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 1h55_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 1 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 1 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 2 L N 0.877 122.071 121.223 -0.047 0.000 2.439 2 L HA 0.710 5.683 4.340 1.055 0.000 0.269 2 L C 0.388 177.241 176.870 -0.028 0.000 1.179 2 L CA -0.108 54.685 54.840 -0.077 0.000 0.828 2 L CB 1.031 43.042 42.059 -0.080 0.000 1.106 2 L HN 0.605 nan 8.230 nan 0.000 0.467 3 T N 1.302 115.845 114.554 -0.020 0.000 2.952 3 T HA 0.384 5.367 4.350 1.055 0.000 0.305 3 T C -2.276 172.444 174.700 0.033 0.000 1.064 3 T CA -1.506 60.609 62.100 0.027 0.000 1.008 3 T CB 2.034 70.938 68.868 0.060 0.000 1.078 3 T HN 0.234 nan 8.240 nan 0.000 0.459 4 P HA 0.001 nan 4.420 nan 0.000 0.222 4 P C 1.203 178.531 177.300 0.047 0.000 1.147 4 P CA 0.979 64.101 63.100 0.037 0.000 0.790 4 P CB 0.046 31.770 31.700 0.040 0.000 0.780 5 T N -5.733 108.847 114.554 0.045 0.000 3.144 5 T HA 0.070 5.053 4.350 1.055 0.000 0.249 5 T C 1.390 176.097 174.700 0.011 0.000 1.089 5 T CA -0.333 61.785 62.100 0.031 0.000 0.989 5 T CB -1.275 67.599 68.868 0.011 0.000 0.992 5 T HN -0.117 nan 8.240 nan 0.000 0.540 6 F N 2.139 121.982 119.950 -0.179 0.000 2.141 6 F HA -0.175 4.985 4.527 1.056 0.000 0.300 6 F C 0.989 176.553 175.800 -0.394 0.000 1.079 6 F CA 1.407 59.197 58.000 -0.350 0.000 1.264 6 F CB -0.214 38.440 39.000 -0.577 0.000 1.011 6 F HN 0.273 nan 8.300 nan 0.000 0.487 7 Y N -0.731 119.616 120.300 0.078 0.000 2.555 7 Y HA 0.152 5.334 4.550 1.054 0.000 0.259 7 Y C 1.505 177.385 175.900 -0.034 0.000 1.179 7 Y CA -0.585 57.511 58.100 -0.007 0.000 1.230 7 Y CB -0.712 37.791 38.460 0.071 0.000 1.146 7 Y HN -0.034 nan 8.280 nan 0.000 0.526 8 D N -0.076 120.362 120.400 0.063 0.000 2.309 8 D HA -0.141 5.132 4.640 1.055 0.000 0.212 8 D C 1.169 177.475 176.300 0.010 0.000 0.968 8 D CA 1.232 55.252 54.000 0.034 0.000 0.882 8 D CB 0.046 40.852 40.800 0.010 0.000 0.918 8 D HN 0.531 nan 8.370 nan 0.000 0.503 9 N N -0.919 117.772 118.700 -0.014 0.000 2.545 9 N HA -0.050 5.323 4.740 1.055 0.000 0.190 9 N C 1.708 177.212 175.510 -0.009 0.000 1.043 9 N CA 0.519 53.554 53.050 -0.024 0.000 0.879 9 N CB 0.420 38.874 38.487 -0.056 0.000 1.210 9 N HN 0.005 nan 8.380 nan 0.000 0.437 10 S N -0.821 114.881 115.700 0.004 0.000 2.436 10 S HA 0.046 5.149 4.470 1.055 0.000 0.228 10 S C 1.009 175.637 174.600 0.047 0.000 1.014 10 S CA 0.073 58.291 58.200 0.031 0.000 0.950 10 S CB 0.206 63.439 63.200 0.055 0.000 0.784 10 S HN 0.334 nan 8.310 nan 0.000 0.504 11 c N 2.743 121.386 118.600 0.072 0.000 3.079 11 c HA 0.423 5.626 4.570 1.055 0.000 0.246 11 c C -1.948 172.159 174.090 0.028 0.000 1.025 11 c CA -1.164 55.173 56.329 0.013 0.000 1.081 11 c CB 0.837 43.296 42.510 -0.084 0.000 1.757 11 c HN 0.342 nan 8.230 nan 0.000 0.646 12 P HA -0.131 nan 4.420 nan 0.000 0.219 12 P C 0.642 177.944 177.300 0.003 0.000 1.146 12 P CA 1.607 64.721 63.100 0.024 0.000 0.808 12 P CB 0.004 31.711 31.700 0.012 0.000 0.779 13 N N -0.596 118.096 118.700 -0.014 0.000 2.322 13 N HA 0.017 5.389 4.740 1.055 0.000 0.194 13 N C 1.629 177.113 175.510 -0.044 0.000 1.126 13 N CA -0.332 52.703 53.050 -0.026 0.000 0.845 13 N CB 0.126 38.597 38.487 -0.026 0.000 0.976 13 N HN -0.053 nan 8.380 nan 0.000 0.475 14 V N 1.307 121.187 119.914 -0.057 0.000 2.287 14 V HA -0.280 4.473 4.120 1.055 0.000 0.248 14 V C 2.422 178.468 176.094 -0.079 0.000 1.053 14 V CA 2.547 64.791 62.300 -0.094 0.000 1.027 14 V CB -0.487 31.236 31.823 -0.167 0.000 0.646 14 V HN 0.427 nan 8.190 nan 0.000 0.447 15 S N 0.071 115.735 115.700 -0.060 0.000 2.382 15 S HA -0.233 4.870 4.470 1.055 0.000 0.228 15 S C 1.656 176.214 174.600 -0.069 0.000 1.027 15 S CA 1.963 60.120 58.200 -0.073 0.000 0.991 15 S CB -1.065 62.092 63.200 -0.071 0.000 0.823 15 S HN 0.770 nan 8.310 nan 0.000 0.469 16 N N 1.444 120.112 118.700 -0.054 0.000 2.216 16 N HA 0.110 5.482 4.740 1.055 0.000 0.183 16 N C 1.571 177.053 175.510 -0.046 0.000 1.017 16 N CA 1.273 54.295 53.050 -0.046 0.000 0.861 16 N CB -0.236 38.230 38.487 -0.035 0.000 0.986 16 N HN 0.283 nan 8.380 nan 0.000 0.428 17 I N 0.442 120.982 120.570 -0.049 0.000 2.252 17 I HA -0.149 4.654 4.170 1.055 0.000 0.245 17 I C 2.012 178.098 176.117 -0.051 0.000 1.102 17 I CA 0.950 62.222 61.300 -0.047 0.000 1.385 17 I CB -1.041 36.928 38.000 -0.052 0.000 1.064 17 I HN 0.001 nan 8.210 nan 0.000 0.414 18 V N 1.068 120.944 119.914 -0.063 0.000 2.295 18 V HA -0.267 4.486 4.120 1.055 0.000 0.246 18 V C 2.787 178.845 176.094 -0.061 0.000 1.049 18 V CA 1.988 64.248 62.300 -0.067 0.000 1.024 18 V CB -0.794 30.978 31.823 -0.086 0.000 0.648 18 V HN 0.383 nan 8.190 nan 0.000 0.447 19 R N 0.100 120.562 120.500 -0.064 0.000 2.083 19 R HA -0.213 4.760 4.340 1.055 0.000 0.237 19 R C 2.054 178.330 176.300 -0.040 0.000 1.137 19 R CA 2.258 58.324 56.100 -0.057 0.000 0.951 19 R CB -0.428 29.837 30.300 -0.058 0.000 0.851 19 R HN 0.491 nan 8.270 nan 0.000 0.434 20 D N -0.471 119.908 120.400 -0.036 0.000 2.123 20 D HA -0.129 5.144 4.640 1.055 0.000 0.196 20 D C 1.764 178.050 176.300 -0.024 0.000 0.992 20 D CA 1.825 55.809 54.000 -0.026 0.000 0.833 20 D CB -0.403 40.382 40.800 -0.025 0.000 0.954 20 D HN 0.291 nan 8.370 nan 0.000 0.455 21 T N 0.700 115.237 114.554 -0.028 0.000 2.746 21 T HA -0.070 4.913 4.350 1.055 0.000 0.267 21 T C 2.186 176.872 174.700 -0.023 0.000 1.039 21 T CA 0.655 62.740 62.100 -0.025 0.000 1.142 21 T CB -0.159 68.692 68.868 -0.028 0.000 0.866 21 T HN 0.181 nan 8.240 nan 0.000 0.444 22 I N 0.750 121.303 120.570 -0.028 0.000 2.252 22 I HA -0.116 4.687 4.170 1.055 0.000 0.245 22 I C 2.465 178.573 176.117 -0.015 0.000 1.102 22 I CA 0.738 62.023 61.300 -0.025 0.000 1.385 22 I CB -0.506 37.475 38.000 -0.031 0.000 1.064 22 I HN 0.078 nan 8.210 nan 0.000 0.414 23 V N 1.420 121.325 119.914 -0.014 0.000 2.287 23 V HA -0.321 4.432 4.120 1.055 0.000 0.248 23 V C 2.023 178.115 176.094 -0.004 0.000 1.053 23 V CA 2.376 64.672 62.300 -0.007 0.000 1.027 23 V CB -1.001 30.817 31.823 -0.008 0.000 0.646 23 V HN 0.491 nan 8.190 nan 0.000 0.447 24 N N -0.282 118.414 118.700 -0.007 0.000 2.106 24 N HA -0.221 5.152 4.740 1.055 0.000 0.188 24 N C 1.946 177.453 175.510 -0.004 0.000 1.029 24 N CA 1.217 54.264 53.050 -0.005 0.000 0.848 24 N CB -0.121 38.362 38.487 -0.007 0.000 1.007 24 N HN 0.442 nan 8.380 nan 0.000 0.423 25 E N 1.576 121.771 120.200 -0.007 0.000 2.110 25 E HA -0.064 4.919 4.350 1.055 0.000 0.193 25 E C 1.810 178.407 176.600 -0.005 0.000 0.988 25 E CA 0.791 57.186 56.400 -0.008 0.000 0.804 25 E CB -0.265 29.427 29.700 -0.014 0.000 0.745 25 E HN 0.299 nan 8.360 nan 0.000 0.458 26 L N 0.129 121.350 121.223 -0.003 0.000 2.261 26 L HA -0.173 4.800 4.340 1.055 0.000 0.216 26 L C 2.483 179.358 176.870 0.008 0.000 1.114 26 L CA 1.114 55.956 54.840 0.004 0.000 0.777 26 L CB -0.253 41.813 42.059 0.012 0.000 0.910 26 L HN 0.129 nan 8.230 nan 0.000 0.440 27 R N -0.652 119.852 120.500 0.007 0.000 2.115 27 R HA -0.103 4.870 4.340 1.055 0.000 0.230 27 R C 2.368 178.672 176.300 0.008 0.000 1.111 27 R CA 1.673 57.778 56.100 0.008 0.000 0.976 27 R CB -0.195 30.109 30.300 0.007 0.000 0.870 27 R HN 0.468 nan 8.270 nan 0.000 0.445 28 S N -0.857 114.846 115.700 0.005 0.000 2.502 28 S HA 0.004 5.107 4.470 1.055 0.000 0.215 28 S C 0.194 174.796 174.600 0.004 0.000 1.009 28 S CA -0.167 58.036 58.200 0.005 0.000 0.908 28 S CB 0.536 63.739 63.200 0.004 0.000 0.801 28 S HN 0.072 nan 8.310 nan 0.000 0.505 29 D N 1.934 122.334 120.400 0.001 0.000 2.346 29 D HA 0.356 5.628 4.640 1.055 0.000 0.255 29 D C -2.210 174.086 176.300 -0.006 0.000 1.276 29 D CA -2.048 51.949 54.000 -0.004 0.000 0.941 29 D CB 1.844 42.637 40.800 -0.011 0.000 1.199 29 D HN -0.030 nan 8.370 nan 0.000 0.537 30 P HA -0.100 nan 4.420 nan 0.000 0.231 30 P C 1.096 178.390 177.300 -0.010 0.000 1.158 30 P CA 0.352 63.457 63.100 0.009 0.000 0.763 30 P CB 0.378 32.092 31.700 0.023 0.000 0.805 31 R N -0.448 120.033 120.500 -0.032 0.000 2.280 31 R HA 0.068 5.041 4.340 1.055 0.000 0.195 31 R C 2.058 178.286 176.300 -0.120 0.000 0.935 31 R CA -0.088 55.966 56.100 -0.077 0.000 1.033 31 R CB -0.529 29.739 30.300 -0.053 0.000 0.964 31 R HN -0.029 nan 8.270 nan 0.000 0.489 32 I N 1.376 121.897 120.570 -0.081 0.000 2.264 32 I HA -0.226 4.577 4.170 1.055 0.000 0.248 32 I C 1.988 178.042 176.117 -0.105 0.000 1.111 32 I CA 1.536 62.784 61.300 -0.087 0.000 1.382 32 I CB -0.235 37.733 38.000 -0.054 0.000 1.060 32 I HN 0.245 nan 8.210 nan 0.000 0.418 33 A N 0.230 122.996 122.820 -0.090 0.000 1.902 33 A HA -0.087 4.866 4.320 1.055 0.000 0.217 33 A C 2.510 179.990 177.584 -0.173 0.000 1.181 33 A CA 1.825 53.835 52.037 -0.044 0.000 0.623 33 A CB -1.283 17.774 19.000 0.095 0.000 0.818 33 A HN 0.513 nan 8.150 nan 0.000 0.443 34 A N -0.468 122.020 122.820 -0.553 0.000 1.902 34 A HA -0.067 4.886 4.320 1.055 0.000 0.217 34 A C 2.439 179.814 177.584 -0.348 0.000 1.181 34 A CA 2.075 53.549 52.037 -0.939 0.000 0.623 34 A CB -0.908 17.398 19.000 -1.156 0.000 0.818 34 A HN 0.461 nan 8.150 nan 0.000 0.443 35 S N -0.073 115.479 115.700 -0.246 0.000 2.368 35 S HA -0.118 4.985 4.470 1.055 0.000 0.225 35 S C 1.789 176.300 174.600 -0.149 0.000 1.030 35 S CA 1.526 59.622 58.200 -0.173 0.000 0.999 35 S CB -0.487 62.618 63.200 -0.159 0.000 0.844 35 S HN 0.544 nan 8.310 nan 0.000 0.459 36 I N 0.952 121.452 120.570 -0.116 0.000 2.252 36 I HA -0.145 4.658 4.170 1.055 0.000 0.245 36 I C 2.312 178.433 176.117 0.006 0.000 1.102 36 I CA 0.691 61.947 61.300 -0.074 0.000 1.385 36 I CB -0.323 37.642 38.000 -0.059 0.000 1.064 36 I HN 0.243 nan 8.210 nan 0.000 0.414 37 L N 1.142 122.401 121.223 0.060 0.000 2.042 37 L HA -0.211 4.762 4.340 1.055 0.000 0.210 37 L C 2.600 179.580 176.870 0.185 0.000 1.076 37 L CA 1.844 56.793 54.840 0.182 0.000 0.749 37 L CB -0.727 41.528 42.059 0.326 0.000 0.893 37 L HN 0.092 nan 8.230 nan 0.000 0.432 38 R N -0.732 119.815 120.500 0.078 0.000 2.120 38 R HA -0.120 4.853 4.340 1.055 0.000 0.234 38 R C 2.294 178.555 176.300 -0.065 0.000 1.123 38 R CA 1.537 57.653 56.100 0.027 0.000 0.975 38 R CB -0.288 29.949 30.300 -0.104 0.000 0.866 38 R HN 0.468 nan 8.270 nan 0.000 0.446 39 L N -0.587 120.597 121.223 -0.064 0.000 2.046 39 L HA -0.223 4.750 4.340 1.055 0.000 0.208 39 L C 2.536 179.462 176.870 0.093 0.000 1.077 39 L CA 1.628 56.441 54.840 -0.045 0.000 0.747 39 L CB -0.623 41.374 42.059 -0.103 0.000 0.896 39 L HN 0.347 nan 8.230 nan 0.000 0.432 40 H N -0.214 118.885 119.070 0.048 0.000 2.353 40 H HA -0.255 4.934 4.556 1.056 0.000 0.300 40 H C 1.919 177.347 175.328 0.167 0.000 1.090 40 H CA 1.803 57.908 56.048 0.095 0.000 1.327 40 H CB -0.203 29.615 29.762 0.092 0.000 1.383 40 H HN 0.282 nan 8.280 nan 0.000 0.508 41 F N 0.745 120.672 119.950 -0.038 0.000 2.075 41 F HA -0.177 4.977 4.527 1.045 0.000 0.297 41 F C 2.132 177.945 175.800 0.022 0.000 1.113 41 F CA 2.187 60.130 58.000 -0.094 0.000 1.218 41 F CB -1.117 37.821 39.000 -0.103 0.000 0.984 41 F HN 0.351 nan 8.300 nan 0.000 0.472 42 H N -1.361 117.402 119.070 -0.512 0.000 2.521 42 H HA -0.122 5.064 4.556 1.051 0.000 0.286 42 H C 1.591 176.797 175.328 -0.204 0.000 1.034 42 H CA 0.722 56.451 56.048 -0.532 0.000 1.278 42 H CB 0.001 29.567 29.762 -0.327 0.000 1.386 42 H HN 0.361 nan 8.280 nan 0.000 0.567 43 D N 0.317 120.730 120.400 0.022 0.000 2.110 43 D HA -0.105 5.167 4.640 1.055 0.000 0.202 43 D C 2.159 178.458 176.300 -0.002 0.000 0.975 43 D CA 0.785 54.810 54.000 0.041 0.000 0.839 43 D CB -0.465 40.387 40.800 0.086 0.000 0.996 43 D HN 0.221 nan 8.370 nan 0.000 0.464 44 c N -0.062 118.513 118.600 -0.041 0.000 2.419 44 c HA -0.050 5.153 4.570 1.055 0.000 0.281 44 c C 2.282 176.385 174.090 0.021 0.000 1.336 44 c CA 0.107 56.417 56.329 -0.032 0.000 1.770 44 c CB -1.566 40.895 42.510 -0.083 0.000 1.929 44 c HN 0.269 nan 8.230 nan 0.000 0.509 45 F N 0.430 120.257 119.950 -0.205 0.000 2.811 45 F HA 0.162 5.323 4.527 1.057 0.000 0.301 45 F C 0.717 176.397 175.800 -0.200 0.000 1.151 45 F CA 0.620 58.489 58.000 -0.218 0.000 1.412 45 F CB 0.032 38.845 39.000 -0.311 0.000 1.113 45 F HN -0.047 nan 8.300 nan 0.000 0.579 46 V N 0.271 120.152 119.914 -0.054 0.000 2.398 46 V HA 0.231 4.984 4.120 1.055 0.000 0.282 46 V C 0.187 176.158 176.094 -0.205 0.000 1.014 46 V CA -1.015 61.217 62.300 -0.112 0.000 0.838 46 V CB 0.948 32.747 31.823 -0.039 0.000 1.018 46 V HN 0.276 nan 8.190 nan 0.000 0.432 47 N N 3.383 121.881 118.700 -0.337 0.000 2.753 47 N HA -0.154 5.219 4.740 1.055 0.000 0.251 47 N C 0.376 175.742 175.510 -0.240 0.000 1.097 47 N CA 2.013 54.800 53.050 -0.439 0.000 0.786 47 N CB -0.753 37.197 38.487 -0.894 0.000 1.137 47 N HN 1.869 nan 8.380 nan 0.000 0.566 48 G N -1.967 106.728 108.800 -0.175 0.000 2.756 48 G HA2 -0.228 4.364 3.960 1.055 0.000 0.678 48 G HA3 -0.228 4.364 3.960 1.055 0.000 0.678 48 G C 0.014 174.878 174.900 -0.060 0.000 1.349 48 G CA -0.405 44.625 45.100 -0.117 0.000 0.847 48 G HN 0.861 nan 8.290 nan 0.000 0.548 49 c N 1.343 119.923 118.600 -0.033 0.000 2.305 49 c HA 0.476 5.679 4.570 1.055 0.000 0.378 49 c C 0.939 175.051 174.090 0.037 0.000 1.047 49 c CA 0.139 56.478 56.329 0.017 0.000 1.385 49 c CB -1.331 41.216 42.510 0.061 0.000 1.825 49 c HN 0.784 nan 8.230 nan 0.000 0.508 50 D N 0.520 120.945 120.400 0.042 0.000 2.563 50 D HA 0.257 5.530 4.640 1.055 0.000 0.237 50 D C 1.099 177.443 176.300 0.072 0.000 1.282 50 D CA 0.242 54.273 54.000 0.051 0.000 0.816 50 D CB -0.218 40.612 40.800 0.050 0.000 1.066 50 D HN 0.579 nan 8.370 nan 0.000 0.501 51 A N 0.726 123.598 122.820 0.087 0.000 2.816 51 A HA -0.292 4.661 4.320 1.055 0.000 0.270 51 A C 1.890 179.529 177.584 0.091 0.000 1.413 51 A CA 1.427 53.523 52.037 0.097 0.000 0.866 51 A CB -2.589 16.462 19.000 0.084 0.000 1.032 51 A HN 0.769 nan 8.150 nan 0.000 0.642 52 S N -0.615 115.145 115.700 0.100 0.000 2.399 52 S HA -0.091 5.012 4.470 1.055 0.000 0.231 52 S C 1.728 176.373 174.600 0.075 0.000 1.022 52 S CA 1.241 59.496 58.200 0.091 0.000 0.983 52 S CB -0.513 62.825 63.200 0.229 0.000 0.803 52 S HN 1.275 nan 8.310 nan 0.000 0.480 53 I N 0.867 121.505 120.570 0.113 0.000 2.614 53 I HA -0.019 4.783 4.170 1.055 0.000 0.258 53 I C 1.700 177.899 176.117 0.137 0.000 1.189 53 I CA 0.987 62.368 61.300 0.135 0.000 1.462 53 I CB -0.059 38.057 38.000 0.193 0.000 1.092 53 I HN 0.313 nan 8.210 nan 0.000 0.442 54 L N 0.520 121.825 121.223 0.137 0.000 2.395 54 L HA 0.042 5.014 4.340 1.055 0.000 0.218 54 L C 0.820 177.696 176.870 0.009 0.000 1.130 54 L CA 0.014 54.925 54.840 0.118 0.000 0.826 54 L CB -0.364 41.787 42.059 0.154 0.000 0.941 54 L HN 0.132 nan 8.230 nan 0.000 0.451 55 L N 0.553 121.790 121.223 0.023 0.000 2.453 55 L HA 0.065 5.038 4.340 1.055 0.000 0.272 55 L C 0.106 176.986 176.870 0.017 0.000 1.182 55 L CA 0.016 54.885 54.840 0.048 0.000 0.858 55 L CB 0.330 42.453 42.059 0.108 0.000 1.120 55 L HN 0.047 nan 8.230 nan 0.000 0.474 56 D N 1.264 121.667 120.400 0.005 0.000 2.432 56 D HA 0.159 5.432 4.640 1.055 0.000 0.258 56 D C 0.057 176.342 176.300 -0.025 0.000 1.146 56 D CA -0.495 53.476 54.000 -0.048 0.000 1.015 56 D CB 0.623 41.376 40.800 -0.078 0.000 1.107 56 D HN 0.364 nan 8.370 nan 0.000 0.529 57 N N -0.083 118.572 118.700 -0.076 0.000 2.395 57 N HA 0.056 5.428 4.740 1.055 0.000 0.246 57 N C -0.118 175.238 175.510 -0.257 0.000 1.246 57 N CA 0.588 53.559 53.050 -0.131 0.000 0.879 57 N CB 0.450 38.873 38.487 -0.107 0.000 1.098 57 N HN 0.414 nan 8.380 nan 0.000 0.444 58 T N -3.392 110.902 114.554 -0.434 0.000 2.841 58 T HA 0.289 5.272 4.350 1.055 0.000 0.296 58 T C 1.109 175.584 174.700 -0.376 0.000 1.166 58 T CA -0.536 61.268 62.100 -0.494 0.000 1.007 58 T CB 0.928 69.269 68.868 -0.878 0.000 1.253 58 T HN 0.421 nan 8.240 nan 0.000 0.511 59 T N -1.183 113.210 114.554 -0.268 0.000 3.072 59 T HA -0.006 4.977 4.350 1.055 0.000 0.266 59 T C 1.822 176.426 174.700 -0.160 0.000 1.127 59 T CA 1.208 63.204 62.100 -0.174 0.000 1.107 59 T CB -0.650 68.146 68.868 -0.119 0.000 0.910 59 T HN 0.786 nan 8.240 nan 0.000 0.513 60 S N 0.693 116.253 115.700 -0.233 0.000 2.483 60 S HA 0.351 5.454 4.470 1.055 0.000 0.221 60 S C 0.246 174.832 174.600 -0.024 0.000 1.030 60 S CA -0.800 57.330 58.200 -0.117 0.000 0.925 60 S CB -0.443 62.714 63.200 -0.071 0.000 0.795 60 S HN 0.705 nan 8.310 nan 0.000 0.511 61 F N 0.349 120.253 119.950 -0.077 0.000 2.601 61 F HA 0.827 5.986 4.527 1.053 0.000 0.309 61 F C -0.607 175.138 175.800 -0.092 0.000 1.089 61 F CA -1.640 56.302 58.000 -0.097 0.000 0.940 61 F CB 0.951 39.861 39.000 -0.150 0.000 1.273 61 F HN -0.308 nan 8.300 nan 0.000 0.450 62 R N 1.067 121.683 120.500 0.193 0.000 2.531 62 R HA 0.373 5.345 4.340 1.055 0.000 0.273 62 R C -0.064 176.332 176.300 0.159 0.000 1.070 62 R CA -0.598 55.561 56.100 0.098 0.000 1.112 62 R CB 1.319 31.639 30.300 0.032 0.000 1.049 62 R HN 0.935 nan 8.270 nan 0.000 0.508 63 T N 0.099 114.697 114.554 0.074 0.000 2.910 63 T HA 0.065 5.048 4.350 1.055 0.000 0.293 63 T C 0.990 175.693 174.700 0.005 0.000 1.015 63 T CA -0.242 61.888 62.100 0.050 0.000 1.094 63 T CB 0.499 69.356 68.868 -0.018 0.000 0.968 63 T HN 0.472 nan 8.240 nan 0.000 0.521 64 E N 1.997 122.200 120.200 0.005 0.000 2.418 64 E HA -0.049 4.934 4.350 1.055 0.000 0.197 64 E C 1.814 178.416 176.600 0.003 0.000 1.026 64 E CA 0.583 56.989 56.400 0.010 0.000 0.862 64 E CB 0.160 29.886 29.700 0.043 0.000 0.799 64 E HN 0.636 nan 8.360 nan 0.000 0.518 65 K N 0.660 121.043 120.400 -0.028 0.000 2.360 65 K HA -0.103 4.850 4.320 1.055 0.000 0.201 65 K C 0.684 177.276 176.600 -0.014 0.000 1.046 65 K CA 0.740 57.010 56.287 -0.028 0.000 0.945 65 K CB 0.180 32.579 32.500 -0.169 0.000 0.750 65 K HN 0.040 nan 8.250 nan 0.000 0.464 66 D N 0.404 120.774 120.400 -0.049 0.000 2.368 66 D HA 0.100 5.373 4.640 1.055 0.000 0.218 66 D C -0.060 176.135 176.300 -0.174 0.000 1.112 66 D CA 0.075 54.024 54.000 -0.086 0.000 0.834 66 D CB 0.334 41.080 40.800 -0.090 0.000 0.953 66 D HN 0.122 nan 8.370 nan 0.000 0.505 67 A N -0.239 122.503 122.820 -0.130 0.000 2.332 67 A HA 0.236 5.188 4.320 1.055 0.000 0.258 67 A C 0.797 178.286 177.584 -0.159 0.000 1.087 67 A CA -0.345 51.574 52.037 -0.196 0.000 0.802 67 A CB 0.162 19.122 19.000 -0.067 0.000 1.042 67 A HN -0.009 nan 8.150 nan 0.000 0.489 68 F N 1.323 121.318 119.950 0.075 0.000 2.202 68 F HA -0.069 5.115 4.527 1.096 0.000 0.301 68 F C 2.399 178.266 175.800 0.111 0.000 1.082 68 F CA 1.954 60.020 58.000 0.109 0.000 1.313 68 F CB -0.602 38.474 39.000 0.127 0.000 1.024 68 F HN 0.621 nan 8.300 nan 0.000 0.495 69 G N -1.209 107.704 108.800 0.188 0.000 2.712 69 G HA2 -0.101 4.492 3.960 1.055 0.000 0.212 69 G HA3 -0.101 4.492 3.960 1.055 0.000 0.212 69 G C 1.488 176.491 174.900 0.171 0.000 1.142 69 G CA 0.348 45.504 45.100 0.094 0.000 0.789 69 G HN 0.244 nan 8.290 nan 0.000 0.535 70 N N 0.452 119.244 118.700 0.153 0.000 2.516 70 N HA 0.141 5.513 4.740 1.055 0.000 0.197 70 N C 1.233 176.857 175.510 0.190 0.000 1.064 70 N CA 0.309 53.486 53.050 0.212 0.000 0.866 70 N CB 0.140 38.743 38.487 0.193 0.000 1.255 70 N HN 0.190 nan 8.380 nan 0.000 0.447 71 A N 1.818 124.719 122.820 0.135 0.000 2.567 71 A HA 0.049 5.002 4.320 1.055 0.000 0.240 71 A C 0.798 178.476 177.584 0.156 0.000 1.053 71 A CA 0.168 52.275 52.037 0.117 0.000 0.755 71 A CB -0.455 18.583 19.000 0.064 0.000 0.978 71 A HN 0.484 nan 8.150 nan 0.000 0.507 72 N N 0.336 119.118 118.700 0.136 0.000 2.710 72 N HA -0.194 5.178 4.740 1.055 0.000 0.249 72 N C 0.337 175.948 175.510 0.167 0.000 1.059 72 N CA 1.694 54.824 53.050 0.132 0.000 0.720 72 N CB -0.964 37.589 38.487 0.110 0.000 0.983 72 N HN 0.801 nan 8.380 nan 0.000 0.544 73 S N -2.344 113.466 115.700 0.183 0.000 4.074 73 S HA 0.504 5.607 4.470 1.055 0.000 0.220 73 S C 0.013 174.696 174.600 0.138 0.000 1.164 73 S CA 0.445 58.761 58.200 0.193 0.000 1.020 73 S CB -0.467 62.886 63.200 0.256 0.000 1.299 73 S HN 0.685 nan 8.310 nan 0.000 0.509 74 A N 3.204 126.121 122.820 0.162 0.000 2.462 74 A HA 0.621 5.574 4.320 1.055 0.000 0.243 74 A C 0.297 177.908 177.584 0.045 0.000 1.076 74 A CA -0.027 52.063 52.037 0.088 0.000 0.773 74 A CB -0.077 19.064 19.000 0.234 0.000 1.010 74 A HN 0.728 nan 8.150 nan 0.000 0.493 75 R N 0.408 120.788 120.500 -0.200 0.000 2.766 75 R HA 0.719 5.692 4.340 1.055 0.000 0.270 75 R C 0.396 176.440 176.300 -0.426 0.000 1.035 75 R CA -0.393 55.578 56.100 -0.214 0.000 0.911 75 R CB 0.616 30.881 30.300 -0.058 0.000 1.243 75 R HN 2.008 nan 8.270 nan 0.000 0.460 76 G N -0.229 108.412 108.800 -0.266 0.000 2.176 76 G HA2 -0.259 4.333 3.960 1.055 0.000 0.232 76 G HA3 -0.259 4.333 3.960 1.055 0.000 0.232 76 G C 0.199 174.978 174.900 -0.201 0.000 0.986 76 G CA 0.222 45.189 45.100 -0.222 0.000 0.643 76 G HN 0.455 nan 8.290 nan 0.000 0.522 77 F N 1.372 121.329 119.950 0.012 0.000 2.120 77 F HA 0.038 5.195 4.527 1.048 0.000 0.300 77 F C 0.637 176.442 175.800 0.009 0.000 1.095 77 F CA 1.992 60.001 58.000 0.014 0.000 1.249 77 F CB -1.447 37.564 39.000 0.019 0.000 0.995 77 F HN 0.251 nan 8.300 nan 0.000 0.480 78 P HA -0.097 nan 4.420 nan 0.000 0.219 78 P C 1.860 179.192 177.300 0.053 0.000 1.150 78 P CA 1.109 64.267 63.100 0.097 0.000 0.814 78 P CB 0.027 31.772 31.700 0.075 0.000 0.787 79 V N -0.260 119.670 119.914 0.027 0.000 2.427 79 V HA -0.186 4.567 4.120 1.055 0.000 0.248 79 V C 2.240 178.337 176.094 0.004 0.000 1.051 79 V CA 1.386 63.688 62.300 0.002 0.000 1.048 79 V CB -0.997 30.812 31.823 -0.025 0.000 0.666 79 V HN 0.057 nan 8.190 nan 0.000 0.456 80 I N 0.271 120.851 120.570 0.017 0.000 2.315 80 I HA -0.158 4.644 4.170 1.055 0.000 0.248 80 I C 2.259 178.397 176.117 0.035 0.000 1.117 80 I CA 1.437 62.752 61.300 0.025 0.000 1.404 80 I CB -1.231 36.802 38.000 0.055 0.000 1.071 80 I HN 0.346 nan 8.210 nan 0.000 0.419 81 D N 0.477 120.910 120.400 0.054 0.000 2.144 81 D HA -0.192 5.081 4.640 1.055 0.000 0.199 81 D C 2.264 178.576 176.300 0.021 0.000 0.984 81 D CA 0.938 54.964 54.000 0.042 0.000 0.834 81 D CB -0.170 40.660 40.800 0.050 0.000 0.955 81 D HN 0.302 nan 8.370 nan 0.000 0.465 82 R N 0.623 121.133 120.500 0.016 0.000 2.070 82 R HA -0.119 4.854 4.340 1.055 0.000 0.233 82 R C 2.581 178.877 176.300 -0.006 0.000 1.137 82 R CA 1.578 57.680 56.100 0.004 0.000 0.945 82 R CB -0.156 30.145 30.300 0.002 0.000 0.845 82 R HN 0.224 nan 8.270 nan 0.000 0.430 83 M N -0.274 119.319 119.600 -0.011 0.000 2.229 83 M HA -0.040 5.073 4.480 1.055 0.000 0.264 83 M C 2.011 178.295 176.300 -0.027 0.000 1.063 83 M CA 1.689 56.975 55.300 -0.024 0.000 1.114 83 M CB -0.287 32.293 32.600 -0.033 0.000 1.387 83 M HN -0.142 nan 8.290 nan 0.000 0.420 84 K N 1.591 121.982 120.400 -0.016 0.000 2.057 84 K HA 0.015 4.968 4.320 1.055 0.000 0.207 84 K C 2.042 178.632 176.600 -0.018 0.000 1.049 84 K CA 2.094 58.371 56.287 -0.017 0.000 0.931 84 K CB -0.763 31.738 32.500 0.001 0.000 0.714 84 K HN 0.429 nan 8.250 nan 0.000 0.440 85 A N 0.512 123.327 122.820 -0.010 0.000 1.902 85 A HA -0.021 4.931 4.320 1.055 0.000 0.217 85 A C 2.382 179.956 177.584 -0.016 0.000 1.181 85 A CA 2.024 54.056 52.037 -0.009 0.000 0.623 85 A CB -1.050 17.948 19.000 -0.004 0.000 0.818 85 A HN 0.446 nan 8.150 nan 0.000 0.443 86 A N -0.701 122.107 122.820 -0.020 0.000 1.930 86 A HA 0.041 4.993 4.320 1.055 0.000 0.217 86 A C 2.181 179.744 177.584 -0.034 0.000 1.175 86 A CA 1.717 53.740 52.037 -0.025 0.000 0.627 86 A CB -0.730 18.255 19.000 -0.026 0.000 0.815 86 A HN 0.378 nan 8.150 nan 0.000 0.443 87 V N 0.034 119.922 119.914 -0.045 0.000 2.453 87 V HA -0.135 4.618 4.120 1.055 0.000 0.247 87 V C 2.423 178.484 176.094 -0.055 0.000 1.048 87 V CA 1.756 64.018 62.300 -0.064 0.000 1.049 87 V CB -0.591 31.178 31.823 -0.090 0.000 0.672 87 V HN 0.467 nan 8.190 nan 0.000 0.457 88 E N 0.252 120.428 120.200 -0.040 0.000 2.204 88 E HA -0.126 4.857 4.350 1.055 0.000 0.194 88 E C 2.459 179.045 176.600 -0.023 0.000 0.989 88 E CA 1.295 57.678 56.400 -0.028 0.000 0.824 88 E CB -0.169 29.521 29.700 -0.017 0.000 0.756 88 E HN 0.552 nan 8.360 nan 0.000 0.477 89 S N 0.595 116.281 115.700 -0.023 0.000 2.357 89 S HA -0.049 5.053 4.470 1.055 0.000 0.221 89 S C 2.051 176.638 174.600 -0.021 0.000 1.031 89 S CA 0.928 59.117 58.200 -0.018 0.000 0.982 89 S CB -0.037 63.153 63.200 -0.016 0.000 0.853 89 S HN 0.386 nan 8.310 nan 0.000 0.458 90 A N 0.659 123.462 122.820 -0.028 0.000 1.898 90 A HA -0.033 4.920 4.320 1.055 0.000 0.216 90 A C 1.406 178.972 177.584 -0.030 0.000 1.181 90 A CA 1.210 53.230 52.037 -0.030 0.000 0.620 90 A CB -0.582 18.396 19.000 -0.037 0.000 0.819 90 A HN 0.783 nan 8.150 nan 0.000 0.442 91 c N -3.365 115.213 118.600 -0.038 0.000 3.123 91 c HA 0.599 5.802 4.570 1.055 0.000 0.284 91 c C -3.233 170.841 174.090 -0.028 0.000 1.076 91 c CA -2.827 53.482 56.329 -0.033 0.000 1.416 91 c CB 0.115 42.597 42.510 -0.046 0.000 1.841 91 c HN 0.163 nan 8.230 nan 0.000 0.501 92 P HA 0.101 nan 4.420 nan 0.000 0.263 92 P C 0.389 177.691 177.300 0.003 0.000 1.175 92 P CA 0.981 64.077 63.100 -0.007 0.000 0.761 92 P CB 0.274 31.972 31.700 -0.003 0.000 0.794 93 R N 0.539 121.044 120.500 0.007 0.000 3.387 93 R HA -0.195 4.778 4.340 1.055 0.000 0.254 93 R C 0.458 176.784 176.300 0.044 0.000 1.006 93 R CA 0.975 57.090 56.100 0.024 0.000 0.677 93 R CB -2.633 27.683 30.300 0.027 0.000 1.063 93 R HN 0.537 nan 8.270 nan 0.000 0.453 94 T N -1.515 113.058 114.554 0.031 0.000 3.114 94 T HA 0.127 5.110 4.350 1.055 0.000 0.240 94 T C 0.718 175.479 174.700 0.102 0.000 0.983 94 T CA 0.382 62.527 62.100 0.075 0.000 1.151 94 T CB 0.584 69.469 68.868 0.028 0.000 0.974 94 T HN 0.042 nan 8.240 nan 0.000 0.442 95 V N 4.268 124.121 119.914 -0.102 0.000 2.406 95 V HA 0.430 5.182 4.120 1.055 0.000 0.272 95 V C 0.476 176.559 176.094 -0.017 0.000 1.043 95 V CA -1.035 61.125 62.300 -0.233 0.000 0.915 95 V CB 0.947 32.476 31.823 -0.489 0.000 0.988 95 V HN 0.581 nan 8.190 nan 0.000 0.466 96 S N 3.361 119.126 115.700 0.108 0.000 2.585 96 S HA 0.070 5.173 4.470 1.055 0.000 0.273 96 S C 1.208 175.836 174.600 0.047 0.000 1.339 96 S CA -0.485 57.766 58.200 0.086 0.000 1.028 96 S CB 0.893 64.155 63.200 0.104 0.000 0.906 96 S HN 0.728 nan 8.310 nan 0.000 0.528 97 c N 1.559 120.185 118.600 0.045 0.000 2.425 97 c HA 0.017 5.219 4.570 1.055 0.000 0.277 97 c C 3.127 177.250 174.090 0.055 0.000 1.280 97 c CA 0.934 57.288 56.329 0.043 0.000 1.744 97 c CB -2.085 40.457 42.510 0.054 0.000 1.989 97 c HN 1.018 nan 8.230 nan 0.000 0.491 98 A N 0.736 123.594 122.820 0.064 0.000 1.902 98 A HA -0.214 4.739 4.320 1.055 0.000 0.217 98 A C 1.818 179.444 177.584 0.069 0.000 1.181 98 A CA 2.232 54.314 52.037 0.076 0.000 0.623 98 A CB -0.564 18.473 19.000 0.061 0.000 0.818 98 A HN 0.511 nan 8.150 nan 0.000 0.443 99 D N -0.690 119.747 120.400 0.062 0.000 2.123 99 D HA -0.083 5.189 4.640 1.055 0.000 0.200 99 D C 1.860 178.171 176.300 0.017 0.000 0.976 99 D CA 1.004 55.045 54.000 0.068 0.000 0.831 99 D CB -0.366 40.554 40.800 0.200 0.000 0.974 99 D HN 0.304 nan 8.370 nan 0.000 0.469 100 L N 0.503 121.725 121.223 -0.001 0.000 2.042 100 L HA -0.149 4.824 4.340 1.055 0.000 0.210 100 L C 2.051 178.889 176.870 -0.053 0.000 1.076 100 L CA 1.314 56.129 54.840 -0.043 0.000 0.749 100 L CB -0.484 41.553 42.059 -0.037 0.000 0.893 100 L HN 0.037 nan 8.230 nan 0.000 0.432 101 L N -1.348 119.863 121.223 -0.020 0.000 2.141 101 L HA -0.120 4.853 4.340 1.055 0.000 0.209 101 L C 2.262 179.032 176.870 -0.167 0.000 1.094 101 L CA 2.157 56.983 54.840 -0.024 0.000 0.763 101 L CB -0.931 41.177 42.059 0.081 0.000 0.908 101 L HN 0.310 nan 8.230 nan 0.000 0.437 102 T N -0.203 114.217 114.554 -0.224 0.000 2.737 102 T HA -0.112 4.871 4.350 1.055 0.000 0.265 102 T C 1.977 176.436 174.700 -0.403 0.000 1.038 102 T CA 1.937 63.711 62.100 -0.544 0.000 1.144 102 T CB -0.252 68.484 68.868 -0.219 0.000 0.866 102 T HN 0.301 nan 8.240 nan 0.000 0.434 103 I N 1.445 121.872 120.570 -0.238 0.000 2.226 103 I HA -0.162 4.641 4.170 1.055 0.000 0.245 103 I C 2.953 178.933 176.117 -0.229 0.000 1.100 103 I CA 1.041 62.203 61.300 -0.230 0.000 1.374 103 I CB -0.516 37.397 38.000 -0.145 0.000 1.057 103 I HN 0.187 nan 8.210 nan 0.000 0.413 104 A N 0.870 123.584 122.820 -0.177 0.000 1.940 104 A HA -0.196 4.756 4.320 1.055 0.000 0.219 104 A C 2.547 180.047 177.584 -0.140 0.000 1.176 104 A CA 1.990 53.946 52.037 -0.135 0.000 0.631 104 A CB -0.794 18.151 19.000 -0.092 0.000 0.814 104 A HN 0.445 nan 8.150 nan 0.000 0.446 105 A N -1.092 121.619 122.820 -0.182 0.000 1.898 105 A HA -0.198 4.754 4.320 1.055 0.000 0.216 105 A C 2.225 179.730 177.584 -0.132 0.000 1.181 105 A CA 1.774 53.743 52.037 -0.112 0.000 0.620 105 A CB -0.517 18.390 19.000 -0.155 0.000 0.819 105 A HN 0.563 nan 8.150 nan 0.000 0.442 106 Q N -0.671 118.947 119.800 -0.303 0.000 2.046 106 Q HA -0.206 4.767 4.340 1.055 0.000 0.200 106 Q C 2.017 177.775 176.000 -0.402 0.000 0.975 106 Q CA 1.725 57.206 55.803 -0.537 0.000 0.836 106 Q CB -0.322 27.810 28.738 -1.010 0.000 0.896 106 Q HN 0.648 nan 8.270 nan 0.000 0.428 107 Q N 0.009 119.630 119.800 -0.298 0.000 2.170 107 Q HA -0.058 4.915 4.340 1.055 0.000 0.203 107 Q C 2.206 178.131 176.000 -0.125 0.000 0.976 107 Q CA 1.295 56.977 55.803 -0.202 0.000 0.858 107 Q CB -0.198 28.446 28.738 -0.157 0.000 0.907 107 Q HN 0.292 nan 8.270 nan 0.000 0.433 108 S N 0.307 115.955 115.700 -0.087 0.000 2.368 108 S HA -0.091 5.011 4.470 1.055 0.000 0.225 108 S C 2.187 176.801 174.600 0.024 0.000 1.030 108 S CA 1.038 59.239 58.200 0.002 0.000 0.999 108 S CB -0.154 63.073 63.200 0.045 0.000 0.844 108 S HN 0.141 nan 8.310 nan 0.000 0.459 109 V N 1.708 121.574 119.914 -0.079 0.000 2.295 109 V HA -0.186 4.566 4.120 1.055 0.000 0.246 109 V C 2.524 178.414 176.094 -0.341 0.000 1.049 109 V CA 2.152 64.248 62.300 -0.342 0.000 1.024 109 V CB -1.333 30.223 31.823 -0.446 0.000 0.648 109 V HN 0.510 nan 8.190 nan 0.000 0.447 110 T N 0.385 114.805 114.554 -0.223 0.000 2.708 110 T HA -0.144 4.839 4.350 1.055 0.000 0.266 110 T C 1.904 176.555 174.700 -0.081 0.000 1.037 110 T CA 1.503 63.508 62.100 -0.158 0.000 1.146 110 T CB -0.340 68.446 68.868 -0.137 0.000 0.865 110 T HN 0.282 nan 8.240 nan 0.000 0.435 111 L N 0.695 121.888 121.223 -0.051 0.000 2.127 111 L HA -0.056 4.916 4.340 1.055 0.000 0.211 111 L C 2.655 179.553 176.870 0.046 0.000 1.089 111 L CA 0.958 55.798 54.840 -0.000 0.000 0.757 111 L CB -0.475 41.588 42.059 0.006 0.000 0.899 111 L HN 0.245 nan 8.230 nan 0.000 0.434 112 A N -0.799 122.064 122.820 0.072 0.000 2.238 112 A HA 0.320 5.273 4.320 1.055 0.000 0.208 112 A C 1.636 179.293 177.584 0.122 0.000 1.177 112 A CA 0.737 52.867 52.037 0.154 0.000 0.804 112 A CB -0.342 18.843 19.000 0.309 0.000 0.823 112 A HN 0.527 nan 8.150 nan 0.000 0.482 113 G N -2.279 106.560 108.800 0.065 0.000 2.179 113 G HA2 -0.019 4.573 3.960 1.055 0.000 0.220 113 G HA3 -0.019 4.573 3.960 1.055 0.000 0.220 113 G C 0.723 175.685 174.900 0.104 0.000 0.990 113 G CA 0.173 45.335 45.100 0.103 0.000 0.646 113 G HN 1.268 nan 8.290 nan 0.000 0.517 114 G N 0.210 108.936 108.800 -0.124 0.000 2.525 114 G HA2 0.719 5.312 3.960 1.055 0.000 0.287 114 G HA3 0.719 5.312 3.960 1.055 0.000 0.287 114 G C -1.633 172.908 174.900 -0.599 0.000 1.350 114 G CA -0.444 44.319 45.100 -0.561 0.000 1.039 114 G HN 0.282 nan 8.290 nan 0.000 0.513 115 P HA 0.170 nan 4.420 nan 0.000 0.270 115 P C -0.563 176.754 177.300 0.028 0.000 1.223 115 P CA 0.025 62.907 63.100 -0.365 0.000 0.785 115 P CB 1.394 32.819 31.700 -0.459 0.000 0.923 116 S N 1.519 117.302 115.700 0.138 0.000 2.473 116 S HA 0.750 5.852 4.470 1.055 0.000 0.307 116 S C -1.446 173.343 174.600 0.315 0.000 1.094 116 S CA -0.594 57.700 58.200 0.157 0.000 1.070 116 S CB 0.065 63.289 63.200 0.040 0.000 1.019 116 S HN 0.623 nan 8.310 nan 0.000 0.480 117 W N 3.492 124.738 121.300 -0.089 0.000 3.059 117 W HA 0.602 5.893 4.660 1.052 0.000 0.329 117 W C -1.784 174.702 176.519 -0.055 0.000 1.246 117 W CA -1.075 56.231 57.345 -0.065 0.000 1.190 117 W CB 0.593 30.010 29.460 -0.072 0.000 1.423 117 W HN 0.476 nan 8.180 nan 0.000 0.571 118 R N 2.746 123.238 120.500 -0.013 0.000 2.207 118 R HA 0.440 5.413 4.340 1.055 0.000 0.334 118 R C 0.109 176.362 176.300 -0.079 0.000 1.013 118 R CA -0.780 55.244 56.100 -0.126 0.000 0.858 118 R CB 1.352 31.644 30.300 -0.014 0.000 1.094 118 R HN 0.534 nan 8.270 nan 0.000 0.457 119 V N 1.508 121.272 119.914 -0.251 0.000 2.775 119 V HA 0.322 5.075 4.120 1.055 0.000 0.299 119 V C -2.221 173.877 176.094 0.006 0.000 1.062 119 V CA -2.198 60.062 62.300 -0.067 0.000 1.063 119 V CB 0.567 32.293 31.823 -0.160 0.000 0.994 119 V HN 0.535 nan 8.190 nan 0.000 0.483 120 P HA 0.424 nan 4.420 nan 0.000 0.268 120 P C -0.667 176.617 177.300 -0.028 0.000 1.205 120 P CA 0.150 63.260 63.100 0.017 0.000 0.771 120 P CB 0.526 32.242 31.700 0.026 0.000 0.858 121 L N 1.136 122.311 121.223 -0.079 0.000 2.303 121 L HA 0.768 5.740 4.340 1.055 0.000 0.256 121 L C 1.055 177.603 176.870 -0.537 0.000 1.034 121 L CA -0.573 54.151 54.840 -0.193 0.000 0.832 121 L CB 1.945 43.949 42.059 -0.092 0.000 1.403 121 L HN 0.619 nan 8.230 nan 0.000 0.419 122 G N 0.239 108.485 108.800 -0.924 0.000 2.198 122 G HA2 -0.132 4.460 3.960 1.055 0.000 0.156 122 G HA3 -0.132 4.460 3.960 1.055 0.000 0.156 122 G C 0.011 174.506 174.900 -0.675 0.000 1.012 122 G CA -0.680 43.480 45.100 -1.567 0.000 0.692 122 G HN 0.444 nan 8.290 nan 0.000 0.492 123 R N 0.186 120.474 120.500 -0.353 0.000 2.641 123 R HA 0.698 5.671 4.340 1.055 0.000 0.269 123 R C 0.563 176.808 176.300 -0.092 0.000 1.074 123 R CA 0.050 56.056 56.100 -0.156 0.000 1.133 123 R CB 0.651 30.914 30.300 -0.061 0.000 1.029 123 R HN 0.258 nan 8.270 nan 0.000 0.488 124 R N 0.309 120.784 120.500 -0.041 0.000 2.892 124 R HA 0.265 5.238 4.340 1.055 0.000 0.265 124 R C -0.999 175.315 176.300 0.024 0.000 1.025 124 R CA -0.995 55.109 56.100 0.006 0.000 0.982 124 R CB 1.324 31.630 30.300 0.011 0.000 1.185 124 R HN 0.513 nan 8.270 nan 0.000 0.484 125 D N 0.960 121.384 120.400 0.039 0.000 2.256 125 D HA 0.079 5.352 4.640 1.055 0.000 0.250 125 D C 0.114 176.437 176.300 0.040 0.000 1.093 125 D CA -0.006 54.020 54.000 0.043 0.000 0.882 125 D CB 1.484 42.312 40.800 0.046 0.000 1.185 125 D HN 0.486 nan 8.370 nan 0.000 0.437 126 S N 1.131 116.859 115.700 0.046 0.000 2.589 126 S HA 0.119 5.222 4.470 1.055 0.000 0.265 126 S C 1.001 175.599 174.600 -0.003 0.000 1.342 126 S CA -0.441 57.786 58.200 0.046 0.000 1.005 126 S CB 0.638 63.897 63.200 0.098 0.000 0.909 126 S HN 0.454 nan 8.310 nan 0.000 0.555 127 L N 0.919 122.124 121.223 -0.030 0.000 2.667 127 L HA 0.291 5.264 4.340 1.055 0.000 0.232 127 L C 0.793 177.556 176.870 -0.177 0.000 1.138 127 L CA -0.172 54.640 54.840 -0.048 0.000 0.921 127 L CB -0.660 41.393 42.059 -0.010 0.000 1.180 127 L HN 0.841 nan 8.230 nan 0.000 0.487 128 Q N -1.035 118.508 119.800 -0.428 0.000 2.687 128 Q HA 0.729 5.701 4.340 1.055 0.000 0.295 128 Q C -1.654 173.574 176.000 -1.288 0.000 0.920 128 Q CA -0.922 54.217 55.803 -1.106 0.000 0.766 128 Q CB 2.111 30.261 28.738 -0.979 0.000 1.467 128 Q HN -0.085 nan 8.270 nan 0.000 0.415 129 A N 0.625 122.398 122.820 -1.744 0.000 2.330 129 A HA 0.835 5.788 4.320 1.055 0.000 0.329 129 A C -1.382 175.585 177.584 -1.028 0.000 1.135 129 A CA -0.689 50.771 52.037 -0.962 0.000 0.817 129 A CB 0.701 19.443 19.000 -0.430 0.000 1.269 129 A HN 0.526 nan 8.150 nan 0.000 0.469 130 F N 2.068 121.920 119.950 -0.163 0.000 2.564 130 F HA 0.267 5.425 4.527 1.051 0.000 0.361 130 F C 0.825 176.595 175.800 -0.051 0.000 1.161 130 F CA -0.491 57.450 58.000 -0.097 0.000 1.198 130 F CB 1.122 40.069 39.000 -0.088 0.000 1.424 130 F HN 0.499 nan 8.300 nan 0.000 0.517 131 L N 1.104 122.369 121.223 0.070 0.000 2.017 131 L HA -0.127 4.845 4.340 1.055 0.000 0.208 131 L C 1.849 178.754 176.870 0.059 0.000 1.073 131 L CA 2.134 57.001 54.840 0.043 0.000 0.745 131 L CB -0.375 41.691 42.059 0.011 0.000 0.894 131 L HN 0.353 nan 8.230 nan 0.000 0.432 132 D N -0.540 119.908 120.400 0.081 0.000 2.117 132 D HA -0.195 5.078 4.640 1.055 0.000 0.197 132 D C 2.214 178.574 176.300 0.099 0.000 0.987 132 D CA 1.469 55.524 54.000 0.092 0.000 0.829 132 D CB -0.153 40.702 40.800 0.092 0.000 0.961 132 D HN 0.316 nan 8.370 nan 0.000 0.460 133 L N 0.916 122.205 121.223 0.109 0.000 2.093 133 L HA -0.047 4.926 4.340 1.055 0.000 0.208 133 L C 2.158 179.057 176.870 0.049 0.000 1.085 133 L CA 1.382 56.261 54.840 0.066 0.000 0.755 133 L CB -0.604 41.472 42.059 0.029 0.000 0.904 133 L HN -0.063 nan 8.230 nan 0.000 0.435 134 A N -0.630 122.224 122.820 0.057 0.000 1.898 134 A HA -0.192 4.761 4.320 1.055 0.000 0.216 134 A C 2.071 179.676 177.584 0.034 0.000 1.181 134 A CA 1.710 53.755 52.037 0.012 0.000 0.620 134 A CB -0.682 18.319 19.000 0.002 0.000 0.819 134 A HN 0.554 nan 8.150 nan 0.000 0.442 135 N N 0.308 119.063 118.700 0.091 0.000 2.223 135 N HA -0.067 5.305 4.740 1.055 0.000 0.185 135 N C 1.728 177.357 175.510 0.199 0.000 1.016 135 N CA 1.458 54.630 53.050 0.203 0.000 0.863 135 N CB -0.392 38.266 38.487 0.285 0.000 0.983 135 N HN 0.494 nan 8.380 nan 0.000 0.429 136 A N 0.480 123.387 122.820 0.145 0.000 1.935 136 A HA 0.059 5.011 4.320 1.055 0.000 0.214 136 A C 1.869 179.538 177.584 0.142 0.000 1.178 136 A CA 0.847 52.970 52.037 0.142 0.000 0.640 136 A CB -0.061 19.002 19.000 0.104 0.000 0.825 136 A HN 0.157 nan 8.150 nan 0.000 0.447 137 N N -0.306 118.453 118.700 0.099 0.000 2.409 137 N HA 0.154 5.527 4.740 1.055 0.000 0.174 137 N C 0.158 175.759 175.510 0.152 0.000 1.037 137 N CA 0.212 53.329 53.050 0.111 0.000 0.898 137 N CB -0.176 38.334 38.487 0.039 0.000 1.010 137 N HN 0.380 nan 8.380 nan 0.000 0.445 138 L N 3.187 124.423 121.223 0.021 0.000 2.360 138 L HA 0.241 5.213 4.340 1.055 0.000 0.276 138 L C -1.821 174.985 176.870 -0.106 0.000 1.121 138 L CA -1.469 53.289 54.840 -0.137 0.000 0.845 138 L CB 0.463 42.296 42.059 -0.377 0.000 1.143 138 L HN -0.017 nan 8.230 nan 0.000 0.452 139 P HA 0.258 nan 4.420 nan 0.000 0.274 139 P C -1.085 175.708 177.300 -0.845 0.000 1.246 139 P CA -0.457 62.361 63.100 -0.471 0.000 0.795 139 P CB 1.387 33.081 31.700 -0.011 0.000 1.006 140 A N 1.949 123.715 122.820 -1.757 0.000 2.380 140 A HA 0.586 5.539 4.320 1.055 0.000 0.315 140 A C -1.749 175.279 177.584 -0.928 0.000 1.101 140 A CA -1.697 49.573 52.037 -1.278 0.000 0.771 140 A CB 0.842 18.800 19.000 -1.736 0.000 1.287 140 A HN 0.350 nan 8.150 nan 0.000 0.436 141 P HA -0.130 nan 4.420 nan 0.000 0.222 141 P C 0.745 178.067 177.300 0.038 0.000 1.147 141 P CA 1.295 64.311 63.100 -0.140 0.000 0.790 141 P CB -0.150 31.531 31.700 -0.030 0.000 0.780 142 F N -3.530 116.533 119.950 0.188 0.000 2.773 142 F HA 0.366 4.994 4.527 0.169 0.000 0.304 142 F C 0.610 176.639 175.800 0.382 0.000 1.129 142 F CA -1.535 56.630 58.000 0.274 0.000 1.378 142 F CB -1.304 37.835 39.000 0.231 0.000 1.095 142 F HN -0.361 nan 8.300 nan 0.000 0.565 143 F N 2.703 122.641 119.950 -0.020 0.000 2.518 143 F HA 0.250 5.420 4.527 1.071 0.000 0.359 143 F C 1.409 177.289 175.800 0.133 0.000 1.118 143 F CA -1.306 56.733 58.000 0.066 0.000 1.287 143 F CB 0.528 39.527 39.000 -0.001 0.000 1.132 143 F HN 0.090 nan 8.300 nan 0.000 0.587 144 T N 0.927 115.628 114.554 0.244 0.000 2.754 144 T HA 0.225 5.208 4.350 1.055 0.000 0.286 144 T C 1.145 175.937 174.700 0.152 0.000 0.997 144 T CA -0.763 61.441 62.100 0.174 0.000 0.982 144 T CB 0.763 69.689 68.868 0.097 0.000 1.027 144 T HN 0.467 nan 8.240 nan 0.000 0.529 145 L N 1.339 122.631 121.223 0.116 0.000 2.046 145 L HA 0.173 5.146 4.340 1.055 0.000 0.208 145 L C -0.878 176.032 176.870 0.067 0.000 1.077 145 L CA 1.518 56.412 54.840 0.089 0.000 0.747 145 L CB -1.694 40.402 42.059 0.063 0.000 0.896 145 L HN 0.522 nan 8.230 nan 0.000 0.432 146 P HA -0.183 nan 4.420 nan 0.000 0.216 146 P C 1.471 178.783 177.300 0.020 0.000 1.150 146 P CA 1.496 64.612 63.100 0.027 0.000 0.837 146 P CB -0.012 31.694 31.700 0.011 0.000 0.786 147 Q N -1.017 118.776 119.800 -0.011 0.000 2.119 147 Q HA -0.074 4.898 4.340 1.055 0.000 0.201 147 Q C 2.153 178.219 176.000 0.110 0.000 0.972 147 Q CA 1.035 56.766 55.803 -0.120 0.000 0.847 147 Q CB -0.596 27.865 28.738 -0.462 0.000 0.903 147 Q HN 0.285 nan 8.270 nan 0.000 0.433 148 L N 0.596 121.966 121.223 0.244 0.000 2.046 148 L HA -0.213 4.760 4.340 1.055 0.000 0.208 148 L C 2.278 179.297 176.870 0.248 0.000 1.077 148 L CA 1.315 56.356 54.840 0.335 0.000 0.747 148 L CB -0.320 41.848 42.059 0.182 0.000 0.896 148 L HN 0.133 nan 8.230 nan 0.000 0.432 149 K N -0.179 120.297 120.400 0.126 0.000 2.057 149 K HA -0.177 4.776 4.320 1.055 0.000 0.207 149 K C 1.755 178.464 176.600 0.182 0.000 1.049 149 K CA 1.543 57.895 56.287 0.108 0.000 0.931 149 K CB -0.208 32.326 32.500 0.055 0.000 0.714 149 K HN 0.235 nan 8.250 nan 0.000 0.440 150 D N 0.446 120.932 120.400 0.144 0.000 2.123 150 D HA -0.154 5.119 4.640 1.055 0.000 0.196 150 D C 2.110 178.529 176.300 0.199 0.000 0.992 150 D CA 1.769 55.843 54.000 0.124 0.000 0.833 150 D CB -0.352 40.481 40.800 0.055 0.000 0.954 150 D HN 0.204 nan 8.370 nan 0.000 0.455 151 S N -0.172 115.722 115.700 0.324 0.000 2.368 151 S HA -0.171 4.932 4.470 1.055 0.000 0.225 151 S C 2.066 176.925 174.600 0.432 0.000 1.030 151 S CA 0.706 59.165 58.200 0.432 0.000 0.999 151 S CB -0.714 62.880 63.200 0.656 0.000 0.844 151 S HN 0.088 nan 8.310 nan 0.000 0.459 152 F N 2.270 122.373 119.950 0.255 0.000 2.163 152 F HA 0.238 5.392 4.527 1.045 0.000 0.297 152 F C 2.766 178.566 175.800 0.000 0.000 1.094 152 F CA 0.744 58.852 58.000 0.180 0.000 1.290 152 F CB -0.527 38.613 39.000 0.234 0.000 1.017 152 F HN 0.105 nan 8.300 nan 0.000 0.483 153 R N -0.111 120.520 120.500 0.218 0.000 2.096 153 R HA -0.213 4.760 4.340 1.055 0.000 0.235 153 R C 1.905 178.209 176.300 0.007 0.000 1.127 153 R CA 1.516 57.670 56.100 0.090 0.000 0.968 153 R CB -0.765 29.587 30.300 0.086 0.000 0.861 153 R HN 0.242 nan 8.270 nan 0.000 0.440 154 N N 0.690 119.397 118.700 0.010 0.000 2.205 154 N HA -0.142 5.230 4.740 1.055 0.000 0.186 154 N C 1.481 176.912 175.510 -0.132 0.000 1.015 154 N CA 1.533 54.561 53.050 -0.038 0.000 0.862 154 N CB 0.150 38.639 38.487 0.003 0.000 0.986 154 N HN 0.184 nan 8.380 nan 0.000 0.429 155 V N -4.629 115.130 119.914 -0.258 0.000 3.647 155 V HA 0.550 5.303 4.120 1.055 0.000 0.279 155 V C 1.199 177.114 176.094 -0.298 0.000 1.314 155 V CA 0.525 62.594 62.300 -0.385 0.000 1.125 155 V CB -0.100 31.241 31.823 -0.804 0.000 0.907 155 V HN 0.309 nan 8.190 nan 0.000 0.434 156 G N 0.629 109.316 108.800 -0.189 0.000 2.192 156 G HA2 -0.149 4.444 3.960 1.055 0.000 0.193 156 G HA3 -0.149 4.444 3.960 1.055 0.000 0.193 156 G C -0.169 174.691 174.900 -0.068 0.000 0.999 156 G CA -0.051 44.979 45.100 -0.118 0.000 0.659 156 G HN 0.483 nan 8.290 nan 0.000 0.503 157 L N 1.650 122.847 121.223 -0.043 0.000 2.321 157 L HA 0.400 5.373 4.340 1.055 0.000 0.272 157 L C 1.004 177.957 176.870 0.138 0.000 1.050 157 L CA -0.919 53.966 54.840 0.075 0.000 0.893 157 L CB 0.830 42.990 42.059 0.169 0.000 1.272 157 L HN -0.035 nan 8.230 nan 0.000 0.435 158 N N 1.578 120.328 118.700 0.083 0.000 2.354 158 N HA -0.005 5.368 4.740 1.055 0.000 0.179 158 N C 0.491 176.050 175.510 0.081 0.000 1.021 158 N CA 0.627 53.723 53.050 0.076 0.000 0.887 158 N CB 0.194 38.706 38.487 0.043 0.000 0.974 158 N HN 0.470 nan 8.380 nan 0.000 0.437 159 R N 0.364 120.916 120.500 0.088 0.000 2.438 159 R HA 0.225 5.198 4.340 1.055 0.000 0.287 159 R C 1.071 177.417 176.300 0.077 0.000 1.077 159 R CA -0.122 56.023 56.100 0.075 0.000 1.034 159 R CB 0.665 31.008 30.300 0.073 0.000 0.993 159 R HN -0.037 nan 8.270 nan 0.000 0.459 160 S N 0.836 116.563 115.700 0.046 0.000 2.419 160 S HA -0.157 4.946 4.470 1.055 0.000 0.233 160 S C 1.836 176.467 174.600 0.052 0.000 1.016 160 S CA 1.367 59.581 58.200 0.023 0.000 0.974 160 S CB -0.030 63.172 63.200 0.004 0.000 0.786 160 S HN 0.694 nan 8.310 nan 0.000 0.492 161 S N 1.302 117.055 115.700 0.089 0.000 2.402 161 S HA -0.134 4.969 4.470 1.055 0.000 0.229 161 S C 1.455 176.179 174.600 0.207 0.000 1.021 161 S CA 1.079 59.382 58.200 0.171 0.000 0.974 161 S CB -0.366 62.938 63.200 0.173 0.000 0.800 161 S HN 0.417 nan 8.310 nan 0.000 0.484 162 D N 1.197 121.694 120.400 0.162 0.000 2.084 162 D HA -0.092 5.181 4.640 1.055 0.000 0.194 162 D C 1.930 178.364 176.300 0.222 0.000 0.990 162 D CA 1.062 55.190 54.000 0.212 0.000 0.826 162 D CB -0.559 40.409 40.800 0.279 0.000 0.971 162 D HN 0.377 nan 8.370 nan 0.000 0.453 163 L N 0.827 122.062 121.223 0.021 0.000 2.017 163 L HA -0.134 4.838 4.340 1.055 0.000 0.208 163 L C 2.249 179.072 176.870 -0.078 0.000 1.073 163 L CA 1.381 55.994 54.840 -0.378 0.000 0.745 163 L CB -0.469 41.268 42.059 -0.537 0.000 0.894 163 L HN -0.135 nan 8.230 nan 0.000 0.432 164 V N -0.021 119.958 119.914 0.109 0.000 2.379 164 V HA -0.199 4.554 4.120 1.055 0.000 0.245 164 V C 2.763 179.197 176.094 0.567 0.000 1.044 164 V CA 1.480 63.963 62.300 0.305 0.000 1.036 164 V CB -1.360 30.608 31.823 0.242 0.000 0.664 164 V HN 0.587 nan 8.190 nan 0.000 0.453 165 A N -0.089 123.082 122.820 0.586 0.000 1.873 165 A HA -0.104 4.849 4.320 1.055 0.000 0.215 165 A C 2.195 180.110 177.584 0.552 0.000 1.186 165 A CA 1.599 53.993 52.037 0.597 0.000 0.616 165 A CB -0.560 18.634 19.000 0.323 0.000 0.823 165 A HN 0.479 nan 8.150 nan 0.000 0.442 166 L N -0.187 121.223 121.223 0.311 0.000 2.191 166 L HA -0.126 4.847 4.340 1.055 0.000 0.212 166 L C 2.559 179.450 176.870 0.035 0.000 1.103 166 L CA 1.173 56.136 54.840 0.204 0.000 0.769 166 L CB -0.314 41.834 42.059 0.150 0.000 0.908 166 L HN 0.287 nan 8.230 nan 0.000 0.438 167 S N 0.079 115.749 115.700 -0.049 0.000 2.474 167 S HA -0.088 5.015 4.470 1.055 0.000 0.235 167 S C 1.944 176.087 174.600 -0.762 0.000 0.997 167 S CA 0.915 58.887 58.200 -0.380 0.000 0.949 167 S CB -0.321 62.795 63.200 -0.142 0.000 0.766 167 S HN 0.620 nan 8.310 nan 0.000 0.517 168 G N 1.091 109.669 108.800 -0.369 0.000 2.586 168 G HA2 0.000 4.593 3.960 1.055 0.000 0.215 168 G HA3 0.000 4.593 3.960 1.055 0.000 0.215 168 G C 1.241 175.793 174.900 -0.579 0.000 1.128 168 G CA 0.579 45.297 45.100 -0.637 0.000 0.774 168 G HN 0.550 nan 8.290 nan 0.000 0.543 169 G N -0.515 108.104 108.800 -0.302 0.000 2.559 169 G HA2 -0.115 4.478 3.960 1.055 0.000 0.216 169 G HA3 -0.115 4.478 3.960 1.055 0.000 0.216 169 G C 1.082 175.929 174.900 -0.089 0.000 1.126 169 G CA 0.231 45.303 45.100 -0.046 0.000 0.778 169 G HN 0.681 nan 8.290 nan 0.000 0.543 170 H N -0.604 118.122 119.070 -0.574 0.000 2.592 170 H HA 0.137 5.323 4.556 1.050 0.000 0.291 170 H C 1.982 177.168 175.328 -0.236 0.000 1.052 170 H CA 0.202 55.900 56.048 -0.582 0.000 1.175 170 H CB 0.538 29.877 29.762 -0.704 0.000 1.378 170 H HN 0.248 nan 8.280 nan 0.000 0.576 171 T N 0.712 115.123 114.554 -0.238 0.000 3.113 171 T HA -0.014 4.969 4.350 1.055 0.000 0.256 171 T C -0.164 174.579 174.700 0.071 0.000 1.131 171 T CA 0.160 62.145 62.100 -0.192 0.000 1.074 171 T CB -0.070 68.439 68.868 -0.599 0.000 0.944 171 T HN 0.334 nan 8.240 nan 0.000 0.516 172 F N -1.604 118.335 119.950 -0.019 0.000 2.789 172 F HA 0.716 5.876 4.527 1.054 0.000 0.319 172 F C 0.017 175.887 175.800 0.118 0.000 1.168 172 F CA -1.786 56.257 58.000 0.072 0.000 0.934 172 F CB 0.784 39.833 39.000 0.083 0.000 1.375 172 F HN 0.135 nan 8.300 nan 0.000 0.480 173 G N 1.374 110.235 108.800 0.102 0.000 2.710 173 G HA2 0.209 4.802 3.960 1.055 0.000 0.668 173 G HA3 0.209 4.802 3.960 1.055 0.000 0.668 173 G C -1.667 173.376 174.900 0.239 0.000 1.320 173 G CA -0.757 44.351 45.100 0.015 0.000 0.860 173 G HN 0.783 nan 8.290 nan 0.000 0.538 174 K N -0.027 120.497 120.400 0.206 0.000 2.295 174 K HA 0.701 5.653 4.320 1.055 0.000 0.239 174 K C -0.210 176.488 176.600 0.163 0.000 0.991 174 K CA -0.998 55.382 56.287 0.154 0.000 0.845 174 K CB 2.066 34.609 32.500 0.072 0.000 1.197 174 K HN 0.803 nan 8.250 nan 0.000 0.441 175 N N 0.504 119.161 118.700 -0.073 0.000 2.336 175 N HA 0.098 5.471 4.740 1.055 0.000 0.290 175 N C -1.435 174.079 175.510 0.006 0.000 1.058 175 N CA -0.369 52.614 53.050 -0.112 0.000 0.865 175 N CB 1.466 39.528 38.487 -0.708 0.000 1.581 175 N HN 0.297 nan 8.380 nan 0.000 0.480 176 Q N 1.824 121.727 119.800 0.173 0.000 2.327 176 Q HA 0.184 5.157 4.340 1.055 0.000 0.254 176 Q C 0.664 176.644 176.000 -0.034 0.000 0.952 176 Q CA -0.504 55.321 55.803 0.036 0.000 0.884 176 Q CB 1.036 29.741 28.738 -0.055 0.000 1.224 176 Q HN 0.747 nan 8.270 nan 0.000 0.422 177 c N 1.746 120.307 118.600 -0.065 0.000 2.403 177 c HA -0.218 4.985 4.570 1.055 0.000 0.277 177 c C 2.455 176.497 174.090 -0.080 0.000 1.248 177 c CA 1.368 57.664 56.329 -0.056 0.000 1.762 177 c CB -1.171 41.316 42.510 -0.037 0.000 2.014 177 c HN 0.957 nan 8.230 nan 0.000 0.486 178 R N 0.248 120.625 120.500 -0.205 0.000 2.139 178 R HA -0.178 4.795 4.340 1.055 0.000 0.243 178 R C 1.559 177.731 176.300 -0.214 0.000 1.145 178 R CA 2.108 58.041 56.100 -0.277 0.000 0.976 178 R CB -0.949 29.062 30.300 -0.481 0.000 0.866 178 R HN 0.410 nan 8.270 nan 0.000 0.449 179 F N 1.507 121.498 119.950 0.069 0.000 2.748 179 F HA 0.182 5.253 4.527 0.907 0.000 0.299 179 F C 1.855 177.710 175.800 0.092 0.000 1.154 179 F CA 0.111 58.171 58.000 0.100 0.000 1.446 179 F CB 0.040 39.090 39.000 0.083 0.000 1.112 179 F HN 0.154 nan 8.300 nan 0.000 0.584 180 I N -5.113 115.558 120.570 0.169 0.000 4.338 180 I HA 0.107 4.910 4.170 1.055 0.000 0.329 180 I C 1.538 177.699 176.117 0.074 0.000 1.378 180 I CA 0.018 61.380 61.300 0.103 0.000 1.170 180 I CB -0.049 37.951 38.000 -0.001 0.000 1.206 180 I HN -0.200 nan 8.210 nan 0.000 0.432 181 M N 2.683 122.346 119.600 0.105 0.000 2.144 181 M HA -0.177 4.936 4.480 1.055 0.000 0.260 181 M C 1.996 178.409 176.300 0.188 0.000 1.067 181 M CA 2.108 57.505 55.300 0.161 0.000 1.095 181 M CB -1.152 31.537 32.600 0.148 0.000 1.365 181 M HN 0.587 nan 8.290 nan 0.000 0.406 182 D N -0.050 120.464 120.400 0.189 0.000 2.117 182 D HA -0.192 5.080 4.640 1.055 0.000 0.198 182 D C 1.911 178.381 176.300 0.285 0.000 0.982 182 D CA 1.226 55.368 54.000 0.237 0.000 0.828 182 D CB -0.676 40.270 40.800 0.243 0.000 0.967 182 D HN 0.376 nan 8.370 nan 0.000 0.464 183 R N 0.051 120.681 120.500 0.216 0.000 2.120 183 R HA 0.039 5.012 4.340 1.055 0.000 0.234 183 R C 2.615 178.830 176.300 -0.142 0.000 1.123 183 R CA 0.828 56.919 56.100 -0.014 0.000 0.975 183 R CB -0.223 30.002 30.300 -0.126 0.000 0.866 183 R HN 0.315 nan 8.270 nan 0.000 0.446 184 L N -1.506 119.585 121.223 -0.221 0.000 2.209 184 L HA -0.039 4.934 4.340 1.055 0.000 0.207 184 L C 1.234 177.660 176.870 -0.740 0.000 1.094 184 L CA 1.103 55.598 54.840 -0.575 0.000 0.790 184 L CB -0.047 41.484 42.059 -0.880 0.000 0.932 184 L HN 0.168 nan 8.230 nan 0.000 0.447 185 Y N -2.406 117.916 120.300 0.035 0.000 2.494 185 Y HA 0.245 5.425 4.550 1.049 0.000 0.271 185 Y C 0.535 176.469 175.900 0.057 0.000 1.113 185 Y CA -0.736 57.385 58.100 0.035 0.000 1.240 185 Y CB 0.513 38.984 38.460 0.018 0.000 1.268 185 Y HN 0.042 nan 8.280 nan 0.000 0.510 186 N N 0.227 119.058 118.700 0.218 0.000 2.839 186 N HA 0.099 5.472 4.740 1.055 0.000 0.230 186 N C -2.014 173.611 175.510 0.190 0.000 1.388 186 N CA -0.297 52.855 53.050 0.169 0.000 0.747 186 N CB -0.063 38.499 38.487 0.125 0.000 1.411 186 N HN 0.005 nan 8.380 nan 0.000 0.556 187 F N 2.636 122.608 119.950 0.037 0.000 2.420 187 F HA 0.364 5.518 4.527 1.045 0.000 0.352 187 F C 0.923 176.744 175.800 0.034 0.000 1.108 187 F CA 0.064 58.086 58.000 0.036 0.000 1.162 187 F CB 0.745 39.763 39.000 0.030 0.000 1.118 187 F HN 0.489 nan 8.300 nan 0.000 0.510 188 S N 5.056 120.428 115.700 -0.547 0.000 3.614 188 S HA -0.291 4.811 4.470 1.055 0.000 0.360 188 S C 0.166 174.676 174.600 -0.150 0.000 1.023 188 S CA 0.849 58.811 58.200 -0.397 0.000 1.114 188 S CB -1.776 61.155 63.200 -0.448 0.000 0.907 188 S HN 0.890 nan 8.310 nan 0.000 0.470 189 N N -1.572 117.075 118.700 -0.088 0.000 2.740 189 N HA -0.205 5.167 4.740 1.055 0.000 0.248 189 N C 0.757 176.265 175.510 -0.003 0.000 1.062 189 N CA 1.482 54.511 53.050 -0.034 0.000 0.704 189 N CB -1.723 36.736 38.487 -0.046 0.000 0.968 189 N HN 0.984 nan 8.380 nan 0.000 0.547 190 T N -5.002 109.568 114.554 0.027 0.000 3.001 190 T HA 0.373 5.356 4.350 1.055 0.000 0.251 190 T C 1.446 176.180 174.700 0.056 0.000 1.040 190 T CA 1.058 63.186 62.100 0.046 0.000 0.985 190 T CB 0.779 69.693 68.868 0.077 0.000 1.011 190 T HN 0.618 nan 8.240 nan 0.000 0.509 191 G N 1.381 110.221 108.800 0.067 0.000 2.168 191 G HA2 -0.208 4.385 3.960 1.055 0.000 0.263 191 G HA3 -0.208 4.385 3.960 1.055 0.000 0.263 191 G C -0.119 174.834 174.900 0.088 0.000 0.977 191 G CA 0.570 45.714 45.100 0.073 0.000 0.659 191 G HN 0.644 nan 8.290 nan 0.000 0.533 192 L N 0.933 122.215 121.223 0.098 0.000 2.323 192 L HA 0.593 5.565 4.340 1.055 0.000 0.265 192 L C -1.874 175.058 176.870 0.102 0.000 1.012 192 L CA -2.662 52.230 54.840 0.087 0.000 0.820 192 L CB 2.389 44.492 42.059 0.072 0.000 1.334 192 L HN -0.120 nan 8.230 nan 0.000 0.427 193 P HA -0.004 nan 4.420 nan 0.000 0.274 193 P C -1.102 176.174 177.300 -0.041 0.000 1.246 193 P CA -0.334 62.752 63.100 -0.025 0.000 0.795 193 P CB 0.646 32.284 31.700 -0.104 0.000 1.006 194 D N 1.787 122.049 120.400 -0.230 0.000 2.434 194 D HA 0.002 5.275 4.640 1.055 0.000 0.252 194 D C -1.066 175.087 176.300 -0.245 0.000 1.185 194 D CA -1.818 51.866 54.000 -0.525 0.000 0.886 194 D CB 0.302 40.486 40.800 -1.026 0.000 1.148 194 D HN 0.195 nan 8.370 nan 0.000 0.483 195 P HA -0.109 nan 4.420 nan 0.000 0.228 195 P C 0.812 178.075 177.300 -0.060 0.000 1.151 195 P CA 0.887 63.953 63.100 -0.056 0.000 0.770 195 P CB -0.074 31.626 31.700 -0.000 0.000 0.786 196 T N -3.410 111.085 114.554 -0.099 0.000 3.169 196 T HA 0.188 5.171 4.350 1.055 0.000 0.250 196 T C 0.488 175.156 174.700 -0.053 0.000 1.111 196 T CA -0.397 61.672 62.100 -0.052 0.000 1.010 196 T CB -0.562 68.285 68.868 -0.035 0.000 0.984 196 T HN -0.093 nan 8.240 nan 0.000 0.537 197 L N 3.024 124.195 121.223 -0.087 0.000 2.272 197 L HA 0.440 5.413 4.340 1.055 0.000 0.289 197 L C -0.059 176.802 176.870 -0.016 0.000 1.032 197 L CA -0.991 53.816 54.840 -0.055 0.000 0.810 197 L CB 0.888 42.873 42.059 -0.123 0.000 1.205 197 L HN 0.175 nan 8.230 nan 0.000 0.422 198 N N 2.468 121.188 118.700 0.034 0.000 2.294 198 N HA -0.142 5.231 4.740 1.055 0.000 0.263 198 N C 0.919 176.450 175.510 0.036 0.000 1.281 198 N CA 0.964 54.036 53.050 0.038 0.000 0.846 198 N CB 1.051 39.567 38.487 0.048 0.000 1.061 198 N HN 0.888 nan 8.380 nan 0.000 0.478 199 T N 0.621 115.181 114.554 0.011 0.000 2.881 199 T HA -0.113 4.870 4.350 1.055 0.000 0.270 199 T C 1.657 176.364 174.700 0.011 0.000 1.068 199 T CA 1.619 63.718 62.100 -0.002 0.000 1.131 199 T CB -0.260 68.604 68.868 -0.006 0.000 0.871 199 T HN 0.514 nan 8.240 nan 0.000 0.479 200 T N 0.584 115.159 114.554 0.035 0.000 2.851 200 T HA 0.019 5.001 4.350 1.055 0.000 0.262 200 T C 1.447 176.205 174.700 0.097 0.000 1.043 200 T CA 0.927 63.054 62.100 0.046 0.000 1.140 200 T CB -0.529 68.361 68.868 0.036 0.000 0.872 200 T HN 0.422 nan 8.240 nan 0.000 0.446 201 Y N 1.945 122.214 120.300 -0.052 0.000 2.293 201 Y HA 0.002 5.185 4.550 1.055 0.000 0.291 201 Y C 2.051 177.910 175.900 -0.069 0.000 1.137 201 Y CA 0.096 58.161 58.100 -0.058 0.000 1.202 201 Y CB -0.752 37.668 38.460 -0.067 0.000 0.990 201 Y HN 0.108 nan 8.280 nan 0.000 0.537 202 L N 0.478 121.666 121.223 -0.059 0.000 2.012 202 L HA -0.256 4.716 4.340 1.055 0.000 0.210 202 L C 2.135 178.909 176.870 -0.161 0.000 1.073 202 L CA 2.003 56.739 54.840 -0.173 0.000 0.748 202 L CB -0.877 41.109 42.059 -0.122 0.000 0.891 202 L HN 0.175 nan 8.230 nan 0.000 0.431 203 Q N -0.750 119.004 119.800 -0.077 0.000 2.084 203 Q HA -0.154 4.818 4.340 1.055 0.000 0.202 203 Q C 2.191 178.160 176.000 -0.051 0.000 0.978 203 Q CA 2.178 57.952 55.803 -0.049 0.000 0.844 203 Q CB -1.069 27.662 28.738 -0.012 0.000 0.898 203 Q HN 0.567 nan 8.270 nan 0.000 0.426 204 T N 2.116 116.644 114.554 -0.043 0.000 2.708 204 T HA -0.075 4.908 4.350 1.055 0.000 0.266 204 T C 2.095 176.729 174.700 -0.110 0.000 1.037 204 T CA 0.928 63.009 62.100 -0.031 0.000 1.146 204 T CB -0.251 68.657 68.868 0.067 0.000 0.865 204 T HN 0.159 nan 8.240 nan 0.000 0.435 205 L N 0.215 121.285 121.223 -0.254 0.000 2.141 205 L HA -0.023 4.950 4.340 1.055 0.000 0.209 205 L C 2.844 179.617 176.870 -0.160 0.000 1.094 205 L CA 1.183 55.852 54.840 -0.284 0.000 0.763 205 L CB -0.439 41.337 42.059 -0.472 0.000 0.908 205 L HN 0.145 nan 8.230 nan 0.000 0.437 206 R N -0.169 120.248 120.500 -0.138 0.000 2.115 206 R HA -0.085 4.888 4.340 1.055 0.000 0.230 206 R C 2.335 178.664 176.300 0.048 0.000 1.111 206 R CA 1.096 57.181 56.100 -0.024 0.000 0.976 206 R CB -0.474 29.812 30.300 -0.023 0.000 0.870 206 R HN 0.412 nan 8.270 nan 0.000 0.445 207 G N 0.485 109.286 108.800 0.002 0.000 2.421 207 G HA2 -0.163 4.429 3.960 1.055 0.000 0.217 207 G HA3 -0.163 4.429 3.960 1.055 0.000 0.217 207 G C 1.350 176.253 174.900 0.006 0.000 1.143 207 G CA 0.225 45.332 45.100 0.012 0.000 0.784 207 G HN 0.134 nan 8.290 nan 0.000 0.541 208 L N -0.350 120.866 121.223 -0.013 0.000 2.209 208 L HA 0.151 5.124 4.340 1.055 0.000 0.207 208 L C 0.558 177.425 176.870 -0.005 0.000 1.094 208 L CA 0.201 55.032 54.840 -0.016 0.000 0.790 208 L CB 0.223 42.259 42.059 -0.038 0.000 0.932 208 L HN 0.123 nan 8.230 nan 0.000 0.447 209 c N 0.972 119.579 118.600 0.012 0.000 3.169 209 c HA 0.345 5.548 4.570 1.055 0.000 0.232 209 c C -2.085 172.090 174.090 0.143 0.000 1.316 209 c CA -1.588 54.770 56.329 0.049 0.000 1.545 209 c CB -0.264 42.266 42.510 0.032 0.000 1.785 209 c HN 0.109 nan 8.230 nan 0.000 0.454 210 P HA 0.107 nan 4.420 nan 0.000 0.272 210 P C -0.167 177.091 177.300 -0.070 0.000 1.230 210 P CA 0.103 63.243 63.100 0.067 0.000 0.788 210 P CB 1.095 32.800 31.700 0.009 0.000 0.949 211 L N 2.553 123.555 121.223 -0.368 0.000 2.490 211 L HA -0.046 4.927 4.340 1.055 0.000 0.274 211 L C 1.203 177.938 176.870 -0.225 0.000 1.201 211 L CA 0.739 55.275 54.840 -0.506 0.000 0.869 211 L CB -0.857 40.758 42.059 -0.739 0.000 1.123 211 L HN 0.624 nan 8.230 nan 0.000 0.484 212 N N 0.583 119.188 118.700 -0.159 0.000 2.800 212 N HA -0.173 5.200 4.740 1.055 0.000 0.250 212 N C 0.366 175.836 175.510 -0.067 0.000 1.078 212 N CA 0.284 53.276 53.050 -0.096 0.000 0.804 212 N CB -0.866 37.564 38.487 -0.094 0.000 1.135 212 N HN 0.825 nan 8.380 nan 0.000 0.565 213 G N 0.506 109.271 108.800 -0.059 0.000 2.531 213 G HA2 0.309 4.901 3.960 1.055 0.000 0.281 213 G HA3 0.309 4.901 3.960 1.055 0.000 0.281 213 G C -0.020 174.863 174.900 -0.030 0.000 1.382 213 G CA -0.228 44.850 45.100 -0.036 0.000 1.045 213 G HN 0.204 nan 8.290 nan 0.000 0.533 214 N N 0.212 118.898 118.700 -0.023 0.000 2.406 214 N HA 0.064 5.437 4.740 1.055 0.000 0.265 214 N C 1.495 176.986 175.510 -0.031 0.000 1.203 214 N CA -0.063 52.972 53.050 -0.024 0.000 0.945 214 N CB 0.268 38.745 38.487 -0.017 0.000 1.165 214 N HN 0.337 nan 8.380 nan 0.000 0.485 215 L N 1.658 122.855 121.223 -0.043 0.000 2.362 215 L HA -0.071 4.902 4.340 1.055 0.000 0.219 215 L C 1.435 178.253 176.870 -0.088 0.000 1.134 215 L CA 0.653 55.452 54.840 -0.069 0.000 0.807 215 L CB -0.183 41.825 42.059 -0.085 0.000 0.927 215 L HN 0.475 nan 8.230 nan 0.000 0.447 216 S N -0.217 115.449 115.700 -0.057 0.000 2.593 216 S HA 0.222 5.324 4.470 1.055 0.000 0.217 216 S C 1.066 175.652 174.600 -0.023 0.000 0.966 216 S CA -0.051 58.123 58.200 -0.043 0.000 0.914 216 S CB -0.051 63.137 63.200 -0.019 0.000 0.776 216 S HN 0.366 nan 8.310 nan 0.000 0.523 217 A N 1.699 124.504 122.820 -0.025 0.000 2.531 217 A HA 0.378 5.330 4.320 1.055 0.000 0.236 217 A C -0.008 177.568 177.584 -0.014 0.000 1.062 217 A CA 0.158 52.186 52.037 -0.015 0.000 0.760 217 A CB -0.033 18.958 19.000 -0.016 0.000 0.995 217 A HN 0.469 nan 8.150 nan 0.000 0.501 218 L N 2.598 123.818 121.223 -0.005 0.000 2.309 218 L HA 0.643 5.616 4.340 1.055 0.000 0.282 218 L C 0.003 176.863 176.870 -0.018 0.000 1.036 218 L CA -0.633 54.205 54.840 -0.004 0.000 0.806 218 L CB 1.389 43.456 42.059 0.014 0.000 1.220 218 L HN 0.548 nan 8.230 nan 0.000 0.429 219 V N 1.876 121.762 119.914 -0.046 0.000 2.914 219 V HA 0.435 5.188 4.120 1.055 0.000 0.314 219 V C -0.866 175.186 176.094 -0.069 0.000 1.084 219 V CA -0.680 61.586 62.300 -0.056 0.000 0.963 219 V CB 2.505 34.272 31.823 -0.092 0.000 1.025 219 V HN 0.669 nan 8.190 nan 0.000 0.432 220 D N 3.744 124.139 120.400 -0.008 0.000 2.389 220 D HA 0.159 5.432 4.640 1.055 0.000 0.247 220 D C 0.494 176.819 176.300 0.041 0.000 1.128 220 D CA 0.314 54.344 54.000 0.050 0.000 0.884 220 D CB 1.372 42.227 40.800 0.091 0.000 1.194 220 D HN 0.558 nan 8.370 nan 0.000 0.441 221 F N 0.524 120.516 119.950 0.070 0.000 2.186 221 F HA -0.142 5.010 4.527 1.040 0.000 0.299 221 F C 1.338 177.207 175.800 0.117 0.000 1.090 221 F CA 0.940 58.986 58.000 0.078 0.000 1.307 221 F CB 0.268 39.303 39.000 0.058 0.000 1.019 221 F HN 0.199 nan 8.300 nan 0.000 0.489 222 D N 0.135 120.709 120.400 0.290 0.000 2.453 222 D HA 0.141 5.414 4.640 1.055 0.000 0.238 222 D C 0.917 177.267 176.300 0.084 0.000 1.088 222 D CA -0.245 53.853 54.000 0.163 0.000 0.854 222 D CB 0.879 41.768 40.800 0.149 0.000 1.076 222 D HN 0.237 nan 8.370 nan 0.000 0.533 223 L N 1.957 123.187 121.223 0.012 0.000 2.376 223 L HA 0.133 5.106 4.340 1.055 0.000 0.219 223 L C 1.692 178.539 176.870 -0.038 0.000 1.133 223 L CA 0.376 55.205 54.840 -0.018 0.000 0.816 223 L CB 0.098 42.073 42.059 -0.141 0.000 0.933 223 L HN 0.137 nan 8.230 nan 0.000 0.449 224 R N 0.925 121.395 120.500 -0.050 0.000 2.052 224 R HA 0.051 5.023 4.340 1.055 0.000 0.224 224 R C 0.450 176.748 176.300 -0.003 0.000 1.149 224 R CA 1.530 57.604 56.100 -0.043 0.000 0.962 224 R CB -0.159 30.102 30.300 -0.065 0.000 0.856 224 R HN 0.538 nan 8.270 nan 0.000 0.433 225 T N -1.725 112.839 114.554 0.016 0.000 3.226 225 T HA 0.310 5.292 4.350 1.055 0.000 0.378 225 T C -2.491 172.260 174.700 0.085 0.000 1.380 225 T CA -1.879 60.247 62.100 0.044 0.000 1.396 225 T CB 1.698 70.588 68.868 0.036 0.000 1.044 225 T HN -0.160 nan 8.240 nan 0.000 0.586 226 P HA -0.149 nan 4.420 nan 0.000 0.217 226 P C 1.477 178.896 177.300 0.198 0.000 1.151 226 P CA 1.524 64.708 63.100 0.139 0.000 0.849 226 P CB 0.081 31.843 31.700 0.104 0.000 0.787 227 T N -5.988 108.678 114.554 0.187 0.000 3.043 227 T HA 0.293 5.276 4.350 1.055 0.000 0.272 227 T C 0.434 175.314 174.700 0.299 0.000 0.990 227 T CA -0.216 62.037 62.100 0.255 0.000 0.897 227 T CB -0.392 68.575 68.868 0.165 0.000 1.111 227 T HN -0.092 nan 8.240 nan 0.000 0.529 228 I N 1.979 122.668 120.570 0.199 0.000 2.359 228 I HA 0.417 5.219 4.170 1.055 0.000 0.294 228 I C -0.666 175.477 176.117 0.043 0.000 0.987 228 I CA -1.257 60.129 61.300 0.143 0.000 1.225 228 I CB 1.333 39.394 38.000 0.102 0.000 1.366 228 I HN 0.116 nan 8.210 nan 0.000 0.466 229 F N 7.820 127.680 119.950 -0.150 0.000 2.439 229 F HA 0.212 5.371 4.527 1.053 0.000 0.356 229 F C -0.058 175.742 175.800 -0.001 0.000 1.161 229 F CA -0.086 57.707 58.000 -0.346 0.000 1.151 229 F CB -0.204 38.457 39.000 -0.565 0.000 1.222 229 F HN 0.560 nan 8.300 nan 0.000 0.558 230 D N 2.570 122.873 120.400 -0.161 0.000 2.759 230 D HA 0.134 5.407 4.640 1.055 0.000 0.321 230 D C -0.216 176.114 176.300 0.049 0.000 1.267 230 D CA -0.747 53.347 54.000 0.156 0.000 0.933 230 D CB 0.141 40.998 40.800 0.095 0.000 1.431 230 D HN 0.244 nan 8.370 nan 0.000 0.504 231 N N -0.336 118.408 118.700 0.073 0.000 2.383 231 N HA -0.059 5.313 4.740 1.055 0.000 0.192 231 N C 0.532 176.018 175.510 -0.039 0.000 1.141 231 N CA -0.048 52.960 53.050 -0.071 0.000 0.851 231 N CB 0.021 38.504 38.487 -0.007 0.000 0.976 231 N HN 0.196 nan 8.380 nan 0.000 0.465 232 K N 0.474 120.835 120.400 -0.066 0.000 2.209 232 K HA -0.171 4.782 4.320 1.055 0.000 0.204 232 K C 1.372 177.902 176.600 -0.118 0.000 1.048 232 K CA 0.619 56.861 56.287 -0.075 0.000 0.940 232 K CB -0.744 31.719 32.500 -0.061 0.000 0.729 232 K HN 0.428 nan 8.250 nan 0.000 0.451 233 Y N 0.722 120.825 120.300 -0.328 0.000 2.193 233 Y HA -0.321 4.859 4.550 1.050 0.000 0.285 233 Y C 1.777 177.377 175.900 -0.500 0.000 1.166 233 Y CA 1.664 59.497 58.100 -0.444 0.000 1.181 233 Y CB -0.383 37.679 38.460 -0.663 0.000 0.976 233 Y HN 0.016 nan 8.280 nan 0.000 0.520 234 Y N -1.297 118.870 120.300 -0.222 0.000 2.314 234 Y HA -0.121 5.064 4.550 1.057 0.000 0.293 234 Y C 2.491 178.192 175.900 -0.332 0.000 1.129 234 Y CA 1.216 59.142 58.100 -0.290 0.000 1.201 234 Y CB -0.757 37.616 38.460 -0.144 0.000 0.999 234 Y HN -0.027 nan 8.280 nan 0.000 0.541 235 V N 0.555 120.386 119.914 -0.138 0.000 2.407 235 V HA -0.289 4.463 4.120 1.055 0.000 0.248 235 V C 1.858 177.789 176.094 -0.273 0.000 1.055 235 V CA 1.862 64.053 62.300 -0.182 0.000 1.049 235 V CB -0.561 31.184 31.823 -0.131 0.000 0.662 235 V HN 0.469 nan 8.190 nan 0.000 0.455 236 N N 0.603 119.119 118.700 -0.307 0.000 2.069 236 N HA -0.133 5.239 4.740 1.055 0.000 0.191 236 N C 1.831 177.110 175.510 -0.385 0.000 1.031 236 N CA 1.457 54.304 53.050 -0.339 0.000 0.852 236 N CB -0.552 37.728 38.487 -0.345 0.000 1.018 236 N HN 0.391 nan 8.380 nan 0.000 0.423 237 L N 1.370 122.302 121.223 -0.485 0.000 2.042 237 L HA -0.157 4.815 4.340 1.055 0.000 0.210 237 L C 2.013 178.448 176.870 -0.726 0.000 1.076 237 L CA 1.306 55.850 54.840 -0.493 0.000 0.749 237 L CB -0.566 41.208 42.059 -0.476 0.000 0.893 237 L HN 0.233 nan 8.230 nan 0.000 0.432 238 E N 0.210 119.883 120.200 -0.878 0.000 2.265 238 E HA -0.198 4.785 4.350 1.055 0.000 0.196 238 E C 1.227 177.523 176.600 -0.507 0.000 0.996 238 E CA 0.922 56.656 56.400 -1.110 0.000 0.832 238 E CB -0.010 29.316 29.700 -0.624 0.000 0.756 238 E HN 0.599 nan 8.360 nan 0.000 0.491 239 E N 0.357 120.352 120.200 -0.341 0.000 2.465 239 E HA 0.013 4.996 4.350 1.055 0.000 0.195 239 E C -0.348 176.174 176.600 -0.130 0.000 1.028 239 E CA -0.113 56.176 56.400 -0.186 0.000 0.899 239 E CB 0.575 30.165 29.700 -0.183 0.000 1.032 239 E HN 0.065 nan 8.360 nan 0.000 0.468 240 Q N -0.188 119.535 119.800 -0.128 0.000 2.494 240 Q HA -0.214 4.759 4.340 1.055 0.000 0.272 240 Q C -0.027 175.952 176.000 -0.036 0.000 1.145 240 Q CA 0.960 56.739 55.803 -0.039 0.000 0.943 240 Q CB -2.088 26.657 28.738 0.011 0.000 1.338 240 Q HN 0.365 nan 8.270 nan 0.000 0.492 241 K N -0.223 120.105 120.400 -0.120 0.000 2.514 241 K HA 0.278 5.231 4.320 1.055 0.000 0.207 241 K C 0.861 177.425 176.600 -0.059 0.000 1.035 241 K CA 0.362 56.574 56.287 -0.124 0.000 1.113 241 K CB 0.909 33.144 32.500 -0.442 0.000 0.846 241 K HN 0.263 nan 8.250 nan 0.000 0.491 242 G N 0.984 109.748 108.800 -0.061 0.000 2.441 242 G HA2 0.049 4.642 3.960 1.055 0.000 0.243 242 G HA3 0.049 4.642 3.960 1.055 0.000 0.243 242 G C 0.688 175.653 174.900 0.108 0.000 1.281 242 G CA -0.435 44.636 45.100 -0.050 0.000 0.854 242 G HN 0.127 nan 8.290 nan 0.000 0.560 243 L N 3.006 124.324 121.223 0.158 0.000 2.023 243 L HA 0.228 5.201 4.340 1.055 0.000 0.205 243 L C 1.527 178.417 176.870 0.033 0.000 1.073 243 L CA 1.271 56.164 54.840 0.089 0.000 0.745 243 L CB -0.460 41.570 42.059 -0.048 0.000 0.900 243 L HN 0.648 nan 8.230 nan 0.000 0.435 244 I N -3.446 117.193 120.570 0.115 0.000 2.793 244 I HA 0.231 5.034 4.170 1.055 0.000 0.313 244 I C 1.260 177.469 176.117 0.152 0.000 0.998 244 I CA -0.618 60.761 61.300 0.132 0.000 1.140 244 I CB 1.007 39.118 38.000 0.184 0.000 1.327 244 I HN 0.264 nan 8.210 nan 0.000 0.491 245 Q N 2.293 122.193 119.800 0.166 0.000 2.096 245 Q HA -0.234 4.739 4.340 1.055 0.000 0.208 245 Q C 1.986 178.102 176.000 0.193 0.000 0.993 245 Q CA 3.348 59.263 55.803 0.185 0.000 0.862 245 Q CB -0.069 28.861 28.738 0.321 0.000 0.915 245 Q HN 0.959 nan 8.270 nan 0.000 0.416 246 S N -0.025 115.799 115.700 0.206 0.000 2.442 246 S HA -0.159 4.944 4.470 1.055 0.000 0.236 246 S C 1.231 175.953 174.600 0.203 0.000 1.007 246 S CA 1.226 59.543 58.200 0.196 0.000 0.965 246 S CB -0.192 63.111 63.200 0.171 0.000 0.773 246 S HN 0.401 nan 8.310 nan 0.000 0.504 247 D N 1.464 122.010 120.400 0.243 0.000 2.085 247 D HA -0.042 5.231 4.640 1.055 0.000 0.199 247 D C 2.145 178.516 176.300 0.118 0.000 0.981 247 D CA 1.259 55.410 54.000 0.252 0.000 0.834 247 D CB -0.614 40.365 40.800 0.297 0.000 0.992 247 D HN 0.366 nan 8.370 nan 0.000 0.457 248 Q N 1.120 120.975 119.800 0.091 0.000 2.226 248 Q HA -0.120 4.852 4.340 1.055 0.000 0.204 248 Q C 1.606 177.675 176.000 0.115 0.000 0.975 248 Q CA 1.230 57.075 55.803 0.070 0.000 0.866 248 Q CB -0.125 28.640 28.738 0.044 0.000 0.915 248 Q HN 0.342 nan 8.270 nan 0.000 0.440 249 E N -0.478 119.795 120.200 0.121 0.000 2.265 249 E HA -0.141 4.842 4.350 1.055 0.000 0.196 249 E C 1.701 178.365 176.600 0.108 0.000 0.996 249 E CA 0.765 57.234 56.400 0.116 0.000 0.832 249 E CB -0.116 29.663 29.700 0.132 0.000 0.756 249 E HN 0.401 nan 8.360 nan 0.000 0.491 250 L N -0.385 120.915 121.223 0.127 0.000 2.191 250 L HA -0.150 4.823 4.340 1.055 0.000 0.212 250 L C 2.072 179.042 176.870 0.166 0.000 1.103 250 L CA 0.871 55.788 54.840 0.129 0.000 0.769 250 L CB -0.171 41.986 42.059 0.163 0.000 0.908 250 L HN 0.154 nan 8.230 nan 0.000 0.438 251 F N -1.188 118.761 119.950 -0.001 0.000 2.653 251 F HA 0.087 5.245 4.527 1.052 0.000 0.288 251 F C 2.124 177.916 175.800 -0.015 0.000 1.121 251 F CA 0.402 58.391 58.000 -0.018 0.000 1.384 251 F CB 0.402 39.380 39.000 -0.037 0.000 1.115 251 F HN -0.178 nan 8.300 nan 0.000 0.599 252 S N -1.033 114.695 115.700 0.047 0.000 2.523 252 S HA 0.113 5.216 4.470 1.055 0.000 0.217 252 S C 0.683 175.268 174.600 -0.024 0.000 0.996 252 S CA 0.035 58.217 58.200 -0.032 0.000 0.921 252 S CB -0.054 63.181 63.200 0.060 0.000 0.829 252 S HN 0.206 nan 8.310 nan 0.000 0.495 253 S N 2.559 118.262 115.700 0.004 0.000 2.572 253 S HA 0.160 5.263 4.470 1.055 0.000 0.279 253 S C -1.874 172.718 174.600 -0.013 0.000 1.341 253 S CA -1.144 57.067 58.200 0.019 0.000 1.043 253 S CB 0.726 63.951 63.200 0.042 0.000 0.887 253 S HN -0.013 nan 8.310 nan 0.000 0.516 254 P HA -0.023 nan 4.420 nan 0.000 0.225 254 P C 0.698 177.989 177.300 -0.016 0.000 1.148 254 P CA 0.762 63.854 63.100 -0.012 0.000 0.779 254 P CB 0.001 31.703 31.700 0.004 0.000 0.780 255 N N -0.541 118.156 118.700 -0.005 0.000 2.268 255 N HA 0.087 5.460 4.740 1.055 0.000 0.204 255 N C 0.653 176.154 175.510 -0.014 0.000 1.124 255 N CA -0.065 52.981 53.050 -0.006 0.000 0.838 255 N CB 0.152 38.645 38.487 0.009 0.000 0.994 255 N HN -0.064 nan 8.380 nan 0.000 0.489 256 A N -0.122 122.680 122.820 -0.031 0.000 2.359 256 A HA 0.123 5.076 4.320 1.055 0.000 0.240 256 A C 1.624 179.169 177.584 -0.065 0.000 1.306 256 A CA 0.008 52.020 52.037 -0.043 0.000 0.898 256 A CB -0.371 18.595 19.000 -0.057 0.000 0.956 256 A HN 0.191 nan 8.150 nan 0.000 0.497 257 T N 1.318 115.838 114.554 -0.057 0.000 2.759 257 T HA -0.168 4.815 4.350 1.055 0.000 0.269 257 T C 1.670 176.338 174.700 -0.054 0.000 1.042 257 T CA 1.882 63.946 62.100 -0.060 0.000 1.140 257 T CB -0.258 68.583 68.868 -0.045 0.000 0.864 257 T HN 0.875 nan 8.240 nan 0.000 0.455 258 D N 0.907 121.282 120.400 -0.041 0.000 2.271 258 D HA -0.051 5.222 4.640 1.055 0.000 0.206 258 D C 2.076 178.348 176.300 -0.047 0.000 0.967 258 D CA 1.324 55.301 54.000 -0.038 0.000 0.867 258 D CB -0.812 39.974 40.800 -0.024 0.000 0.960 258 D HN 0.531 nan 8.370 nan 0.000 0.509 259 T N -1.210 113.320 114.554 -0.040 0.000 3.035 259 T HA 0.138 5.121 4.350 1.055 0.000 0.259 259 T C 2.351 177.032 174.700 -0.032 0.000 1.078 259 T CA 0.014 62.094 62.100 -0.033 0.000 1.132 259 T CB -0.500 68.371 68.868 0.004 0.000 0.900 259 T HN 0.082 nan 8.240 nan 0.000 0.480 260 I N 2.726 123.272 120.570 -0.040 0.000 2.151 260 I HA -0.101 4.701 4.170 1.055 0.000 0.243 260 I C -0.205 175.902 176.117 -0.015 0.000 1.080 260 I CA 1.462 62.749 61.300 -0.022 0.000 1.339 260 I CB -1.044 36.858 38.000 -0.163 0.000 1.039 260 I HN 0.246 nan 8.210 nan 0.000 0.409 261 P HA -0.154 nan 4.420 nan 0.000 0.218 261 P C 1.912 179.098 177.300 -0.191 0.000 1.149 261 P CA 1.553 64.598 63.100 -0.092 0.000 0.817 261 P CB -0.008 31.643 31.700 -0.082 0.000 0.785 262 L N -0.858 120.202 121.223 -0.272 0.000 2.072 262 L HA -0.098 4.875 4.340 1.055 0.000 0.205 262 L C 2.780 179.170 176.870 -0.799 0.000 1.079 262 L CA 1.031 55.498 54.840 -0.621 0.000 0.752 262 L CB -1.066 40.677 42.059 -0.525 0.000 0.906 262 L HN -0.184 nan 8.230 nan 0.000 0.436 263 V N 0.041 119.763 119.914 -0.320 0.000 2.287 263 V HA -0.313 4.440 4.120 1.055 0.000 0.248 263 V C 2.643 178.657 176.094 -0.134 0.000 1.053 263 V CA 1.866 64.106 62.300 -0.101 0.000 1.027 263 V CB -0.616 31.323 31.823 0.193 0.000 0.646 263 V HN 0.410 nan 8.190 nan 0.000 0.447 264 R N -0.275 120.183 120.500 -0.071 0.000 2.081 264 R HA -0.147 4.826 4.340 1.055 0.000 0.235 264 R C 2.680 178.924 176.300 -0.094 0.000 1.131 264 R CA 1.598 57.672 56.100 -0.044 0.000 0.960 264 R CB -0.607 29.702 30.300 0.015 0.000 0.856 264 R HN 0.488 nan 8.270 nan 0.000 0.436 265 S N 0.135 115.730 115.700 -0.175 0.000 2.370 265 S HA -0.124 4.979 4.470 1.055 0.000 0.226 265 S C 1.610 176.236 174.600 0.044 0.000 1.033 265 S CA 1.154 59.291 58.200 -0.105 0.000 1.011 265 S CB -0.135 62.961 63.200 -0.173 0.000 0.852 265 S HN 0.209 nan 8.310 nan 0.000 0.457 266 F N 1.613 121.413 119.950 -0.250 0.000 2.325 266 F HA 0.335 5.493 4.527 1.052 0.000 0.299 266 F C 2.573 178.179 175.800 -0.323 0.000 1.090 266 F CA -0.038 57.720 58.000 -0.403 0.000 1.392 266 F CB -1.459 36.886 39.000 -1.092 0.000 1.053 266 F HN 0.293 nan 8.300 nan 0.000 0.521 267 A N 0.215 123.009 122.820 -0.043 0.000 1.970 267 A HA -0.136 4.817 4.320 1.055 0.000 0.216 267 A C 1.990 179.565 177.584 -0.016 0.000 1.170 267 A CA 1.406 53.442 52.037 -0.002 0.000 0.645 267 A CB -0.938 18.052 19.000 -0.017 0.000 0.816 267 A HN 0.433 nan 8.150 nan 0.000 0.447 268 N N -0.990 117.702 118.700 -0.013 0.000 2.354 268 N HA 0.005 5.378 4.740 1.055 0.000 0.179 268 N C 0.213 175.718 175.510 -0.009 0.000 1.021 268 N CA 0.757 53.799 53.050 -0.013 0.000 0.887 268 N CB 0.138 38.619 38.487 -0.010 0.000 0.974 268 N HN 0.305 nan 8.380 nan 0.000 0.437 269 S N -0.889 114.815 115.700 0.008 0.000 2.677 269 S HA 0.220 5.323 4.470 1.055 0.000 0.283 269 S C 0.572 175.152 174.600 -0.034 0.000 1.159 269 S CA -0.731 57.462 58.200 -0.011 0.000 1.001 269 S CB 1.487 64.692 63.200 0.008 0.000 1.032 269 S HN -0.035 nan 8.310 nan 0.000 0.487 270 T N 4.254 118.732 114.554 -0.128 0.000 2.746 270 T HA -0.133 4.850 4.350 1.055 0.000 0.267 270 T C 1.781 176.250 174.700 -0.385 0.000 1.039 270 T CA 1.651 63.559 62.100 -0.319 0.000 1.142 270 T CB -0.196 68.393 68.868 -0.465 0.000 0.866 270 T HN 0.721 nan 8.240 nan 0.000 0.444 271 Q N 0.344 120.016 119.800 -0.214 0.000 2.050 271 Q HA -0.103 4.870 4.340 1.055 0.000 0.202 271 Q C 2.639 178.615 176.000 -0.040 0.000 0.980 271 Q CA 1.657 57.396 55.803 -0.108 0.000 0.840 271 Q CB -0.467 28.241 28.738 -0.050 0.000 0.898 271 Q HN 0.448 nan 8.270 nan 0.000 0.424 272 T N 1.084 115.637 114.554 -0.001 0.000 2.746 272 T HA -0.161 4.822 4.350 1.055 0.000 0.267 272 T C 1.366 176.056 174.700 -0.017 0.000 1.039 272 T CA 1.243 63.380 62.100 0.061 0.000 1.142 272 T CB -0.349 68.614 68.868 0.158 0.000 0.866 272 T HN 0.259 nan 8.240 nan 0.000 0.444 273 F N 1.688 121.489 119.950 -0.248 0.000 2.084 273 F HA 0.017 5.176 4.527 1.053 0.000 0.296 273 F C 1.766 177.479 175.800 -0.145 0.000 1.111 273 F CA 0.622 58.295 58.000 -0.546 0.000 1.224 273 F CB -0.811 37.987 39.000 -0.337 0.000 0.991 273 F HN 0.043 nan 8.300 nan 0.000 0.471 274 F N 1.466 121.105 119.950 -0.518 0.000 2.126 274 F HA -0.232 4.928 4.527 1.054 0.000 0.299 274 F C 2.390 177.959 175.800 -0.386 0.000 1.096 274 F CA 1.402 59.090 58.000 -0.519 0.000 1.255 274 F CB -1.699 37.147 39.000 -0.256 0.000 0.997 274 F HN 0.088 nan 8.300 nan 0.000 0.479 275 N N 0.234 118.890 118.700 -0.074 0.000 2.120 275 N HA -0.134 5.238 4.740 1.055 0.000 0.188 275 N C 2.050 177.453 175.510 -0.179 0.000 1.024 275 N CA 1.521 54.499 53.050 -0.119 0.000 0.852 275 N CB -0.726 37.728 38.487 -0.055 0.000 1.003 275 N HN 0.241 nan 8.380 nan 0.000 0.424 276 A N 0.107 122.809 122.820 -0.197 0.000 1.930 276 A HA -0.076 4.877 4.320 1.055 0.000 0.217 276 A C 2.088 179.550 177.584 -0.202 0.000 1.175 276 A CA 0.712 52.645 52.037 -0.173 0.000 0.627 276 A CB -0.796 18.051 19.000 -0.254 0.000 0.815 276 A HN 0.269 nan 8.150 nan 0.000 0.443 277 F N 0.574 120.248 119.950 -0.460 0.000 2.146 277 F HA -0.123 5.034 4.527 1.051 0.000 0.298 277 F C 2.235 177.744 175.800 -0.485 0.000 1.096 277 F CA 1.810 59.553 58.000 -0.429 0.000 1.275 277 F CB -0.204 38.407 39.000 -0.648 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.249 119.783 119.914 -0.634 0.000 2.358 278 V HA -0.295 4.458 4.120 1.055 0.000 0.246 278 V C 2.357 178.063 176.094 -0.647 0.000 1.047 278 V CA 2.219 63.898 62.300 -1.036 0.000 1.035 278 V CB -0.726 30.450 31.823 -1.078 0.000 0.658 278 V HN 0.396 nan 8.190 nan 0.000 0.452 279 E N 0.243 120.205 120.200 -0.395 0.000 2.051 279 E HA -0.233 4.749 4.350 1.055 0.000 0.192 279 E C 2.224 178.712 176.600 -0.187 0.000 0.991 279 E CA 1.491 57.754 56.400 -0.228 0.000 0.799 279 E CB -0.249 29.372 29.700 -0.132 0.000 0.748 279 E HN 0.564 nan 8.360 nan 0.000 0.449 280 A N 0.668 123.364 122.820 -0.207 0.000 1.930 280 A HA -0.141 4.811 4.320 1.055 0.000 0.217 280 A C 2.166 179.638 177.584 -0.186 0.000 1.175 280 A CA 1.232 53.188 52.037 -0.136 0.000 0.627 280 A CB -0.343 18.609 19.000 -0.080 0.000 0.815 280 A HN 0.271 nan 8.150 nan 0.000 0.443 281 M N 0.067 119.438 119.600 -0.383 0.000 2.117 281 M HA -0.141 4.972 4.480 1.055 0.000 0.262 281 M C 1.306 177.591 176.300 -0.025 0.000 1.065 281 M CA 1.528 56.668 55.300 -0.267 0.000 1.114 281 M CB -1.299 31.057 32.600 -0.407 0.000 1.361 281 M HN 0.344 nan 8.290 nan 0.000 0.408 282 D N -0.512 119.860 120.400 -0.047 0.000 2.178 282 D HA -0.082 5.191 4.640 1.055 0.000 0.202 282 D C 2.167 178.480 176.300 0.022 0.000 0.974 282 D CA 0.886 54.916 54.000 0.049 0.000 0.841 282 D CB -0.178 40.640 40.800 0.030 0.000 0.953 282 D HN 0.336 nan 8.370 nan 0.000 0.478 283 R N -0.013 120.478 120.500 -0.015 0.000 2.075 283 R HA 0.005 4.978 4.340 1.055 0.000 0.232 283 R C 2.342 178.642 176.300 -0.000 0.000 1.126 283 R CA 0.848 56.944 56.100 -0.007 0.000 0.963 283 R CB -0.238 30.059 30.300 -0.005 0.000 0.858 283 R HN 0.183 nan 8.270 nan 0.000 0.435 284 M N -0.065 119.542 119.600 0.012 0.000 2.159 284 M HA -0.060 5.052 4.480 1.055 0.000 0.263 284 M C 1.808 178.115 176.300 0.011 0.000 1.063 284 M CA 2.035 57.346 55.300 0.018 0.000 1.110 284 M CB -0.128 32.511 32.600 0.064 0.000 1.374 284 M HN 0.242 nan 8.290 nan 0.000 0.411 285 G N -0.250 108.595 108.800 0.075 0.000 2.679 285 G HA2 -0.203 4.390 3.960 1.055 0.000 0.212 285 G HA3 -0.203 4.390 3.960 1.055 0.000 0.212 285 G C 0.911 175.845 174.900 0.057 0.000 1.137 285 G CA 0.634 45.811 45.100 0.127 0.000 0.787 285 G HN 0.513 nan 8.290 nan 0.000 0.534 286 N N -0.162 118.548 118.700 0.017 0.000 2.230 286 N HA 0.174 5.547 4.740 1.055 0.000 0.202 286 N C 0.312 175.800 175.510 -0.036 0.000 1.119 286 N CA -0.362 52.682 53.050 -0.008 0.000 0.851 286 N CB -0.017 38.465 38.487 -0.008 0.000 0.990 286 N HN 0.150 nan 8.380 nan 0.000 0.497 287 I N 1.806 122.344 120.570 -0.053 0.000 2.505 287 I HA -0.032 4.771 4.170 1.055 0.000 0.287 287 I C 0.405 176.470 176.117 -0.087 0.000 1.104 287 I CA -0.156 61.089 61.300 -0.091 0.000 1.387 287 I CB 0.143 38.058 38.000 -0.141 0.000 1.404 287 I HN 0.266 nan 8.210 nan 0.000 0.528 288 T N 4.558 119.059 114.554 -0.088 0.000 3.213 288 T HA -0.126 4.857 4.350 1.055 0.000 0.427 288 T C -1.962 172.696 174.700 -0.070 0.000 0.772 288 T CA -0.703 61.346 62.100 -0.084 0.000 2.150 288 T CB -1.818 66.984 68.868 -0.110 0.000 1.655 288 T HN 0.479 nan 8.240 nan 0.000 0.584 289 P HA 0.507 nan 4.420 nan 0.000 0.281 289 P C 0.201 177.475 177.300 -0.043 0.000 1.249 289 P CA -0.928 62.145 63.100 -0.046 0.000 0.810 289 P CB 1.024 32.694 31.700 -0.050 0.000 1.008 290 L N 2.107 123.310 121.223 -0.034 0.000 2.292 290 L HA 0.432 5.405 4.340 1.055 0.000 0.284 290 L C 1.168 178.014 176.870 -0.039 0.000 1.065 290 L CA -0.017 54.808 54.840 -0.024 0.000 0.806 290 L CB 1.209 43.265 42.059 -0.004 0.000 1.175 290 L HN 0.562 nan 8.230 nan 0.000 0.431 291 T N -0.997 113.536 114.554 -0.035 0.000 2.804 291 T HA 0.775 5.758 4.350 1.055 0.000 0.290 291 T C 0.516 175.211 174.700 -0.009 0.000 1.099 291 T CA -0.050 62.022 62.100 -0.048 0.000 1.011 291 T CB 1.844 70.675 68.868 -0.061 0.000 1.291 291 T HN 0.853 nan 8.240 nan 0.000 0.523 292 G N 1.314 110.121 108.800 0.012 0.000 2.620 292 G HA2 -0.358 4.235 3.960 1.055 0.000 0.315 292 G HA3 -0.358 4.235 3.960 1.055 0.000 0.315 292 G C 0.989 175.921 174.900 0.053 0.000 1.179 292 G CA 1.876 47.004 45.100 0.047 0.000 0.971 292 G HN 2.080 nan 8.290 nan 0.000 0.544 293 T N -0.876 113.701 114.554 0.038 0.000 3.054 293 T HA 0.481 5.464 4.350 1.055 0.000 0.255 293 T C 0.815 175.533 174.700 0.030 0.000 1.035 293 T CA 0.984 63.106 62.100 0.038 0.000 0.941 293 T CB 0.295 69.182 68.868 0.032 0.000 1.026 293 T HN 0.740 nan 8.240 nan 0.000 0.533 294 Q N 1.455 121.268 119.800 0.023 0.000 2.327 294 Q HA 0.503 5.476 4.340 1.055 0.000 0.254 294 Q C 1.116 177.129 176.000 0.023 0.000 0.952 294 Q CA 0.323 56.137 55.803 0.018 0.000 0.884 294 Q CB 0.742 29.486 28.738 0.009 0.000 1.224 294 Q HN 0.577 nan 8.270 nan 0.000 0.422 295 G N 1.606 110.421 108.800 0.025 0.000 2.641 295 G HA2 -0.288 4.305 3.960 1.055 0.000 0.254 295 G HA3 -0.288 4.305 3.960 1.055 0.000 0.254 295 G C -0.652 174.269 174.900 0.035 0.000 1.315 295 G CA 0.099 45.216 45.100 0.029 0.000 0.907 295 G HN 0.700 nan 8.290 nan 0.000 0.572 296 Q N -1.808 118.016 119.800 0.039 0.000 2.857 296 Q HA 0.752 5.724 4.340 1.055 0.000 0.319 296 Q C -0.580 175.453 176.000 0.056 0.000 0.963 296 Q CA -1.142 54.688 55.803 0.046 0.000 0.770 296 Q CB 1.829 30.592 28.738 0.041 0.000 1.492 296 Q HN 0.601 nan 8.270 nan 0.000 0.493 297 I N 1.551 122.158 120.570 0.061 0.000 2.377 297 I HA 0.303 5.106 4.170 1.055 0.000 0.282 297 I C -0.135 176.013 176.117 0.051 0.000 1.091 297 I CA -0.481 60.861 61.300 0.070 0.000 1.207 297 I CB 0.573 38.626 38.000 0.088 0.000 1.429 297 I HN 0.416 nan 8.210 nan 0.000 0.491 298 R N 3.184 123.711 120.500 0.046 0.000 2.537 298 R HA 0.002 4.975 4.340 1.055 0.000 0.281 298 R C 0.632 176.951 176.300 0.031 0.000 0.988 298 R CA -0.036 56.087 56.100 0.039 0.000 1.077 298 R CB 0.699 31.024 30.300 0.041 0.000 0.932 298 R HN 0.526 nan 8.270 nan 0.000 0.409 299 L N 2.647 123.886 121.223 0.026 0.000 2.202 299 L HA 0.057 5.030 4.340 1.055 0.000 0.205 299 L C 0.680 177.560 176.870 0.017 0.000 1.083 299 L CA 1.240 56.091 54.840 0.018 0.000 0.790 299 L CB -0.467 41.602 42.059 0.016 0.000 0.942 299 L HN 0.549 nan 8.230 nan 0.000 0.452 300 N N -1.340 117.372 118.700 0.021 0.000 2.483 300 N HA 0.085 5.457 4.740 1.055 0.000 0.267 300 N C 0.571 176.099 175.510 0.030 0.000 0.998 300 N CA -0.313 52.750 53.050 0.021 0.000 0.918 300 N CB 1.322 39.819 38.487 0.016 0.000 1.215 300 N HN -0.012 nan 8.380 nan 0.000 0.500 301 c N 2.488 121.110 118.600 0.037 0.000 2.409 301 c HA -0.007 5.196 4.570 1.055 0.000 0.288 301 c C 2.103 176.222 174.090 0.048 0.000 1.395 301 c CA 0.485 56.844 56.329 0.049 0.000 1.792 301 c CB -0.923 41.626 42.510 0.065 0.000 1.847 301 c HN 0.687 nan 8.230 nan 0.000 0.534 302 R N 0.301 120.821 120.500 0.033 0.000 2.240 302 R HA 0.111 5.084 4.340 1.055 0.000 0.203 302 R C 0.475 176.791 176.300 0.027 0.000 1.011 302 R CA 0.623 56.733 56.100 0.016 0.000 1.007 302 R CB 0.089 30.386 30.300 -0.005 0.000 0.911 302 R HN 0.560 nan 8.270 nan 0.000 0.468 303 V N -3.321 116.614 119.914 0.034 0.000 3.007 303 V HA 0.454 5.206 4.120 1.055 0.000 0.311 303 V C 0.006 176.132 176.094 0.054 0.000 1.120 303 V CA -1.308 61.018 62.300 0.044 0.000 0.980 303 V CB 2.130 33.961 31.823 0.014 0.000 1.033 303 V HN -0.299 nan 8.190 nan 0.000 0.429 304 V N 3.017 122.976 119.914 0.076 0.000 2.811 304 V HA 0.225 4.977 4.120 1.055 0.000 0.302 304 V C 0.673 176.792 176.094 0.043 0.000 1.063 304 V CA -0.247 62.093 62.300 0.067 0.000 1.088 304 V CB 0.575 32.454 31.823 0.094 0.000 0.982 304 V HN 0.994 nan 8.190 nan 0.000 0.485 305 N N 2.455 121.177 118.700 0.036 0.000 2.441 305 N HA 0.238 5.611 4.740 1.055 0.000 0.251 305 N C 0.049 175.573 175.510 0.024 0.000 1.242 305 N CA 0.079 53.145 53.050 0.027 0.000 0.898 305 N CB 0.990 39.493 38.487 0.027 0.000 1.100 305 N HN 0.950 nan 8.380 nan 0.000 0.443 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.103 4.470 1.055 0.000 0.327 306 S CA 0.000 58.207 58.200 0.012 0.000 1.107 306 S CB 0.000 63.204 63.200 0.006 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517