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 6atj_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 0.000 175.992 176.000 -0.014 0.000 1.003 1 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 1 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 2 L N 1.058 122.262 121.223 -0.033 0.000 2.452 2 L HA 0.603 5.505 4.340 0.937 0.000 0.267 2 L C 0.693 177.555 176.870 -0.013 0.000 1.188 2 L CA 0.159 54.963 54.840 -0.060 0.000 0.821 2 L CB 0.925 42.945 42.059 -0.064 0.000 1.102 2 L HN 0.638 nan 8.230 nan 0.000 0.470 3 T N 1.371 115.925 114.554 -0.001 0.000 2.956 3 T HA 0.378 5.290 4.350 0.937 0.000 0.312 3 T C -2.304 172.421 174.700 0.042 0.000 1.151 3 T CA -1.448 60.674 62.100 0.037 0.000 1.024 3 T CB 2.053 70.962 68.868 0.067 0.000 1.140 3 T HN 0.220 nan 8.240 nan 0.000 0.473 4 P HA 0.006 nan 4.420 nan 0.000 0.222 4 P C 1.218 178.546 177.300 0.046 0.000 1.147 4 P CA 1.009 64.131 63.100 0.038 0.000 0.790 4 P CB 0.051 31.775 31.700 0.040 0.000 0.780 5 T N -5.513 109.066 114.554 0.041 0.000 3.144 5 T HA 0.062 4.974 4.350 0.937 0.000 0.249 5 T C 1.391 176.089 174.700 -0.002 0.000 1.089 5 T CA -0.314 61.800 62.100 0.024 0.000 0.989 5 T CB -1.315 67.555 68.868 0.004 0.000 0.992 5 T HN -0.108 nan 8.240 nan 0.000 0.540 6 F N 2.082 121.926 119.950 -0.177 0.000 2.141 6 F HA -0.182 4.908 4.527 0.938 0.000 0.300 6 F C 1.012 176.575 175.800 -0.396 0.000 1.079 6 F CA 1.423 59.216 58.000 -0.346 0.000 1.264 6 F CB -0.208 38.454 39.000 -0.564 0.000 1.011 6 F HN 0.268 nan 8.300 nan 0.000 0.487 7 Y N -0.715 119.635 120.300 0.084 0.000 2.555 7 Y HA 0.145 5.257 4.550 0.936 0.000 0.259 7 Y C 1.541 177.422 175.900 -0.031 0.000 1.179 7 Y CA -0.581 57.521 58.100 0.004 0.000 1.230 7 Y CB -0.730 37.779 38.460 0.081 0.000 1.146 7 Y HN -0.037 nan 8.280 nan 0.000 0.526 8 D N 0.053 120.488 120.400 0.058 0.000 2.221 8 D HA -0.155 5.048 4.640 0.937 0.000 0.204 8 D C 1.411 177.717 176.300 0.010 0.000 0.982 8 D CA 1.236 55.255 54.000 0.032 0.000 0.857 8 D CB 0.152 40.955 40.800 0.006 0.000 0.934 8 D HN 0.314 nan 8.370 nan 0.000 0.475 9 N N -0.768 117.922 118.700 -0.016 0.000 2.499 9 N HA -0.036 5.266 4.740 0.937 0.000 0.182 9 N C 1.772 177.278 175.510 -0.006 0.000 1.034 9 N CA 0.852 53.887 53.050 -0.024 0.000 0.882 9 N CB -0.000 38.453 38.487 -0.055 0.000 1.125 9 N HN 0.113 nan 8.380 nan 0.000 0.436 10 S N -1.267 114.438 115.700 0.008 0.000 2.414 10 S HA 0.048 5.080 4.470 0.937 0.000 0.227 10 S C 1.214 175.846 174.600 0.053 0.000 1.022 10 S CA 0.109 58.331 58.200 0.037 0.000 0.958 10 S CB -0.076 63.165 63.200 0.067 0.000 0.797 10 S HN 0.278 nan 8.310 nan 0.000 0.493 11 c N 2.954 121.602 118.600 0.079 0.000 3.253 11 c HA 0.454 5.586 4.570 0.937 0.000 0.230 11 c C -1.926 172.183 174.090 0.031 0.000 1.124 11 c CA -1.324 55.015 56.329 0.017 0.000 1.143 11 c CB 0.799 43.261 42.510 -0.080 0.000 1.794 11 c HN 0.343 nan 8.230 nan 0.000 0.617 12 P HA -0.108 nan 4.420 nan 0.000 0.220 12 P C 0.719 178.022 177.300 0.006 0.000 1.144 12 P CA 1.568 64.682 63.100 0.024 0.000 0.800 12 P CB 0.130 31.837 31.700 0.011 0.000 0.772 13 N N -0.603 118.090 118.700 -0.012 0.000 2.270 13 N HA -0.004 5.298 4.740 0.937 0.000 0.198 13 N C 1.617 177.102 175.510 -0.042 0.000 1.117 13 N CA -0.050 52.986 53.050 -0.024 0.000 0.845 13 N CB -0.176 38.297 38.487 -0.025 0.000 0.980 13 N HN 0.016 nan 8.380 nan 0.000 0.486 14 V N 0.527 120.408 119.914 -0.055 0.000 2.282 14 V HA -0.265 4.417 4.120 0.937 0.000 0.249 14 V C 2.357 178.406 176.094 -0.075 0.000 1.057 14 V CA 2.238 64.483 62.300 -0.093 0.000 1.032 14 V CB -0.484 31.237 31.823 -0.171 0.000 0.645 14 V HN 0.294 nan 8.190 nan 0.000 0.447 15 S N -0.097 115.570 115.700 -0.056 0.000 2.370 15 S HA -0.210 4.822 4.470 0.937 0.000 0.226 15 S C 1.860 176.421 174.600 -0.067 0.000 1.033 15 S CA 1.953 60.112 58.200 -0.068 0.000 1.011 15 S CB -0.586 62.575 63.200 -0.064 0.000 0.852 15 S HN 0.777 nan 8.310 nan 0.000 0.457 16 N N 1.098 119.767 118.700 -0.051 0.000 2.216 16 N HA 0.068 5.370 4.740 0.937 0.000 0.183 16 N C 1.749 177.233 175.510 -0.044 0.000 1.017 16 N CA 1.143 54.166 53.050 -0.045 0.000 0.861 16 N CB -0.398 38.069 38.487 -0.033 0.000 0.986 16 N HN 0.465 nan 8.380 nan 0.000 0.428 17 I N 0.446 120.988 120.570 -0.047 0.000 2.226 17 I HA -0.209 4.523 4.170 0.937 0.000 0.245 17 I C 2.085 178.173 176.117 -0.048 0.000 1.100 17 I CA 0.710 61.983 61.300 -0.044 0.000 1.374 17 I CB -0.188 37.782 38.000 -0.049 0.000 1.057 17 I HN -0.103 nan 8.210 nan 0.000 0.413 18 V N 0.848 120.726 119.914 -0.059 0.000 2.295 18 V HA -0.297 4.385 4.120 0.937 0.000 0.246 18 V C 2.642 178.701 176.094 -0.058 0.000 1.049 18 V CA 2.050 64.312 62.300 -0.063 0.000 1.024 18 V CB -0.769 31.005 31.823 -0.082 0.000 0.648 18 V HN 0.420 nan 8.190 nan 0.000 0.447 19 R N 0.115 120.579 120.500 -0.061 0.000 2.083 19 R HA -0.203 4.699 4.340 0.937 0.000 0.237 19 R C 2.061 178.338 176.300 -0.038 0.000 1.137 19 R CA 2.228 58.295 56.100 -0.054 0.000 0.951 19 R CB -0.418 29.849 30.300 -0.055 0.000 0.851 19 R HN 0.484 nan 8.270 nan 0.000 0.434 20 D N -0.449 119.931 120.400 -0.034 0.000 2.149 20 D HA -0.123 5.079 4.640 0.937 0.000 0.198 20 D C 1.755 178.042 176.300 -0.022 0.000 0.990 20 D CA 1.747 55.733 54.000 -0.025 0.000 0.839 20 D CB -0.368 40.418 40.800 -0.023 0.000 0.948 20 D HN 0.305 nan 8.370 nan 0.000 0.460 21 T N 0.774 115.312 114.554 -0.027 0.000 2.708 21 T HA -0.058 4.854 4.350 0.937 0.000 0.266 21 T C 2.209 176.896 174.700 -0.022 0.000 1.037 21 T CA 0.612 62.698 62.100 -0.023 0.000 1.146 21 T CB -0.147 68.705 68.868 -0.027 0.000 0.865 21 T HN 0.177 nan 8.240 nan 0.000 0.435 22 I N 0.794 121.348 120.570 -0.027 0.000 2.252 22 I HA -0.125 4.607 4.170 0.937 0.000 0.245 22 I C 2.471 178.581 176.117 -0.013 0.000 1.102 22 I CA 0.732 62.019 61.300 -0.023 0.000 1.385 22 I CB -0.509 37.474 38.000 -0.028 0.000 1.064 22 I HN 0.077 nan 8.210 nan 0.000 0.414 23 V N 1.532 121.439 119.914 -0.012 0.000 2.287 23 V HA -0.299 4.383 4.120 0.937 0.000 0.248 23 V C 2.210 178.302 176.094 -0.003 0.000 1.053 23 V CA 2.050 64.347 62.300 -0.005 0.000 1.027 23 V CB -0.843 30.976 31.823 -0.007 0.000 0.646 23 V HN 0.476 nan 8.190 nan 0.000 0.447 24 N N -0.024 118.672 118.700 -0.006 0.000 2.120 24 N HA -0.183 5.119 4.740 0.937 0.000 0.188 24 N C 1.930 177.438 175.510 -0.004 0.000 1.024 24 N CA 1.524 54.571 53.050 -0.004 0.000 0.852 24 N CB -0.304 38.179 38.487 -0.006 0.000 1.003 24 N HN 0.556 nan 8.380 nan 0.000 0.424 25 E N 1.250 121.446 120.200 -0.007 0.000 2.106 25 E HA 0.010 4.922 4.350 0.937 0.000 0.192 25 E C 2.000 178.597 176.600 -0.005 0.000 0.984 25 E CA 0.555 56.950 56.400 -0.008 0.000 0.806 25 E CB -0.337 29.355 29.700 -0.014 0.000 0.750 25 E HN 0.284 nan 8.360 nan 0.000 0.458 26 L N 0.102 121.323 121.223 -0.002 0.000 2.187 26 L HA -0.149 4.753 4.340 0.937 0.000 0.213 26 L C 2.508 179.383 176.870 0.008 0.000 1.100 26 L CA 1.064 55.906 54.840 0.005 0.000 0.765 26 L CB -0.256 41.812 42.059 0.014 0.000 0.904 26 L HN 0.112 nan 8.230 nan 0.000 0.437 27 R N -0.530 119.974 120.500 0.007 0.000 2.096 27 R HA -0.119 4.783 4.340 0.937 0.000 0.235 27 R C 2.357 178.662 176.300 0.007 0.000 1.127 27 R CA 1.738 57.843 56.100 0.008 0.000 0.968 27 R CB -0.195 30.109 30.300 0.007 0.000 0.861 27 R HN 0.470 nan 8.270 nan 0.000 0.440 28 S N -0.994 114.708 115.700 0.004 0.000 2.497 28 S HA 0.013 5.045 4.470 0.937 0.000 0.218 28 S C 0.222 174.824 174.600 0.002 0.000 1.023 28 S CA -0.213 57.989 58.200 0.004 0.000 0.913 28 S CB 0.541 63.743 63.200 0.003 0.000 0.800 28 S HN 0.065 nan 8.310 nan 0.000 0.505 29 D N 2.068 122.467 120.400 -0.001 0.000 2.346 29 D HA 0.349 5.551 4.640 0.937 0.000 0.255 29 D C -2.249 174.047 176.300 -0.007 0.000 1.276 29 D CA -2.165 51.832 54.000 -0.006 0.000 0.941 29 D CB 1.824 42.616 40.800 -0.013 0.000 1.199 29 D HN -0.036 nan 8.370 nan 0.000 0.537 30 P HA -0.089 nan 4.420 nan 0.000 0.231 30 P C 1.089 178.383 177.300 -0.009 0.000 1.158 30 P CA 0.349 63.455 63.100 0.009 0.000 0.763 30 P CB 0.402 32.115 31.700 0.022 0.000 0.805 31 R N -0.423 120.057 120.500 -0.033 0.000 2.280 31 R HA 0.074 4.976 4.340 0.937 0.000 0.195 31 R C 2.056 178.283 176.300 -0.120 0.000 0.935 31 R CA -0.092 55.962 56.100 -0.078 0.000 1.033 31 R CB -0.516 29.751 30.300 -0.056 0.000 0.964 31 R HN -0.038 nan 8.270 nan 0.000 0.489 32 I N 1.418 121.939 120.570 -0.082 0.000 2.315 32 I HA -0.227 4.505 4.170 0.937 0.000 0.251 32 I C 1.964 178.020 176.117 -0.102 0.000 1.125 32 I CA 1.529 62.776 61.300 -0.088 0.000 1.392 32 I CB -0.216 37.751 38.000 -0.055 0.000 1.065 32 I HN 0.247 nan 8.210 nan 0.000 0.424 33 A N 0.275 123.043 122.820 -0.086 0.000 1.877 33 A HA -0.075 4.807 4.320 0.937 0.000 0.216 33 A C 2.515 179.999 177.584 -0.167 0.000 1.186 33 A CA 1.787 53.802 52.037 -0.037 0.000 0.620 33 A CB -1.302 17.762 19.000 0.106 0.000 0.822 33 A HN 0.515 nan 8.150 nan 0.000 0.443 34 A N -0.527 121.961 122.820 -0.554 0.000 1.902 34 A HA -0.071 4.811 4.320 0.937 0.000 0.217 34 A C 2.435 179.809 177.584 -0.350 0.000 1.181 34 A CA 2.083 53.553 52.037 -0.946 0.000 0.623 34 A CB -0.866 17.462 19.000 -1.121 0.000 0.818 34 A HN 0.453 nan 8.150 nan 0.000 0.443 35 S N -0.203 115.351 115.700 -0.243 0.000 2.368 35 S HA -0.094 4.938 4.470 0.937 0.000 0.225 35 S C 1.783 176.295 174.600 -0.146 0.000 1.030 35 S CA 1.450 59.547 58.200 -0.173 0.000 0.999 35 S CB -0.446 62.656 63.200 -0.163 0.000 0.844 35 S HN 0.549 nan 8.310 nan 0.000 0.459 36 I N 0.921 121.425 120.570 -0.110 0.000 2.315 36 I HA -0.138 4.594 4.170 0.937 0.000 0.248 36 I C 2.276 178.404 176.117 0.019 0.000 1.117 36 I CA 0.671 61.932 61.300 -0.064 0.000 1.404 36 I CB -0.274 37.695 38.000 -0.051 0.000 1.071 36 I HN 0.246 nan 8.210 nan 0.000 0.419 37 L N 1.102 122.367 121.223 0.070 0.000 2.046 37 L HA -0.198 4.704 4.340 0.937 0.000 0.208 37 L C 2.596 179.580 176.870 0.190 0.000 1.077 37 L CA 1.808 56.763 54.840 0.191 0.000 0.747 37 L CB -0.692 41.564 42.059 0.329 0.000 0.896 37 L HN 0.081 nan 8.230 nan 0.000 0.432 38 R N -0.726 119.822 120.500 0.080 0.000 2.096 38 R HA -0.126 4.776 4.340 0.937 0.000 0.235 38 R C 2.300 178.571 176.300 -0.049 0.000 1.127 38 R CA 1.625 57.743 56.100 0.029 0.000 0.968 38 R CB -0.309 29.929 30.300 -0.104 0.000 0.861 38 R HN 0.460 nan 8.270 nan 0.000 0.440 39 L N -0.568 120.626 121.223 -0.048 0.000 2.042 39 L HA -0.232 4.670 4.340 0.937 0.000 0.210 39 L C 2.554 179.496 176.870 0.120 0.000 1.076 39 L CA 1.702 56.533 54.840 -0.015 0.000 0.749 39 L CB -0.637 41.381 42.059 -0.068 0.000 0.893 39 L HN 0.366 nan 8.230 nan 0.000 0.432 40 H N -0.236 118.875 119.070 0.068 0.000 2.353 40 H HA -0.258 4.861 4.556 0.938 0.000 0.300 40 H C 1.931 177.364 175.328 0.175 0.000 1.090 40 H CA 1.796 57.909 56.048 0.108 0.000 1.327 40 H CB -0.223 29.601 29.762 0.103 0.000 1.383 40 H HN 0.278 nan 8.280 nan 0.000 0.508 41 F N 0.712 120.647 119.950 -0.026 0.000 2.095 41 F HA -0.188 4.895 4.527 0.927 0.000 0.298 41 F C 2.115 177.931 175.800 0.026 0.000 1.104 41 F CA 2.177 60.125 58.000 -0.087 0.000 1.232 41 F CB -1.019 37.925 39.000 -0.093 0.000 0.987 41 F HN 0.361 nan 8.300 nan 0.000 0.475 42 H N -1.463 117.332 119.070 -0.457 0.000 2.495 42 H HA -0.113 5.002 4.556 0.932 0.000 0.287 42 H C 1.637 176.848 175.328 -0.194 0.000 1.033 42 H CA 0.732 56.488 56.048 -0.486 0.000 1.307 42 H CB 0.022 29.620 29.762 -0.275 0.000 1.401 42 H HN 0.341 nan 8.280 nan 0.000 0.555 43 D N 0.387 120.805 120.400 0.029 0.000 2.085 43 D HA -0.114 5.088 4.640 0.937 0.000 0.199 43 D C 2.180 178.474 176.300 -0.010 0.000 0.981 43 D CA 0.888 54.912 54.000 0.040 0.000 0.834 43 D CB -0.477 40.374 40.800 0.084 0.000 0.992 43 D HN 0.220 nan 8.370 nan 0.000 0.457 44 c N -0.115 118.453 118.600 -0.053 0.000 2.422 44 c HA -0.057 5.075 4.570 0.937 0.000 0.279 44 c C 2.259 176.360 174.090 0.019 0.000 1.305 44 c CA 0.105 56.411 56.329 -0.039 0.000 1.757 44 c CB -1.555 40.905 42.510 -0.084 0.000 1.962 44 c HN 0.271 nan 8.230 nan 0.000 0.499 45 F N 0.448 120.259 119.950 -0.231 0.000 2.811 45 F HA 0.182 5.272 4.527 0.939 0.000 0.301 45 F C 0.642 176.311 175.800 -0.219 0.000 1.151 45 F CA 0.562 58.416 58.000 -0.244 0.000 1.412 45 F CB 0.017 38.804 39.000 -0.354 0.000 1.113 45 F HN -0.049 nan 8.300 nan 0.000 0.579 46 V N 0.185 120.056 119.914 -0.071 0.000 2.445 46 V HA 0.223 4.905 4.120 0.937 0.000 0.283 46 V C 0.180 176.146 176.094 -0.213 0.000 1.014 46 V CA -1.116 61.109 62.300 -0.125 0.000 0.852 46 V CB 1.041 32.834 31.823 -0.049 0.000 1.021 46 V HN 0.254 nan 8.190 nan 0.000 0.435 47 N N 3.481 121.971 118.700 -0.351 0.000 2.741 47 N HA -0.159 5.143 4.740 0.937 0.000 0.251 47 N C 0.418 175.784 175.510 -0.241 0.000 1.112 47 N CA 2.043 54.826 53.050 -0.446 0.000 0.750 47 N CB -0.727 37.223 38.487 -0.895 0.000 1.119 47 N HN 1.894 nan 8.380 nan 0.000 0.561 48 G N -1.910 106.782 108.800 -0.179 0.000 2.796 48 G HA2 -0.250 4.272 3.960 0.937 0.000 0.571 48 G HA3 -0.250 4.272 3.960 0.937 0.000 0.571 48 G C 0.032 174.894 174.900 -0.064 0.000 1.370 48 G CA -0.372 44.656 45.100 -0.120 0.000 0.856 48 G HN 0.865 nan 8.290 nan 0.000 0.538 49 c N 1.274 119.852 118.600 -0.037 0.000 2.365 49 c HA 0.485 5.617 4.570 0.937 0.000 0.412 49 c C 0.934 175.044 174.090 0.033 0.000 1.023 49 c CA 0.166 56.502 56.329 0.011 0.000 1.287 49 c CB -1.298 41.243 42.510 0.052 0.000 1.675 49 c HN 0.781 nan 8.230 nan 0.000 0.520 50 D N 0.490 120.913 120.400 0.039 0.000 2.540 50 D HA 0.255 5.458 4.640 0.937 0.000 0.229 50 D C 1.128 177.469 176.300 0.067 0.000 1.250 50 D CA 0.279 54.307 54.000 0.048 0.000 0.817 50 D CB -0.205 40.624 40.800 0.048 0.000 1.060 50 D HN 0.565 nan 8.370 nan 0.000 0.508 51 A N 0.707 123.577 122.820 0.083 0.000 2.861 51 A HA -0.299 4.583 4.320 0.937 0.000 0.261 51 A C 1.908 179.541 177.584 0.081 0.000 1.351 51 A CA 1.495 53.587 52.037 0.091 0.000 0.904 51 A CB -2.605 16.441 19.000 0.078 0.000 1.076 51 A HN 0.783 nan 8.150 nan 0.000 0.729 52 S N -0.524 115.230 115.700 0.090 0.000 2.399 52 S HA -0.117 4.915 4.470 0.937 0.000 0.231 52 S C 1.737 176.372 174.600 0.059 0.000 1.022 52 S CA 1.299 59.544 58.200 0.075 0.000 0.983 52 S CB -0.555 62.773 63.200 0.214 0.000 0.803 52 S HN 1.306 nan 8.310 nan 0.000 0.480 53 I N 0.913 121.541 120.570 0.097 0.000 2.567 53 I HA -0.047 4.685 4.170 0.937 0.000 0.257 53 I C 1.708 177.877 176.117 0.087 0.000 1.184 53 I CA 1.078 62.444 61.300 0.110 0.000 1.451 53 I CB -0.068 38.038 38.000 0.177 0.000 1.089 53 I HN 0.318 nan 8.210 nan 0.000 0.441 54 L N 0.537 121.818 121.223 0.096 0.000 2.478 54 L HA 0.043 4.945 4.340 0.937 0.000 0.223 54 L C 0.803 177.658 176.870 -0.025 0.000 1.140 54 L CA -0.012 54.865 54.840 0.061 0.000 0.842 54 L CB -0.403 41.730 42.059 0.122 0.000 0.953 54 L HN 0.134 nan 8.230 nan 0.000 0.452 55 L N 0.582 121.805 121.223 0.001 0.000 2.416 55 L HA 0.073 4.975 4.340 0.937 0.000 0.272 55 L C 0.118 176.994 176.870 0.010 0.000 1.161 55 L CA -0.014 54.849 54.840 0.038 0.000 0.845 55 L CB 0.388 42.511 42.059 0.106 0.000 1.119 55 L HN 0.051 nan 8.230 nan 0.000 0.464 56 D N 1.327 121.726 120.400 -0.002 0.000 2.432 56 D HA 0.156 5.358 4.640 0.937 0.000 0.258 56 D C 0.072 176.349 176.300 -0.039 0.000 1.146 56 D CA -0.470 53.497 54.000 -0.054 0.000 1.015 56 D CB 0.592 41.343 40.800 -0.081 0.000 1.107 56 D HN 0.352 nan 8.370 nan 0.000 0.529 57 N N -0.176 118.469 118.700 -0.092 0.000 2.441 57 N HA 0.081 5.383 4.740 0.937 0.000 0.251 57 N C -0.138 175.197 175.510 -0.293 0.000 1.242 57 N CA 0.511 53.465 53.050 -0.161 0.000 0.898 57 N CB 0.457 38.871 38.487 -0.123 0.000 1.100 57 N HN 0.417 nan 8.380 nan 0.000 0.443 58 T N -3.323 110.938 114.554 -0.489 0.000 2.841 58 T HA 0.293 5.205 4.350 0.937 0.000 0.296 58 T C 1.102 175.569 174.700 -0.388 0.000 1.166 58 T CA -0.499 61.297 62.100 -0.507 0.000 1.007 58 T CB 0.843 69.216 68.868 -0.825 0.000 1.253 58 T HN 0.419 nan 8.240 nan 0.000 0.511 59 T N -1.158 113.234 114.554 -0.269 0.000 3.072 59 T HA 0.005 4.917 4.350 0.937 0.000 0.266 59 T C 1.777 176.379 174.700 -0.163 0.000 1.127 59 T CA 1.164 63.158 62.100 -0.175 0.000 1.107 59 T CB -0.639 68.159 68.868 -0.117 0.000 0.910 59 T HN 0.807 nan 8.240 nan 0.000 0.513 60 S N 0.494 116.055 115.700 -0.232 0.000 2.502 60 S HA 0.387 5.419 4.470 0.937 0.000 0.215 60 S C 0.159 174.751 174.600 -0.013 0.000 1.009 60 S CA -0.904 57.230 58.200 -0.109 0.000 0.908 60 S CB -0.450 62.719 63.200 -0.052 0.000 0.801 60 S HN 0.709 nan 8.310 nan 0.000 0.505 61 F N -0.049 119.854 119.950 -0.079 0.000 2.641 61 F HA 0.801 5.888 4.527 0.935 0.000 0.308 61 F C -0.812 174.931 175.800 -0.095 0.000 1.105 61 F CA -1.585 56.356 58.000 -0.099 0.000 0.964 61 F CB 0.857 39.766 39.000 -0.152 0.000 1.294 61 F HN -0.322 nan 8.300 nan 0.000 0.442 62 R N 1.217 121.836 120.500 0.198 0.000 2.500 62 R HA 0.386 5.288 4.340 0.937 0.000 0.275 62 R C -0.019 176.387 176.300 0.176 0.000 1.051 62 R CA -0.628 55.532 56.100 0.099 0.000 1.088 62 R CB 1.352 31.671 30.300 0.033 0.000 1.063 62 R HN 0.943 nan 8.270 nan 0.000 0.511 63 T N 0.208 114.812 114.554 0.083 0.000 2.918 63 T HA 0.042 4.954 4.350 0.937 0.000 0.302 63 T C 1.036 175.739 174.700 0.006 0.000 1.045 63 T CA -0.146 61.988 62.100 0.057 0.000 1.114 63 T CB 0.468 69.325 68.868 -0.019 0.000 0.965 63 T HN 0.479 nan 8.240 nan 0.000 0.540 64 E N 1.908 122.108 120.200 0.000 0.000 2.418 64 E HA -0.047 4.865 4.350 0.937 0.000 0.197 64 E C 1.863 178.459 176.600 -0.007 0.000 1.026 64 E CA 0.583 56.984 56.400 0.002 0.000 0.862 64 E CB 0.151 29.869 29.700 0.031 0.000 0.799 64 E HN 0.638 nan 8.360 nan 0.000 0.518 65 K N 0.685 121.061 120.400 -0.040 0.000 2.360 65 K HA -0.111 4.771 4.320 0.937 0.000 0.201 65 K C 0.771 177.359 176.600 -0.021 0.000 1.046 65 K CA 0.756 57.019 56.287 -0.040 0.000 0.945 65 K CB 0.162 32.559 32.500 -0.171 0.000 0.750 65 K HN 0.047 nan 8.250 nan 0.000 0.464 66 D N 0.417 120.784 120.400 -0.054 0.000 2.342 66 D HA 0.092 5.294 4.640 0.937 0.000 0.221 66 D C 0.027 176.218 176.300 -0.182 0.000 1.101 66 D CA 0.088 54.033 54.000 -0.092 0.000 0.837 66 D CB 0.319 41.063 40.800 -0.093 0.000 0.938 66 D HN 0.129 nan 8.370 nan 0.000 0.508 67 A N -0.211 122.526 122.820 -0.139 0.000 2.366 67 A HA 0.207 5.089 4.320 0.937 0.000 0.249 67 A C 0.824 178.297 177.584 -0.186 0.000 1.084 67 A CA -0.326 51.590 52.037 -0.202 0.000 0.794 67 A CB 0.133 19.088 19.000 -0.074 0.000 1.034 67 A HN -0.016 nan 8.150 nan 0.000 0.491 68 F N 1.348 121.330 119.950 0.053 0.000 2.161 68 F HA -0.084 5.037 4.527 0.989 0.000 0.300 68 F C 2.453 178.287 175.800 0.057 0.000 1.089 68 F CA 2.030 60.076 58.000 0.077 0.000 1.282 68 F CB -0.675 38.380 39.000 0.091 0.000 1.010 68 F HN 0.627 nan 8.300 nan 0.000 0.485 69 G N -1.038 107.845 108.800 0.139 0.000 2.572 69 G HA2 -0.135 4.387 3.960 0.937 0.000 0.216 69 G HA3 -0.135 4.387 3.960 0.937 0.000 0.216 69 G C 1.512 176.515 174.900 0.171 0.000 1.133 69 G CA 0.536 45.673 45.100 0.060 0.000 0.791 69 G HN 0.263 nan 8.290 nan 0.000 0.538 70 N N 0.434 119.220 118.700 0.142 0.000 2.510 70 N HA 0.143 5.445 4.740 0.937 0.000 0.186 70 N C 1.205 176.818 175.510 0.172 0.000 1.051 70 N CA 0.339 53.510 53.050 0.202 0.000 0.877 70 N CB 0.107 38.709 38.487 0.192 0.000 1.183 70 N HN 0.202 nan 8.380 nan 0.000 0.443 71 A N 1.796 124.684 122.820 0.113 0.000 2.546 71 A HA 0.072 4.954 4.320 0.937 0.000 0.243 71 A C 0.787 178.458 177.584 0.145 0.000 1.063 71 A CA 0.100 52.197 52.037 0.099 0.000 0.757 71 A CB -0.440 18.583 19.000 0.039 0.000 0.991 71 A HN 0.471 nan 8.150 nan 0.000 0.503 72 N N 0.472 119.250 118.700 0.130 0.000 2.716 72 N HA -0.196 5.106 4.740 0.937 0.000 0.250 72 N C 0.329 175.937 175.510 0.165 0.000 1.033 72 N CA 1.663 54.792 53.050 0.132 0.000 0.727 72 N CB -0.926 37.632 38.487 0.118 0.000 0.950 72 N HN 0.767 nan 8.380 nan 0.000 0.541 73 S N -2.310 113.493 115.700 0.172 0.000 4.074 73 S HA 0.526 5.558 4.470 0.937 0.000 0.220 73 S C 0.101 174.778 174.600 0.128 0.000 1.164 73 S CA 0.431 58.737 58.200 0.177 0.000 1.020 73 S CB -0.461 62.869 63.200 0.217 0.000 1.299 73 S HN 0.677 nan 8.310 nan 0.000 0.509 74 A N 2.931 125.842 122.820 0.153 0.000 2.445 74 A HA 0.654 5.536 4.320 0.937 0.000 0.242 74 A C 0.271 177.862 177.584 0.011 0.000 1.075 74 A CA -0.064 52.019 52.037 0.077 0.000 0.777 74 A CB 0.012 19.153 19.000 0.235 0.000 1.013 74 A HN 0.742 nan 8.150 nan 0.000 0.493 75 R N -0.191 120.155 120.500 -0.257 0.000 2.747 75 R HA 0.681 5.583 4.340 0.937 0.000 0.272 75 R C 0.382 176.387 176.300 -0.492 0.000 1.032 75 R CA -0.369 55.564 56.100 -0.278 0.000 0.896 75 R CB 0.516 30.762 30.300 -0.091 0.000 1.253 75 R HN 2.090 nan 8.270 nan 0.000 0.461 76 G N -0.249 108.365 108.800 -0.311 0.000 2.176 76 G HA2 -0.269 4.253 3.960 0.937 0.000 0.232 76 G HA3 -0.269 4.253 3.960 0.937 0.000 0.232 76 G C 0.248 175.021 174.900 -0.212 0.000 0.986 76 G CA 0.253 45.206 45.100 -0.245 0.000 0.643 76 G HN 0.449 nan 8.290 nan 0.000 0.522 77 F N 1.464 121.421 119.950 0.012 0.000 2.154 77 F HA 0.017 5.102 4.527 0.931 0.000 0.301 77 F C 0.637 176.443 175.800 0.009 0.000 1.087 77 F CA 2.023 60.032 58.000 0.014 0.000 1.274 77 F CB -1.517 37.494 39.000 0.018 0.000 1.009 77 F HN 0.269 nan 8.300 nan 0.000 0.485 78 P HA -0.086 nan 4.420 nan 0.000 0.219 78 P C 1.877 179.208 177.300 0.051 0.000 1.150 78 P CA 1.075 64.231 63.100 0.094 0.000 0.814 78 P CB 0.019 31.762 31.700 0.071 0.000 0.787 79 V N -0.194 119.735 119.914 0.025 0.000 2.427 79 V HA -0.191 4.491 4.120 0.937 0.000 0.248 79 V C 2.237 178.334 176.094 0.005 0.000 1.051 79 V CA 1.396 63.697 62.300 0.001 0.000 1.048 79 V CB -1.022 30.786 31.823 -0.026 0.000 0.666 79 V HN 0.050 nan 8.190 nan 0.000 0.456 80 I N 0.227 120.810 120.570 0.021 0.000 2.315 80 I HA -0.157 4.575 4.170 0.937 0.000 0.248 80 I C 2.268 178.408 176.117 0.039 0.000 1.117 80 I CA 1.407 62.726 61.300 0.032 0.000 1.404 80 I CB -1.278 36.765 38.000 0.072 0.000 1.071 80 I HN 0.335 nan 8.210 nan 0.000 0.419 81 D N 0.446 120.879 120.400 0.056 0.000 2.144 81 D HA -0.196 5.006 4.640 0.937 0.000 0.199 81 D C 2.279 178.591 176.300 0.020 0.000 0.984 81 D CA 0.958 54.983 54.000 0.042 0.000 0.834 81 D CB -0.153 40.677 40.800 0.049 0.000 0.955 81 D HN 0.305 nan 8.370 nan 0.000 0.465 82 R N 0.607 121.116 120.500 0.015 0.000 2.070 82 R HA -0.112 4.790 4.340 0.937 0.000 0.233 82 R C 2.586 178.883 176.300 -0.006 0.000 1.137 82 R CA 1.564 57.666 56.100 0.004 0.000 0.945 82 R CB -0.172 30.130 30.300 0.002 0.000 0.845 82 R HN 0.215 nan 8.270 nan 0.000 0.430 83 M N -0.178 119.416 119.600 -0.010 0.000 2.213 83 M HA -0.057 4.985 4.480 0.937 0.000 0.263 83 M C 1.989 178.273 176.300 -0.026 0.000 1.062 83 M CA 1.729 57.015 55.300 -0.023 0.000 1.105 83 M CB -0.286 32.295 32.600 -0.031 0.000 1.385 83 M HN -0.126 nan 8.290 nan 0.000 0.417 84 K N 1.551 121.942 120.400 -0.014 0.000 2.057 84 K HA 0.040 4.922 4.320 0.937 0.000 0.206 84 K C 2.045 178.635 176.600 -0.017 0.000 1.050 84 K CA 1.997 58.275 56.287 -0.016 0.000 0.935 84 K CB -0.730 31.770 32.500 0.001 0.000 0.715 84 K HN 0.418 nan 8.250 nan 0.000 0.439 85 A N 0.600 123.414 122.820 -0.009 0.000 1.902 85 A HA -0.040 4.842 4.320 0.937 0.000 0.217 85 A C 2.397 179.972 177.584 -0.016 0.000 1.181 85 A CA 2.095 54.126 52.037 -0.009 0.000 0.623 85 A CB -1.109 17.889 19.000 -0.004 0.000 0.818 85 A HN 0.445 nan 8.150 nan 0.000 0.443 86 A N -0.625 122.183 122.820 -0.020 0.000 1.902 86 A HA 0.008 4.890 4.320 0.937 0.000 0.217 86 A C 2.226 179.790 177.584 -0.034 0.000 1.181 86 A CA 1.779 53.802 52.037 -0.024 0.000 0.623 86 A CB -0.923 18.062 19.000 -0.025 0.000 0.818 86 A HN 0.395 nan 8.150 nan 0.000 0.443 87 V N 0.253 120.140 119.914 -0.044 0.000 2.343 87 V HA -0.191 4.491 4.120 0.937 0.000 0.247 87 V C 2.509 178.570 176.094 -0.055 0.000 1.051 87 V CA 2.015 64.277 62.300 -0.063 0.000 1.036 87 V CB -0.696 31.074 31.823 -0.089 0.000 0.654 87 V HN 0.492 nan 8.190 nan 0.000 0.451 88 E N -0.181 119.995 120.200 -0.040 0.000 2.153 88 E HA -0.167 4.745 4.350 0.937 0.000 0.194 88 E C 2.472 179.059 176.600 -0.023 0.000 0.988 88 E CA 1.452 57.834 56.400 -0.029 0.000 0.811 88 E CB -0.322 29.367 29.700 -0.017 0.000 0.746 88 E HN 0.545 nan 8.360 nan 0.000 0.466 89 S N -0.011 115.676 115.700 -0.022 0.000 2.371 89 S HA -0.036 4.996 4.470 0.937 0.000 0.224 89 S C 1.966 176.554 174.600 -0.020 0.000 1.029 89 S CA 1.050 59.240 58.200 -0.017 0.000 0.978 89 S CB 0.062 63.253 63.200 -0.016 0.000 0.833 89 S HN 0.298 nan 8.310 nan 0.000 0.466 90 A N -0.340 122.464 122.820 -0.027 0.000 1.930 90 A HA 0.136 5.018 4.320 0.937 0.000 0.215 90 A C 1.040 178.607 177.584 -0.028 0.000 1.176 90 A CA 0.971 52.991 52.037 -0.028 0.000 0.632 90 A CB -0.363 18.616 19.000 -0.035 0.000 0.819 90 A HN 0.614 nan 8.150 nan 0.000 0.445 91 c N -0.140 118.439 118.600 -0.036 0.000 3.123 91 c HA 0.421 5.554 4.570 0.937 0.000 0.284 91 c C -2.956 171.118 174.090 -0.027 0.000 1.076 91 c CA -1.657 54.652 56.329 -0.032 0.000 1.416 91 c CB 0.375 42.854 42.510 -0.050 0.000 1.841 91 c HN 0.237 nan 8.230 nan 0.000 0.501 92 P HA 0.075 nan 4.420 nan 0.000 0.261 92 P C 0.350 177.653 177.300 0.004 0.000 1.183 92 P CA 0.784 63.880 63.100 -0.006 0.000 0.761 92 P CB 0.223 31.922 31.700 -0.002 0.000 0.785 93 R N 0.688 121.192 120.500 0.007 0.000 3.416 93 R HA -0.179 4.723 4.340 0.937 0.000 0.263 93 R C 0.404 176.730 176.300 0.043 0.000 1.053 93 R CA 0.934 57.048 56.100 0.023 0.000 0.705 93 R CB -2.805 27.511 30.300 0.026 0.000 1.124 93 R HN 0.504 nan 8.270 nan 0.000 0.444 94 T N -1.416 113.155 114.554 0.029 0.000 3.085 94 T HA 0.133 5.045 4.350 0.937 0.000 0.241 94 T C 0.702 175.459 174.700 0.096 0.000 0.988 94 T CA 0.435 62.580 62.100 0.075 0.000 1.117 94 T CB 0.645 69.534 68.868 0.034 0.000 0.978 94 T HN 0.049 nan 8.240 nan 0.000 0.454 95 V N 4.228 124.081 119.914 -0.102 0.000 2.383 95 V HA 0.436 5.118 4.120 0.937 0.000 0.275 95 V C 0.472 176.553 176.094 -0.021 0.000 1.036 95 V CA -1.071 61.093 62.300 -0.226 0.000 0.889 95 V CB 0.970 32.510 31.823 -0.472 0.000 0.985 95 V HN 0.571 nan 8.190 nan 0.000 0.459 96 S N 3.408 119.166 115.700 0.097 0.000 2.584 96 S HA 0.051 5.083 4.470 0.937 0.000 0.270 96 S C 1.212 175.837 174.600 0.041 0.000 1.346 96 S CA -0.422 57.822 58.200 0.074 0.000 1.018 96 S CB 0.841 64.093 63.200 0.087 0.000 0.899 96 S HN 0.727 nan 8.310 nan 0.000 0.542 97 c N 1.473 120.097 118.600 0.040 0.000 2.435 97 c HA 0.056 5.188 4.570 0.937 0.000 0.279 97 c C 3.098 177.220 174.090 0.054 0.000 1.321 97 c CA 0.836 57.189 56.329 0.041 0.000 1.752 97 c CB -2.086 40.455 42.510 0.050 0.000 1.959 97 c HN 1.008 nan 8.230 nan 0.000 0.500 98 A N 0.800 123.657 122.820 0.060 0.000 1.877 98 A HA -0.204 4.678 4.320 0.937 0.000 0.216 98 A C 1.818 179.444 177.584 0.071 0.000 1.186 98 A CA 2.178 54.260 52.037 0.075 0.000 0.620 98 A CB -0.570 18.465 19.000 0.057 0.000 0.822 98 A HN 0.495 nan 8.150 nan 0.000 0.443 99 D N -0.672 119.764 120.400 0.060 0.000 2.123 99 D HA -0.085 5.117 4.640 0.937 0.000 0.200 99 D C 1.855 178.169 176.300 0.023 0.000 0.976 99 D CA 0.991 55.032 54.000 0.068 0.000 0.831 99 D CB -0.348 40.568 40.800 0.192 0.000 0.974 99 D HN 0.308 nan 8.370 nan 0.000 0.469 100 L N 0.441 121.667 121.223 0.004 0.000 2.042 100 L HA -0.139 4.763 4.340 0.937 0.000 0.210 100 L C 2.017 178.859 176.870 -0.046 0.000 1.076 100 L CA 1.305 56.122 54.840 -0.038 0.000 0.749 100 L CB -0.437 41.601 42.059 -0.034 0.000 0.893 100 L HN 0.034 nan 8.230 nan 0.000 0.432 101 L N -1.403 119.813 121.223 -0.012 0.000 2.217 101 L HA -0.099 4.803 4.340 0.937 0.000 0.211 101 L C 2.225 179.001 176.870 -0.157 0.000 1.107 101 L CA 2.035 56.866 54.840 -0.015 0.000 0.783 101 L CB -0.864 41.251 42.059 0.093 0.000 0.919 101 L HN 0.292 nan 8.230 nan 0.000 0.442 102 T N -0.206 114.225 114.554 -0.204 0.000 2.777 102 T HA -0.094 4.818 4.350 0.937 0.000 0.266 102 T C 1.962 176.423 174.700 -0.398 0.000 1.040 102 T CA 1.882 63.669 62.100 -0.521 0.000 1.141 102 T CB -0.224 68.527 68.868 -0.196 0.000 0.868 102 T HN 0.303 nan 8.240 nan 0.000 0.444 103 I N 1.485 121.916 120.570 -0.232 0.000 2.226 103 I HA -0.160 4.572 4.170 0.937 0.000 0.245 103 I C 2.950 178.932 176.117 -0.226 0.000 1.100 103 I CA 1.052 62.217 61.300 -0.225 0.000 1.374 103 I CB -0.528 37.388 38.000 -0.140 0.000 1.057 103 I HN 0.184 nan 8.210 nan 0.000 0.413 104 A N 0.890 123.606 122.820 -0.173 0.000 1.933 104 A HA -0.160 4.722 4.320 0.937 0.000 0.218 104 A C 2.553 180.056 177.584 -0.134 0.000 1.175 104 A CA 1.902 53.861 52.037 -0.130 0.000 0.628 104 A CB -0.735 18.213 19.000 -0.086 0.000 0.814 104 A HN 0.440 nan 8.150 nan 0.000 0.444 105 A N -1.044 121.670 122.820 -0.176 0.000 1.873 105 A HA -0.190 4.692 4.320 0.937 0.000 0.215 105 A C 2.223 179.732 177.584 -0.125 0.000 1.186 105 A CA 1.753 53.728 52.037 -0.103 0.000 0.616 105 A CB -0.519 18.391 19.000 -0.150 0.000 0.823 105 A HN 0.547 nan 8.150 nan 0.000 0.442 106 Q N -0.592 119.027 119.800 -0.302 0.000 2.050 106 Q HA -0.209 4.693 4.340 0.937 0.000 0.202 106 Q C 2.008 177.758 176.000 -0.416 0.000 0.980 106 Q CA 1.797 57.266 55.803 -0.557 0.000 0.840 106 Q CB -0.329 27.799 28.738 -1.017 0.000 0.898 106 Q HN 0.661 nan 8.270 nan 0.000 0.424 107 Q N -0.031 119.588 119.800 -0.302 0.000 2.167 107 Q HA -0.047 4.855 4.340 0.937 0.000 0.202 107 Q C 2.226 178.152 176.000 -0.123 0.000 0.970 107 Q CA 1.263 56.944 55.803 -0.203 0.000 0.855 107 Q CB -0.190 28.454 28.738 -0.157 0.000 0.911 107 Q HN 0.292 nan 8.270 nan 0.000 0.438 108 S N 0.437 116.088 115.700 -0.083 0.000 2.368 108 S HA -0.095 4.937 4.470 0.937 0.000 0.225 108 S C 2.183 176.801 174.600 0.031 0.000 1.030 108 S CA 1.044 59.248 58.200 0.008 0.000 0.999 108 S CB -0.172 63.060 63.200 0.052 0.000 0.844 108 S HN 0.138 nan 8.310 nan 0.000 0.459 109 V N 1.643 121.515 119.914 -0.070 0.000 2.343 109 V HA -0.174 4.508 4.120 0.937 0.000 0.247 109 V C 2.491 178.380 176.094 -0.342 0.000 1.051 109 V CA 2.085 64.187 62.300 -0.329 0.000 1.036 109 V CB -1.202 30.360 31.823 -0.434 0.000 0.654 109 V HN 0.520 nan 8.190 nan 0.000 0.451 110 T N 0.230 114.655 114.554 -0.215 0.000 2.737 110 T HA -0.100 4.812 4.350 0.937 0.000 0.265 110 T C 1.888 176.541 174.700 -0.078 0.000 1.038 110 T CA 1.348 63.355 62.100 -0.155 0.000 1.144 110 T CB -0.291 68.497 68.868 -0.133 0.000 0.866 110 T HN 0.283 nan 8.240 nan 0.000 0.434 111 L N 0.742 121.937 121.223 -0.047 0.000 2.191 111 L HA -0.030 4.872 4.340 0.937 0.000 0.212 111 L C 2.606 179.506 176.870 0.050 0.000 1.103 111 L CA 0.855 55.697 54.840 0.003 0.000 0.769 111 L CB -0.432 41.632 42.059 0.009 0.000 0.908 111 L HN 0.237 nan 8.230 nan 0.000 0.438 112 A N -0.842 122.024 122.820 0.077 0.000 2.251 112 A HA 0.342 5.225 4.320 0.937 0.000 0.209 112 A C 1.624 179.285 177.584 0.127 0.000 1.187 112 A CA 0.707 52.841 52.037 0.162 0.000 0.823 112 A CB -0.286 18.911 19.000 0.329 0.000 0.846 112 A HN 0.506 nan 8.150 nan 0.000 0.486 113 G N -2.236 106.605 108.800 0.067 0.000 2.163 113 G HA2 -0.009 4.513 3.960 0.937 0.000 0.213 113 G HA3 -0.009 4.513 3.960 0.937 0.000 0.213 113 G C 0.703 175.660 174.900 0.097 0.000 0.991 113 G CA 0.150 45.311 45.100 0.103 0.000 0.653 113 G HN 1.259 nan 8.290 nan 0.000 0.518 114 G N 0.172 108.890 108.800 -0.136 0.000 2.525 114 G HA2 0.730 5.252 3.960 0.937 0.000 0.287 114 G HA3 0.730 5.252 3.960 0.937 0.000 0.287 114 G C -1.601 172.915 174.900 -0.639 0.000 1.350 114 G CA -0.487 44.264 45.100 -0.581 0.000 1.039 114 G HN 0.269 nan 8.290 nan 0.000 0.513 115 P HA 0.168 nan 4.420 nan 0.000 0.271 115 P C -0.557 176.744 177.300 0.003 0.000 1.233 115 P CA 0.006 62.846 63.100 -0.434 0.000 0.789 115 P CB 1.330 32.711 31.700 -0.533 0.000 0.951 116 S N 1.132 116.910 115.700 0.129 0.000 2.519 116 S HA 0.735 5.767 4.470 0.937 0.000 0.309 116 S C -1.447 173.346 174.600 0.322 0.000 1.100 116 S CA -0.600 57.696 58.200 0.160 0.000 1.059 116 S CB 0.033 63.257 63.200 0.040 0.000 1.008 116 S HN 0.616 nan 8.310 nan 0.000 0.478 117 W N 3.456 124.700 121.300 -0.093 0.000 3.005 117 W HA 0.631 5.852 4.660 0.935 0.000 0.343 117 W C -1.773 174.712 176.519 -0.056 0.000 1.243 117 W CA -1.131 56.174 57.345 -0.067 0.000 1.186 117 W CB 0.613 30.028 29.460 -0.074 0.000 1.453 117 W HN 0.466 nan 8.180 nan 0.000 0.575 118 R N 2.564 123.057 120.500 -0.011 0.000 2.229 118 R HA 0.465 5.367 4.340 0.937 0.000 0.332 118 R C 0.029 176.279 176.300 -0.083 0.000 0.989 118 R CA -0.856 55.165 56.100 -0.132 0.000 0.842 118 R CB 1.545 31.835 30.300 -0.018 0.000 1.119 118 R HN 0.530 nan 8.270 nan 0.000 0.456 119 V N 1.390 121.157 119.914 -0.245 0.000 2.775 119 V HA 0.335 5.017 4.120 0.937 0.000 0.299 119 V C -2.240 173.857 176.094 0.006 0.000 1.062 119 V CA -2.195 60.061 62.300 -0.073 0.000 1.063 119 V CB 0.568 32.291 31.823 -0.166 0.000 0.994 119 V HN 0.545 nan 8.190 nan 0.000 0.483 120 P HA 0.424 nan 4.420 nan 0.000 0.271 120 P C -0.635 176.652 177.300 -0.022 0.000 1.218 120 P CA 0.084 63.197 63.100 0.021 0.000 0.780 120 P CB 0.554 32.271 31.700 0.029 0.000 0.901 121 L N 0.999 122.181 121.223 -0.067 0.000 2.257 121 L HA 0.759 5.661 4.340 0.937 0.000 0.257 121 L C 1.136 177.704 176.870 -0.502 0.000 1.033 121 L CA -0.534 54.199 54.840 -0.179 0.000 0.835 121 L CB 1.835 43.839 42.059 -0.092 0.000 1.398 121 L HN 0.632 nan 8.230 nan 0.000 0.429 122 G N 0.108 108.358 108.800 -0.916 0.000 2.227 122 G HA2 -0.140 4.382 3.960 0.937 0.000 0.168 122 G HA3 -0.140 4.382 3.960 0.937 0.000 0.168 122 G C 0.076 174.584 174.900 -0.652 0.000 1.006 122 G CA -0.653 43.557 45.100 -1.483 0.000 0.684 122 G HN 0.448 nan 8.290 nan 0.000 0.489 123 R N 0.228 120.522 120.500 -0.344 0.000 2.641 123 R HA 0.676 5.578 4.340 0.937 0.000 0.269 123 R C 0.517 176.758 176.300 -0.099 0.000 1.074 123 R CA 0.125 56.131 56.100 -0.156 0.000 1.133 123 R CB 0.576 30.839 30.300 -0.062 0.000 1.029 123 R HN 0.273 nan 8.270 nan 0.000 0.488 124 R N 0.290 120.762 120.500 -0.047 0.000 2.892 124 R HA 0.258 5.160 4.340 0.937 0.000 0.265 124 R C -1.059 175.251 176.300 0.017 0.000 1.025 124 R CA -0.987 55.111 56.100 -0.002 0.000 0.982 124 R CB 1.393 31.695 30.300 0.003 0.000 1.185 124 R HN 0.511 nan 8.270 nan 0.000 0.484 125 D N 1.093 121.512 120.400 0.031 0.000 2.256 125 D HA 0.071 5.273 4.640 0.937 0.000 0.250 125 D C 0.161 176.480 176.300 0.033 0.000 1.093 125 D CA 0.026 54.047 54.000 0.036 0.000 0.882 125 D CB 1.460 42.283 40.800 0.039 0.000 1.185 125 D HN 0.497 nan 8.370 nan 0.000 0.437 126 S N 1.331 117.054 115.700 0.038 0.000 2.580 126 S HA 0.095 5.127 4.470 0.937 0.000 0.266 126 S C 0.930 175.525 174.600 -0.010 0.000 1.354 126 S CA -0.357 57.865 58.200 0.037 0.000 1.008 126 S CB 0.592 63.842 63.200 0.083 0.000 0.898 126 S HN 0.453 nan 8.310 nan 0.000 0.555 127 L N 0.922 122.122 121.223 -0.038 0.000 2.769 127 L HA 0.328 5.231 4.340 0.937 0.000 0.240 127 L C 0.687 177.448 176.870 -0.182 0.000 1.163 127 L CA -0.256 54.553 54.840 -0.052 0.000 0.962 127 L CB -0.731 41.321 42.059 -0.013 0.000 1.258 127 L HN 0.844 nan 8.230 nan 0.000 0.513 128 Q N -0.943 118.601 119.800 -0.426 0.000 2.687 128 Q HA 0.754 5.656 4.340 0.937 0.000 0.295 128 Q C -1.709 173.531 176.000 -1.265 0.000 0.920 128 Q CA -0.921 54.229 55.803 -1.089 0.000 0.766 128 Q CB 2.075 30.235 28.738 -0.964 0.000 1.467 128 Q HN -0.076 nan 8.270 nan 0.000 0.415 129 A N 0.568 122.349 122.820 -1.732 0.000 2.322 129 A HA 0.854 5.736 4.320 0.937 0.000 0.327 129 A C -1.410 175.533 177.584 -1.068 0.000 1.134 129 A CA -0.716 50.730 52.037 -0.984 0.000 0.831 129 A CB 0.822 19.556 19.000 -0.444 0.000 1.288 129 A HN 0.536 nan 8.150 nan 0.000 0.472 130 F N 1.791 121.643 119.950 -0.164 0.000 2.660 130 F HA 0.257 5.344 4.527 0.933 0.000 0.352 130 F C 0.844 176.612 175.800 -0.053 0.000 1.257 130 F CA -0.469 57.471 58.000 -0.100 0.000 1.200 130 F CB 1.117 40.062 39.000 -0.093 0.000 1.473 130 F HN 0.496 nan 8.300 nan 0.000 0.561 131 L N 1.042 122.304 121.223 0.065 0.000 1.989 131 L HA -0.160 4.742 4.340 0.937 0.000 0.211 131 L C 1.851 178.758 176.870 0.061 0.000 1.071 131 L CA 2.166 57.032 54.840 0.043 0.000 0.749 131 L CB -0.395 41.673 42.059 0.015 0.000 0.890 131 L HN 0.335 nan 8.230 nan 0.000 0.431 132 D N -0.593 119.855 120.400 0.081 0.000 2.123 132 D HA -0.205 4.997 4.640 0.937 0.000 0.196 132 D C 2.227 178.585 176.300 0.096 0.000 0.992 132 D CA 1.514 55.569 54.000 0.092 0.000 0.833 132 D CB -0.258 40.596 40.800 0.091 0.000 0.954 132 D HN 0.311 nan 8.370 nan 0.000 0.455 133 L N 0.820 122.106 121.223 0.106 0.000 2.083 133 L HA -0.072 4.830 4.340 0.937 0.000 0.209 133 L C 2.141 179.036 176.870 0.041 0.000 1.083 133 L CA 1.506 56.382 54.840 0.059 0.000 0.752 133 L CB -0.692 41.377 42.059 0.018 0.000 0.899 133 L HN -0.040 nan 8.230 nan 0.000 0.433 134 A N -0.636 122.215 122.820 0.051 0.000 1.902 134 A HA -0.203 4.679 4.320 0.937 0.000 0.217 134 A C 2.073 179.670 177.584 0.021 0.000 1.181 134 A CA 1.789 53.827 52.037 0.001 0.000 0.623 134 A CB -0.694 18.301 19.000 -0.008 0.000 0.818 134 A HN 0.562 nan 8.150 nan 0.000 0.443 135 N N 0.210 118.959 118.700 0.082 0.000 2.309 135 N HA -0.046 5.257 4.740 0.937 0.000 0.182 135 N C 1.695 177.311 175.510 0.176 0.000 1.018 135 N CA 1.383 54.545 53.050 0.188 0.000 0.876 135 N CB -0.372 38.283 38.487 0.281 0.000 0.972 135 N HN 0.497 nan 8.380 nan 0.000 0.434 136 A N 0.415 123.312 122.820 0.128 0.000 1.984 136 A HA 0.066 4.948 4.320 0.937 0.000 0.214 136 A C 1.891 179.553 177.584 0.129 0.000 1.173 136 A CA 0.819 52.933 52.037 0.128 0.000 0.673 136 A CB -0.042 19.014 19.000 0.094 0.000 0.830 136 A HN 0.147 nan 8.150 nan 0.000 0.453 137 N N -0.282 118.470 118.700 0.086 0.000 2.402 137 N HA 0.149 5.451 4.740 0.937 0.000 0.174 137 N C 0.183 175.777 175.510 0.140 0.000 1.027 137 N CA 0.233 53.341 53.050 0.098 0.000 0.891 137 N CB -0.208 38.296 38.487 0.028 0.000 1.016 137 N HN 0.375 nan 8.380 nan 0.000 0.439 138 L N 3.399 124.626 121.223 0.006 0.000 2.410 138 L HA 0.216 5.119 4.340 0.937 0.000 0.273 138 L C -1.815 174.995 176.870 -0.099 0.000 1.144 138 L CA -1.433 53.325 54.840 -0.137 0.000 0.863 138 L CB 0.272 42.099 42.059 -0.386 0.000 1.140 138 L HN 0.012 nan 8.230 nan 0.000 0.463 139 P HA 0.201 nan 4.420 nan 0.000 0.272 139 P C -0.957 175.876 177.300 -0.778 0.000 1.230 139 P CA -0.430 62.467 63.100 -0.338 0.000 0.788 139 P CB 1.337 33.114 31.700 0.128 0.000 0.949 140 A N 2.944 124.717 122.820 -1.745 0.000 2.337 140 A HA 0.567 5.449 4.320 0.937 0.000 0.331 140 A C -1.578 175.446 177.584 -0.935 0.000 1.137 140 A CA -1.705 49.507 52.037 -1.376 0.000 0.807 140 A CB 0.621 18.414 19.000 -2.010 0.000 1.250 140 A HN 0.374 nan 8.150 nan 0.000 0.468 141 P HA -0.113 nan 4.420 nan 0.000 0.222 141 P C 0.704 178.012 177.300 0.014 0.000 1.147 141 P CA 1.212 64.218 63.100 -0.157 0.000 0.790 141 P CB -0.128 31.549 31.700 -0.038 0.000 0.780 142 F N -3.455 116.584 119.950 0.149 0.000 2.732 142 F HA 0.373 4.930 4.527 0.049 0.000 0.303 142 F C 0.591 176.611 175.800 0.367 0.000 1.110 142 F CA -1.627 56.522 58.000 0.248 0.000 1.355 142 F CB -1.297 37.825 39.000 0.203 0.000 1.081 142 F HN -0.358 nan 8.300 nan 0.000 0.565 143 F N 2.550 122.511 119.950 0.019 0.000 2.506 143 F HA 0.282 5.393 4.527 0.973 0.000 0.351 143 F C 1.354 177.245 175.800 0.152 0.000 1.136 143 F CA -1.375 56.683 58.000 0.097 0.000 1.298 143 F CB 0.662 39.677 39.000 0.025 0.000 1.145 143 F HN 0.086 nan 8.300 nan 0.000 0.593 144 T N 0.701 115.411 114.554 0.259 0.000 2.824 144 T HA 0.269 5.181 4.350 0.937 0.000 0.277 144 T C 1.114 175.905 174.700 0.152 0.000 0.975 144 T CA -0.779 61.431 62.100 0.183 0.000 0.966 144 T CB 0.870 69.802 68.868 0.106 0.000 1.054 144 T HN 0.435 nan 8.240 nan 0.000 0.533 145 L N 1.420 122.713 121.223 0.118 0.000 2.046 145 L HA 0.157 5.059 4.340 0.937 0.000 0.208 145 L C -0.880 176.027 176.870 0.061 0.000 1.077 145 L CA 1.583 56.476 54.840 0.089 0.000 0.747 145 L CB -1.769 40.329 42.059 0.064 0.000 0.896 145 L HN 0.526 nan 8.230 nan 0.000 0.432 146 P HA -0.197 nan 4.420 nan 0.000 0.215 146 P C 1.503 178.803 177.300 -0.001 0.000 1.153 146 P CA 1.543 64.652 63.100 0.016 0.000 0.853 146 P CB -0.027 31.674 31.700 0.002 0.000 0.788 147 Q N -1.032 118.738 119.800 -0.050 0.000 2.119 147 Q HA -0.088 4.814 4.340 0.937 0.000 0.201 147 Q C 2.155 178.177 176.000 0.037 0.000 0.972 147 Q CA 1.045 56.728 55.803 -0.199 0.000 0.847 147 Q CB -0.604 27.751 28.738 -0.638 0.000 0.903 147 Q HN 0.283 nan 8.270 nan 0.000 0.433 148 L N 0.565 121.914 121.223 0.210 0.000 2.017 148 L HA -0.211 4.691 4.340 0.937 0.000 0.208 148 L C 2.281 179.297 176.870 0.244 0.000 1.073 148 L CA 1.308 56.346 54.840 0.330 0.000 0.745 148 L CB -0.329 41.841 42.059 0.185 0.000 0.894 148 L HN 0.123 nan 8.230 nan 0.000 0.432 149 K N -0.167 120.304 120.400 0.120 0.000 2.026 149 K HA -0.182 4.700 4.320 0.937 0.000 0.208 149 K C 1.756 178.460 176.600 0.173 0.000 1.048 149 K CA 1.576 57.927 56.287 0.107 0.000 0.929 149 K CB -0.230 32.302 32.500 0.054 0.000 0.713 149 K HN 0.230 nan 8.250 nan 0.000 0.439 150 D N 0.271 120.748 120.400 0.129 0.000 2.149 150 D HA -0.139 5.063 4.640 0.937 0.000 0.198 150 D C 1.966 178.377 176.300 0.185 0.000 0.990 150 D CA 1.034 55.099 54.000 0.108 0.000 0.839 150 D CB -0.269 40.550 40.800 0.033 0.000 0.948 150 D HN 0.020 nan 8.370 nan 0.000 0.460 151 S N -0.843 115.044 115.700 0.312 0.000 2.356 151 S HA -0.140 4.892 4.470 0.937 0.000 0.223 151 S C 1.850 176.712 174.600 0.436 0.000 1.032 151 S CA 0.748 59.210 58.200 0.437 0.000 1.005 151 S CB -0.296 63.311 63.200 0.678 0.000 0.867 151 S HN 0.068 nan 8.310 nan 0.000 0.449 152 F N 1.848 121.954 119.950 0.259 0.000 2.113 152 F HA 0.136 5.219 4.527 0.927 0.000 0.297 152 F C 2.536 178.335 175.800 -0.000 0.000 1.103 152 F CA 1.106 59.215 58.000 0.181 0.000 1.248 152 F CB -0.696 38.447 39.000 0.238 0.000 0.999 152 F HN 0.133 nan 8.300 nan 0.000 0.475 153 R N -0.067 120.562 120.500 0.215 0.000 2.091 153 R HA -0.239 4.663 4.340 0.937 0.000 0.238 153 R C 1.923 178.223 176.300 0.001 0.000 1.136 153 R CA 1.646 57.797 56.100 0.086 0.000 0.959 153 R CB -0.843 29.507 30.300 0.083 0.000 0.856 153 R HN 0.258 nan 8.270 nan 0.000 0.437 154 N N 0.656 119.358 118.700 0.004 0.000 2.205 154 N HA -0.140 5.162 4.740 0.937 0.000 0.186 154 N C 1.470 176.897 175.510 -0.138 0.000 1.015 154 N CA 1.509 54.532 53.050 -0.044 0.000 0.862 154 N CB 0.153 38.637 38.487 -0.005 0.000 0.986 154 N HN 0.194 nan 8.380 nan 0.000 0.429 155 V N -4.678 115.078 119.914 -0.264 0.000 3.647 155 V HA 0.549 5.231 4.120 0.937 0.000 0.279 155 V C 1.203 177.109 176.094 -0.313 0.000 1.314 155 V CA 0.503 62.564 62.300 -0.399 0.000 1.125 155 V CB -0.114 31.209 31.823 -0.833 0.000 0.907 155 V HN 0.301 nan 8.190 nan 0.000 0.434 156 G N 0.631 109.310 108.800 -0.201 0.000 2.175 156 G HA2 -0.149 4.373 3.960 0.937 0.000 0.182 156 G HA3 -0.149 4.373 3.960 0.937 0.000 0.182 156 G C -0.195 174.660 174.900 -0.075 0.000 1.003 156 G CA -0.044 44.980 45.100 -0.126 0.000 0.666 156 G HN 0.485 nan 8.290 nan 0.000 0.506 157 L N 1.554 122.747 121.223 -0.050 0.000 2.321 157 L HA 0.410 5.312 4.340 0.937 0.000 0.272 157 L C 0.981 177.935 176.870 0.141 0.000 1.050 157 L CA -0.929 53.955 54.840 0.072 0.000 0.893 157 L CB 0.889 43.045 42.059 0.162 0.000 1.272 157 L HN -0.034 nan 8.230 nan 0.000 0.435 158 N N 1.584 120.335 118.700 0.086 0.000 2.409 158 N HA 0.004 5.306 4.740 0.937 0.000 0.179 158 N C 0.437 175.999 175.510 0.086 0.000 1.032 158 N CA 0.584 53.682 53.050 0.080 0.000 0.898 158 N CB 0.214 38.728 38.487 0.044 0.000 0.971 158 N HN 0.471 nan 8.380 nan 0.000 0.441 159 R N 0.287 120.844 120.500 0.095 0.000 2.390 159 R HA 0.250 5.152 4.340 0.937 0.000 0.291 159 R C 1.029 177.381 176.300 0.086 0.000 1.070 159 R CA -0.146 56.002 56.100 0.081 0.000 1.014 159 R CB 0.717 31.063 30.300 0.077 0.000 1.007 159 R HN -0.053 nan 8.270 nan 0.000 0.466 160 S N 1.028 116.760 115.700 0.054 0.000 2.442 160 S HA -0.155 4.877 4.470 0.937 0.000 0.236 160 S C 1.881 176.519 174.600 0.062 0.000 1.007 160 S CA 1.601 59.820 58.200 0.032 0.000 0.965 160 S CB -0.042 63.165 63.200 0.012 0.000 0.773 160 S HN 0.799 nan 8.310 nan 0.000 0.504 161 S N 1.847 117.606 115.700 0.097 0.000 2.402 161 S HA -0.107 4.925 4.470 0.937 0.000 0.229 161 S C 1.300 176.027 174.600 0.212 0.000 1.021 161 S CA 0.885 59.192 58.200 0.179 0.000 0.974 161 S CB -0.347 62.961 63.200 0.179 0.000 0.800 161 S HN 0.357 nan 8.310 nan 0.000 0.484 162 D N 1.681 122.183 120.400 0.171 0.000 2.097 162 D HA -0.036 5.166 4.640 0.937 0.000 0.195 162 D C 1.934 178.374 176.300 0.233 0.000 0.989 162 D CA 1.046 55.179 54.000 0.222 0.000 0.827 162 D CB -0.489 40.490 40.800 0.298 0.000 0.966 162 D HN 0.383 nan 8.370 nan 0.000 0.456 163 L N 0.864 122.103 121.223 0.027 0.000 2.017 163 L HA -0.134 4.769 4.340 0.937 0.000 0.208 163 L C 2.261 179.088 176.870 -0.072 0.000 1.073 163 L CA 1.396 56.001 54.840 -0.392 0.000 0.745 163 L CB -0.531 41.197 42.059 -0.551 0.000 0.894 163 L HN -0.144 nan 8.230 nan 0.000 0.432 164 V N 0.164 120.146 119.914 0.113 0.000 2.358 164 V HA -0.239 4.443 4.120 0.937 0.000 0.246 164 V C 2.785 179.217 176.094 0.564 0.000 1.047 164 V CA 1.612 64.102 62.300 0.317 0.000 1.035 164 V CB -1.419 30.563 31.823 0.265 0.000 0.658 164 V HN 0.607 nan 8.190 nan 0.000 0.452 165 A N -0.263 122.899 122.820 0.570 0.000 1.873 165 A HA -0.083 4.799 4.320 0.937 0.000 0.215 165 A C 2.178 180.077 177.584 0.524 0.000 1.186 165 A CA 1.506 53.881 52.037 0.564 0.000 0.616 165 A CB -0.531 18.641 19.000 0.285 0.000 0.823 165 A HN 0.485 nan 8.150 nan 0.000 0.442 166 L N -0.170 121.229 121.223 0.293 0.000 2.275 166 L HA -0.111 4.791 4.340 0.937 0.000 0.215 166 L C 2.528 179.423 176.870 0.042 0.000 1.119 166 L CA 1.050 56.002 54.840 0.188 0.000 0.790 166 L CB -0.263 41.886 42.059 0.150 0.000 0.919 166 L HN 0.285 nan 8.230 nan 0.000 0.443 167 S N 0.053 115.739 115.700 -0.023 0.000 2.474 167 S HA -0.083 4.950 4.470 0.937 0.000 0.235 167 S C 1.982 176.136 174.600 -0.744 0.000 0.997 167 S CA 0.931 58.921 58.200 -0.350 0.000 0.949 167 S CB -0.288 62.849 63.200 -0.106 0.000 0.766 167 S HN 0.617 nan 8.310 nan 0.000 0.517 168 G N 1.138 109.734 108.800 -0.341 0.000 2.535 168 G HA2 -0.027 4.495 3.960 0.937 0.000 0.218 168 G HA3 -0.027 4.495 3.960 0.937 0.000 0.218 168 G C 1.257 175.813 174.900 -0.573 0.000 1.122 168 G CA 0.620 45.340 45.100 -0.633 0.000 0.769 168 G HN 0.552 nan 8.290 nan 0.000 0.549 169 G N -0.546 108.088 108.800 -0.277 0.000 2.535 169 G HA2 -0.128 4.394 3.960 0.937 0.000 0.218 169 G HA3 -0.128 4.394 3.960 0.937 0.000 0.218 169 G C 1.075 175.900 174.900 -0.125 0.000 1.122 169 G CA 0.270 45.339 45.100 -0.052 0.000 0.769 169 G HN 0.683 nan 8.290 nan 0.000 0.549 170 H N -0.713 117.996 119.070 -0.602 0.000 2.592 170 H HA 0.134 5.250 4.556 0.933 0.000 0.291 170 H C 2.004 177.176 175.328 -0.260 0.000 1.052 170 H CA 0.191 55.882 56.048 -0.595 0.000 1.175 170 H CB 0.551 29.907 29.762 -0.675 0.000 1.378 170 H HN 0.250 nan 8.280 nan 0.000 0.576 171 T N 0.718 115.105 114.554 -0.278 0.000 3.118 171 T HA -0.020 4.892 4.350 0.937 0.000 0.260 171 T C -0.132 174.590 174.700 0.036 0.000 1.139 171 T CA 0.221 62.176 62.100 -0.242 0.000 1.085 171 T CB -0.062 68.401 68.868 -0.676 0.000 0.934 171 T HN 0.334 nan 8.240 nan 0.000 0.518 172 F N -1.574 118.348 119.950 -0.047 0.000 2.923 172 F HA 0.717 5.806 4.527 0.936 0.000 0.323 172 F C 0.066 175.937 175.800 0.119 0.000 1.189 172 F CA -1.801 56.236 58.000 0.060 0.000 0.930 172 F CB 0.748 39.791 39.000 0.073 0.000 1.414 172 F HN 0.127 nan 8.300 nan 0.000 0.496 173 G N 1.302 110.160 108.800 0.096 0.000 2.712 173 G HA2 0.199 4.721 3.960 0.937 0.000 0.683 173 G HA3 0.199 4.721 3.960 0.937 0.000 0.683 173 G C -1.645 173.408 174.900 0.254 0.000 1.320 173 G CA -0.724 44.388 45.100 0.019 0.000 0.847 173 G HN 0.782 nan 8.290 nan 0.000 0.553 174 K N 0.008 120.537 120.400 0.216 0.000 2.281 174 K HA 0.705 5.587 4.320 0.937 0.000 0.242 174 K C -0.195 176.500 176.600 0.158 0.000 0.971 174 K CA -0.989 55.387 56.287 0.149 0.000 0.834 174 K CB 2.122 34.660 32.500 0.064 0.000 1.181 174 K HN 0.829 nan 8.250 nan 0.000 0.435 175 N N 0.460 119.104 118.700 -0.093 0.000 2.287 175 N HA 0.102 5.404 4.740 0.937 0.000 0.289 175 N C -1.471 174.019 175.510 -0.033 0.000 1.066 175 N CA -0.382 52.598 53.050 -0.117 0.000 0.841 175 N CB 1.524 39.594 38.487 -0.696 0.000 1.599 175 N HN 0.305 nan 8.380 nan 0.000 0.476 176 Q N 1.710 121.572 119.800 0.104 0.000 2.327 176 Q HA 0.199 5.101 4.340 0.937 0.000 0.254 176 Q C 0.652 176.574 176.000 -0.130 0.000 0.952 176 Q CA -0.532 55.246 55.803 -0.040 0.000 0.884 176 Q CB 1.022 29.681 28.738 -0.130 0.000 1.224 176 Q HN 0.744 nan 8.270 nan 0.000 0.422 177 c N 1.454 119.977 118.600 -0.129 0.000 2.396 177 c HA -0.210 4.922 4.570 0.937 0.000 0.277 177 c C 2.554 176.548 174.090 -0.161 0.000 1.231 177 c CA 0.924 57.186 56.329 -0.112 0.000 1.775 177 c CB -0.934 41.532 42.510 -0.073 0.000 2.036 177 c HN 0.962 nan 8.230 nan 0.000 0.484 178 R N 0.276 120.586 120.500 -0.318 0.000 2.134 178 R HA -0.217 4.685 4.340 0.937 0.000 0.248 178 R C 1.507 177.574 176.300 -0.388 0.000 1.143 178 R CA 2.181 58.007 56.100 -0.456 0.000 0.957 178 R CB -0.454 29.360 30.300 -0.810 0.000 0.867 178 R HN 0.506 nan 8.270 nan 0.000 0.441 179 F N 0.346 120.335 119.950 0.064 0.000 2.802 179 F HA 0.094 5.148 4.527 0.878 0.000 0.300 179 F C 1.621 177.471 175.800 0.083 0.000 1.168 179 F CA 0.254 58.311 58.000 0.094 0.000 1.433 179 F CB 0.010 39.062 39.000 0.087 0.000 1.115 179 F HN 0.175 nan 8.300 nan 0.000 0.582 180 I N -5.291 115.353 120.570 0.124 0.000 4.338 180 I HA 0.104 4.836 4.170 0.937 0.000 0.329 180 I C 1.599 177.743 176.117 0.045 0.000 1.378 180 I CA -0.003 61.342 61.300 0.076 0.000 1.170 180 I CB -0.076 37.908 38.000 -0.026 0.000 1.206 180 I HN -0.196 nan 8.210 nan 0.000 0.432 181 M N 2.790 122.432 119.600 0.071 0.000 2.106 181 M HA -0.194 4.848 4.480 0.937 0.000 0.259 181 M C 1.987 178.378 176.300 0.152 0.000 1.068 181 M CA 2.207 57.583 55.300 0.127 0.000 1.100 181 M CB -1.179 31.499 32.600 0.130 0.000 1.351 181 M HN 0.583 nan 8.290 nan 0.000 0.404 182 D N -0.098 120.402 120.400 0.165 0.000 2.117 182 D HA -0.193 5.009 4.640 0.937 0.000 0.197 182 D C 1.932 178.385 176.300 0.255 0.000 0.987 182 D CA 1.293 55.420 54.000 0.212 0.000 0.829 182 D CB -0.739 40.194 40.800 0.222 0.000 0.961 182 D HN 0.385 nan 8.370 nan 0.000 0.460 183 R N 0.106 120.731 120.500 0.207 0.000 2.120 183 R HA 0.036 4.938 4.340 0.937 0.000 0.234 183 R C 2.656 178.876 176.300 -0.133 0.000 1.123 183 R CA 0.835 56.946 56.100 0.017 0.000 0.975 183 R CB -0.281 29.960 30.300 -0.098 0.000 0.866 183 R HN 0.306 nan 8.270 nan 0.000 0.446 184 L N -1.300 119.778 121.223 -0.242 0.000 2.179 184 L HA -0.070 4.832 4.340 0.937 0.000 0.208 184 L C 1.250 177.658 176.870 -0.770 0.000 1.096 184 L CA 1.207 55.679 54.840 -0.612 0.000 0.779 184 L CB -0.070 41.413 42.059 -0.959 0.000 0.922 184 L HN 0.191 nan 8.230 nan 0.000 0.443 185 Y N -2.472 117.849 120.300 0.035 0.000 2.441 185 Y HA 0.244 5.353 4.550 0.932 0.000 0.266 185 Y C 0.461 176.394 175.900 0.055 0.000 1.093 185 Y CA -0.801 57.319 58.100 0.033 0.000 1.246 185 Y CB 0.513 38.983 38.460 0.016 0.000 1.262 185 Y HN 0.056 nan 8.280 nan 0.000 0.518 186 N N 0.226 119.050 118.700 0.207 0.000 2.827 186 N HA 0.084 5.386 4.740 0.937 0.000 0.240 186 N C -1.997 173.622 175.510 0.180 0.000 1.352 186 N CA -0.290 52.858 53.050 0.163 0.000 0.760 186 N CB -0.114 38.446 38.487 0.122 0.000 1.426 186 N HN 0.009 nan 8.380 nan 0.000 0.561 187 F N 2.846 122.816 119.950 0.034 0.000 2.424 187 F HA 0.359 5.443 4.527 0.929 0.000 0.356 187 F C 0.891 176.712 175.800 0.034 0.000 1.110 187 F CA 0.146 58.167 58.000 0.034 0.000 1.161 187 F CB 0.625 39.642 39.000 0.028 0.000 1.115 187 F HN 0.494 nan 8.300 nan 0.000 0.507 188 S N 5.387 120.732 115.700 -0.592 0.000 3.559 188 S HA -0.290 4.742 4.470 0.937 0.000 0.369 188 S C 0.326 174.820 174.600 -0.177 0.000 0.987 188 S CA 0.857 58.785 58.200 -0.452 0.000 1.187 188 S CB -1.676 61.178 63.200 -0.576 0.000 0.914 188 S HN 0.907 nan 8.310 nan 0.000 0.480 189 N N -1.850 116.790 118.700 -0.101 0.000 2.693 189 N HA -0.229 5.073 4.740 0.937 0.000 0.249 189 N C 0.884 176.389 175.510 -0.008 0.000 1.119 189 N CA 1.575 54.601 53.050 -0.041 0.000 0.717 189 N CB -1.854 36.603 38.487 -0.051 0.000 1.071 189 N HN 0.979 nan 8.380 nan 0.000 0.555 190 T N -4.462 110.104 114.554 0.019 0.000 3.057 190 T HA 0.322 5.234 4.350 0.937 0.000 0.254 190 T C 1.543 176.276 174.700 0.054 0.000 1.094 190 T CA 1.114 63.241 62.100 0.045 0.000 1.088 190 T CB 0.487 69.406 68.868 0.086 0.000 0.934 190 T HN 0.628 nan 8.240 nan 0.000 0.497 191 G N 1.104 109.941 108.800 0.062 0.000 2.162 191 G HA2 -0.193 4.330 3.960 0.937 0.000 0.260 191 G HA3 -0.193 4.330 3.960 0.937 0.000 0.260 191 G C -0.139 174.811 174.900 0.083 0.000 0.976 191 G CA 0.421 45.560 45.100 0.065 0.000 0.655 191 G HN 0.631 nan 8.290 nan 0.000 0.533 192 L N 0.573 121.856 121.223 0.099 0.000 2.327 192 L HA 0.614 5.516 4.340 0.937 0.000 0.258 192 L C -2.006 174.930 176.870 0.110 0.000 1.024 192 L CA -2.679 52.218 54.840 0.093 0.000 0.825 192 L CB 2.535 44.641 42.059 0.077 0.000 1.386 192 L HN -0.125 nan 8.230 nan 0.000 0.417 193 P HA 0.008 nan 4.420 nan 0.000 0.274 193 P C -1.169 176.118 177.300 -0.020 0.000 1.246 193 P CA -0.305 62.791 63.100 -0.007 0.000 0.795 193 P CB 0.628 32.277 31.700 -0.084 0.000 1.006 194 D N 1.865 122.154 120.400 -0.185 0.000 2.434 194 D HA 0.002 5.204 4.640 0.937 0.000 0.252 194 D C -1.104 175.050 176.300 -0.243 0.000 1.185 194 D CA -1.808 51.898 54.000 -0.490 0.000 0.886 194 D CB 0.278 40.479 40.800 -0.998 0.000 1.148 194 D HN 0.201 nan 8.370 nan 0.000 0.483 195 P HA -0.086 nan 4.420 nan 0.000 0.234 195 P C 0.777 178.037 177.300 -0.067 0.000 1.167 195 P CA 0.744 63.806 63.100 -0.063 0.000 0.763 195 P CB -0.042 31.653 31.700 -0.008 0.000 0.835 196 T N -3.415 111.072 114.554 -0.112 0.000 3.144 196 T HA 0.182 5.094 4.350 0.937 0.000 0.249 196 T C 0.487 175.153 174.700 -0.056 0.000 1.089 196 T CA -0.399 61.664 62.100 -0.060 0.000 0.989 196 T CB -0.508 68.332 68.868 -0.047 0.000 0.992 196 T HN -0.084 nan 8.240 nan 0.000 0.540 197 L N 3.063 124.233 121.223 -0.090 0.000 2.272 197 L HA 0.447 5.349 4.340 0.937 0.000 0.289 197 L C -0.047 176.813 176.870 -0.015 0.000 1.032 197 L CA -0.928 53.879 54.840 -0.055 0.000 0.810 197 L CB 0.822 42.810 42.059 -0.118 0.000 1.205 197 L HN 0.153 nan 8.230 nan 0.000 0.422 198 N N 2.531 121.252 118.700 0.035 0.000 2.294 198 N HA -0.142 5.160 4.740 0.937 0.000 0.263 198 N C 0.960 176.493 175.510 0.037 0.000 1.281 198 N CA 0.953 54.026 53.050 0.038 0.000 0.846 198 N CB 1.044 39.559 38.487 0.047 0.000 1.061 198 N HN 0.900 nan 8.380 nan 0.000 0.478 199 T N 0.113 114.674 114.554 0.012 0.000 2.788 199 T HA -0.205 4.707 4.350 0.937 0.000 0.268 199 T C 1.878 176.587 174.700 0.015 0.000 1.044 199 T CA 2.021 64.122 62.100 0.002 0.000 1.139 199 T CB -0.683 68.183 68.868 -0.002 0.000 0.867 199 T HN 0.677 nan 8.240 nan 0.000 0.454 200 T N -1.168 113.408 114.554 0.035 0.000 2.812 200 T HA -0.096 4.816 4.350 0.937 0.000 0.264 200 T C 1.827 176.587 174.700 0.099 0.000 1.042 200 T CA 0.832 62.960 62.100 0.046 0.000 1.140 200 T CB -0.880 68.008 68.868 0.034 0.000 0.870 200 T HN 0.348 nan 8.240 nan 0.000 0.445 201 Y N 1.906 122.176 120.300 -0.051 0.000 2.352 201 Y HA 0.198 5.310 4.550 0.938 0.000 0.292 201 Y C 2.079 177.938 175.900 -0.068 0.000 1.136 201 Y CA 0.006 58.071 58.100 -0.059 0.000 1.227 201 Y CB -0.711 37.708 38.460 -0.068 0.000 0.991 201 Y HN 0.263 nan 8.280 nan 0.000 0.545 202 L N 0.365 121.558 121.223 -0.049 0.000 2.017 202 L HA -0.238 4.664 4.340 0.937 0.000 0.208 202 L C 2.117 178.898 176.870 -0.148 0.000 1.073 202 L CA 1.934 56.675 54.840 -0.164 0.000 0.745 202 L CB -0.835 41.155 42.059 -0.115 0.000 0.894 202 L HN 0.119 nan 8.230 nan 0.000 0.432 203 Q N -0.527 119.233 119.800 -0.066 0.000 2.096 203 Q HA -0.165 4.737 4.340 0.937 0.000 0.204 203 Q C 2.215 178.188 176.000 -0.046 0.000 0.982 203 Q CA 2.268 58.047 55.803 -0.040 0.000 0.850 203 Q CB -1.284 27.451 28.738 -0.006 0.000 0.901 203 Q HN 0.564 nan 8.270 nan 0.000 0.422 204 T N 2.066 116.597 114.554 -0.037 0.000 2.684 204 T HA -0.084 4.828 4.350 0.937 0.000 0.267 204 T C 2.087 176.721 174.700 -0.110 0.000 1.036 204 T CA 0.996 63.078 62.100 -0.029 0.000 1.148 204 T CB -0.300 68.609 68.868 0.067 0.000 0.863 204 T HN 0.159 nan 8.240 nan 0.000 0.436 205 L N 0.287 121.358 121.223 -0.255 0.000 2.083 205 L HA -0.075 4.827 4.340 0.937 0.000 0.209 205 L C 2.884 179.654 176.870 -0.166 0.000 1.083 205 L CA 1.339 56.004 54.840 -0.292 0.000 0.752 205 L CB -0.482 41.295 42.059 -0.470 0.000 0.899 205 L HN 0.166 nan 8.230 nan 0.000 0.433 206 R N -0.212 120.203 120.500 -0.141 0.000 2.152 206 R HA -0.106 4.796 4.340 0.937 0.000 0.232 206 R C 2.309 178.638 176.300 0.048 0.000 1.117 206 R CA 1.130 57.217 56.100 -0.022 0.000 0.981 206 R CB -0.498 29.799 30.300 -0.005 0.000 0.870 206 R HN 0.432 nan 8.270 nan 0.000 0.451 207 G N 0.435 109.236 108.800 0.002 0.000 2.430 207 G HA2 -0.149 4.373 3.960 0.937 0.000 0.216 207 G HA3 -0.149 4.373 3.960 0.937 0.000 0.216 207 G C 1.363 176.265 174.900 0.003 0.000 1.146 207 G CA 0.132 45.238 45.100 0.011 0.000 0.793 207 G HN 0.126 nan 8.290 nan 0.000 0.537 208 L N -0.249 120.963 121.223 -0.018 0.000 2.179 208 L HA 0.129 5.031 4.340 0.937 0.000 0.208 208 L C 0.542 177.404 176.870 -0.014 0.000 1.096 208 L CA 0.236 55.062 54.840 -0.023 0.000 0.779 208 L CB 0.161 42.193 42.059 -0.046 0.000 0.922 208 L HN 0.132 nan 8.230 nan 0.000 0.443 209 c N 0.929 119.531 118.600 0.002 0.000 3.169 209 c HA 0.351 5.483 4.570 0.937 0.000 0.232 209 c C -2.071 172.103 174.090 0.140 0.000 1.316 209 c CA -1.599 54.752 56.329 0.038 0.000 1.545 209 c CB -0.210 42.307 42.510 0.011 0.000 1.785 209 c HN 0.110 nan 8.230 nan 0.000 0.454 210 P HA 0.135 nan 4.420 nan 0.000 0.272 210 P C -0.179 177.087 177.300 -0.056 0.000 1.230 210 P CA 0.014 63.155 63.100 0.067 0.000 0.788 210 P CB 1.097 32.800 31.700 0.005 0.000 0.949 211 L N 2.794 123.808 121.223 -0.347 0.000 2.525 211 L HA -0.042 4.860 4.340 0.937 0.000 0.278 211 L C 1.118 177.863 176.870 -0.209 0.000 1.218 211 L CA 0.614 55.169 54.840 -0.474 0.000 0.878 211 L CB -0.566 41.076 42.059 -0.695 0.000 1.127 211 L HN 0.551 nan 8.230 nan 0.000 0.492 212 N N 1.000 119.615 118.700 -0.143 0.000 2.800 212 N HA -0.149 5.153 4.740 0.937 0.000 0.250 212 N C 0.190 175.663 175.510 -0.062 0.000 1.078 212 N CA 0.920 53.917 53.050 -0.088 0.000 0.804 212 N CB -1.407 37.027 38.487 -0.088 0.000 1.135 212 N HN 0.840 nan 8.380 nan 0.000 0.565 213 G N 0.362 109.130 108.800 -0.053 0.000 2.531 213 G HA2 0.248 4.770 3.960 0.937 0.000 0.281 213 G HA3 0.248 4.770 3.960 0.937 0.000 0.281 213 G C 0.070 174.951 174.900 -0.031 0.000 1.382 213 G CA -0.408 44.671 45.100 -0.035 0.000 1.045 213 G HN 0.334 nan 8.290 nan 0.000 0.533 214 N N 0.142 118.826 118.700 -0.026 0.000 2.400 214 N HA 0.036 5.338 4.740 0.937 0.000 0.267 214 N C 1.433 176.919 175.510 -0.040 0.000 1.208 214 N CA -0.434 52.599 53.050 -0.028 0.000 0.951 214 N CB 0.165 38.639 38.487 -0.022 0.000 1.227 214 N HN 0.333 nan 8.380 nan 0.000 0.488 215 L N 2.246 123.438 121.223 -0.052 0.000 2.362 215 L HA -0.097 4.805 4.340 0.937 0.000 0.219 215 L C 1.744 178.546 176.870 -0.112 0.000 1.134 215 L CA 0.654 55.441 54.840 -0.087 0.000 0.807 215 L CB -0.118 41.882 42.059 -0.098 0.000 0.927 215 L HN 0.533 nan 8.230 nan 0.000 0.447 216 S N -0.317 115.341 115.700 -0.071 0.000 2.575 216 S HA 0.241 5.273 4.470 0.937 0.000 0.215 216 S C 1.027 175.604 174.600 -0.037 0.000 0.966 216 S CA -0.088 58.079 58.200 -0.055 0.000 0.911 216 S CB -0.024 63.163 63.200 -0.022 0.000 0.780 216 S HN 0.363 nan 8.310 nan 0.000 0.514 217 A N 1.511 124.307 122.820 -0.041 0.000 2.483 217 A HA 0.439 5.321 4.320 0.937 0.000 0.238 217 A C -0.051 177.512 177.584 -0.034 0.000 1.070 217 A CA 0.118 52.138 52.037 -0.029 0.000 0.770 217 A CB 0.042 19.025 19.000 -0.029 0.000 1.008 217 A HN 0.461 nan 8.150 nan 0.000 0.497 218 L N 2.036 123.246 121.223 -0.022 0.000 2.325 218 L HA 0.653 5.555 4.340 0.937 0.000 0.278 218 L C -0.105 176.743 176.870 -0.036 0.000 1.023 218 L CA -0.863 53.964 54.840 -0.023 0.000 0.811 218 L CB 1.667 43.726 42.059 -0.000 0.000 1.249 218 L HN 0.652 nan 8.230 nan 0.000 0.431 219 V N -2.114 117.760 119.914 -0.067 0.000 2.823 219 V HA 0.530 5.212 4.120 0.937 0.000 0.312 219 V C -0.765 175.275 176.094 -0.089 0.000 1.072 219 V CA -0.966 61.288 62.300 -0.076 0.000 0.937 219 V CB 2.117 33.872 31.823 -0.113 0.000 1.013 219 V HN 0.559 nan 8.190 nan 0.000 0.430 220 D N 2.024 122.410 120.400 -0.023 0.000 2.389 220 D HA 0.260 5.462 4.640 0.937 0.000 0.247 220 D C 0.485 176.797 176.300 0.020 0.000 1.128 220 D CA 0.219 54.240 54.000 0.036 0.000 0.884 220 D CB 1.510 42.360 40.800 0.084 0.000 1.194 220 D HN 0.607 nan 8.370 nan 0.000 0.441 221 F N 0.476 120.463 119.950 0.062 0.000 2.186 221 F HA -0.145 4.935 4.527 0.923 0.000 0.299 221 F C 1.370 177.239 175.800 0.115 0.000 1.090 221 F CA 0.951 58.993 58.000 0.070 0.000 1.307 221 F CB 0.240 39.269 39.000 0.048 0.000 1.019 221 F HN 0.204 nan 8.300 nan 0.000 0.489 222 D N 0.104 120.676 120.400 0.286 0.000 2.414 222 D HA 0.151 5.353 4.640 0.937 0.000 0.232 222 D C 0.888 177.239 176.300 0.084 0.000 1.070 222 D CA -0.270 53.827 54.000 0.162 0.000 0.839 222 D CB 1.019 41.903 40.800 0.140 0.000 1.079 222 D HN 0.229 nan 8.370 nan 0.000 0.521 223 L N 2.106 123.337 121.223 0.014 0.000 2.376 223 L HA 0.157 5.059 4.340 0.937 0.000 0.219 223 L C 1.799 178.647 176.870 -0.037 0.000 1.133 223 L CA 0.347 55.178 54.840 -0.016 0.000 0.816 223 L CB 0.077 42.049 42.059 -0.145 0.000 0.933 223 L HN 0.138 nan 8.230 nan 0.000 0.449 224 R N 0.911 121.381 120.500 -0.051 0.000 2.051 224 R HA 0.055 4.957 4.340 0.937 0.000 0.225 224 R C 0.398 176.695 176.300 -0.004 0.000 1.155 224 R CA 1.552 57.626 56.100 -0.043 0.000 0.945 224 R CB -0.222 30.039 30.300 -0.064 0.000 0.840 224 R HN 0.528 nan 8.270 nan 0.000 0.432 225 T N -1.543 113.020 114.554 0.014 0.000 3.241 225 T HA 0.305 5.217 4.350 0.937 0.000 0.387 225 T C -2.467 172.282 174.700 0.082 0.000 1.451 225 T CA -1.867 60.258 62.100 0.042 0.000 1.363 225 T CB 1.664 70.553 68.868 0.035 0.000 1.074 225 T HN -0.145 nan 8.240 nan 0.000 0.598 226 P HA -0.170 nan 4.420 nan 0.000 0.218 226 P C 1.512 178.927 177.300 0.192 0.000 1.150 226 P CA 1.562 64.743 63.100 0.135 0.000 0.841 226 P CB 0.074 31.834 31.700 0.099 0.000 0.784 227 T N -6.079 108.584 114.554 0.182 0.000 3.043 227 T HA 0.281 5.193 4.350 0.937 0.000 0.272 227 T C 0.447 175.323 174.700 0.292 0.000 0.990 227 T CA -0.220 62.028 62.100 0.247 0.000 0.897 227 T CB -0.391 68.573 68.868 0.160 0.000 1.111 227 T HN -0.095 nan 8.240 nan 0.000 0.529 228 I N 1.946 122.632 120.570 0.193 0.000 2.353 228 I HA 0.413 5.145 4.170 0.937 0.000 0.293 228 I C -0.630 175.510 176.117 0.037 0.000 0.992 228 I CA -1.250 60.134 61.300 0.141 0.000 1.268 228 I CB 1.282 39.342 38.000 0.100 0.000 1.387 228 I HN 0.099 nan 8.210 nan 0.000 0.478 229 F N 7.674 127.540 119.950 -0.141 0.000 2.439 229 F HA 0.191 5.280 4.527 0.935 0.000 0.356 229 F C -0.020 175.780 175.800 0.001 0.000 1.161 229 F CA -0.053 57.748 58.000 -0.332 0.000 1.151 229 F CB -0.238 38.435 39.000 -0.545 0.000 1.222 229 F HN 0.564 nan 8.300 nan 0.000 0.558 230 D N 2.456 122.762 120.400 -0.157 0.000 2.825 230 D HA 0.139 5.341 4.640 0.937 0.000 0.327 230 D C -0.215 176.120 176.300 0.058 0.000 1.277 230 D CA -0.732 53.362 54.000 0.156 0.000 0.950 230 D CB 0.132 40.986 40.800 0.090 0.000 1.438 230 D HN 0.233 nan 8.370 nan 0.000 0.526 231 N N -0.393 118.354 118.700 0.078 0.000 2.314 231 N HA -0.054 5.248 4.740 0.937 0.000 0.200 231 N C 0.459 175.947 175.510 -0.036 0.000 1.135 231 N CA -0.063 52.955 53.050 -0.052 0.000 0.835 231 N CB 0.034 38.533 38.487 0.020 0.000 0.989 231 N HN 0.189 nan 8.380 nan 0.000 0.478 232 K N 0.354 120.714 120.400 -0.066 0.000 2.280 232 K HA -0.162 4.720 4.320 0.937 0.000 0.202 232 K C 1.374 177.902 176.600 -0.120 0.000 1.047 232 K CA 0.565 56.806 56.287 -0.076 0.000 0.942 232 K CB -0.872 31.590 32.500 -0.063 0.000 0.739 232 K HN 0.404 nan 8.250 nan 0.000 0.457 233 Y N 0.999 121.098 120.300 -0.334 0.000 2.151 233 Y HA -0.332 4.777 4.550 0.932 0.000 0.284 233 Y C 1.793 177.400 175.900 -0.489 0.000 1.166 233 Y CA 1.662 59.494 58.100 -0.447 0.000 1.163 233 Y CB -0.415 37.630 38.460 -0.692 0.000 0.974 233 Y HN 0.008 nan 8.280 nan 0.000 0.511 234 Y N -1.227 118.939 120.300 -0.223 0.000 2.263 234 Y HA -0.132 4.981 4.550 0.939 0.000 0.292 234 Y C 2.535 178.240 175.900 -0.326 0.000 1.130 234 Y CA 1.303 59.229 58.100 -0.290 0.000 1.179 234 Y CB -0.865 37.511 38.460 -0.141 0.000 0.998 234 Y HN -0.036 nan 8.280 nan 0.000 0.532 235 V N 0.627 120.466 119.914 -0.125 0.000 2.407 235 V HA -0.297 4.385 4.120 0.937 0.000 0.248 235 V C 1.844 177.781 176.094 -0.263 0.000 1.055 235 V CA 1.873 64.070 62.300 -0.171 0.000 1.049 235 V CB -0.568 31.180 31.823 -0.124 0.000 0.662 235 V HN 0.475 nan 8.190 nan 0.000 0.455 236 N N 0.603 119.121 118.700 -0.304 0.000 2.084 236 N HA -0.108 5.194 4.740 0.937 0.000 0.190 236 N C 1.831 177.111 175.510 -0.384 0.000 1.030 236 N CA 1.426 54.273 53.050 -0.338 0.000 0.849 236 N CB -0.542 37.738 38.487 -0.345 0.000 1.012 236 N HN 0.392 nan 8.380 nan 0.000 0.423 237 L N 1.328 122.262 121.223 -0.482 0.000 2.079 237 L HA -0.153 4.749 4.340 0.937 0.000 0.210 237 L C 1.950 178.381 176.870 -0.731 0.000 1.081 237 L CA 1.294 55.837 54.840 -0.494 0.000 0.752 237 L CB -0.562 41.208 42.059 -0.481 0.000 0.896 237 L HN 0.227 nan 8.230 nan 0.000 0.433 238 E N 0.224 119.915 120.200 -0.849 0.000 2.265 238 E HA -0.179 4.733 4.350 0.937 0.000 0.196 238 E C 1.209 177.512 176.600 -0.495 0.000 0.996 238 E CA 0.812 56.577 56.400 -1.059 0.000 0.832 238 E CB 0.021 29.362 29.700 -0.598 0.000 0.756 238 E HN 0.592 nan 8.360 nan 0.000 0.491 239 E N 0.395 120.390 120.200 -0.342 0.000 2.465 239 E HA 0.012 4.924 4.350 0.937 0.000 0.195 239 E C -0.349 176.168 176.600 -0.139 0.000 1.028 239 E CA -0.107 56.177 56.400 -0.193 0.000 0.899 239 E CB 0.581 30.169 29.700 -0.187 0.000 1.032 239 E HN 0.051 nan 8.360 nan 0.000 0.468 240 Q N -0.268 119.446 119.800 -0.143 0.000 2.494 240 Q HA -0.210 4.692 4.340 0.937 0.000 0.272 240 Q C -0.054 175.920 176.000 -0.042 0.000 1.145 240 Q CA 0.964 56.737 55.803 -0.051 0.000 0.943 240 Q CB -2.153 26.587 28.738 0.003 0.000 1.338 240 Q HN 0.356 nan 8.270 nan 0.000 0.492 241 K N -0.285 120.041 120.400 -0.124 0.000 2.514 241 K HA 0.290 5.172 4.320 0.937 0.000 0.207 241 K C 0.891 177.465 176.600 -0.044 0.000 1.035 241 K CA 0.367 56.585 56.287 -0.115 0.000 1.113 241 K CB 0.873 33.108 32.500 -0.442 0.000 0.846 241 K HN 0.275 nan 8.250 nan 0.000 0.491 242 G N 0.964 109.728 108.800 -0.060 0.000 2.441 242 G HA2 0.031 4.553 3.960 0.937 0.000 0.243 242 G HA3 0.031 4.553 3.960 0.937 0.000 0.243 242 G C 0.684 175.650 174.900 0.109 0.000 1.281 242 G CA -0.431 44.643 45.100 -0.044 0.000 0.854 242 G HN 0.120 nan 8.290 nan 0.000 0.560 243 L N 3.016 124.332 121.223 0.156 0.000 2.007 243 L HA 0.222 5.124 4.340 0.937 0.000 0.205 243 L C 1.584 178.474 176.870 0.033 0.000 1.073 243 L CA 1.282 56.173 54.840 0.084 0.000 0.744 243 L CB -0.518 41.513 42.059 -0.045 0.000 0.898 243 L HN 0.653 nan 8.230 nan 0.000 0.435 244 I N -3.223 117.416 120.570 0.115 0.000 2.783 244 I HA 0.213 4.945 4.170 0.937 0.000 0.312 244 I C 1.283 177.496 176.117 0.160 0.000 0.988 244 I CA -0.577 60.804 61.300 0.136 0.000 1.182 244 I CB 0.961 39.077 38.000 0.192 0.000 1.368 244 I HN 0.323 nan 8.210 nan 0.000 0.511 245 Q N 2.256 122.162 119.800 0.176 0.000 2.077 245 Q HA -0.229 4.673 4.340 0.937 0.000 0.206 245 Q C 1.974 178.095 176.000 0.202 0.000 0.989 245 Q CA 3.253 59.171 55.803 0.192 0.000 0.853 245 Q CB -0.076 28.861 28.738 0.331 0.000 0.907 245 Q HN 0.957 nan 8.270 nan 0.000 0.418 246 S N -0.113 115.718 115.700 0.219 0.000 2.442 246 S HA -0.153 4.879 4.470 0.937 0.000 0.236 246 S C 1.205 175.938 174.600 0.221 0.000 1.007 246 S CA 1.196 59.525 58.200 0.214 0.000 0.965 246 S CB -0.155 63.160 63.200 0.192 0.000 0.773 246 S HN 0.398 nan 8.310 nan 0.000 0.504 247 D N 1.466 122.021 120.400 0.258 0.000 2.106 247 D HA -0.034 5.168 4.640 0.937 0.000 0.203 247 D C 2.128 178.510 176.300 0.137 0.000 0.977 247 D CA 1.215 55.378 54.000 0.272 0.000 0.844 247 D CB -0.589 40.398 40.800 0.312 0.000 1.002 247 D HN 0.363 nan 8.370 nan 0.000 0.461 248 Q N 0.877 120.739 119.800 0.103 0.000 2.226 248 Q HA -0.113 4.789 4.340 0.937 0.000 0.204 248 Q C 1.704 177.779 176.000 0.125 0.000 0.975 248 Q CA 1.026 56.877 55.803 0.080 0.000 0.866 248 Q CB -0.038 28.729 28.738 0.047 0.000 0.915 248 Q HN 0.217 nan 8.270 nan 0.000 0.440 249 E N -0.098 120.180 120.200 0.131 0.000 2.153 249 E HA -0.161 4.751 4.350 0.937 0.000 0.194 249 E C 1.889 178.560 176.600 0.118 0.000 0.988 249 E CA 0.906 57.381 56.400 0.125 0.000 0.811 249 E CB -0.178 29.608 29.700 0.143 0.000 0.746 249 E HN 0.453 nan 8.360 nan 0.000 0.466 250 L N -0.539 120.767 121.223 0.138 0.000 2.187 250 L HA -0.174 4.728 4.340 0.937 0.000 0.213 250 L C 2.236 179.211 176.870 0.175 0.000 1.100 250 L CA 1.107 56.032 54.840 0.142 0.000 0.765 250 L CB -0.289 41.878 42.059 0.180 0.000 0.904 250 L HN 0.074 nan 8.230 nan 0.000 0.437 251 F N -1.356 118.599 119.950 0.008 0.000 2.680 251 F HA 0.092 5.180 4.527 0.934 0.000 0.290 251 F C 2.148 177.941 175.800 -0.011 0.000 1.114 251 F CA 0.363 58.356 58.000 -0.011 0.000 1.333 251 F CB 0.402 39.384 39.000 -0.030 0.000 1.091 251 F HN -0.190 nan 8.300 nan 0.000 0.606 252 S N -0.903 114.839 115.700 0.070 0.000 2.512 252 S HA 0.106 5.138 4.470 0.937 0.000 0.216 252 S C 0.707 175.297 174.600 -0.017 0.000 1.006 252 S CA 0.122 58.316 58.200 -0.011 0.000 0.915 252 S CB -0.080 63.166 63.200 0.077 0.000 0.824 252 S HN 0.234 nan 8.310 nan 0.000 0.497 253 S N 2.524 118.230 115.700 0.009 0.000 2.572 253 S HA 0.154 5.186 4.470 0.937 0.000 0.279 253 S C -1.933 172.660 174.600 -0.012 0.000 1.341 253 S CA -1.116 57.097 58.200 0.022 0.000 1.043 253 S CB 0.725 63.952 63.200 0.045 0.000 0.887 253 S HN -0.015 nan 8.310 nan 0.000 0.516 254 P HA -0.004 nan 4.420 nan 0.000 0.226 254 P C 0.657 177.947 177.300 -0.017 0.000 1.153 254 P CA 0.727 63.819 63.100 -0.012 0.000 0.777 254 P CB -0.042 31.660 31.700 0.004 0.000 0.794 255 N N -0.407 118.290 118.700 -0.006 0.000 2.268 255 N HA 0.092 5.394 4.740 0.937 0.000 0.204 255 N C 0.655 176.156 175.510 -0.015 0.000 1.124 255 N CA -0.071 52.975 53.050 -0.007 0.000 0.838 255 N CB 0.154 38.645 38.487 0.007 0.000 0.994 255 N HN -0.067 nan 8.380 nan 0.000 0.489 256 A N -0.116 122.684 122.820 -0.032 0.000 2.359 256 A HA 0.129 5.011 4.320 0.937 0.000 0.240 256 A C 1.612 179.154 177.584 -0.070 0.000 1.306 256 A CA -0.006 52.004 52.037 -0.046 0.000 0.898 256 A CB -0.360 18.603 19.000 -0.062 0.000 0.956 256 A HN 0.198 nan 8.150 nan 0.000 0.497 257 T N 1.300 115.818 114.554 -0.060 0.000 2.759 257 T HA -0.166 4.746 4.350 0.937 0.000 0.269 257 T C 1.687 176.353 174.700 -0.057 0.000 1.042 257 T CA 1.871 63.932 62.100 -0.064 0.000 1.140 257 T CB -0.256 68.584 68.868 -0.048 0.000 0.864 257 T HN 0.872 nan 8.240 nan 0.000 0.455 258 D N 0.973 121.348 120.400 -0.042 0.000 2.271 258 D HA -0.055 5.147 4.640 0.937 0.000 0.206 258 D C 2.080 178.353 176.300 -0.045 0.000 0.967 258 D CA 1.356 55.333 54.000 -0.038 0.000 0.867 258 D CB -0.812 39.974 40.800 -0.023 0.000 0.960 258 D HN 0.532 nan 8.370 nan 0.000 0.509 259 T N -1.275 113.257 114.554 -0.037 0.000 3.035 259 T HA 0.138 5.050 4.350 0.937 0.000 0.259 259 T C 2.350 177.035 174.700 -0.025 0.000 1.078 259 T CA 0.007 62.091 62.100 -0.026 0.000 1.132 259 T CB -0.499 68.377 68.868 0.013 0.000 0.900 259 T HN 0.084 nan 8.240 nan 0.000 0.480 260 I N 2.704 123.247 120.570 -0.044 0.000 2.118 260 I HA -0.101 4.631 4.170 0.937 0.000 0.241 260 I C -0.220 175.888 176.117 -0.015 0.000 1.070 260 I CA 1.467 62.745 61.300 -0.036 0.000 1.327 260 I CB -1.034 36.848 38.000 -0.196 0.000 1.034 260 I HN 0.243 nan 8.210 nan 0.000 0.405 261 P HA -0.153 nan 4.420 nan 0.000 0.218 261 P C 1.927 179.113 177.300 -0.189 0.000 1.149 261 P CA 1.549 64.594 63.100 -0.092 0.000 0.817 261 P CB -0.014 31.636 31.700 -0.084 0.000 0.785 262 L N -0.851 120.215 121.223 -0.262 0.000 2.072 262 L HA -0.101 4.801 4.340 0.937 0.000 0.205 262 L C 2.759 179.174 176.870 -0.758 0.000 1.079 262 L CA 1.043 55.526 54.840 -0.593 0.000 0.752 262 L CB -1.030 40.736 42.059 -0.489 0.000 0.906 262 L HN -0.182 nan 8.230 nan 0.000 0.436 263 V N -0.000 119.739 119.914 -0.291 0.000 2.287 263 V HA -0.307 4.375 4.120 0.937 0.000 0.248 263 V C 2.638 178.653 176.094 -0.132 0.000 1.053 263 V CA 1.829 64.076 62.300 -0.089 0.000 1.027 263 V CB -0.616 31.331 31.823 0.207 0.000 0.646 263 V HN 0.416 nan 8.190 nan 0.000 0.447 264 R N -0.313 120.144 120.500 -0.072 0.000 2.081 264 R HA -0.144 4.758 4.340 0.937 0.000 0.235 264 R C 2.673 178.911 176.300 -0.103 0.000 1.131 264 R CA 1.596 57.668 56.100 -0.047 0.000 0.960 264 R CB -0.628 29.679 30.300 0.012 0.000 0.856 264 R HN 0.481 nan 8.270 nan 0.000 0.436 265 S N 0.168 115.752 115.700 -0.193 0.000 2.370 265 S HA -0.124 4.908 4.470 0.937 0.000 0.226 265 S C 1.606 176.211 174.600 0.009 0.000 1.033 265 S CA 1.168 59.287 58.200 -0.135 0.000 1.011 265 S CB -0.125 62.942 63.200 -0.222 0.000 0.852 265 S HN 0.204 nan 8.310 nan 0.000 0.457 266 F N 1.524 121.331 119.950 -0.239 0.000 2.367 266 F HA 0.360 5.448 4.527 0.934 0.000 0.298 266 F C 2.560 178.175 175.800 -0.308 0.000 1.094 266 F CA -0.055 57.713 58.000 -0.386 0.000 1.409 266 F CB -1.434 36.934 39.000 -1.054 0.000 1.064 266 F HN 0.282 nan 8.300 nan 0.000 0.528 267 A N 0.181 122.976 122.820 -0.042 0.000 2.014 267 A HA -0.105 4.777 4.320 0.937 0.000 0.218 267 A C 2.005 179.583 177.584 -0.010 0.000 1.163 267 A CA 1.328 53.370 52.037 0.007 0.000 0.652 267 A CB -0.537 18.456 19.000 -0.012 0.000 0.808 267 A HN 0.258 nan 8.150 nan 0.000 0.449 268 N N -0.441 118.253 118.700 -0.009 0.000 2.376 268 N HA 0.016 5.318 4.740 0.937 0.000 0.177 268 N C 0.273 175.780 175.510 -0.005 0.000 1.024 268 N CA 1.034 54.078 53.050 -0.010 0.000 0.893 268 N CB 0.092 38.574 38.487 -0.009 0.000 0.980 268 N HN 0.322 nan 8.380 nan 0.000 0.439 269 S N -0.927 114.782 115.700 0.016 0.000 2.672 269 S HA 0.312 5.344 4.470 0.937 0.000 0.291 269 S C 0.731 175.320 174.600 -0.019 0.000 1.145 269 S CA -0.578 57.621 58.200 -0.001 0.000 1.013 269 S CB 1.063 64.272 63.200 0.015 0.000 1.017 269 S HN 0.016 nan 8.310 nan 0.000 0.487 270 T N 3.827 118.313 114.554 -0.115 0.000 2.684 270 T HA -0.165 4.747 4.350 0.937 0.000 0.267 270 T C 1.802 176.285 174.700 -0.362 0.000 1.036 270 T CA 1.929 63.847 62.100 -0.304 0.000 1.148 270 T CB -0.364 68.239 68.868 -0.441 0.000 0.863 270 T HN 0.782 nan 8.240 nan 0.000 0.436 271 Q N 0.139 119.813 119.800 -0.209 0.000 2.061 271 Q HA -0.169 4.733 4.340 0.937 0.000 0.204 271 Q C 2.270 178.256 176.000 -0.023 0.000 0.984 271 Q CA 1.912 57.656 55.803 -0.097 0.000 0.846 271 Q CB -0.270 28.444 28.738 -0.041 0.000 0.902 271 Q HN 0.467 nan 8.270 nan 0.000 0.421 272 T N 0.803 115.367 114.554 0.017 0.000 2.708 272 T HA -0.161 4.751 4.350 0.937 0.000 0.266 272 T C 1.293 176.008 174.700 0.024 0.000 1.037 272 T CA 1.319 63.470 62.100 0.085 0.000 1.146 272 T CB -0.481 68.493 68.868 0.176 0.000 0.865 272 T HN 0.364 nan 8.240 nan 0.000 0.435 273 F N 1.863 121.697 119.950 -0.193 0.000 2.075 273 F HA -0.043 5.045 4.527 0.936 0.000 0.297 273 F C 1.804 177.531 175.800 -0.121 0.000 1.113 273 F CA 0.743 58.451 58.000 -0.487 0.000 1.218 273 F CB -0.878 37.962 39.000 -0.268 0.000 0.984 273 F HN 0.047 nan 8.300 nan 0.000 0.472 274 F N 1.426 121.079 119.950 -0.494 0.000 2.120 274 F HA -0.256 4.833 4.527 0.936 0.000 0.300 274 F C 2.416 177.983 175.800 -0.389 0.000 1.095 274 F CA 1.508 59.202 58.000 -0.509 0.000 1.249 274 F CB -1.755 37.095 39.000 -0.250 0.000 0.995 274 F HN 0.096 nan 8.300 nan 0.000 0.480 275 N N 0.228 118.889 118.700 -0.066 0.000 2.120 275 N HA -0.138 5.164 4.740 0.937 0.000 0.188 275 N C 2.038 177.440 175.510 -0.180 0.000 1.024 275 N CA 1.553 54.533 53.050 -0.116 0.000 0.852 275 N CB -0.748 37.710 38.487 -0.047 0.000 1.003 275 N HN 0.245 nan 8.380 nan 0.000 0.424 276 A N -0.001 122.702 122.820 -0.195 0.000 1.969 276 A HA -0.068 4.814 4.320 0.937 0.000 0.218 276 A C 2.063 179.517 177.584 -0.217 0.000 1.169 276 A CA 0.670 52.602 52.037 -0.176 0.000 0.635 276 A CB -0.747 18.120 19.000 -0.221 0.000 0.810 276 A HN 0.282 nan 8.150 nan 0.000 0.445 277 F N 0.327 119.993 119.950 -0.472 0.000 2.163 277 F HA -0.092 4.995 4.527 0.934 0.000 0.297 277 F C 2.206 177.702 175.800 -0.507 0.000 1.094 277 F CA 1.680 59.411 58.000 -0.448 0.000 1.290 277 F CB -0.146 38.446 39.000 -0.679 0.000 1.017 277 F HN 0.025 nan 8.300 nan 0.000 0.483 278 V N 0.338 119.872 119.914 -0.633 0.000 2.295 278 V HA -0.297 4.385 4.120 0.937 0.000 0.246 278 V C 2.366 178.068 176.094 -0.653 0.000 1.049 278 V CA 2.270 63.946 62.300 -1.040 0.000 1.024 278 V CB -0.678 30.517 31.823 -1.047 0.000 0.648 278 V HN 0.390 nan 8.190 nan 0.000 0.447 279 E N 0.136 120.096 120.200 -0.401 0.000 2.058 279 E HA -0.249 4.663 4.350 0.937 0.000 0.194 279 E C 2.225 178.711 176.600 -0.190 0.000 0.997 279 E CA 1.554 57.816 56.400 -0.231 0.000 0.801 279 E CB -0.273 29.346 29.700 -0.135 0.000 0.746 279 E HN 0.562 nan 8.360 nan 0.000 0.450 280 A N 0.629 123.323 122.820 -0.210 0.000 1.930 280 A HA -0.160 4.722 4.320 0.937 0.000 0.217 280 A C 2.159 179.631 177.584 -0.187 0.000 1.175 280 A CA 1.311 53.265 52.037 -0.138 0.000 0.627 280 A CB -0.357 18.591 19.000 -0.087 0.000 0.815 280 A HN 0.278 nan 8.150 nan 0.000 0.443 281 M N -0.012 119.361 119.600 -0.379 0.000 2.117 281 M HA -0.132 4.910 4.480 0.937 0.000 0.262 281 M C 1.303 177.594 176.300 -0.015 0.000 1.065 281 M CA 1.511 56.657 55.300 -0.256 0.000 1.114 281 M CB -1.290 31.092 32.600 -0.364 0.000 1.361 281 M HN 0.342 nan 8.290 nan 0.000 0.408 282 D N -0.523 119.857 120.400 -0.032 0.000 2.178 282 D HA -0.078 5.124 4.640 0.937 0.000 0.202 282 D C 2.169 178.487 176.300 0.029 0.000 0.974 282 D CA 0.866 54.903 54.000 0.061 0.000 0.841 282 D CB -0.167 40.662 40.800 0.049 0.000 0.953 282 D HN 0.329 nan 8.370 nan 0.000 0.478 283 R N 0.004 120.500 120.500 -0.008 0.000 2.075 283 R HA 0.018 4.920 4.340 0.937 0.000 0.232 283 R C 2.343 178.646 176.300 0.005 0.000 1.126 283 R CA 0.824 56.923 56.100 -0.002 0.000 0.963 283 R CB -0.232 30.067 30.300 -0.002 0.000 0.858 283 R HN 0.174 nan 8.270 nan 0.000 0.435 284 M N -0.058 119.553 119.600 0.018 0.000 2.159 284 M HA -0.061 4.981 4.480 0.937 0.000 0.263 284 M C 1.822 178.135 176.300 0.021 0.000 1.063 284 M CA 2.042 57.359 55.300 0.029 0.000 1.110 284 M CB -0.133 32.517 32.600 0.084 0.000 1.374 284 M HN 0.242 nan 8.290 nan 0.000 0.411 285 G N -0.013 108.835 108.800 0.079 0.000 2.559 285 G HA2 -0.205 4.318 3.960 0.937 0.000 0.216 285 G HA3 -0.205 4.318 3.960 0.937 0.000 0.216 285 G C 1.107 176.042 174.900 0.058 0.000 1.126 285 G CA 0.608 45.785 45.100 0.128 0.000 0.778 285 G HN 0.667 nan 8.290 nan 0.000 0.543 286 N N -0.054 118.658 118.700 0.020 0.000 2.270 286 N HA 0.150 5.452 4.740 0.937 0.000 0.198 286 N C 0.039 175.528 175.510 -0.034 0.000 1.117 286 N CA -0.352 52.694 53.050 -0.006 0.000 0.845 286 N CB 0.093 38.577 38.487 -0.006 0.000 0.980 286 N HN 0.163 nan 8.380 nan 0.000 0.486 287 I N 2.240 122.780 120.570 -0.051 0.000 2.505 287 I HA -0.070 4.663 4.170 0.937 0.000 0.287 287 I C 0.648 176.713 176.117 -0.087 0.000 1.104 287 I CA 0.025 61.271 61.300 -0.090 0.000 1.387 287 I CB 0.563 38.479 38.000 -0.141 0.000 1.404 287 I HN 0.212 nan 8.210 nan 0.000 0.528 288 T N 4.471 118.972 114.554 -0.088 0.000 3.213 288 T HA -0.126 4.786 4.350 0.937 0.000 0.427 288 T C -1.946 172.712 174.700 -0.070 0.000 0.772 288 T CA -0.678 61.371 62.100 -0.084 0.000 2.150 288 T CB -1.859 66.942 68.868 -0.112 0.000 1.655 288 T HN 0.479 nan 8.240 nan 0.000 0.584 289 P HA 0.486 nan 4.420 nan 0.000 0.277 289 P C 0.240 177.514 177.300 -0.044 0.000 1.240 289 P CA -0.868 62.205 63.100 -0.046 0.000 0.798 289 P CB 0.975 32.646 31.700 -0.049 0.000 0.979 290 L N 2.093 123.294 121.223 -0.035 0.000 2.292 290 L HA 0.450 5.352 4.340 0.937 0.000 0.284 290 L C 1.166 178.012 176.870 -0.041 0.000 1.065 290 L CA -0.072 54.752 54.840 -0.026 0.000 0.806 290 L CB 1.262 43.316 42.059 -0.008 0.000 1.175 290 L HN 0.554 nan 8.230 nan 0.000 0.431 291 T N -1.111 113.421 114.554 -0.036 0.000 2.804 291 T HA 0.779 5.691 4.350 0.937 0.000 0.290 291 T C 0.505 175.199 174.700 -0.010 0.000 1.099 291 T CA -0.052 62.019 62.100 -0.048 0.000 1.011 291 T CB 1.823 70.655 68.868 -0.059 0.000 1.291 291 T HN 0.858 nan 8.240 nan 0.000 0.523 292 G N 1.273 110.079 108.800 0.011 0.000 2.675 292 G HA2 -0.354 4.169 3.960 0.937 0.000 0.312 292 G HA3 -0.354 4.169 3.960 0.937 0.000 0.312 292 G C 0.981 175.910 174.900 0.048 0.000 1.186 292 G CA 1.861 46.987 45.100 0.043 0.000 0.965 292 G HN 2.086 nan 8.290 nan 0.000 0.548 293 T N -0.974 113.601 114.554 0.034 0.000 3.044 293 T HA 0.480 5.392 4.350 0.937 0.000 0.260 293 T C 0.792 175.508 174.700 0.026 0.000 1.019 293 T CA 0.965 63.086 62.100 0.034 0.000 0.921 293 T CB 0.315 69.201 68.868 0.030 0.000 1.053 293 T HN 0.733 nan 8.240 nan 0.000 0.533 294 Q N 1.549 121.360 119.800 0.019 0.000 2.332 294 Q HA 0.496 5.398 4.340 0.937 0.000 0.263 294 Q C 1.117 177.128 176.000 0.018 0.000 0.979 294 Q CA 0.424 56.236 55.803 0.015 0.000 0.885 294 Q CB 0.731 29.473 28.738 0.006 0.000 1.218 294 Q HN 0.600 nan 8.270 nan 0.000 0.405 295 G N 1.636 110.448 108.800 0.021 0.000 2.645 295 G HA2 -0.287 4.236 3.960 0.937 0.000 0.246 295 G HA3 -0.287 4.236 3.960 0.937 0.000 0.246 295 G C -0.572 174.345 174.900 0.029 0.000 1.322 295 G CA 0.170 45.285 45.100 0.024 0.000 0.898 295 G HN 0.788 nan 8.290 nan 0.000 0.573 296 Q N -2.106 117.714 119.800 0.033 0.000 2.857 296 Q HA 0.752 5.654 4.340 0.937 0.000 0.319 296 Q C -0.949 175.081 176.000 0.049 0.000 0.963 296 Q CA -1.191 54.636 55.803 0.040 0.000 0.770 296 Q CB 1.668 30.428 28.738 0.036 0.000 1.492 296 Q HN 0.617 nan 8.270 nan 0.000 0.493 297 I N 1.989 122.592 120.570 0.055 0.000 2.347 297 I HA 0.339 5.071 4.170 0.937 0.000 0.283 297 I C -0.018 176.127 176.117 0.046 0.000 1.058 297 I CA -0.377 60.960 61.300 0.063 0.000 1.202 297 I CB 0.581 38.629 38.000 0.080 0.000 1.386 297 I HN 0.647 nan 8.210 nan 0.000 0.475 298 R N 5.070 125.594 120.500 0.040 0.000 2.489 298 R HA 0.165 5.067 4.340 0.937 0.000 0.287 298 R C 0.805 177.121 176.300 0.027 0.000 1.053 298 R CA -0.064 56.056 56.100 0.034 0.000 1.036 298 R CB 0.828 31.149 30.300 0.035 0.000 0.966 298 R HN 0.589 nan 8.270 nan 0.000 0.432 299 L N 2.253 123.490 121.223 0.023 0.000 2.209 299 L HA 0.037 4.939 4.340 0.937 0.000 0.207 299 L C 0.758 177.637 176.870 0.014 0.000 1.094 299 L CA 0.460 55.309 54.840 0.016 0.000 0.790 299 L CB -0.272 41.795 42.059 0.014 0.000 0.932 299 L HN 0.569 nan 8.230 nan 0.000 0.447 300 N N -0.733 117.977 118.700 0.017 0.000 2.483 300 N HA 0.123 5.425 4.740 0.937 0.000 0.267 300 N C 0.422 175.947 175.510 0.025 0.000 0.998 300 N CA -0.457 52.604 53.050 0.018 0.000 0.918 300 N CB 1.464 39.959 38.487 0.013 0.000 1.215 300 N HN -0.046 nan 8.380 nan 0.000 0.500 301 c N 2.491 121.110 118.600 0.031 0.000 2.409 301 c HA -0.003 5.129 4.570 0.937 0.000 0.288 301 c C 2.124 176.237 174.090 0.038 0.000 1.395 301 c CA 0.487 56.841 56.329 0.042 0.000 1.792 301 c CB -0.967 41.578 42.510 0.058 0.000 1.847 301 c HN 0.692 nan 8.230 nan 0.000 0.534 302 R N 0.233 120.748 120.500 0.025 0.000 2.240 302 R HA 0.105 5.007 4.340 0.937 0.000 0.203 302 R C 0.510 176.823 176.300 0.020 0.000 1.011 302 R CA 0.667 56.772 56.100 0.009 0.000 1.007 302 R CB 0.123 30.418 30.300 -0.009 0.000 0.911 302 R HN 0.564 nan 8.270 nan 0.000 0.468 303 V N -2.739 117.192 119.914 0.028 0.000 3.114 303 V HA 0.496 5.178 4.120 0.937 0.000 0.308 303 V C 0.102 176.225 176.094 0.047 0.000 1.168 303 V CA -1.534 60.789 62.300 0.038 0.000 1.015 303 V CB 1.719 33.549 31.823 0.011 0.000 1.050 303 V HN -0.114 nan 8.190 nan 0.000 0.433 304 V N 0.564 120.518 119.914 0.066 0.000 2.924 304 V HA 0.464 5.146 4.120 0.937 0.000 0.305 304 V C 0.467 176.583 176.094 0.036 0.000 1.073 304 V CA -0.384 61.950 62.300 0.056 0.000 1.098 304 V CB 0.235 32.102 31.823 0.074 0.000 1.000 304 V HN 0.959 nan 8.190 nan 0.000 0.484 305 N N 2.349 121.067 118.700 0.031 0.000 2.407 305 N HA 0.150 5.452 4.740 0.937 0.000 0.250 305 N C 0.519 176.040 175.510 0.019 0.000 1.236 305 N CA 0.834 53.898 53.050 0.023 0.000 0.879 305 N CB 0.357 38.858 38.487 0.024 0.000 1.088 305 N HN 1.094 nan 8.380 nan 0.000 0.450 306 S N 0.000 115.708 115.700 0.013 0.000 2.498 306 S HA 0.000 5.032 4.470 0.937 0.000 0.327 306 S CA 0.000 58.205 58.200 0.008 0.000 1.107 306 S CB 0.000 63.205 63.200 0.009 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517