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 3g3k_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNRSLIVTTI LEEPYVLFKK SDKPLYGNDR FEGYCIDLLR ELSTHLGFTY DATA SEQUENCE EIRLVEDGKY GAQDDVNGQW NGMVRELIDH KADLAVAPLA ITYVREEVID DATA SEQUENCE FSKPFMTLGI SILYRKGTPI DSADDLAKQT KIEYGAVEDG ATMTFFKRSK DATA SEQUENCE ISTYDKMWAF MSSRRQSVLV KSNEEGIQRV LTSDYAFLME STTIEFVTQR DATA SEQUENCE NcNLTQIGGL IDSKGYGVGT PMGSPYRDKI TLAILKLQEQ GKLHMMKEKW DATA SEQUENCE WRGXGc 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 0.026 0.000 0.327 2 S C 0.000 174.619 174.600 0.032 0.000 1.055 2 S CA 0.000 58.214 58.200 0.024 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 N N 2.934 121.662 118.700 0.046 0.000 2.508 3 N HA 0.073 4.844 4.740 0.051 0.000 0.264 3 N C -0.078 175.466 175.510 0.057 0.000 1.216 3 N CA -0.220 52.865 53.050 0.059 0.000 0.943 3 N CB 0.410 38.949 38.487 0.087 0.000 1.113 3 N HN 0.064 8.474 8.380 0.050 0.000 0.447 4 R N 2.093 122.624 120.500 0.052 0.000 2.583 4 R HA -0.200 4.161 4.340 0.035 0.000 0.274 4 R C -0.587 175.745 176.300 0.052 0.000 0.998 4 R CA 0.631 56.757 56.100 0.042 0.000 1.081 4 R CB 0.637 30.958 30.300 0.035 0.000 0.940 4 R HN 0.087 8.387 8.270 0.050 0.000 0.413 5 S N 2.452 118.178 115.700 0.044 0.000 2.549 5 S HA -0.106 4.552 4.470 0.096 -0.130 0.283 5 S C -0.088 174.530 174.600 0.031 0.000 1.320 5 S CA -0.173 58.063 58.200 0.060 0.000 1.058 5 S CB 0.510 63.735 63.200 0.041 0.000 0.882 5 S HN -0.020 8.311 8.310 0.034 0.000 0.498 6 L N 3.765 124.997 121.223 0.016 0.000 2.416 6 L HA -0.097 4.308 4.340 -0.136 -0.147 0.272 6 L C -0.163 176.678 176.870 -0.047 0.000 1.161 6 L CA -0.026 54.743 54.840 -0.119 0.000 0.845 6 L CB 0.379 42.198 42.059 -0.401 0.000 1.119 6 L HN 0.201 8.477 8.230 0.076 0.000 0.464 7 I N 3.000 123.520 120.570 -0.084 0.000 2.352 7 I HA 0.166 4.484 4.170 -0.015 -0.157 0.290 7 I C -0.329 175.722 176.117 -0.111 0.000 1.036 7 I CA -2.308 58.957 61.300 -0.059 0.000 1.336 7 I CB -1.075 36.894 38.000 -0.052 0.000 1.407 7 I HN 0.339 8.827 8.210 -0.107 -0.342 0.497 8 V N 8.824 128.686 119.914 -0.087 0.000 2.334 8 V HA 0.439 4.658 4.120 -0.180 -0.207 0.281 8 V C -0.829 175.174 176.094 -0.152 0.000 1.016 8 V CA -1.550 60.662 62.300 -0.146 0.000 0.832 8 V CB 1.608 33.336 31.823 -0.158 0.000 0.999 8 V HN 0.568 8.734 8.190 -0.040 0.000 0.439 9 T N 8.853 123.312 114.554 -0.158 0.000 2.910 9 T HA 0.712 5.220 4.350 -0.153 -0.249 0.293 9 T C -0.659 173.925 174.700 -0.194 0.000 1.015 9 T CA -0.506 61.498 62.100 -0.159 0.000 1.094 9 T CB 0.863 69.651 68.868 -0.133 0.000 0.968 9 T HN 0.241 8.386 8.240 -0.160 0.000 0.521 10 T N 4.451 118.872 114.554 -0.222 0.000 2.665 10 T HA 0.359 4.573 4.350 -0.226 0.000 0.303 10 T C -2.658 171.885 174.700 -0.263 0.000 1.334 10 T CA -2.019 59.929 62.100 -0.254 0.000 1.011 10 T CB 1.764 70.446 68.868 -0.311 0.000 1.573 10 T HN -0.373 7.739 8.240 -0.214 0.000 0.492 11 I N -0.391 120.014 120.570 -0.276 0.000 2.827 11 I HA 0.225 4.253 4.170 -0.237 0.000 0.298 11 I C -2.629 173.363 176.117 -0.209 0.000 1.235 11 I CA -1.544 59.592 61.300 -0.273 0.000 1.021 11 I CB 4.055 41.782 38.000 -0.455 0.000 1.259 11 I HN 0.153 8.205 8.210 -0.262 0.000 0.427 12 L N 4.418 125.544 121.223 -0.162 0.000 2.410 12 L HA -0.055 4.315 4.340 -0.156 -0.123 0.273 12 L C -0.965 175.876 176.870 -0.048 0.000 1.144 12 L CA 0.178 54.942 54.840 -0.126 0.000 0.863 12 L CB 0.134 42.125 42.059 -0.113 0.000 1.140 12 L HN 0.186 8.327 8.230 -0.147 0.000 0.463 13 E N 4.317 124.500 120.200 -0.028 0.000 2.531 13 E HA 0.197 4.577 4.350 0.050 0.000 0.323 13 E C -2.104 174.488 176.600 -0.013 0.000 0.908 13 E CA -0.748 55.675 56.400 0.039 0.000 0.792 13 E CB 3.127 32.901 29.700 0.123 0.000 1.360 13 E HN 0.208 8.535 8.360 -0.056 0.000 0.394 14 E N 7.344 127.486 120.200 -0.096 0.000 2.360 14 E HA -0.022 4.137 4.350 -0.318 0.000 0.269 14 E C -1.623 174.588 176.600 -0.649 0.000 1.022 14 E CA -1.180 55.030 56.400 -0.317 0.000 0.887 14 E CB 0.183 29.739 29.700 -0.241 0.000 0.990 14 E HN 0.293 8.622 8.360 -0.051 0.000 0.426 15 P HA 0.214 4.252 4.420 -0.636 0.000 0.266 15 P C -1.135 175.702 177.300 -0.772 0.000 1.561 15 P CA -0.408 62.139 63.100 -0.922 0.000 1.089 15 P CB 0.632 31.627 31.700 -1.175 0.000 1.534 16 Y N 0.801 120.867 120.300 -0.390 0.000 2.184 16 Y HA -0.133 4.324 4.550 -0.154 0.000 0.290 16 Y C 0.176 175.899 175.900 -0.295 0.000 1.129 16 Y CA 4.711 62.672 58.100 -0.232 0.000 1.144 16 Y CB 0.862 39.258 38.460 -0.106 0.000 0.995 16 Y HN -0.392 7.635 8.280 -0.302 0.072 0.513 17 V N -3.698 116.151 119.914 -0.108 0.000 2.655 17 V HA 0.391 4.546 4.120 -0.188 -0.149 0.301 17 V C -1.906 174.103 176.094 -0.141 0.000 1.082 17 V CA -0.706 61.502 62.300 -0.152 0.000 0.899 17 V CB 2.324 34.053 31.823 -0.157 0.000 1.014 17 V HN -0.375 7.771 8.190 -0.074 0.000 0.429 18 L N 2.853 124.008 121.223 -0.113 0.000 2.415 18 L HA 0.478 4.752 4.340 -0.109 0.000 0.256 18 L C -1.458 175.403 176.870 -0.015 0.000 1.010 18 L CA -1.319 53.478 54.840 -0.072 0.000 0.826 18 L CB 3.878 45.928 42.059 -0.015 0.000 1.405 18 L HN 0.472 8.643 8.230 -0.100 0.000 0.410 19 F N 0.574 120.547 119.950 0.039 0.000 2.504 19 F HA 0.179 4.783 4.527 -0.155 -0.170 0.369 19 F C 0.528 176.306 175.800 -0.037 0.000 1.082 19 F CA 0.245 58.203 58.000 -0.071 0.000 1.216 19 F CB 0.633 39.568 39.000 -0.109 0.000 1.108 19 F HN 0.134 8.456 8.300 0.036 0.000 0.554 20 K N 4.465 124.964 120.400 0.163 0.000 2.485 20 K HA -0.239 4.157 4.320 0.126 0.000 0.277 20 K C 0.145 176.784 176.600 0.065 0.000 0.990 20 K CA 0.613 56.964 56.287 0.106 0.000 0.994 20 K CB 0.520 33.063 32.500 0.072 0.000 0.906 20 K HN -0.022 8.311 8.250 0.138 0.000 0.488 21 K N 3.900 124.338 120.400 0.063 0.000 2.297 21 K HA 0.054 4.382 4.320 0.012 0.000 0.286 21 K C -0.588 176.015 176.600 0.006 0.000 1.053 21 K CA 0.801 57.105 56.287 0.028 0.000 0.940 21 K CB 0.484 33.008 32.500 0.041 0.000 1.019 21 K HN 0.318 8.616 8.250 0.081 0.000 0.475 22 S N 3.250 118.937 115.700 -0.023 0.000 2.547 22 S HA 0.153 4.615 4.470 -0.014 0.000 0.270 22 S C -0.633 173.940 174.600 -0.044 0.000 1.150 22 S CA -1.113 57.070 58.200 -0.029 0.000 0.850 22 S CB 1.446 64.621 63.200 -0.041 0.000 1.118 22 S HN 0.074 8.362 8.310 -0.037 0.000 0.461 23 D N 2.185 122.566 120.400 -0.032 0.000 2.162 23 D HA 0.042 4.658 4.640 -0.041 0.000 0.205 23 D C 0.293 176.567 176.300 -0.044 0.000 0.964 23 D CA 1.144 55.123 54.000 -0.035 0.000 0.847 23 D CB 0.396 41.184 40.800 -0.020 0.000 0.988 23 D HN 0.201 8.558 8.370 -0.022 0.000 0.480 24 K N 0.483 120.861 120.400 -0.035 0.000 2.295 24 K HA 0.245 4.548 4.320 -0.028 0.000 0.270 24 K C -2.401 174.147 176.600 -0.086 0.000 1.011 24 K CA -2.379 53.887 56.287 -0.034 0.000 0.953 24 K CB -0.252 32.247 32.500 -0.002 0.000 0.956 24 K HN -0.378 7.856 8.250 -0.026 0.000 0.477 25 P HA -0.060 4.176 4.420 -0.307 0.000 0.268 25 P C -1.399 175.675 177.300 -0.378 0.000 1.205 25 P CA -0.151 62.774 63.100 -0.292 0.000 0.771 25 P CB 0.451 31.964 31.700 -0.313 0.000 0.858 26 L N 0.857 121.783 121.223 -0.495 0.000 2.334 26 L HA 0.204 4.411 4.340 -0.221 0.000 0.270 26 L C -0.865 175.590 176.870 -0.691 0.000 1.018 26 L CA -1.214 53.385 54.840 -0.401 0.000 0.811 26 L CB 2.081 44.008 42.059 -0.219 0.000 1.271 26 L HN -0.191 7.753 8.230 -0.478 0.000 0.443 27 Y N -0.679 119.595 120.300 -0.043 0.000 2.545 27 Y HA 0.118 4.649 4.550 -0.032 0.000 0.348 27 Y C 0.547 176.451 175.900 0.008 0.000 1.002 27 Y CA -0.636 57.450 58.100 -0.023 0.000 1.039 27 Y CB 3.206 41.658 38.460 -0.013 0.000 1.271 27 Y HN 0.169 8.481 8.280 0.052 0.000 0.467 28 G N 1.811 110.722 108.800 0.185 0.000 2.582 28 G HA2 -0.513 3.562 3.960 0.191 0.000 0.288 28 G HA3 -0.513 3.543 3.960 0.159 0.000 0.288 28 G C 0.890 175.925 174.900 0.226 0.000 1.247 28 G CA 0.912 46.121 45.100 0.182 0.000 0.972 28 G HN 0.194 8.599 8.290 0.191 0.000 0.557 29 N N 2.955 121.787 118.700 0.221 0.000 2.364 29 N HA -0.240 4.804 4.740 0.508 0.000 0.183 29 N C 1.595 177.276 175.510 0.286 0.000 1.022 29 N CA 2.248 55.491 53.050 0.322 0.000 0.883 29 N CB -0.498 38.109 38.487 0.199 0.000 0.965 29 N HN 0.307 8.780 8.380 0.156 0.000 0.438 30 D N 0.621 121.113 120.400 0.153 0.000 2.378 30 D HA -0.171 4.541 4.640 0.120 0.000 0.222 30 D C 1.286 177.606 176.300 0.033 0.000 0.980 30 D CA 1.558 55.619 54.000 0.102 0.000 0.907 30 D CB -0.246 40.603 40.800 0.080 0.000 0.899 30 D HN -0.571 7.848 8.370 0.134 0.031 0.527 31 R N -2.174 118.279 120.500 -0.078 0.000 2.189 31 R HA -0.240 3.987 4.340 -0.188 0.000 0.223 31 R C -0.084 176.066 176.300 -0.250 0.000 1.092 31 R CA 2.518 58.452 56.100 -0.277 0.000 0.989 31 R CB 0.394 30.349 30.300 -0.575 0.000 0.876 31 R HN -0.649 7.540 8.270 -0.055 0.048 0.457 32 F N -4.017 116.010 119.950 0.128 0.000 2.507 32 F HA 0.773 5.509 4.527 0.033 -0.189 0.327 32 F C -1.084 174.734 175.800 0.029 0.000 1.068 32 F CA -1.586 56.441 58.000 0.045 0.000 0.965 32 F CB 3.047 42.039 39.000 -0.015 0.000 1.192 32 F HN -0.798 7.566 8.300 0.183 0.045 0.476 33 E N -2.607 117.693 120.200 0.166 0.000 2.458 33 E HA 0.349 4.745 4.350 0.076 0.000 0.278 33 E C -2.098 174.341 176.600 -0.268 0.000 1.004 33 E CA -1.812 54.617 56.400 0.048 0.000 0.823 33 E CB 3.689 33.506 29.700 0.195 0.000 1.396 33 E HN 0.356 8.801 8.360 0.143 0.000 0.463 34 G N -2.884 105.466 108.800 -0.750 0.000 2.361 34 G HA2 -0.193 1.970 3.960 -2.994 0.000 0.331 34 G HA3 -0.193 3.304 3.960 -1.000 -0.137 0.331 34 G C -1.432 172.612 174.900 -1.426 0.000 1.324 34 G CA -0.387 43.735 45.100 -1.631 0.000 0.984 34 G HN -0.248 7.712 8.290 -0.551 0.000 0.586 35 Y N 0.807 120.187 120.300 -1.532 0.000 2.128 35 Y HA -0.311 3.923 4.550 -0.528 0.000 0.284 35 Y C 1.246 176.990 175.900 -0.259 0.000 1.154 35 Y CA 4.100 61.823 58.100 -0.629 0.000 1.149 35 Y CB 0.696 39.055 38.460 -0.169 0.000 0.976 35 Y HN -0.233 7.282 8.280 -1.275 0.000 0.505 36 C N -3.440 115.881 119.300 0.035 0.000 2.432 36 C HA -0.383 4.022 4.460 -0.093 0.000 0.280 36 C C 1.547 176.415 174.990 -0.203 0.000 1.353 36 C CA 4.410 63.395 59.018 -0.054 0.000 1.766 36 C CB -0.462 27.298 27.740 0.034 0.000 1.924 36 C HN -0.319 7.861 8.230 0.094 0.107 0.509 37 I N 0.771 121.213 120.570 -0.213 0.000 2.252 37 I HA -0.383 3.684 4.170 -0.171 0.000 0.245 37 I C 1.781 177.821 176.117 -0.128 0.000 1.102 37 I CA 2.209 63.413 61.300 -0.160 0.000 1.385 37 I CB -1.047 36.899 38.000 -0.090 0.000 1.064 37 I HN -0.767 7.297 8.210 -0.244 0.000 0.414 38 D N -0.102 120.220 120.400 -0.130 0.000 2.117 38 D HA -0.281 4.356 4.640 -0.005 0.000 0.197 38 D C 2.444 178.641 176.300 -0.171 0.000 0.987 38 D CA 3.453 57.411 54.000 -0.071 0.000 0.829 38 D CB -0.308 40.515 40.800 0.038 0.000 0.961 38 D HN -0.249 8.016 8.370 -0.174 0.000 0.460 39 L N 0.513 121.551 121.223 -0.308 0.000 2.017 39 L HA -0.244 3.923 4.340 -0.289 0.000 0.208 39 L C 1.485 178.216 176.870 -0.231 0.000 1.073 39 L CA 2.756 57.403 54.840 -0.322 0.000 0.745 39 L CB -0.239 41.527 42.059 -0.489 0.000 0.894 39 L HN -0.323 7.680 8.230 -0.377 0.000 0.432 40 L N -1.040 120.031 121.223 -0.252 0.000 2.043 40 L HA -0.442 3.753 4.340 -0.241 0.000 0.212 40 L C 1.613 178.314 176.870 -0.281 0.000 1.075 40 L CA 3.376 58.040 54.840 -0.293 0.000 0.752 40 L CB -0.777 41.033 42.059 -0.415 0.000 0.891 40 L HN -0.171 7.899 8.230 -0.265 0.000 0.432 41 R N -1.454 118.943 120.500 -0.172 0.000 2.096 41 R HA -0.269 4.067 4.340 -0.006 0.000 0.235 41 R C 2.213 178.471 176.300 -0.071 0.000 1.127 41 R CA 2.131 58.199 56.100 -0.054 0.000 0.968 41 R CB -1.041 29.278 30.300 0.032 0.000 0.861 41 R HN -0.308 7.874 8.270 -0.147 0.000 0.440 42 E N -0.239 119.930 120.200 -0.052 0.000 2.077 42 E HA -0.226 4.170 4.350 0.076 0.000 0.193 42 E C 2.815 179.463 176.600 0.080 0.000 0.989 42 E CA 2.615 59.045 56.400 0.049 0.000 0.800 42 E CB -0.458 29.268 29.700 0.044 0.000 0.746 42 E HN -0.512 7.805 8.360 -0.071 0.000 0.452 43 L N -0.767 120.440 121.223 -0.026 0.000 2.046 43 L HA -0.406 3.981 4.340 0.080 0.000 0.208 43 L C 2.244 178.960 176.870 -0.258 0.000 1.077 43 L CA 3.377 58.215 54.840 -0.003 0.000 0.747 43 L CB -0.542 41.570 42.059 0.089 0.000 0.896 43 L HN 0.129 8.318 8.230 -0.068 0.000 0.432 44 S N -1.286 114.047 115.700 -0.611 0.000 2.359 44 S HA -0.334 2.652 4.470 -2.473 0.000 0.224 44 S C 2.007 176.275 174.600 -0.554 0.000 1.035 44 S CA 3.495 61.019 58.200 -1.127 0.000 1.018 44 S CB -0.301 62.611 63.200 -0.481 0.000 0.876 44 S HN -0.093 7.954 8.310 -0.438 0.000 0.448 45 T N -0.311 114.062 114.554 -0.302 0.000 2.857 45 T HA -0.192 4.020 4.350 -0.230 0.000 0.266 45 T C 1.806 176.339 174.700 -0.279 0.000 1.048 45 T CA 3.182 65.121 62.100 -0.268 0.000 1.139 45 T CB 0.209 68.910 68.868 -0.279 0.000 0.874 45 T HN -0.505 7.589 8.240 -0.243 0.000 0.455 46 H N 0.264 119.274 119.070 -0.100 0.000 2.395 46 H HA -0.094 4.445 4.556 -0.028 0.000 0.299 46 H C 1.215 176.542 175.328 -0.002 0.000 1.070 46 H CA 2.725 58.750 56.048 -0.038 0.000 1.356 46 H CB 0.426 30.176 29.762 -0.020 0.000 1.401 46 H HN -0.444 7.801 8.280 -0.059 0.000 0.524 47 L N -4.187 117.100 121.223 0.107 0.000 2.477 47 L HA 0.046 4.501 4.340 0.193 0.000 0.220 47 L C 0.250 177.224 176.870 0.173 0.000 1.106 47 L CA 0.199 55.157 54.840 0.198 0.000 0.851 47 L CB 0.836 43.153 42.059 0.430 0.000 0.994 47 L HN -0.338 7.913 8.230 0.035 0.000 0.462 48 G N -1.515 107.296 108.800 0.018 0.000 2.341 48 G HA2 -0.298 3.673 3.960 -0.033 0.000 0.278 48 G HA3 -0.298 3.705 3.960 0.071 0.000 0.278 48 G C -0.758 174.236 174.900 0.158 0.000 1.111 48 G CA 0.114 45.236 45.100 0.038 0.000 0.982 48 G HN -0.554 7.677 8.290 -0.099 0.000 0.502 49 F N -3.647 116.364 119.950 0.103 0.000 2.577 49 F HA 0.596 5.178 4.527 0.092 0.000 0.318 49 F C -2.230 173.636 175.800 0.111 0.000 1.065 49 F CA -3.296 54.766 58.000 0.103 0.000 0.929 49 F CB 1.935 40.991 39.000 0.094 0.000 1.237 49 F HN -0.732 7.368 8.300 -0.334 0.000 0.468 50 T N -3.034 111.715 114.554 0.325 0.000 2.936 50 T HA 0.236 4.645 4.350 0.098 0.000 0.282 50 T C -1.375 173.540 174.700 0.359 0.000 1.003 50 T CA -2.058 60.153 62.100 0.185 0.000 1.005 50 T CB 2.147 71.025 68.868 0.017 0.000 1.097 50 T HN -0.028 8.390 8.240 0.297 0.000 0.532 51 Y N -5.098 115.291 120.300 0.149 0.000 2.656 51 Y HA 0.801 5.650 4.550 0.075 -0.254 0.334 51 Y C -2.267 173.666 175.900 0.055 0.000 1.179 51 Y CA -1.891 56.275 58.100 0.110 0.000 1.050 51 Y CB 3.163 41.730 38.460 0.177 0.000 1.308 51 Y HN -0.124 7.943 8.280 -0.355 0.000 0.456 52 E N 0.973 121.292 120.200 0.198 0.000 2.246 52 E HA 0.392 4.983 4.350 0.124 -0.166 0.266 52 E C -1.193 175.493 176.600 0.143 0.000 0.880 52 E CA -1.968 54.514 56.400 0.138 0.000 0.762 52 E CB 4.452 34.194 29.700 0.070 0.000 1.180 52 E HN 0.240 8.717 8.360 0.194 0.000 0.416 53 I N 6.887 127.545 120.570 0.146 0.000 2.416 53 I HA 0.087 4.378 4.170 -0.078 -0.167 0.288 53 I C -0.187 175.902 176.117 -0.047 0.000 1.051 53 I CA 0.643 61.918 61.300 -0.041 0.000 1.375 53 I CB 0.141 38.001 38.000 -0.233 0.000 1.407 53 I HN 0.192 8.844 8.210 0.196 -0.325 0.516 54 R N 7.332 127.773 120.500 -0.098 0.000 2.513 54 R HA 0.357 4.717 4.340 0.034 0.000 0.301 54 R C -1.476 174.766 176.300 -0.097 0.000 0.968 54 R CA -1.889 54.187 56.100 -0.039 0.000 0.872 54 R CB 3.049 33.342 30.300 -0.012 0.000 1.177 54 R HN 0.424 8.615 8.270 -0.132 0.000 0.444 55 L N 3.919 125.114 121.223 -0.047 0.000 2.455 55 L HA -0.001 4.412 4.340 -0.152 -0.165 0.272 55 L C 0.586 177.422 176.870 -0.058 0.000 1.174 55 L CA -0.206 54.590 54.840 -0.075 0.000 0.869 55 L CB 0.593 42.657 42.059 0.010 0.000 1.130 55 L HN 0.399 8.653 8.230 0.040 0.000 0.474 56 V N 2.909 122.765 119.914 -0.097 0.000 2.644 56 V HA -0.391 3.958 4.120 -0.068 -0.270 0.305 56 V C 0.641 176.712 176.094 -0.038 0.000 1.053 56 V CA 1.295 63.548 62.300 -0.078 0.000 1.186 56 V CB 1.286 33.039 31.823 -0.116 0.000 0.895 56 V HN 0.189 8.298 8.190 -0.135 0.000 0.490 57 E N 9.779 129.969 120.200 -0.017 0.000 2.106 57 E HA -0.329 4.028 4.350 0.011 0.000 0.192 57 E C 0.228 176.834 176.600 0.008 0.000 0.984 57 E CA 2.589 58.992 56.400 0.004 0.000 0.806 57 E CB 0.198 29.904 29.700 0.010 0.000 0.750 57 E HN 0.050 8.687 8.360 -0.019 -0.287 0.458 58 D N -5.277 115.126 120.400 0.006 0.000 2.340 58 D HA -0.051 4.602 4.640 0.021 0.000 0.220 58 D C 0.768 177.075 176.300 0.012 0.000 1.039 58 D CA -0.828 53.182 54.000 0.017 0.000 0.866 58 D CB -0.725 40.093 40.800 0.029 0.000 0.913 58 D HN -0.288 8.082 8.370 0.001 0.000 0.523 59 G N -0.406 108.386 108.800 -0.013 0.000 2.155 59 G HA2 -0.435 3.495 3.960 -0.050 0.000 0.257 59 G HA3 -0.435 3.525 3.960 0.000 0.000 0.257 59 G C -0.278 174.601 174.900 -0.036 0.000 0.983 59 G CA 0.863 45.948 45.100 -0.025 0.000 0.676 59 G HN -0.499 7.622 8.290 -0.025 0.153 0.528 60 K N -1.521 118.859 120.400 -0.033 0.000 2.208 60 K HA 0.424 4.791 4.320 0.079 0.000 0.247 60 K C -0.389 176.182 176.600 -0.048 0.000 0.953 60 K CA -2.905 53.397 56.287 0.026 0.000 0.837 60 K CB 2.030 34.583 32.500 0.088 0.000 1.131 60 K HN -0.724 7.704 8.250 -0.033 -0.198 0.431 61 Y N 0.317 120.658 120.300 0.069 0.000 2.153 61 Y HA -0.170 4.405 4.550 0.042 0.000 0.289 61 Y C 0.157 176.125 175.900 0.114 0.000 1.119 61 Y CA 2.844 60.987 58.100 0.071 0.000 1.116 61 Y CB 1.079 39.584 38.460 0.074 0.000 1.004 61 Y HN 0.416 8.924 8.280 0.379 0.000 0.501 62 G N -6.793 102.206 108.800 0.333 0.000 2.326 62 G HA2 -0.139 4.304 3.960 0.302 0.000 0.299 62 G HA3 -0.139 4.093 3.960 0.382 -0.043 0.299 62 G C -3.082 172.077 174.900 0.430 0.000 1.643 62 G CA -0.089 45.226 45.100 0.358 0.000 0.916 62 G HN -0.532 7.968 8.290 0.351 0.000 0.700 63 A N 2.973 125.959 122.820 0.277 0.000 2.594 63 A HA 0.481 4.746 4.320 -0.091 0.000 0.291 63 A C -2.432 174.840 177.584 -0.521 0.000 1.105 63 A CA -0.872 51.116 52.037 -0.082 0.000 0.694 63 A CB 3.843 22.822 19.000 -0.036 0.000 1.291 63 A HN 0.317 8.901 8.150 0.230 -0.295 0.410 64 Q N 0.452 119.627 119.800 -1.040 0.000 2.256 64 Q HA 0.062 3.921 4.340 -1.091 -0.173 0.254 64 Q C -0.932 174.792 176.000 -0.461 0.000 0.916 64 Q CA -1.059 54.109 55.803 -1.059 0.000 0.932 64 Q CB 1.920 29.845 28.738 -1.355 0.000 1.207 64 Q HN 0.327 8.009 8.270 -0.980 0.000 0.426 65 D N 5.924 126.141 120.400 -0.305 0.000 2.348 65 D HA -0.055 4.514 4.640 -0.117 0.000 0.253 65 D C 0.290 176.511 176.300 -0.131 0.000 1.161 65 D CA 0.347 54.257 54.000 -0.150 0.000 0.876 65 D CB 2.061 42.807 40.800 -0.091 0.000 1.160 65 D HN -0.057 8.126 8.370 -0.311 0.000 0.459 66 D N 5.172 125.522 120.400 -0.084 0.000 2.269 66 D HA -0.172 4.419 4.640 -0.083 0.000 0.208 66 D C 0.783 177.062 176.300 -0.035 0.000 0.963 66 D CA 2.277 56.241 54.000 -0.060 0.000 0.864 66 D CB -0.318 40.466 40.800 -0.027 0.000 0.936 66 D HN 0.242 8.575 8.370 -0.062 0.000 0.505 67 V N -0.130 119.769 119.914 -0.025 0.000 2.379 67 V HA -0.240 3.876 4.120 -0.008 0.000 0.243 67 V C 1.401 177.486 176.094 -0.015 0.000 1.035 67 V CA 2.204 64.497 62.300 -0.013 0.000 1.035 67 V CB 0.529 32.349 31.823 -0.005 0.000 0.673 67 V HN -0.324 8.019 8.190 -0.026 -0.169 0.457 68 N N -1.999 116.687 118.700 -0.022 0.000 2.205 68 N HA 0.033 4.769 4.740 -0.008 0.000 0.201 68 N C 0.887 176.385 175.510 -0.020 0.000 1.128 68 N CA -0.463 52.578 53.050 -0.015 0.000 0.867 68 N CB 0.630 39.113 38.487 -0.006 0.000 0.996 68 N HN -0.347 8.279 8.380 -0.030 -0.265 0.503 69 G N 0.132 108.901 108.800 -0.051 0.000 2.184 69 G HA2 -0.521 3.445 3.960 -0.099 0.000 0.264 69 G HA3 -0.521 3.424 3.960 -0.024 0.000 0.264 69 G C -0.644 174.216 174.900 -0.066 0.000 0.975 69 G CA 0.608 45.671 45.100 -0.062 0.000 0.642 69 G HN -0.227 8.023 8.290 -0.066 0.000 0.536 70 Q N -0.372 119.395 119.800 -0.056 0.000 2.259 70 Q HA 0.080 4.476 4.340 0.093 0.000 0.249 70 Q C -0.504 175.458 176.000 -0.064 0.000 0.914 70 Q CA -0.762 55.050 55.803 0.014 0.000 0.904 70 Q CB 1.410 30.168 28.738 0.033 0.000 1.213 70 Q HN -0.300 8.194 8.270 -0.056 -0.257 0.428 71 W N 1.492 122.801 121.300 0.014 0.000 2.253 71 W HA 0.332 5.201 4.660 0.023 -0.196 0.348 71 W C -0.076 176.455 176.519 0.020 0.000 1.229 71 W CA -0.055 57.301 57.345 0.018 0.000 1.335 71 W CB 1.771 31.237 29.460 0.011 0.000 1.165 71 W HN 0.351 8.765 8.180 0.391 0.000 0.631 72 N N -3.000 115.877 118.700 0.294 0.000 3.167 72 N HA 0.132 4.966 4.740 0.156 0.000 0.323 72 N C -0.062 175.563 175.510 0.192 0.000 1.478 72 N CA -1.787 51.374 53.050 0.184 0.000 0.753 72 N CB 2.000 40.555 38.487 0.112 0.000 1.721 72 N HN -0.271 8.317 8.380 0.345 0.000 0.618 73 G N -2.294 106.575 108.800 0.115 0.000 2.598 73 G HA2 -0.442 3.819 3.960 0.039 0.000 0.244 73 G HA3 -0.442 3.740 3.960 0.107 -0.158 0.244 73 G C 0.374 175.295 174.900 0.034 0.000 1.302 73 G CA 0.493 45.639 45.100 0.076 0.000 0.903 73 G HN 0.009 8.762 8.290 0.091 -0.408 0.575 74 M N 2.149 121.745 119.600 -0.006 0.000 2.213 74 M HA -0.431 4.008 4.480 -0.069 0.000 0.263 74 M C 2.134 178.398 176.300 -0.059 0.000 1.062 74 M CA 4.097 59.364 55.300 -0.054 0.000 1.105 74 M CB 0.094 32.644 32.600 -0.085 0.000 1.385 74 M HN -0.363 7.919 8.290 -0.012 0.000 0.417 75 V N -1.002 118.898 119.914 -0.022 0.000 2.295 75 V HA -0.623 3.366 4.120 -0.219 0.000 0.246 75 V C 1.511 177.531 176.094 -0.123 0.000 1.049 75 V CA 4.294 66.512 62.300 -0.136 0.000 1.024 75 V CB -0.328 31.396 31.823 -0.164 0.000 0.648 75 V HN -0.517 7.690 8.190 0.047 0.012 0.447 76 R N -1.017 119.498 120.500 0.025 0.000 2.096 76 R HA -0.326 4.033 4.340 0.031 0.000 0.235 76 R C 1.816 178.116 176.300 -0.000 0.000 1.127 76 R CA 2.572 58.702 56.100 0.049 0.000 0.968 76 R CB -0.742 29.643 30.300 0.142 0.000 0.861 76 R HN -0.643 7.688 8.270 0.100 0.000 0.440 77 E N -0.144 120.045 120.200 -0.019 0.000 2.118 77 E HA -0.351 3.990 4.350 -0.014 0.000 0.195 77 E C 2.533 179.094 176.600 -0.065 0.000 0.992 77 E CA 3.144 59.523 56.400 -0.035 0.000 0.804 77 E CB -0.317 29.353 29.700 -0.050 0.000 0.741 77 E HN -0.570 7.781 8.360 -0.016 0.000 0.458 78 L N -1.158 119.996 121.223 -0.115 0.000 2.072 78 L HA -0.208 4.022 4.340 -0.183 0.000 0.205 78 L C 3.064 179.867 176.870 -0.113 0.000 1.079 78 L CA 2.809 57.548 54.840 -0.167 0.000 0.752 78 L CB 0.026 41.941 42.059 -0.239 0.000 0.906 78 L HN -0.522 7.633 8.230 -0.126 0.000 0.436 79 I N -0.455 120.056 120.570 -0.097 0.000 2.194 79 I HA -0.461 3.685 4.170 -0.040 0.000 0.246 79 I C 1.582 177.749 176.117 0.083 0.000 1.093 79 I CA 3.656 64.935 61.300 -0.035 0.000 1.355 79 I CB -0.109 37.845 38.000 -0.078 0.000 1.046 79 I HN -0.226 7.907 8.210 -0.129 0.000 0.413 80 D N -4.033 116.407 120.400 0.066 0.000 2.340 80 D HA 0.091 4.767 4.640 0.061 0.000 0.220 80 D C -0.848 175.548 176.300 0.161 0.000 1.039 80 D CA 0.451 54.499 54.000 0.081 0.000 0.866 80 D CB -0.238 40.588 40.800 0.044 0.000 0.913 80 D HN -0.522 7.854 8.370 0.029 0.011 0.523 81 H N -4.612 114.426 119.070 -0.052 0.000 2.791 81 H HA -0.333 4.185 4.556 -0.062 0.000 0.302 81 H C 0.124 175.426 175.328 -0.044 0.000 1.198 81 H CA 1.122 57.139 56.048 -0.050 0.000 1.145 81 H CB -2.540 27.199 29.762 -0.039 0.000 1.385 81 H HN -0.257 7.961 8.280 0.191 0.177 0.409 82 K N -4.143 116.280 120.400 0.037 0.000 2.365 82 K HA -0.029 4.300 4.320 0.016 0.000 0.197 82 K C -1.103 175.476 176.600 -0.036 0.000 1.042 82 K CA 0.167 56.456 56.287 0.003 0.000 0.987 82 K CB 0.761 33.260 32.500 -0.002 0.000 0.779 82 K HN -0.241 7.994 8.250 0.026 0.030 0.484 83 A N -3.684 119.089 122.820 -0.079 0.000 2.539 83 A HA 0.190 4.448 4.320 -0.103 0.000 0.296 83 A C -2.024 175.451 177.584 -0.181 0.000 1.073 83 A CA -0.910 51.054 52.037 -0.120 0.000 0.700 83 A CB 2.782 21.705 19.000 -0.128 0.000 1.296 83 A HN -0.881 7.181 8.150 -0.090 0.034 0.405 84 D N 0.107 120.385 120.400 -0.204 0.000 2.183 84 D HA 0.053 4.531 4.640 -0.269 0.000 0.205 84 D C -0.320 175.796 176.300 -0.306 0.000 0.962 84 D CA 3.109 56.947 54.000 -0.271 0.000 0.849 84 D CB 1.946 42.558 40.800 -0.313 0.000 0.978 84 D HN -0.051 8.207 8.370 -0.186 0.000 0.488 85 L N -3.909 117.141 121.223 -0.289 0.000 2.424 85 L HA 0.668 5.032 4.340 -0.254 -0.177 0.258 85 L C -2.664 174.079 176.870 -0.211 0.000 0.995 85 L CA -1.516 53.163 54.840 -0.269 0.000 0.821 85 L CB 5.281 47.147 42.059 -0.322 0.000 1.383 85 L HN -0.686 7.387 8.230 -0.263 0.000 0.410 86 A N 0.604 123.318 122.820 -0.177 0.000 2.285 86 A HA 0.818 5.257 4.320 -0.153 -0.211 0.310 86 A C -1.460 176.070 177.584 -0.091 0.000 1.266 86 A CA -1.720 50.234 52.037 -0.139 0.000 0.832 86 A CB 1.882 20.806 19.000 -0.128 0.000 1.163 86 A HN 0.569 8.615 8.150 -0.173 0.000 0.499 87 V N 4.764 124.609 119.914 -0.115 0.000 2.304 87 V HA 0.348 4.455 4.120 -0.021 0.000 0.278 87 V C -2.018 174.020 176.094 -0.094 0.000 1.018 87 V CA -0.731 61.513 62.300 -0.094 0.000 0.814 87 V CB 0.384 32.105 31.823 -0.169 0.000 1.021 87 V HN -0.170 7.929 8.190 -0.152 0.000 0.440 88 A N 6.044 128.859 122.820 -0.009 0.000 2.540 88 A HA 0.377 4.639 4.320 -0.097 0.000 0.291 88 A C -2.877 174.634 177.584 -0.122 0.000 1.083 88 A CA -1.385 50.608 52.037 -0.072 0.000 0.650 88 A CB 1.721 20.656 19.000 -0.108 0.000 1.292 88 A HN 0.198 8.405 8.150 0.094 0.000 0.435 89 P HA -0.001 3.445 4.420 -1.623 0.000 0.241 89 P C -2.287 174.560 177.300 -0.754 0.000 1.760 89 P CA -0.097 62.236 63.100 -1.279 0.000 1.081 89 P CB -1.917 28.778 31.700 -1.675 0.000 1.975 90 L N 3.457 124.513 121.223 -0.279 0.000 2.262 90 L HA 0.141 4.572 4.340 0.152 0.000 0.288 90 L C -2.038 174.933 176.870 0.169 0.000 1.035 90 L CA -1.533 53.363 54.840 0.093 0.000 0.820 90 L CB 1.958 44.152 42.059 0.226 0.000 1.204 90 L HN -0.453 7.623 8.230 -0.198 0.035 0.424 91 A N 6.940 129.857 122.820 0.162 0.000 2.440 91 A HA 0.182 4.720 4.320 0.082 -0.169 0.251 91 A C -0.031 177.414 177.584 -0.232 0.000 1.089 91 A CA -0.841 51.220 52.037 0.040 0.000 0.779 91 A CB 0.476 19.480 19.000 0.007 0.000 1.022 91 A HN 0.396 8.624 8.150 0.131 0.000 0.492 92 I N 4.835 125.073 120.570 -0.553 0.000 2.436 92 I HA -0.046 2.957 4.170 -1.945 0.000 0.289 92 I C -0.484 175.372 176.117 -0.435 0.000 1.083 92 I CA 0.996 61.686 61.300 -1.016 0.000 1.372 92 I CB -0.564 36.942 38.000 -0.823 0.000 1.408 92 I HN -0.012 7.936 8.210 -0.436 0.000 0.516 93 T N 4.258 118.657 114.554 -0.259 0.000 2.896 93 T HA 0.337 4.669 4.350 -0.030 0.000 0.297 93 T C 0.268 175.015 174.700 0.077 0.000 1.108 93 T CA -2.907 59.180 62.100 -0.022 0.000 1.004 93 T CB 2.842 71.750 68.868 0.066 0.000 1.159 93 T HN -0.365 7.711 8.240 -0.272 0.000 0.499 94 Y N 4.182 124.490 120.300 0.014 0.000 2.081 94 Y HA -0.446 4.122 4.550 0.030 0.000 0.280 94 Y C 0.771 176.727 175.900 0.093 0.000 1.163 94 Y CA 3.637 61.761 58.100 0.041 0.000 1.135 94 Y CB -0.693 37.783 38.460 0.027 0.000 0.970 94 Y HN 0.396 8.827 8.280 0.252 0.000 0.498 95 V N -7.076 112.885 119.914 0.078 0.000 2.515 95 V HA -0.285 3.898 4.120 -0.187 -0.175 0.250 95 V C 0.844 177.010 176.094 0.119 0.000 1.058 95 V CA 2.266 64.605 62.300 0.064 0.000 1.064 95 V CB -0.258 31.741 31.823 0.293 0.000 0.675 95 V HN -0.396 7.942 8.190 0.247 0.000 0.461 96 R N -1.140 119.433 120.500 0.122 0.000 2.073 96 R HA -0.251 3.872 4.340 -0.362 0.000 0.229 96 R C 2.072 178.352 176.300 -0.033 0.000 1.120 96 R CA 3.291 59.370 56.100 -0.036 0.000 0.967 96 R CB 0.135 30.558 30.300 0.206 0.000 0.862 96 R HN -0.851 7.521 8.270 0.170 0.000 0.436 97 E N -0.690 119.561 120.200 0.085 0.000 2.409 97 E HA -0.163 4.443 4.350 0.147 -0.168 0.198 97 E C 1.382 177.938 176.600 -0.074 0.000 1.024 97 E CA 1.854 58.305 56.400 0.086 0.000 0.861 97 E CB -0.340 29.443 29.700 0.139 0.000 0.788 97 E HN -0.290 8.120 8.360 0.084 0.000 0.521 98 E N -2.303 117.792 120.200 -0.174 0.000 2.204 98 E HA -0.201 4.055 4.350 -0.157 0.000 0.194 98 E C 1.250 177.767 176.600 -0.138 0.000 0.989 98 E CA 2.281 58.574 56.400 -0.177 0.000 0.824 98 E CB 0.501 30.063 29.700 -0.230 0.000 0.756 98 E HN -0.552 7.653 8.360 -0.209 0.029 0.477 99 V N -8.930 110.860 119.914 -0.207 0.000 3.539 99 V HA 0.199 4.217 4.120 -0.171 0.000 0.262 99 V C -1.036 174.885 176.094 -0.288 0.000 1.381 99 V CA 0.327 62.471 62.300 -0.260 0.000 1.060 99 V CB 2.392 33.956 31.823 -0.431 0.000 0.842 99 V HN -0.517 7.381 8.190 -0.244 0.145 0.445 100 I N -5.124 115.258 120.570 -0.313 0.000 3.239 100 I HA 0.330 4.336 4.170 -0.273 0.000 0.314 100 I C -2.626 173.328 176.117 -0.273 0.000 1.126 100 I CA -2.125 58.975 61.300 -0.333 0.000 0.973 100 I CB 3.235 40.946 38.000 -0.483 0.000 1.252 100 I HN -0.414 7.614 8.210 -0.304 0.000 0.463 101 D N 0.286 120.514 120.400 -0.288 0.000 2.492 101 D HA 0.647 5.423 4.640 -0.064 -0.174 0.248 101 D C -0.901 175.287 176.300 -0.186 0.000 1.101 101 D CA -1.512 52.394 54.000 -0.157 0.000 0.840 101 D CB 3.066 43.816 40.800 -0.083 0.000 1.209 101 D HN -0.080 8.101 8.370 -0.315 0.000 0.524 102 F N 3.809 123.738 119.950 -0.034 0.000 2.422 102 F HA 0.605 5.323 4.527 -0.007 -0.196 0.333 102 F C 0.912 176.720 175.800 0.014 0.000 1.095 102 F CA -0.959 57.035 58.000 -0.010 0.000 1.038 102 F CB 3.029 42.021 39.000 -0.013 0.000 1.156 102 F HN -0.305 8.347 8.300 0.210 -0.226 0.483 103 S N 2.551 118.397 115.700 0.244 0.000 2.587 103 S HA 0.080 4.634 4.470 0.141 0.000 0.260 103 S C 0.647 175.343 174.600 0.160 0.000 1.353 103 S CA -0.270 58.040 58.200 0.182 0.000 0.995 103 S CB 0.890 64.207 63.200 0.195 0.000 0.912 103 S HN 0.326 8.782 8.310 0.244 0.000 0.568 104 K N 0.536 121.002 120.400 0.111 0.000 2.286 104 K HA -0.022 4.321 4.320 0.038 0.000 0.256 104 K C -1.397 175.245 176.600 0.071 0.000 0.999 104 K CA -0.250 56.077 56.287 0.066 0.000 0.908 104 K CB -0.996 31.535 32.500 0.051 0.000 0.981 104 K HN -0.124 8.189 8.250 0.105 0.000 0.500 105 P HA 0.094 4.635 4.420 -0.147 -0.209 0.275 105 P C -0.907 176.422 177.300 0.047 0.000 1.227 105 P CA -0.380 62.674 63.100 -0.077 0.000 0.781 105 P CB 0.492 32.101 31.700 -0.151 0.000 0.906 106 F N -2.670 117.345 119.950 0.108 0.000 2.746 106 F HA 0.306 4.904 4.527 0.117 0.000 0.297 106 F C -0.897 174.994 175.800 0.153 0.000 1.113 106 F CA -1.125 56.965 58.000 0.150 0.000 1.367 106 F CB 1.377 40.507 39.000 0.217 0.000 1.111 106 F HN -0.052 8.020 8.300 -0.380 0.000 0.590 107 M N -0.464 119.083 119.600 -0.090 0.000 2.471 107 M HA 0.305 4.781 4.480 -0.007 0.000 0.284 107 M C -2.699 173.427 176.300 -0.290 0.000 1.203 107 M CA 0.220 55.467 55.300 -0.088 0.000 0.915 107 M CB 2.718 35.330 32.600 0.020 0.000 1.734 107 M HN -0.930 7.151 8.290 -0.348 0.000 0.485 108 T N 1.429 115.834 114.554 -0.249 0.000 2.912 108 T HA 0.762 5.029 4.350 -0.364 -0.135 0.288 108 T C -1.394 173.120 174.700 -0.310 0.000 1.030 108 T CA -1.717 60.207 62.100 -0.293 0.000 1.020 108 T CB 2.020 70.773 68.868 -0.191 0.000 1.056 108 T HN -0.136 7.994 8.240 -0.185 0.000 0.480 109 L N -4.919 116.104 121.223 -0.334 0.000 2.963 109 L HA 0.697 4.898 4.340 -0.233 0.000 0.273 109 L C -2.504 174.206 176.870 -0.268 0.000 1.078 109 L CA -0.625 54.032 54.840 -0.306 0.000 0.970 109 L CB 2.317 44.125 42.059 -0.419 0.000 1.564 109 L HN 0.269 8.303 8.230 -0.327 0.000 0.381 110 G N -4.185 104.476 108.800 -0.231 0.000 2.660 110 G HA2 0.658 4.540 3.960 -0.285 0.000 0.290 110 G HA3 0.658 4.620 3.960 -0.230 -0.141 0.290 110 G C -2.277 172.484 174.900 -0.232 0.000 1.432 110 G CA -0.448 44.504 45.100 -0.248 0.000 0.807 110 G HN -0.367 7.804 8.290 -0.198 0.000 0.485 111 I N -0.514 119.873 120.570 -0.305 0.000 2.648 111 I HA -0.117 4.043 4.170 -0.207 -0.113 0.284 111 I C -1.381 174.620 176.117 -0.194 0.000 1.153 111 I CA 2.022 63.161 61.300 -0.269 0.000 1.426 111 I CB 0.136 37.893 38.000 -0.405 0.000 1.381 111 I HN 0.210 8.529 8.210 -0.392 -0.344 0.571 112 S N 3.917 119.545 115.700 -0.120 0.000 2.880 112 S HA 0.506 4.925 4.470 -0.084 0.000 0.308 112 S C -2.010 172.558 174.600 -0.055 0.000 1.195 112 S CA -2.356 55.799 58.200 -0.075 0.000 0.866 112 S CB 2.851 66.023 63.200 -0.046 0.000 1.254 112 S HN 0.539 8.784 8.310 -0.108 0.000 0.571 113 I N -0.331 120.226 120.570 -0.022 0.000 2.465 113 I HA 0.472 4.786 4.170 -0.035 -0.165 0.291 113 I C -1.822 174.337 176.117 0.069 0.000 1.014 113 I CA -2.359 58.935 61.300 -0.009 0.000 1.093 113 I CB 1.829 39.803 38.000 -0.043 0.000 1.267 113 I HN -0.068 8.136 8.210 -0.009 0.000 0.431 114 L N 7.981 129.284 121.223 0.134 0.000 2.282 114 L HA 0.569 5.174 4.340 0.189 -0.152 0.288 114 L C -2.522 174.534 176.870 0.310 0.000 1.033 114 L CA -1.528 53.444 54.840 0.220 0.000 0.807 114 L CB 2.522 44.756 42.059 0.293 0.000 1.209 114 L HN 0.499 8.806 8.230 0.128 0.000 0.423 115 Y N 6.602 126.958 120.300 0.095 0.000 2.705 115 Y HA 0.381 4.995 4.550 0.107 0.000 0.332 115 Y C -2.005 173.941 175.900 0.076 0.000 1.221 115 Y CA -2.090 56.061 58.100 0.085 0.000 1.059 115 Y CB 3.892 42.382 38.460 0.051 0.000 1.298 115 Y HN 0.416 8.856 8.280 0.268 0.000 0.459 116 R N 1.051 121.243 120.500 -0.514 0.000 2.539 116 R HA 0.086 4.450 4.340 -0.182 -0.132 0.275 116 R C 0.134 176.262 176.300 -0.288 0.000 1.077 116 R CA 0.119 55.992 56.100 -0.378 0.000 1.097 116 R CB 0.791 30.825 30.300 -0.443 0.000 1.018 116 R HN 0.417 8.030 8.270 -1.095 0.000 0.483 117 K N 1.966 122.290 120.400 -0.127 0.000 2.380 117 K HA -0.223 4.081 4.320 -0.027 0.000 0.267 117 K C 0.376 176.933 176.600 -0.071 0.000 0.990 117 K CA 1.022 57.273 56.287 -0.061 0.000 0.946 117 K CB 0.201 32.683 32.500 -0.030 0.000 0.937 117 K HN -0.090 8.101 8.250 -0.098 0.000 0.491 118 G N 1.536 110.324 108.800 -0.020 0.000 2.734 118 G HA2 -0.234 3.729 3.960 0.006 0.000 0.277 118 G HA3 -0.234 3.715 3.960 -0.018 0.000 0.277 118 G C -1.206 173.703 174.900 0.015 0.000 1.099 118 G CA 0.211 45.307 45.100 -0.006 0.000 1.218 118 G HN 0.566 8.856 8.290 -0.001 0.000 0.554 119 T N 0.885 115.472 114.554 0.054 0.000 2.885 119 T HA 0.282 4.690 4.350 0.097 0.000 0.322 119 T C -1.980 172.772 174.700 0.087 0.000 1.387 119 T CA -3.093 59.070 62.100 0.106 0.000 1.041 119 T CB 1.163 70.183 68.868 0.254 0.000 1.287 119 T HN -0.656 7.616 8.240 0.053 0.000 0.491 120 P HA 0.237 4.682 4.420 0.042 0.000 0.255 120 P C -0.758 176.567 177.300 0.041 0.000 1.248 120 P CA 0.004 63.133 63.100 0.049 0.000 0.807 120 P CB 0.542 32.263 31.700 0.035 0.000 1.150 121 I N 1.431 122.037 120.570 0.059 0.000 2.598 121 I HA -0.341 3.819 4.170 -0.015 0.000 0.284 121 I C -0.766 175.360 176.117 0.015 0.000 1.140 121 I CA -0.177 61.129 61.300 0.009 0.000 1.420 121 I CB -1.259 36.716 38.000 -0.042 0.000 1.387 121 I HN -0.470 7.756 8.210 0.099 0.044 0.553 122 D N 4.822 125.218 120.400 -0.008 0.000 2.500 122 D HA 0.136 4.785 4.640 0.015 0.000 0.217 122 D C -1.292 175.001 176.300 -0.010 0.000 1.159 122 D CA -0.170 53.831 54.000 0.001 0.000 0.828 122 D CB 2.567 43.369 40.800 0.003 0.000 1.039 122 D HN 0.005 8.635 8.370 -0.022 -0.274 0.512 123 S N -5.331 110.350 115.700 -0.032 0.000 2.615 123 S HA 0.206 4.667 4.470 -0.015 0.000 0.268 123 S C -0.184 174.382 174.600 -0.056 0.000 1.146 123 S CA -1.849 56.335 58.200 -0.026 0.000 0.818 123 S CB 2.470 65.663 63.200 -0.011 0.000 1.111 123 S HN -0.785 7.495 8.310 -0.050 0.000 0.465 124 A N 1.703 124.517 122.820 -0.011 0.000 1.908 124 A HA -0.357 3.898 4.320 -0.108 0.000 0.218 124 A C 1.337 178.893 177.584 -0.046 0.000 1.181 124 A CA 3.208 55.240 52.037 -0.008 0.000 0.627 124 A CB -0.279 18.851 19.000 0.216 0.000 0.818 124 A HN 0.680 8.847 8.150 0.029 0.000 0.445 125 D N -1.767 118.621 120.400 -0.020 0.000 2.123 125 D HA -0.340 4.268 4.640 -0.054 0.000 0.196 125 D C 1.661 177.915 176.300 -0.077 0.000 0.992 125 D CA 4.424 58.393 54.000 -0.052 0.000 0.833 125 D CB -0.242 40.531 40.800 -0.046 0.000 0.954 125 D HN -0.027 8.345 8.370 0.003 0.000 0.455 126 D N -0.976 119.377 120.400 -0.079 0.000 2.117 126 D HA -0.200 4.398 4.640 -0.069 0.000 0.197 126 D C 1.815 178.032 176.300 -0.137 0.000 0.987 126 D CA 2.410 56.358 54.000 -0.088 0.000 0.829 126 D CB -0.158 40.599 40.800 -0.071 0.000 0.961 126 D HN -0.563 7.766 8.370 -0.068 0.000 0.460 127 L N -1.402 119.689 121.223 -0.219 0.000 2.046 127 L HA -0.295 3.877 4.340 -0.279 0.000 0.208 127 L C 1.945 178.620 176.870 -0.326 0.000 1.077 127 L CA 2.571 57.204 54.840 -0.345 0.000 0.747 127 L CB 0.073 41.746 42.059 -0.643 0.000 0.896 127 L HN -0.640 7.458 8.230 -0.219 0.000 0.432 128 A N -1.992 120.660 122.820 -0.280 0.000 1.972 128 A HA -0.247 3.968 4.320 -0.174 0.000 0.219 128 A C 0.312 177.852 177.584 -0.072 0.000 1.169 128 A CA 2.392 54.334 52.037 -0.158 0.000 0.635 128 A CB 0.070 19.029 19.000 -0.067 0.000 0.810 128 A HN -0.112 7.892 8.150 -0.244 0.000 0.446 129 K N -5.942 114.413 120.400 -0.075 0.000 2.505 129 K HA -0.177 4.128 4.320 -0.025 0.000 0.192 129 K C -0.023 176.554 176.600 -0.039 0.000 1.025 129 K CA 0.209 56.471 56.287 -0.042 0.000 1.086 129 K CB -0.260 32.218 32.500 -0.036 0.000 0.840 129 K HN -0.598 7.580 8.250 -0.091 0.019 0.514 130 Q N -1.159 118.604 119.800 -0.060 0.000 2.605 130 Q HA 0.182 4.506 4.340 -0.027 0.000 0.296 130 Q C -1.802 174.144 176.000 -0.090 0.000 1.056 130 Q CA -0.579 55.194 55.803 -0.050 0.000 0.778 130 Q CB 1.537 30.249 28.738 -0.043 0.000 1.497 130 Q HN -0.613 7.547 8.270 -0.083 0.060 0.443 131 T N -9.066 105.457 114.554 -0.051 0.000 3.130 131 T HA 0.208 4.407 4.350 -0.250 0.000 0.288 131 T C 0.459 175.183 174.700 0.040 0.000 0.936 131 T CA -0.754 61.316 62.100 -0.051 0.000 0.897 131 T CB 1.396 70.335 68.868 0.119 0.000 1.178 131 T HN -0.132 8.101 8.240 -0.013 0.000 0.543 132 K N 2.100 122.520 120.400 0.033 0.000 2.057 132 K HA -0.148 4.217 4.320 0.075 0.000 0.206 132 K C 0.304 176.952 176.600 0.081 0.000 1.050 132 K CA 2.153 58.477 56.287 0.062 0.000 0.935 132 K CB 0.212 32.743 32.500 0.052 0.000 0.715 132 K HN -0.451 7.872 8.250 0.017 -0.063 0.439 133 I N 0.223 120.824 120.570 0.052 0.000 2.322 133 I HA -0.045 4.331 4.170 0.123 -0.132 0.292 133 I C -0.281 175.867 176.117 0.052 0.000 1.060 133 I CA -1.481 59.856 61.300 0.063 0.000 1.309 133 I CB -1.896 36.082 38.000 -0.035 0.000 1.415 133 I HN -0.288 8.300 8.210 0.020 -0.366 0.492 134 E N 7.848 128.131 120.200 0.139 0.000 2.371 134 E HA 0.008 4.377 4.350 0.032 0.000 0.257 134 E C -1.518 175.078 176.600 -0.008 0.000 1.134 134 E CA -0.492 55.992 56.400 0.142 0.000 0.919 134 E CB 2.065 31.976 29.700 0.352 0.000 1.025 134 E HN -0.136 8.344 8.360 0.200 0.000 0.438 135 Y N -6.046 114.236 120.300 -0.029 0.000 2.609 135 Y HA 1.032 5.265 4.550 -0.869 -0.205 0.336 135 Y C -1.494 174.344 175.900 -0.103 0.000 1.129 135 Y CA -2.151 55.718 58.100 -0.384 0.000 1.040 135 Y CB 3.446 41.692 38.460 -0.356 0.000 1.310 135 Y HN -0.028 8.088 8.280 -0.273 0.000 0.460 136 G N -3.049 105.765 108.800 0.024 0.000 2.494 136 G HA2 0.455 4.526 3.960 0.184 0.000 0.308 136 G HA3 0.455 4.898 3.960 0.410 -0.237 0.308 136 G C -3.407 171.635 174.900 0.236 0.000 1.263 136 G CA 0.148 45.397 45.100 0.249 0.000 0.840 136 G HN -0.391 7.830 8.290 -0.115 0.000 0.479 137 A N -3.352 119.668 122.820 0.333 0.000 2.564 137 A HA 0.670 4.850 4.320 -0.233 0.000 0.291 137 A C -2.022 175.789 177.584 0.379 0.000 1.102 137 A CA -1.035 51.084 52.037 0.136 0.000 0.660 137 A CB 3.076 22.111 19.000 0.058 0.000 1.283 137 A HN -0.492 7.900 8.150 0.404 0.000 0.430 138 V N 0.192 120.283 119.914 0.294 0.000 2.529 138 V HA -0.093 4.413 4.120 0.362 -0.169 0.292 138 V C 0.336 176.571 176.094 0.235 0.000 1.028 138 V CA 0.618 63.100 62.300 0.303 0.000 1.074 138 V CB 0.145 32.114 31.823 0.243 0.000 0.958 138 V HN 0.598 8.878 8.190 0.151 0.000 0.481 139 E N 7.450 127.787 120.200 0.227 0.000 2.384 139 E HA -0.320 4.158 4.350 0.213 0.000 0.266 139 E C -0.771 175.940 176.600 0.186 0.000 1.012 139 E CA 0.321 56.840 56.400 0.199 0.000 0.901 139 E CB 0.277 30.077 29.700 0.168 0.000 0.967 139 E HN 0.073 8.569 8.360 0.226 0.000 0.435 140 D N -0.619 119.880 120.400 0.165 0.000 2.945 140 D HA -0.327 4.384 4.640 0.117 0.000 0.225 140 D C -0.829 175.584 176.300 0.188 0.000 1.158 140 D CA 1.955 56.045 54.000 0.150 0.000 0.805 140 D CB -0.819 40.064 40.800 0.139 0.000 1.098 140 D HN -0.127 8.342 8.370 0.164 0.000 0.426 141 G N -4.133 104.762 108.800 0.158 0.000 2.820 141 G HA2 0.346 4.399 3.960 0.155 0.000 0.291 141 G HA3 0.346 4.320 3.960 0.023 0.000 0.291 141 G C -1.064 173.882 174.900 0.076 0.000 1.323 141 G CA -1.537 43.625 45.100 0.103 0.000 1.055 141 G HN -0.952 7.384 8.290 0.148 0.043 0.520 142 A N -1.337 121.498 122.820 0.026 0.000 1.930 142 A HA -0.272 4.099 4.320 0.084 0.000 0.217 142 A C 2.156 179.772 177.584 0.053 0.000 1.175 142 A CA 3.347 55.411 52.037 0.045 0.000 0.627 142 A CB -0.585 18.422 19.000 0.012 0.000 0.815 142 A HN 0.595 8.721 8.150 -0.040 0.000 0.443 143 T N 1.809 116.383 114.554 0.034 0.000 2.708 143 T HA -0.401 3.996 4.350 0.078 0.000 0.266 143 T C 1.677 176.545 174.700 0.280 0.000 1.037 143 T CA 4.890 67.057 62.100 0.110 0.000 1.146 143 T CB -0.231 68.660 68.868 0.038 0.000 0.865 143 T HN -0.127 8.108 8.240 -0.009 0.000 0.435 144 M N 1.347 121.066 119.600 0.198 0.000 2.117 144 M HA -0.230 4.448 4.480 0.329 0.000 0.262 144 M C 1.220 177.521 176.300 0.001 0.000 1.065 144 M CA 3.065 58.486 55.300 0.202 0.000 1.114 144 M CB -1.357 31.364 32.600 0.202 0.000 1.361 144 M HN -0.017 8.359 8.290 0.143 0.000 0.408 145 T N 3.730 118.278 114.554 -0.009 0.000 2.788 145 T HA -0.458 3.756 4.350 -0.227 0.000 0.268 145 T C 1.678 176.312 174.700 -0.110 0.000 1.044 145 T CA 4.672 66.710 62.100 -0.102 0.000 1.139 145 T CB -0.332 68.531 68.868 -0.009 0.000 0.867 145 T HN -0.568 7.699 8.240 0.045 0.000 0.454 146 F N 3.253 123.110 119.950 -0.156 0.000 2.069 146 F HA -0.512 3.883 4.527 -0.219 0.000 0.298 146 F C 0.997 176.595 175.800 -0.337 0.000 1.113 146 F CA 3.940 61.786 58.000 -0.256 0.000 1.214 146 F CB 0.072 38.865 39.000 -0.345 0.000 0.978 146 F HN -0.361 8.042 8.300 0.172 0.000 0.474 147 F N -3.230 116.649 119.950 -0.118 0.000 2.146 147 F HA -0.453 3.964 4.527 -0.183 0.000 0.298 147 F C 2.689 178.202 175.800 -0.479 0.000 1.096 147 F CA 3.794 61.703 58.000 -0.151 0.000 1.275 147 F CB -0.190 38.943 39.000 0.222 0.000 1.008 147 F HN -0.544 7.917 8.300 0.268 0.000 0.480 148 K N -1.205 118.695 120.400 -0.833 0.000 2.097 148 K HA -0.323 2.569 4.320 -2.381 0.000 0.206 148 K C 1.386 177.615 176.600 -0.618 0.000 1.049 148 K CA 2.603 58.048 56.287 -1.403 0.000 0.933 148 K CB -0.047 31.646 32.500 -1.345 0.000 0.717 148 K HN -0.211 7.598 8.250 -0.735 0.000 0.442 149 R N -3.605 116.632 120.500 -0.437 0.000 2.334 149 R HA 0.032 4.233 4.340 -0.232 0.000 0.216 149 R C -0.155 175.960 176.300 -0.308 0.000 0.905 149 R CA 0.054 55.977 56.100 -0.295 0.000 1.064 149 R CB 0.609 30.775 30.300 -0.224 0.000 1.046 149 R HN -0.526 7.459 8.270 -0.452 0.014 0.508 150 S N 0.017 115.473 115.700 -0.407 0.000 2.564 150 S HA -0.074 4.137 4.470 -0.432 0.000 0.278 150 S C 0.175 174.678 174.600 -0.162 0.000 1.333 150 S CA -0.308 57.658 58.200 -0.390 0.000 1.048 150 S CB 0.557 63.443 63.200 -0.524 0.000 0.900 150 S HN -0.714 7.331 8.310 -0.442 0.000 0.505 151 K N 3.155 123.474 120.400 -0.136 0.000 2.367 151 K HA 0.094 4.381 4.320 -0.054 0.000 0.194 151 K C 0.126 176.688 176.600 -0.064 0.000 1.027 151 K CA -0.805 55.436 56.287 -0.076 0.000 1.075 151 K CB 0.029 32.484 32.500 -0.074 0.000 0.845 151 K HN 0.167 8.319 8.250 -0.163 0.000 0.529 152 I N 1.563 122.086 120.570 -0.078 0.000 2.496 152 I HA -0.058 4.043 4.170 -0.115 0.000 0.285 152 I C 1.073 177.109 176.117 -0.134 0.000 1.080 152 I CA -0.602 60.622 61.300 -0.126 0.000 1.404 152 I CB -0.419 37.461 38.000 -0.200 0.000 1.403 152 I HN -0.730 7.434 8.210 -0.078 0.000 0.539 153 S N 7.123 122.747 115.700 -0.126 0.000 2.365 153 S HA -0.385 4.360 4.470 -0.032 -0.295 0.225 153 S C 1.968 176.523 174.600 -0.076 0.000 1.039 153 S CA 3.599 61.754 58.200 -0.075 0.000 1.033 153 S CB -0.377 62.782 63.200 -0.068 0.000 0.887 153 S HN 0.605 8.838 8.310 -0.128 0.000 0.447 154 T N 3.223 117.658 114.554 -0.198 0.000 2.684 154 T HA -0.328 3.985 4.350 -0.061 0.000 0.267 154 T C 1.896 176.634 174.700 0.065 0.000 1.036 154 T CA 4.644 66.654 62.100 -0.149 0.000 1.148 154 T CB -0.196 68.482 68.868 -0.317 0.000 0.863 154 T HN 0.166 8.232 8.240 -0.289 0.000 0.436 155 Y N -0.594 119.793 120.300 0.144 0.000 2.314 155 Y HA -0.149 4.686 4.550 0.475 0.000 0.293 155 Y C 1.749 177.839 175.900 0.317 0.000 1.129 155 Y CA 0.145 58.410 58.100 0.275 0.000 1.201 155 Y CB -1.118 37.350 38.460 0.014 0.000 0.999 155 Y HN -0.675 7.402 8.280 -0.338 0.000 0.541 156 D N -1.500 119.075 120.400 0.291 0.000 2.183 156 D HA -0.248 4.619 4.640 0.378 0.000 0.203 156 D C 1.920 178.392 176.300 0.288 0.000 0.969 156 D CA 2.598 56.768 54.000 0.284 0.000 0.842 156 D CB -0.783 40.111 40.800 0.156 0.000 0.957 156 D HN 0.001 8.477 8.370 0.176 0.000 0.484 157 K N -0.837 119.695 120.400 0.220 0.000 2.103 157 K HA -0.237 4.189 4.320 0.177 0.000 0.204 157 K C 2.266 179.030 176.600 0.274 0.000 1.052 157 K CA 2.606 59.011 56.287 0.196 0.000 0.945 157 K CB -0.434 32.139 32.500 0.122 0.000 0.722 157 K HN -0.469 7.888 8.250 0.178 0.000 0.443 158 M N 0.599 120.408 119.600 0.348 0.000 2.117 158 M HA -0.319 4.457 4.480 0.494 0.000 0.262 158 M C 2.033 178.605 176.300 0.454 0.000 1.065 158 M CA 3.713 59.273 55.300 0.433 0.000 1.114 158 M CB 0.242 33.037 32.600 0.324 0.000 1.361 158 M HN -0.407 8.094 8.290 0.352 0.000 0.408 159 W N -0.325 121.164 121.300 0.314 0.000 2.358 159 W HA -0.494 4.292 4.660 0.210 0.000 0.303 159 W C 1.108 177.731 176.519 0.174 0.000 1.208 159 W CA 2.999 60.488 57.345 0.239 0.000 1.274 159 W CB 0.483 30.087 29.460 0.240 0.000 1.138 159 W HN 0.035 8.631 8.180 0.692 0.000 0.515 160 A N -0.579 122.238 122.820 -0.004 0.000 1.908 160 A HA -0.342 3.809 4.320 -0.281 0.000 0.218 160 A C 2.050 179.530 177.584 -0.174 0.000 1.181 160 A CA 2.884 54.838 52.037 -0.138 0.000 0.627 160 A CB -1.005 18.015 19.000 0.034 0.000 0.818 160 A HN -0.260 8.006 8.150 0.195 0.000 0.445 161 F N 0.197 120.047 119.950 -0.166 0.000 2.102 161 F HA -0.294 4.118 4.527 -0.192 0.000 0.298 161 F C 1.644 177.243 175.800 -0.335 0.000 1.105 161 F CA 3.572 61.443 58.000 -0.215 0.000 1.239 161 F CB 0.417 39.317 39.000 -0.166 0.000 0.991 161 F HN -0.769 7.675 8.300 0.240 0.000 0.474 162 M N -1.515 117.967 119.600 -0.197 0.000 2.117 162 M HA -0.559 3.760 4.480 -0.269 0.000 0.262 162 M C 1.922 177.878 176.300 -0.573 0.000 1.065 162 M CA 4.047 59.148 55.300 -0.331 0.000 1.114 162 M CB 0.244 32.756 32.600 -0.147 0.000 1.361 162 M HN -0.168 8.111 8.290 -0.018 0.000 0.408 163 S N -1.504 113.640 115.700 -0.927 0.000 2.368 163 S HA -0.322 3.721 4.470 -0.712 0.000 0.224 163 S C 2.394 176.721 174.600 -0.455 0.000 1.029 163 S CA 3.212 60.921 58.200 -0.818 0.000 0.988 163 S CB -0.703 61.861 63.200 -1.061 0.000 0.838 163 S HN 0.058 7.699 8.310 -1.115 0.000 0.462 164 S N 4.018 119.455 115.700 -0.438 0.000 2.368 164 S HA -0.226 4.087 4.470 -0.262 0.000 0.225 164 S C 1.645 176.034 174.600 -0.351 0.000 1.030 164 S CA 2.957 60.954 58.200 -0.338 0.000 0.999 164 S CB -0.226 62.783 63.200 -0.318 0.000 0.844 164 S HN -0.340 7.685 8.310 -0.476 0.000 0.459 165 R N -0.008 120.208 120.500 -0.473 0.000 2.426 165 R HA 0.248 4.394 4.340 -0.324 0.000 0.263 165 R C 0.799 176.948 176.300 -0.251 0.000 0.961 165 R CA -0.770 55.087 56.100 -0.404 0.000 1.086 165 R CB -0.282 29.645 30.300 -0.623 0.000 1.186 165 R HN -0.499 7.420 8.270 -0.585 0.000 0.537 166 R N -0.693 119.678 120.500 -0.216 0.000 2.127 166 R HA -0.330 4.001 4.340 -0.105 -0.053 0.238 166 R C 1.912 178.179 176.300 -0.054 0.000 1.134 166 R CA 3.178 59.206 56.100 -0.119 0.000 0.975 166 R CB -0.828 29.411 30.300 -0.102 0.000 0.865 166 R HN -0.847 7.212 8.270 -0.241 0.066 0.447 167 Q N -2.130 117.630 119.800 -0.066 0.000 2.224 167 Q HA -0.207 4.121 4.340 -0.019 0.000 0.203 167 Q C 0.864 176.843 176.000 -0.036 0.000 0.970 167 Q CA 2.011 57.791 55.803 -0.038 0.000 0.865 167 Q CB -0.946 27.765 28.738 -0.044 0.000 0.922 167 Q HN 0.226 8.428 8.270 -0.088 0.015 0.445 168 S N -2.937 112.731 115.700 -0.053 0.000 2.468 168 S HA -0.075 4.365 4.470 -0.050 0.000 0.226 168 S C 2.354 176.945 174.600 -0.016 0.000 1.051 168 S CA 1.675 59.846 58.200 -0.048 0.000 0.943 168 S CB 0.419 63.584 63.200 -0.059 0.000 0.810 168 S HN -0.496 7.748 8.310 -0.075 0.021 0.509 169 V N -3.962 115.970 119.914 0.031 0.000 3.565 169 V HA 0.192 4.461 4.120 0.248 0.000 0.260 169 V C -1.604 174.635 176.094 0.243 0.000 1.231 169 V CA 0.350 62.768 62.300 0.197 0.000 1.100 169 V CB 1.045 32.998 31.823 0.217 0.000 0.807 169 V HN -0.393 7.790 8.190 -0.012 0.000 0.454 170 L N 0.553 121.866 121.223 0.150 0.000 2.292 170 L HA 0.469 5.171 4.340 0.276 -0.196 0.284 170 L C -0.105 176.864 176.870 0.164 0.000 1.065 170 L CA -0.555 54.404 54.840 0.199 0.000 0.806 170 L CB 0.124 42.285 42.059 0.169 0.000 1.175 170 L HN -0.734 7.548 8.230 0.086 0.000 0.431 171 V N -4.103 115.937 119.914 0.210 0.000 3.113 171 V HA 0.622 4.859 4.120 0.080 -0.068 0.316 171 V C -0.009 176.177 176.094 0.154 0.000 1.125 171 V CA -3.092 59.288 62.300 0.134 0.000 1.026 171 V CB 3.862 35.733 31.823 0.080 0.000 1.080 171 V HN 0.219 8.582 8.190 0.289 0.000 0.444 172 K N -1.864 118.601 120.400 0.108 0.000 2.365 172 K HA 0.072 4.470 4.320 0.131 0.000 0.197 172 K C -0.247 176.445 176.600 0.153 0.000 1.042 172 K CA -0.120 56.239 56.287 0.119 0.000 0.987 172 K CB 0.406 32.953 32.500 0.077 0.000 0.779 172 K HN 0.241 9.154 8.250 0.073 -0.619 0.484 173 S N -5.998 109.796 115.700 0.157 0.000 2.588 173 S HA 0.134 4.752 4.470 0.246 0.000 0.269 173 S C -1.012 173.705 174.600 0.194 0.000 1.157 173 S CA -1.646 56.666 58.200 0.187 0.000 0.824 173 S CB 2.691 65.967 63.200 0.127 0.000 1.126 173 S HN -0.888 7.500 8.310 0.131 0.000 0.464 174 N N 1.899 120.750 118.700 0.252 0.000 2.104 174 N HA -0.374 4.641 4.740 0.459 0.000 0.190 174 N C 1.562 177.128 175.510 0.093 0.000 1.024 174 N CA 3.356 56.579 53.050 0.288 0.000 0.853 174 N CB -0.296 38.378 38.487 0.313 0.000 1.008 174 N HN 0.698 9.236 8.380 0.265 0.000 0.424 175 E N 1.082 121.330 120.200 0.080 0.000 2.110 175 E HA -0.392 3.985 4.350 0.045 0.000 0.193 175 E C 1.580 178.157 176.600 -0.039 0.000 0.988 175 E CA 3.073 59.493 56.400 0.034 0.000 0.804 175 E CB -0.692 29.038 29.700 0.051 0.000 0.745 175 E HN 0.412 8.834 8.360 0.104 0.000 0.458 176 E N -1.102 119.063 120.200 -0.057 0.000 2.106 176 E HA -0.299 3.997 4.350 -0.091 0.000 0.192 176 E C 2.550 178.992 176.600 -0.263 0.000 0.984 176 E CA 2.316 58.649 56.400 -0.111 0.000 0.806 176 E CB -0.223 29.439 29.700 -0.062 0.000 0.750 176 E HN -0.582 7.767 8.360 -0.017 0.000 0.458 177 G N 0.145 108.653 108.800 -0.486 0.000 2.418 177 G HA2 -0.292 3.131 3.960 -0.895 0.000 0.217 177 G HA3 -0.292 2.211 3.960 -2.429 0.000 0.217 177 G C 1.302 175.840 174.900 -0.604 0.000 1.158 177 G CA 2.122 46.545 45.100 -1.129 0.000 0.771 177 G HN -0.437 7.608 8.290 -0.408 0.000 0.545 178 I N 1.837 122.215 120.570 -0.319 0.000 2.163 178 I HA -0.464 3.712 4.170 0.010 0.000 0.243 178 I C 1.930 178.016 176.117 -0.051 0.000 1.085 178 I CA 1.743 63.005 61.300 -0.063 0.000 1.347 178 I CB -1.377 36.634 38.000 0.018 0.000 1.044 178 I HN -0.170 7.866 8.210 -0.290 0.000 0.408 179 Q N -0.706 119.042 119.800 -0.087 0.000 2.096 179 Q HA -0.391 3.926 4.340 -0.038 0.000 0.204 179 Q C 2.615 178.559 176.000 -0.095 0.000 0.982 179 Q CA 3.150 58.911 55.803 -0.071 0.000 0.850 179 Q CB -0.391 28.303 28.738 -0.073 0.000 0.901 179 Q HN -0.340 7.866 8.270 -0.107 0.000 0.422 180 R N -0.471 119.917 120.500 -0.187 0.000 2.081 180 R HA -0.231 3.971 4.340 -0.230 0.000 0.235 180 R C 2.561 178.841 176.300 -0.033 0.000 1.131 180 R CA 2.533 58.471 56.100 -0.271 0.000 0.960 180 R CB -0.332 29.510 30.300 -0.764 0.000 0.856 180 R HN -0.445 7.680 8.270 -0.241 0.000 0.436 181 V N 0.210 120.210 119.914 0.144 0.000 2.392 181 V HA -0.411 4.125 4.120 0.415 -0.167 0.249 181 V C 2.250 178.418 176.094 0.123 0.000 1.059 181 V CA 3.963 66.424 62.300 0.268 0.000 1.051 181 V CB -0.093 31.894 31.823 0.273 0.000 0.658 181 V HN -0.373 7.875 8.190 0.097 0.000 0.455 182 L N -5.345 115.912 121.223 0.056 0.000 2.313 182 L HA -0.177 4.176 4.340 0.021 0.000 0.214 182 L C 1.393 178.272 176.870 0.014 0.000 1.119 182 L CA 2.215 57.069 54.840 0.024 0.000 0.809 182 L CB -0.113 41.954 42.059 0.012 0.000 0.933 182 L HN -0.483 7.758 8.230 0.039 0.013 0.449 183 T N -7.215 107.345 114.554 0.010 0.000 3.043 183 T HA 0.101 4.453 4.350 0.003 0.000 0.272 183 T C -0.092 174.616 174.700 0.013 0.000 0.990 183 T CA -0.370 61.730 62.100 0.000 0.000 0.897 183 T CB 0.474 69.329 68.868 -0.021 0.000 1.111 183 T HN -0.370 7.841 8.240 0.008 0.034 0.529 184 S N 0.882 116.610 115.700 0.047 0.000 2.615 184 S HA 0.120 4.629 4.470 0.065 0.000 0.269 184 S C -1.673 173.027 174.600 0.167 0.000 1.161 184 S CA -0.903 57.345 58.200 0.081 0.000 0.817 184 S CB 2.386 65.615 63.200 0.048 0.000 1.131 184 S HN -0.669 7.681 8.310 0.067 0.000 0.467 185 D N 2.502 123.017 120.400 0.192 0.000 2.470 185 D HA 0.089 4.906 4.640 0.296 0.000 0.226 185 D C -1.971 174.556 176.300 0.379 0.000 1.196 185 D CA 0.010 54.174 54.000 0.273 0.000 0.979 185 D CB -1.084 39.840 40.800 0.207 0.000 1.059 185 D HN 0.264 8.727 8.370 0.157 0.000 0.515 186 Y N 4.597 125.076 120.300 0.297 0.000 2.479 186 Y HA 0.594 5.501 4.550 0.207 -0.233 0.338 186 Y C -2.790 173.326 175.900 0.360 0.000 1.055 186 Y CA -1.102 57.148 58.100 0.252 0.000 1.023 186 Y CB 3.833 42.398 38.460 0.175 0.000 1.287 186 Y HN -0.682 7.928 8.280 0.550 0.000 0.447 187 A N 6.501 129.208 122.820 -0.189 0.000 2.317 187 A HA 0.565 5.133 4.320 0.198 -0.129 0.327 187 A C -2.631 174.783 177.584 -0.282 0.000 1.178 187 A CA -2.401 49.554 52.037 -0.138 0.000 0.817 187 A CB 2.909 21.678 19.000 -0.385 0.000 1.189 187 A HN 0.663 8.598 8.150 -0.358 0.000 0.489 188 F N 4.022 123.890 119.950 -0.135 0.000 2.444 188 F HA 0.373 4.804 4.527 -0.160 0.000 0.342 188 F C -2.210 173.588 175.800 -0.003 0.000 1.121 188 F CA -2.908 55.068 58.000 -0.039 0.000 0.997 188 F CB 3.696 42.821 39.000 0.207 0.000 1.130 188 F HN 0.271 8.729 8.300 0.264 0.000 0.454 189 L N 9.596 130.561 121.223 -0.430 0.000 2.315 189 L HA 0.509 4.896 4.340 -0.230 -0.185 0.283 189 L C -1.080 175.431 176.870 -0.600 0.000 1.089 189 L CA -0.494 54.121 54.840 -0.375 0.000 0.833 189 L CB -1.073 40.835 42.059 -0.252 0.000 1.170 189 L HN 0.375 8.365 8.230 -0.400 0.000 0.442 190 M N 1.702 121.099 119.600 -0.337 0.000 2.773 190 M HA 0.487 4.791 4.480 -0.295 0.000 0.270 190 M C -2.293 173.955 176.300 -0.087 0.000 1.238 190 M CA -0.883 54.259 55.300 -0.263 0.000 0.832 190 M CB 3.530 35.988 32.600 -0.237 0.000 1.672 190 M HN 0.286 8.452 8.290 -0.205 0.000 0.480 191 E N 0.369 120.552 120.200 -0.029 0.000 2.373 191 E HA -0.006 4.440 4.350 -0.073 -0.140 0.267 191 E C 1.483 178.115 176.600 0.053 0.000 1.032 191 E CA 0.183 56.578 56.400 -0.009 0.000 0.889 191 E CB 0.826 30.547 29.700 0.033 0.000 0.984 191 E HN 0.531 8.886 8.360 -0.009 0.000 0.425 192 S N 4.202 119.902 115.700 -0.000 0.000 2.382 192 S HA -0.343 4.156 4.470 0.048 0.000 0.228 192 S C 1.656 176.327 174.600 0.117 0.000 1.027 192 S CA 3.616 61.836 58.200 0.032 0.000 0.991 192 S CB 0.231 63.412 63.200 -0.031 0.000 0.823 192 S HN 0.381 8.655 8.310 -0.059 0.000 0.469 193 T N -1.386 113.252 114.554 0.140 0.000 2.867 193 T HA -0.203 4.276 4.350 0.214 0.000 0.268 193 T C 1.736 176.771 174.700 0.557 0.000 1.057 193 T CA 2.856 65.129 62.100 0.288 0.000 1.136 193 T CB -0.397 68.616 68.868 0.241 0.000 0.874 193 T HN 0.037 8.325 8.240 0.080 0.000 0.466 194 T N 4.975 119.801 114.554 0.453 0.000 2.857 194 T HA -0.243 4.391 4.350 0.472 0.000 0.266 194 T C 1.489 176.410 174.700 0.368 0.000 1.048 194 T CA 4.706 67.061 62.100 0.424 0.000 1.139 194 T CB -0.152 68.919 68.868 0.339 0.000 0.874 194 T HN -0.776 7.684 8.240 0.368 0.000 0.455 195 I N 1.932 122.671 120.570 0.281 0.000 2.208 195 I HA -0.513 3.798 4.170 0.236 0.000 0.245 195 I C 1.505 177.769 176.117 0.245 0.000 1.097 195 I CA 4.449 65.889 61.300 0.232 0.000 1.363 195 I CB -0.345 37.752 38.000 0.161 0.000 1.051 195 I HN -0.243 8.112 8.210 0.242 0.000 0.413 196 E N 0.385 120.758 120.200 0.289 0.000 2.058 196 E HA -0.388 4.086 4.350 0.206 0.000 0.194 196 E C 2.286 179.090 176.600 0.341 0.000 0.997 196 E CA 3.017 59.596 56.400 0.298 0.000 0.801 196 E CB -0.111 29.781 29.700 0.321 0.000 0.746 196 E HN -0.426 8.113 8.360 0.298 0.000 0.450 197 F N 0.041 120.165 119.950 0.290 0.000 2.069 197 F HA -0.396 4.156 4.527 0.042 0.000 0.298 197 F C 1.890 177.720 175.800 0.050 0.000 1.113 197 F CA 3.486 61.518 58.000 0.054 0.000 1.214 197 F CB 0.240 39.101 39.000 -0.232 0.000 0.978 197 F HN -0.903 7.797 8.300 0.667 0.000 0.474 198 V N -1.914 118.127 119.914 0.212 0.000 2.358 198 V HA -0.606 3.577 4.120 0.104 0.000 0.246 198 V C 2.106 178.220 176.094 0.034 0.000 1.047 198 V CA 3.988 66.366 62.300 0.130 0.000 1.035 198 V CB 0.146 32.097 31.823 0.212 0.000 0.658 198 V HN -0.261 8.126 8.190 0.330 0.000 0.452 199 T N -2.994 111.597 114.554 0.062 0.000 3.055 199 T HA -0.260 4.238 4.350 0.037 -0.125 0.265 199 T C 1.246 175.942 174.700 -0.006 0.000 1.111 199 T CA 2.554 64.677 62.100 0.039 0.000 1.118 199 T CB 0.074 68.982 68.868 0.067 0.000 0.909 199 T HN -0.111 8.191 8.240 0.103 0.000 0.501 200 Q N 0.369 120.141 119.800 -0.047 0.000 2.311 200 Q HA -0.237 4.078 4.340 -0.041 0.000 0.203 200 Q C 1.271 177.193 176.000 -0.130 0.000 0.954 200 Q CA 2.353 58.107 55.803 -0.082 0.000 0.885 200 Q CB 0.116 28.799 28.738 -0.092 0.000 0.963 200 Q HN -0.622 7.596 8.270 -0.050 0.021 0.471 201 R N -3.141 117.256 120.500 -0.171 0.000 2.282 201 R HA 0.020 4.269 4.340 -0.152 0.000 0.195 201 R C -0.222 176.036 176.300 -0.070 0.000 0.909 201 R CA 0.449 56.454 56.100 -0.158 0.000 1.039 201 R CB 1.295 31.454 30.300 -0.234 0.000 1.015 201 R HN -0.770 7.245 8.270 -0.171 0.152 0.513 202 N N -0.849 117.826 118.700 -0.041 0.000 2.581 202 N HA 0.199 4.929 4.740 -0.016 0.000 0.279 202 N C -0.671 174.836 175.510 -0.006 0.000 1.124 202 N CA 0.022 53.064 53.050 -0.014 0.000 0.833 202 N CB 1.710 40.200 38.487 0.005 0.000 1.338 202 N HN -0.410 7.946 8.380 -0.041 0.000 0.533 203 c N 3.730 122.324 118.600 -0.010 0.000 2.539 203 c HA -0.049 4.519 4.570 -0.004 0.000 0.271 203 c C 0.854 174.941 174.090 -0.005 0.000 1.412 203 c CA 0.272 56.597 56.329 -0.007 0.000 1.729 203 c CB -1.515 40.990 42.510 -0.009 0.000 1.739 203 c HN 0.632 8.855 8.230 -0.012 0.000 0.570 204 N N -0.109 118.587 118.700 -0.007 0.000 2.463 204 N HA -0.021 4.708 4.740 -0.018 0.000 0.181 204 N C -0.860 174.640 175.510 -0.017 0.000 1.078 204 N CA 2.330 55.371 53.050 -0.015 0.000 0.902 204 N CB 0.637 39.114 38.487 -0.018 0.000 0.970 204 N HN -0.095 8.504 8.380 -0.006 -0.223 0.451 205 L N -2.652 118.573 121.223 0.004 0.000 2.322 205 L HA 0.685 5.169 4.340 0.008 -0.139 0.269 205 L C -1.014 175.880 176.870 0.040 0.000 1.012 205 L CA -0.952 53.903 54.840 0.025 0.000 0.815 205 L CB 2.811 44.903 42.059 0.056 0.000 1.295 205 L HN -0.531 7.651 8.230 0.009 0.053 0.438 206 T N -0.550 114.043 114.554 0.065 0.000 2.868 206 T HA 0.356 4.745 4.350 0.064 0.000 0.306 206 T C -2.159 172.602 174.700 0.102 0.000 1.224 206 T CA -2.100 60.044 62.100 0.073 0.000 1.012 206 T CB 2.631 71.534 68.868 0.058 0.000 1.221 206 T HN 0.504 8.791 8.240 0.078 0.000 0.499 207 Q N 4.439 124.291 119.800 0.087 0.000 2.332 207 Q HA 0.328 4.937 4.340 0.094 -0.212 0.263 207 Q C -0.603 175.443 176.000 0.075 0.000 0.979 207 Q CA 0.290 56.142 55.803 0.082 0.000 0.885 207 Q CB 1.038 29.813 28.738 0.062 0.000 1.218 207 Q HN 0.217 8.532 8.270 0.076 0.000 0.405 208 I N 6.046 126.658 120.570 0.070 0.000 2.362 208 I HA 0.135 4.340 4.170 0.058 0.000 0.289 208 I C -0.609 175.519 176.117 0.019 0.000 0.994 208 I CA -1.802 59.529 61.300 0.053 0.000 1.158 208 I CB 0.078 38.111 38.000 0.055 0.000 1.315 208 I HN 0.249 8.499 8.210 0.067 0.000 0.451 209 G N 4.764 113.573 108.800 0.015 0.000 2.698 209 G HA2 -0.347 3.667 3.960 0.006 0.000 0.233 209 G HA3 -0.347 3.614 3.960 0.001 0.000 0.233 209 G C -0.909 173.991 174.900 0.000 0.000 1.352 209 G CA -0.352 44.751 45.100 0.005 0.000 0.879 209 G HN -0.063 8.239 8.290 0.021 0.000 0.567 210 G N -1.157 107.639 108.800 -0.007 0.000 2.782 210 G HA2 0.078 4.028 3.960 -0.017 0.000 0.201 210 G HA3 0.078 4.027 3.960 -0.019 0.000 0.201 210 G C -1.549 173.327 174.900 -0.040 0.000 1.374 210 G CA -1.179 43.910 45.100 -0.019 0.000 1.039 210 G HN -0.031 8.256 8.290 -0.004 0.000 0.576 211 L N -0.971 120.217 121.223 -0.059 0.000 2.326 211 L HA -0.027 4.408 4.340 -0.113 -0.163 0.278 211 L C 0.591 177.392 176.870 -0.114 0.000 1.092 211 L CA -0.120 54.659 54.840 -0.101 0.000 0.810 211 L CB 0.891 42.882 42.059 -0.115 0.000 1.153 211 L HN -0.015 8.183 8.230 -0.053 0.000 0.439 212 I N 0.065 120.522 120.570 -0.188 0.000 2.852 212 I HA 0.041 4.155 4.170 -0.094 0.000 0.264 212 I C 0.096 176.019 176.117 -0.324 0.000 1.179 212 I CA -0.743 60.413 61.300 -0.241 0.000 1.480 212 I CB -0.180 37.557 38.000 -0.438 0.000 1.111 212 I HN 0.669 8.744 8.210 -0.225 0.000 0.441 213 D N -1.775 118.392 120.400 -0.388 0.000 2.752 213 D HA 0.102 4.603 4.640 -0.232 0.000 0.313 213 D C -2.147 173.997 176.300 -0.259 0.000 1.225 213 D CA -1.350 52.437 54.000 -0.355 0.000 0.976 213 D CB 1.982 42.414 40.800 -0.613 0.000 1.443 213 D HN -0.637 7.510 8.370 -0.371 0.000 0.515 214 S N -0.666 114.906 115.700 -0.215 0.000 2.659 214 S HA 0.552 5.025 4.470 -0.190 -0.117 0.312 214 S C -0.664 173.818 174.600 -0.197 0.000 1.114 214 S CA -0.934 57.156 58.200 -0.182 0.000 1.063 214 S CB 1.421 64.543 63.200 -0.129 0.000 0.996 214 S HN -0.002 8.189 8.310 -0.200 0.000 0.478 215 K N 3.417 123.676 120.400 -0.235 0.000 2.548 215 K HA 0.344 4.535 4.320 -0.216 0.000 0.282 215 K C -2.775 173.633 176.600 -0.319 0.000 1.006 215 K CA -1.636 54.498 56.287 -0.254 0.000 0.892 215 K CB 2.716 35.062 32.500 -0.258 0.000 1.499 215 K HN 0.265 8.363 8.250 -0.253 0.000 0.433 216 G N -2.507 106.093 108.800 -0.333 0.000 2.498 216 G HA2 0.649 4.602 3.960 -0.473 0.000 0.312 216 G HA3 0.649 4.395 3.960 -0.333 0.014 0.312 216 G C -2.046 172.594 174.900 -0.433 0.000 1.230 216 G CA -1.532 43.325 45.100 -0.405 0.000 0.968 216 G HN 0.053 8.163 8.290 -0.300 0.000 0.481 217 Y N -0.527 119.470 120.300 -0.504 0.000 2.308 217 Y HA 0.551 5.013 4.550 -0.464 -0.190 0.329 217 Y C -0.300 175.116 175.900 -0.807 0.000 1.111 217 Y CA -2.328 55.368 58.100 -0.673 0.000 1.179 217 Y CB 1.096 39.011 38.460 -0.908 0.000 1.201 217 Y HN -0.009 7.892 8.280 -0.633 0.000 0.483 218 G N -0.348 108.346 108.800 -0.177 0.000 2.642 218 G HA2 0.579 4.619 3.960 0.134 0.000 0.293 218 G HA3 0.579 4.647 3.960 0.180 0.000 0.293 218 G C -2.180 173.016 174.900 0.495 0.000 1.341 218 G CA -1.415 43.777 45.100 0.154 0.000 0.916 218 G HN -0.098 8.172 8.290 -0.034 0.000 0.474 219 V N 0.990 121.199 119.914 0.491 0.000 2.521 219 V HA -0.159 4.270 4.120 0.281 -0.140 0.286 219 V C -0.001 176.191 176.094 0.163 0.000 1.034 219 V CA 0.752 63.226 62.300 0.291 0.000 1.045 219 V CB 0.482 32.410 31.823 0.175 0.000 0.974 219 V HN -0.039 8.436 8.190 0.475 0.000 0.480 220 G N 6.330 115.119 108.800 -0.018 0.000 2.395 220 G HA2 0.496 4.280 3.960 -0.565 0.000 0.283 220 G HA3 0.496 4.203 3.960 -0.421 0.000 0.283 220 G C -2.061 172.679 174.900 -0.267 0.000 1.178 220 G CA -1.207 43.689 45.100 -0.340 0.000 0.837 220 G HN 0.105 8.397 8.290 0.003 0.000 0.518 221 T N -1.354 113.014 114.554 -0.309 0.000 2.883 221 T HA 0.704 4.910 4.350 -0.241 0.000 0.296 221 T C -2.507 172.030 174.700 -0.272 0.000 1.117 221 T CA -3.463 58.494 62.100 -0.239 0.000 1.006 221 T CB 1.810 70.597 68.868 -0.135 0.000 1.191 221 T HN 0.301 8.309 8.240 -0.386 0.000 0.508 222 P HA -0.006 4.267 4.420 -0.245 0.000 0.269 222 P C -0.729 176.474 177.300 -0.162 0.000 1.215 222 P CA 0.180 63.125 63.100 -0.259 0.000 0.780 222 P CB 0.588 31.996 31.700 -0.486 0.000 0.898 223 M N 4.318 123.850 119.600 -0.114 0.000 2.260 223 M HA -0.634 3.937 4.480 -0.090 -0.146 0.348 223 M C 1.131 177.415 176.300 -0.025 0.000 1.342 223 M CA 2.453 57.710 55.300 -0.073 0.000 1.040 223 M CB 0.144 32.706 32.600 -0.064 0.000 1.810 223 M HN 0.471 8.693 8.290 -0.113 0.000 0.453 224 G N 4.768 113.551 108.800 -0.028 0.000 2.175 224 G HA2 -0.452 3.501 3.960 -0.013 0.000 0.244 224 G HA3 -0.452 3.510 3.960 0.003 0.000 0.244 224 G C -0.781 174.109 174.900 -0.016 0.000 0.982 224 G CA -0.424 44.669 45.100 -0.011 0.000 0.641 224 G HN 0.580 9.196 8.290 -0.037 -0.347 0.527 225 S N 2.152 117.834 115.700 -0.030 0.000 2.549 225 S HA 0.236 4.698 4.470 -0.014 0.000 0.286 225 S C 0.409 174.991 174.600 -0.030 0.000 1.314 225 S CA -2.315 55.872 58.200 -0.021 0.000 1.062 225 S CB 0.914 64.104 63.200 -0.017 0.000 0.865 225 S HN -0.583 7.655 8.310 -0.047 0.044 0.498 226 P HA 0.031 4.392 4.420 -0.098 0.000 0.229 226 P C 0.395 177.581 177.300 -0.189 0.000 1.160 226 P CA 1.220 64.231 63.100 -0.149 0.000 0.777 226 P CB 0.128 31.690 31.700 -0.229 0.000 0.814 227 Y N -1.153 119.112 120.300 -0.059 0.000 2.421 227 Y HA -0.302 4.227 4.550 -0.035 0.000 0.292 227 Y C 1.821 177.701 175.900 -0.034 0.000 1.136 227 Y CA 3.191 61.255 58.100 -0.059 0.000 1.255 227 Y CB -0.628 37.755 38.460 -0.129 0.000 0.991 227 Y HN -0.448 7.805 8.280 0.005 0.029 0.552 228 R N -0.545 120.007 120.500 0.087 0.000 2.082 228 R HA -0.460 3.924 4.340 0.074 0.000 0.234 228 R C 1.586 177.927 176.300 0.067 0.000 1.136 228 R CA 4.047 60.185 56.100 0.064 0.000 0.935 228 R CB -0.506 29.811 30.300 0.028 0.000 0.842 228 R HN -0.837 7.436 8.270 0.057 0.032 0.430 229 D N -2.785 117.638 120.400 0.040 0.000 2.183 229 D HA -0.148 4.519 4.640 0.045 0.000 0.203 229 D C 2.155 178.483 176.300 0.047 0.000 0.969 229 D CA 3.084 57.106 54.000 0.037 0.000 0.842 229 D CB -0.786 40.023 40.800 0.015 0.000 0.957 229 D HN 0.171 8.554 8.370 0.022 0.000 0.484 230 K N 0.287 120.717 120.400 0.049 0.000 2.057 230 K HA -0.277 4.077 4.320 0.056 0.000 0.207 230 K C 2.576 179.243 176.600 0.111 0.000 1.049 230 K CA 3.328 59.660 56.287 0.075 0.000 0.931 230 K CB -0.004 32.542 32.500 0.077 0.000 0.714 230 K HN -0.924 7.347 8.250 0.034 0.000 0.440 231 I N -0.475 120.177 120.570 0.138 0.000 2.315 231 I HA -0.461 3.797 4.170 0.147 0.000 0.248 231 I C 1.562 177.744 176.117 0.109 0.000 1.117 231 I CA 3.804 65.186 61.300 0.137 0.000 1.404 231 I CB -0.198 37.887 38.000 0.142 0.000 1.071 231 I HN -0.015 8.281 8.210 0.143 0.000 0.419 232 T N 3.248 117.861 114.554 0.099 0.000 2.665 232 T HA -0.453 3.958 4.350 0.102 0.000 0.268 232 T C 1.786 176.525 174.700 0.065 0.000 1.035 232 T CA 5.522 67.674 62.100 0.086 0.000 1.151 232 T CB -0.155 68.756 68.868 0.072 0.000 0.862 232 T HN -0.401 7.897 8.240 0.097 0.000 0.438 233 L N -0.537 120.718 121.223 0.053 0.000 2.046 233 L HA -0.368 3.990 4.340 0.029 0.000 0.208 233 L C 1.729 178.612 176.870 0.020 0.000 1.077 233 L CA 3.077 57.937 54.840 0.034 0.000 0.747 233 L CB -0.439 41.639 42.059 0.032 0.000 0.896 233 L HN -0.508 7.756 8.230 0.057 0.000 0.432 234 A N -0.500 122.337 122.820 0.029 0.000 1.933 234 A HA -0.329 3.957 4.320 -0.057 0.000 0.218 234 A C 2.064 179.630 177.584 -0.030 0.000 1.175 234 A CA 3.085 55.112 52.037 -0.016 0.000 0.628 234 A CB -0.936 18.076 19.000 0.020 0.000 0.814 234 A HN -0.429 7.753 8.150 0.053 0.000 0.444 235 I N -1.441 119.145 120.570 0.027 0.000 2.179 235 I HA -0.619 3.572 4.170 0.034 0.000 0.242 235 I C 1.699 177.838 176.117 0.038 0.000 1.088 235 I CA 4.517 65.848 61.300 0.052 0.000 1.357 235 I CB 0.044 38.121 38.000 0.128 0.000 1.051 235 I HN -0.248 7.994 8.210 0.053 0.000 0.409 236 L N -0.952 120.291 121.223 0.034 0.000 2.083 236 L HA -0.366 4.164 4.340 0.034 -0.169 0.209 236 L C 2.508 179.378 176.870 0.000 0.000 1.083 236 L CA 2.819 57.673 54.840 0.024 0.000 0.752 236 L CB -0.444 41.629 42.059 0.024 0.000 0.899 236 L HN -0.263 7.990 8.230 0.039 0.000 0.433 237 K N -0.440 119.944 120.400 -0.025 0.000 2.057 237 K HA -0.291 4.009 4.320 -0.033 0.000 0.206 237 K C 2.627 179.185 176.600 -0.070 0.000 1.050 237 K CA 3.172 59.428 56.287 -0.053 0.000 0.935 237 K CB -0.069 32.380 32.500 -0.085 0.000 0.715 237 K HN -0.551 7.682 8.250 -0.027 0.000 0.439 238 L N -1.881 119.289 121.223 -0.088 0.000 2.042 238 L HA -0.341 4.090 4.340 -0.103 -0.153 0.210 238 L C 2.622 179.469 176.870 -0.039 0.000 1.076 238 L CA 2.905 57.697 54.840 -0.080 0.000 0.749 238 L CB -0.113 41.903 42.059 -0.073 0.000 0.893 238 L HN -0.289 7.886 8.230 -0.092 0.000 0.432 239 Q N -3.200 116.598 119.800 -0.003 0.000 2.291 239 Q HA -0.303 4.052 4.340 0.026 0.000 0.205 239 Q C 2.115 178.127 176.000 0.021 0.000 0.970 239 Q CA 2.551 58.368 55.803 0.024 0.000 0.876 239 Q CB -0.258 28.509 28.738 0.048 0.000 0.935 239 Q HN -0.291 7.897 8.270 0.004 0.084 0.455 240 E N -1.228 118.975 120.200 0.006 0.000 2.153 240 E HA -0.231 4.131 4.350 0.019 0.000 0.194 240 E C 1.412 178.018 176.600 0.011 0.000 0.988 240 E CA 2.042 58.448 56.400 0.010 0.000 0.811 240 E CB -0.028 29.672 29.700 0.000 0.000 0.746 240 E HN -0.572 7.658 8.360 -0.004 0.128 0.466 241 Q N -3.884 115.910 119.800 -0.010 0.000 2.360 241 Q HA 0.054 4.390 4.340 -0.006 0.000 0.202 241 Q C 0.705 176.674 176.000 -0.053 0.000 0.915 241 Q CA -0.331 55.459 55.803 -0.022 0.000 0.943 241 Q CB 0.586 29.302 28.738 -0.037 0.000 1.064 241 Q HN -0.667 7.440 8.270 -0.020 0.151 0.511 242 G N -0.042 108.716 108.800 -0.070 0.000 2.180 242 G HA2 -0.443 3.414 3.960 -0.170 0.000 0.263 242 G HA3 -0.443 3.370 3.960 -0.245 0.000 0.263 242 G C 0.555 175.116 174.900 -0.565 0.000 0.989 242 G CA 1.222 46.144 45.100 -0.297 0.000 0.692 242 G HN -0.365 7.906 8.290 -0.033 0.000 0.526 243 K N -0.629 119.623 120.400 -0.246 0.000 2.097 243 K HA -0.214 4.002 4.320 -0.173 0.000 0.205 243 K C 1.686 178.206 176.600 -0.133 0.000 1.050 243 K CA 2.283 58.467 56.287 -0.172 0.000 0.938 243 K CB -0.178 32.267 32.500 -0.092 0.000 0.718 243 K HN -0.479 7.614 8.250 -0.157 0.063 0.442 244 L N -3.635 117.541 121.223 -0.079 0.000 2.109 244 L HA -0.254 4.123 4.340 0.063 0.000 0.207 244 L C 1.474 178.434 176.870 0.150 0.000 1.086 244 L CA 3.144 58.026 54.840 0.071 0.000 0.760 244 L CB -0.744 41.415 42.059 0.166 0.000 0.910 244 L HN -0.109 8.075 8.230 -0.077 0.000 0.437 245 H N -3.116 116.028 119.070 0.123 0.000 2.423 245 H HA -0.257 4.361 4.556 0.103 0.000 0.297 245 H C 1.471 176.866 175.328 0.113 0.000 1.075 245 H CA 2.245 58.351 56.048 0.098 0.000 1.342 245 H CB -0.387 29.403 29.762 0.047 0.000 1.395 245 H HN -0.301 7.901 8.280 -0.129 0.000 0.530 246 M N 0.535 120.105 119.600 -0.049 0.000 2.117 246 M HA -0.307 4.443 4.480 0.154 -0.178 0.262 246 M C 2.403 178.786 176.300 0.139 0.000 1.065 246 M CA 3.762 59.100 55.300 0.063 0.000 1.114 246 M CB 0.054 32.631 32.600 -0.039 0.000 1.361 246 M HN -0.568 7.494 8.290 -0.380 0.000 0.408 247 M N -0.305 119.388 119.600 0.156 0.000 2.175 247 M HA -0.449 4.177 4.480 0.244 0.000 0.264 247 M C 1.449 178.100 176.300 0.586 0.000 1.063 247 M CA 4.081 59.547 55.300 0.277 0.000 1.119 247 M CB 0.001 32.634 32.600 0.056 0.000 1.377 247 M HN -0.405 7.944 8.290 0.098 0.000 0.415 248 K N -0.501 120.232 120.400 0.556 0.000 2.026 248 K HA -0.431 4.275 4.320 0.644 0.000 0.208 248 K C 1.803 178.664 176.600 0.434 0.000 1.048 248 K CA 3.752 60.306 56.287 0.444 0.000 0.929 248 K CB -0.191 32.318 32.500 0.015 0.000 0.713 248 K HN -0.263 8.261 8.250 0.456 0.000 0.439 249 E N -1.119 119.256 120.200 0.293 0.000 2.110 249 E HA -0.412 4.090 4.350 0.254 0.000 0.193 249 E C 1.796 178.527 176.600 0.218 0.000 0.988 249 E CA 3.061 59.607 56.400 0.242 0.000 0.804 249 E CB -0.079 29.724 29.700 0.171 0.000 0.745 249 E HN -0.353 8.164 8.360 0.262 0.000 0.458 250 K N -1.026 119.471 120.400 0.161 0.000 2.032 250 K HA -0.277 3.991 4.320 -0.087 0.000 0.209 250 K C 2.102 178.621 176.600 -0.135 0.000 1.048 250 K CA 2.543 58.791 56.287 -0.066 0.000 0.927 250 K CB -0.105 32.273 32.500 -0.203 0.000 0.712 250 K HN -0.499 7.865 8.250 0.191 0.000 0.441 251 W N -4.145 117.363 121.300 0.347 0.000 2.942 251 W HA -0.056 4.703 4.660 0.165 0.000 0.263 251 W C 1.008 177.693 176.519 0.277 0.000 1.296 251 W CA 0.917 58.420 57.345 0.265 0.000 1.504 251 W CB 0.765 30.366 29.460 0.235 0.000 1.096 251 W HN -0.781 7.755 8.180 0.594 0.000 0.639 252 W N -4.043 117.454 121.300 0.328 0.000 3.211 252 W HA 0.007 4.985 4.660 0.529 0.000 0.292 252 W C 0.185 176.802 176.519 0.164 0.000 1.268 252 W CA -0.050 57.493 57.345 0.329 0.000 1.702 252 W CB 1.192 30.803 29.460 0.252 0.000 1.092 252 W HN -0.133 8.550 8.180 0.839 0.000 0.643 253 R N 0.904 121.571 120.500 0.279 0.000 2.585 253 R HA -0.299 4.122 4.340 0.136 0.000 0.275 253 R C -0.762 175.578 176.300 0.066 0.000 1.018 253 R CA 1.527 57.708 56.100 0.134 0.000 1.072 253 R CB 0.542 30.884 30.300 0.070 0.000 0.953 253 R HN -0.636 7.802 8.270 0.280 0.000 0.419 257 c N 0.000 118.592 118.600 -0.013 0.000 2.653 257 c HA 0.000 4.563 4.570 -0.011 0.000 0.325 257 c CA 0.000 56.324 56.329 -0.009 0.000 1.963 257 c CB 0.000 42.505 42.510 -0.008 0.000 2.134 257 c HN 0.000 8.225 8.230 -0.009 0.000 0.568