200 216 G CA -1.692 43.173 45.100 -0.390 0.000 0.963 216 G HN 0.125 8.237 8.290 -0.296 0.000 0.483 217 Y N -0.386 119.614 120.300 -0.500 0.000 2.308 217 Y HA 0.572 5.045 4.550 -0.441 -0.187 0.329 217 Y C -0.310 175.126 175.900 -0.773 0.000 1.111 217 Y CA -2.377 55.338 58.100 -0.642 0.000 1.179 217 Y CB 1.311 39.245 38.460 -0.876 0.000 1.201 217 Y HN -0.093 7.828 8.280 -0.598 0.000 0.483 218 G N -0.525 108.187 108.800 -0.147 0.000 2.680 218 G HA2 0.581 4.614 3.960 0.122 0.000 0.290 218 G HA3 0.581 4.646 3.960 0.176 0.000 0.290 218 G C -2.263 172.920 174.900 0.471 0.000 1.355 218 G CA -1.373 43.818 45.100 0.152 0.000 0.903 218 G HN -0.056 8.232 8.290 -0.005 0.000 0.474 219 V N 0.854 121.047 119.914 0.465 0.000 2.508 219 V HA -0.091 4.333 4.120 0.268 -0.143 0.281 219 V C -0.034 176.156 176.094 0.161 0.000 1.041 219 V CA 0.502 62.969 62.300 0.279 0.000 1.016 219 V CB 0.638 32.562 31.823 0.170 0.000 0.984 219 V HN -0.009 8.448 8.190 0.446 0.000 0.478 220 G N 6.297 115.094 108.800 -0.005 0.000 2.420 220 G HA2 0.573 4.401 3.960 -0.499 0.000 0.284 220 G HA3 0.573 4.292 3.960 -0.402 0.000 0.284 220 G C -2.055 172.691 174.900 -0.257 0.000 1.177 220 G CA -1.297 43.616 45.100 -0.312 0.000 0.841 220 G HN 0.125 8.423 8.290 0.012 0.000 0.527 221 T N -1.594 112.776 114.554 -0.307 0.000 2.896 221 T HA 0.724 4.927 4.350 -0.245 0.000 0.297 221 T C -2.489 172.048 174.700 -0.272 0.000 1.108 221 T CA -3.417 58.537 62.100 -0.243 0.000 1.004 221 T CB 1.850 70.632 68.868 -0.143 0.000 1.159 221 T HN 0.367 8.374 8.240 -0.389 0.000 0.499 222 P HA -0.006 4.276 4.420 -0.230 0.000 0.270 222 P C -0.747 176.457 177.300 -0.160 0.000 1.223 222 P CA 0.350 63.303 63.100 -0.244 0.000 0.785 222 P CB 0.538 31.978 31.700 -0.434 0.000 0.923 223 M N 2.987 122.521 119.600 -0.111 0.000 2.260 223 M HA -0.530 4.039 4.480 -0.090 -0.143 0.348 223 M C 1.139 177.423 176.300 -0.028 0.000 1.342 223 M CA 1.352 56.608 55.300 -0.072 0.000 1.040 223 M CB -0.278 32.286 32.600 -0.060 0.000 1.810 223 M HN 0.506 8.731 8.290 -0.108 0.000 0.453 224 G N 5.198 113.980 108.800 -0.030 0.000 2.176 224 G HA2 -0.436 3.515 3.960 -0.016 0.000 0.253 224 G HA3 -0.436 3.524 3.960 -0.001 0.000 0.253 224 G C -0.302 174.587 174.900 -0.019 0.000 0.979 224 G CA -0.226 44.865 45.100 -0.014 0.000 0.641 224 G HN 0.221 8.812 8.290 -0.038 -0.324 0.530 225 S N 2.242 117.922 115.700 -0.034 0.000 2.537 225 S HA 0.126 4.586 4.470 -0.017 0.000 0.286 225 S C -0.061 174.522 174.600 -0.029 0.000 1.299 225 S CA -2.497 55.690 58.200 -0.023 0.000 1.067 225 S CB 0.767 63.955 63.200 -0.019 0.000 0.864 225 S HN -0.527 7.706 8.310 -0.051 0.047 0.494 226 P HA -0.033 4.326 4.420 -0.101 0.000 0.230 226 P C 0.380 177.562 177.300 -0.196 0.000 1.158 226 P CA 1.557 64.566 63.100 -0.152 0.000 0.769 226 P CB 0.104 31.667 31.700 -0.228 0.000 0.807 227 Y N -1.468 118.791 120.300 -0.068 0.000 2.439 227 Y HA -0.282 4.240 4.550 -0.047 0.000 0.292 227 Y C 1.771 177.646 175.900 -0.043 0.000 1.130 227 Y CA 3.020 61.078 58.100 -0.070 0.000 1.254 227 Y CB -0.610 37.765 38.460 -0.143 0.000 1.000 227 Y HN -0.479 7.782 8.280 0.026 0.035 0.554 228 R N -0.141 120.409 120.500 0.082 0.000 2.097 228 R HA -0.498 3.883 4.340 0.069 0.000 0.236 228 R C 1.494 177.833 176.300 0.064 0.000 1.135 228 R CA 4.592 60.728 56.100 0.060 0.000 0.934 228 R CB -0.343 29.974 30.300 0.027 0.000 0.846 228 R HN -0.823 7.449 8.270 0.055 0.031 0.431 229 D N -2.506 117.916 120.400 0.037 0.000 2.178 229 D HA -0.149 4.518 4.640 0.044 0.000 0.202 229 D C 2.315 178.643 176.300 0.046 0.000 0.974 229 D CA 3.165 57.186 54.000 0.036 0.000 0.841 229 D CB -0.714 40.095 40.800 0.014 0.000 0.953 229 D HN 0.108 8.490 8.370 0.019 0.000 0.478 230 K N 0.081 120.508 120.400 0.045 0.000 2.057 230 K HA -0.251 4.100 4.320 0.051 0.000 0.207 230 K C 2.592 179.256 176.600 0.108 0.000 1.049 230 K CA 3.306 59.633 56.287 0.067 0.000 0.931 230 K CB 0.030 32.570 32.500 0.066 0.000 0.714 230 K HN -0.923 7.345 8.250 0.029 0.000 0.440 231 I N -0.289 120.360 120.570 0.132 0.000 2.315 231 I HA -0.465 3.793 4.170 0.148 0.000 0.248 231 I C 1.564 177.752 176.117 0.118 0.000 1.117 231 I CA 3.843 65.225 61.300 0.137 0.000 1.404 231 I CB -0.219 37.862 38.000 0.135 0.000 1.071 231 I HN 0.045 8.336 8.210 0.135 0.000 0.419 232 T N 3.210 117.828 114.554 0.106 0.000 2.665 232 T HA -0.442 3.976 4.350 0.114 0.000 0.268 232 T C 1.846 176.596 174.700 0.083 0.000 1.035 232 T CA 5.611 67.770 62.100 0.097 0.000 1.151 232 T CB -0.209 68.706 68.868 0.079 0.000 0.862 232 T HN -0.406 7.894 8.240 0.100 0.000 0.438 233 I N 0.259 120.871 120.570 0.070 0.000 2.226 233 I HA -0.490 3.712 4.170 0.054 0.000 0.245 233 I C 1.322 177.477 176.117 0.063 0.000 1.100 233 I CA 3.945 65.280 61.300 0.059 0.000 1.374 233 I CB -0.256 37.772 38.000 0.047 0.000 1.057 233 I HN -0.575 7.676 8.210 0.069 0.000 0.413 234 A N 0.381 123.245 122.820 0.074 0.000 1.933 234 A HA -0.268 4.086 4.320 0.057 0.000 0.218 234 A C 2.076 179.701 177.584 0.069 0.000 1.175 234 A CA 2.966 55.044 52.037 0.068 0.000 0.628 234 A CB -0.699 18.349 19.000 0.080 0.000 0.814 234 A HN -0.495 7.705 8.150 0.083 0.000 0.444 235 I N -1.427 119.197 120.570 0.090 0.000 2.226 235 I HA -0.619 3.611 4.170 0.100 0.000 0.245 235 I C 1.648 177.825 176.117 0.100 0.000 1.100 235 I CA 4.489 65.856 61.300 0.111 0.000 1.374 235 I CB 0.040 38.141 38.000 0.168 0.000 1.057 235 I HN -0.098 8.172 8.210 0.100 0.000 0.413 236 L N -1.718 119.556 121.223 0.084 0.000 2.083 236 L HA -0.517 3.866 4.340 0.071 0.000 0.209 236 L C 2.087 178.991 176.870 0.057 0.000 1.083 236 L CA 3.314 58.194 54.840 0.067 0.000 0.752 236 L CB -0.808 41.283 42.059 0.054 0.000 0.899 236 L HN -0.299 7.980 8.230 0.082 0.000 0.433 237 Q N -0.100 119.731 119.800 0.052 0.000 2.050 237 Q HA -0.368 3.995 4.340 0.038 0.000 0.202 237 Q C 2.549 178.576 176.000 0.045 0.000 0.980 237 Q CA 3.449 59.277 55.803 0.042 0.000 0.840 237 Q CB 0.075 28.835 28.738 0.037 0.000 0.898 237 Q HN -0.463 7.839 8.270 0.054 0.000 0.424 238 L N -1.137 120.115 121.223 0.050 0.000 2.131 238 L HA -0.310 4.055 4.340 0.041 0.000 0.210 238 L C 2.433 179.345 176.870 0.070 0.000 1.092 238 L CA 2.780 57.650 54.840 0.051 0.000 0.759 238 L CB -0.420 41.665 42.059 0.043 0.000 0.903 238 L HN -0.085 8.176 8.230 0.052 0.000 0.435 239 Q N -1.274 118.575 119.800 0.082 0.000 2.046 239 Q HA -0.382 4.025 4.340 0.111 0.000 0.200 239 Q C 2.705 178.744 176.000 0.065 0.000 0.975 239 Q CA 3.102 58.959 55.803 0.090 0.000 0.836 239 Q CB -0.363 28.429 28.738 0.090 0.000 0.896 239 Q HN -0.044 8.275 8.270 0.082 0.000 0.428 240 E N 0.057 120.287 120.200 0.049 0.000 2.150 240 E HA -0.210 4.157 4.350 0.028 0.000 0.193 240 E C 1.996 178.615 176.600 0.031 0.000 0.985 240 E CA 2.301 58.721 56.400 0.034 0.000 0.814 240 E CB -0.034 29.683 29.700 0.028 0.000 0.752 240 E HN -0.579 7.811 8.360 0.050 0.000 0.466 241 E N -3.517 116.706 120.200 0.038 0.000 2.427 241 E HA -0.098 4.269 4.350 0.029 0.000 0.196 241 E C 0.333 176.961 176.600 0.047 0.000 1.028 241 E CA 0.132 56.554 56.400 0.036 0.000 0.864 241 E CB 0.404 30.125 29.700 0.034 0.000 0.813 241 E HN -0.488 7.898 8.360 0.042 0.000 0.514 242 G N -2.085 106.752 108.800 0.063 0.000 2.157 242 G HA2 -0.441 3.579 3.960 0.100 0.000 0.239 242 G HA3 -0.441 3.570 3.960 0.085 0.000 0.239 242 G C 0.461 175.439 174.900 0.130 0.000 0.982 242 G CA 0.422 45.579 45.100 0.095 0.000 0.650 242 G HN -0.254 7.907 8.290 0.063 0.166 0.527 243 K N 1.155 121.612 120.400 0.095 0.000 2.103 243 K HA -0.195 4.172 4.320 0.079 0.000 0.204 243 K C 1.689 178.348 176.600 0.099 0.000 1.052 243 K CA 2.858 59.193 56.287 0.080 0.000 0.945 243 K CB -0.035 32.491 32.500 0.043 0.000 0.722 243 K HN -0.389 7.870 8.250 0.078 0.038 0.443 244 L N -2.524 118.777 121.223 0.130 0.000 2.141 244 L HA -0.309 4.112 4.340 0.136 0.000 0.209 244 L C 1.424 178.443 176.870 0.248 0.000 1.094 244 L CA 2.905 57.857 54.840 0.187 0.000 0.763 244 L CB -0.441 41.758 42.059 0.233 0.000 0.908 244 L HN -0.827 7.480 8.230 0.127 0.000 0.437 245 H N -0.566 118.580 119.070 0.127 0.000 2.357 245 H HA -0.304 4.321 4.556 0.115 0.000 0.301 245 H C 1.494 176.896 175.328 0.124 0.000 1.082 245 H CA 3.552 59.666 56.048 0.111 0.000 1.342 245 H CB 0.225 30.027 29.762 0.067 0.000 1.389 245 H HN -0.190 8.268 8.280 0.297 0.000 0.511 246 M N -1.493 118.146 119.600 0.066 0.000 2.159 246 M HA -0.420 4.020 4.480 -0.067 0.000 0.263 246 M C 2.407 178.736 176.300 0.049 0.000 1.063 246 M CA 4.306 59.612 55.300 0.010 0.000 1.110 246 M CB 0.064 32.703 32.600 0.064 0.000 1.374 246 M HN -0.515 7.874 8.290 0.165 0.000 0.411 247 M N -1.062 118.617 119.600 0.132 0.000 2.132 247 M HA -0.428 4.196 4.480 0.240 0.000 0.263 247 M C 2.020 178.650 176.300 0.549 0.000 1.065 247 M CA 4.157 59.615 55.300 0.263 0.000 1.122 247 M CB -0.210 32.415 32.600 0.042 0.000 1.365 247 M HN -0.260 8.105 8.290 0.124 0.000 0.411 248 K N -0.442 120.238 120.400 0.467 0.000 2.009 248 K HA -0.390 4.213 4.320 0.470 0.000 0.210 248 K C 1.826 178.608 176.600 0.303 0.000 1.049 248 K CA 3.061 59.550 56.287 0.337 0.000 0.929 248 K CB -0.621 31.873 32.500 -0.009 0.000 0.714 248 K HN -0.342 8.127 8.250 0.366 0.000 0.440 249 E N -1.774 118.455 120.200 0.049 0.000 2.077 249 E HA -0.416 3.966 4.350 0.054 0.000 0.193 249 E C 1.893 178.547 176.600 0.090 0.000 0.989 249 E CA 3.225 59.636 56.400 0.018 0.000 0.800 249 E CB -0.063 29.552 29.700 -0.141 0.000 0.746 249 E HN -0.429 7.881 8.360 -0.082 0.000 0.452 250 K N -1.147 119.282 120.400 0.048 0.000 2.057 250 K HA -0.286 3.933 4.320 -0.168 0.000 0.207 250 K C 2.100 178.570 176.600 -0.217 0.000 1.049 250 K CA 2.639 58.828 56.287 -0.163 0.000 0.931 250 K CB -0.019 32.291 32.500 -0.317 0.000 0.714 250 K HN -0.477 7.818 8.250 0.074 0.000 0.440 251 W N -4.720 116.751 121.300 0.284 0.000 2.942 251 W HA -0.042 4.681 4.660 0.105 0.000 0.263 251 W C 1.386 178.010 176.519 0.176 0.000 1.296 251 W CA 0.745 58.208 57.345 0.197 0.000 1.504 251 W CB 0.866 30.435 29.460 0.182 0.000 1.096 251 W HN -0.754 7.733 8.180 0.512 0.000 0.639 252 W N -2.781 118.695 121.300 0.293 0.000 3.177 252 W HA 0.133 5.077 4.660 0.474 0.000 0.309 252 W C 0.529 177.133 176.519 0.141 0.000 1.224 252 W CA 1.129 58.646 57.345 0.287 0.000 1.718 252 W CB 1.136 30.720 29.460 0.208 0.000 1.078 252 W HN -0.215 8.434 8.180 0.782 0.000 0.618 257 c N 0.000 118.594 118.600 -0.009 0.000 2.653 257 c HA 0.000 4.565 4.570 -0.009 0.000 0.325 257 c CA 0.000 56.325 56.329 -0.006 0.000 1.963 257 c CB 0.000 42.505 42.510 -0.008 0.000 2.134 257 c HN 0.000 8.409 8.230 -0.003 -0.181 0.568