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 1h5h_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 0.000 175.985 176.000 -0.025 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.014 0.000 1.022 1 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 2 L N 1.282 122.480 121.223 -0.042 0.000 2.397 2 L HA 0.613 5.588 4.340 1.059 0.000 0.271 2 L C 0.682 177.539 176.870 -0.022 0.000 1.148 2 L CA 0.063 54.861 54.840 -0.069 0.000 0.825 2 L CB 1.003 43.020 42.059 -0.071 0.000 1.117 2 L HN 0.626 nan 8.230 nan 0.000 0.456 3 T N 1.883 116.431 114.554 -0.010 0.000 2.912 3 T HA 0.402 5.387 4.350 1.059 0.000 0.299 3 T C -2.251 172.473 174.700 0.040 0.000 1.052 3 T CA -1.633 60.487 62.100 0.032 0.000 0.996 3 T CB 2.063 70.968 68.868 0.062 0.000 1.070 3 T HN 0.235 nan 8.240 nan 0.000 0.465 4 P HA 0.011 nan 4.420 nan 0.000 0.222 4 P C 1.201 178.533 177.300 0.053 0.000 1.147 4 P CA 0.929 64.055 63.100 0.044 0.000 0.790 4 P CB 0.035 31.762 31.700 0.045 0.000 0.780 5 T N -5.636 108.947 114.554 0.050 0.000 3.107 5 T HA 0.060 5.045 4.350 1.059 0.000 0.249 5 T C 1.401 176.109 174.700 0.013 0.000 1.096 5 T CA -0.309 61.811 62.100 0.034 0.000 1.012 5 T CB -1.278 67.597 68.868 0.012 0.000 0.977 5 T HN -0.114 nan 8.240 nan 0.000 0.527 6 F N 2.135 121.984 119.950 -0.169 0.000 2.141 6 F HA -0.179 4.985 4.527 1.060 0.000 0.300 6 F C 1.014 176.581 175.800 -0.388 0.000 1.079 6 F CA 1.401 59.197 58.000 -0.341 0.000 1.264 6 F CB -0.229 38.432 39.000 -0.565 0.000 1.011 6 F HN 0.266 nan 8.300 nan 0.000 0.487 7 Y N -0.697 119.645 120.300 0.070 0.000 2.555 7 Y HA 0.145 5.330 4.550 1.058 0.000 0.259 7 Y C 1.539 177.416 175.900 -0.039 0.000 1.179 7 Y CA -0.566 57.526 58.100 -0.013 0.000 1.230 7 Y CB -0.707 37.796 38.460 0.071 0.000 1.146 7 Y HN -0.034 nan 8.280 nan 0.000 0.526 8 D N -0.010 120.425 120.400 0.058 0.000 2.263 8 D HA -0.142 5.133 4.640 1.059 0.000 0.208 8 D C 1.313 177.617 176.300 0.007 0.000 0.971 8 D CA 1.133 55.152 54.000 0.031 0.000 0.867 8 D CB 0.173 40.977 40.800 0.008 0.000 0.929 8 D HN 0.357 nan 8.370 nan 0.000 0.492 9 N N -0.793 117.896 118.700 -0.019 0.000 2.545 9 N HA -0.037 5.339 4.740 1.059 0.000 0.190 9 N C 1.741 177.244 175.510 -0.012 0.000 1.043 9 N CA 0.668 53.702 53.050 -0.026 0.000 0.879 9 N CB 0.128 38.582 38.487 -0.055 0.000 1.210 9 N HN 0.102 nan 8.380 nan 0.000 0.437 10 S N -1.120 114.579 115.700 -0.001 0.000 2.446 10 S HA 0.073 5.178 4.470 1.059 0.000 0.225 10 S C 1.157 175.786 174.600 0.047 0.000 1.016 10 S CA 0.015 58.231 58.200 0.027 0.000 0.943 10 S CB 0.006 63.232 63.200 0.043 0.000 0.786 10 S HN 0.280 nan 8.310 nan 0.000 0.508 11 c N 2.729 121.372 118.600 0.072 0.000 3.079 11 c HA 0.422 5.627 4.570 1.059 0.000 0.246 11 c C -1.969 172.139 174.090 0.030 0.000 1.025 11 c CA -1.104 55.235 56.329 0.016 0.000 1.081 11 c CB 0.832 43.298 42.510 -0.074 0.000 1.757 11 c HN 0.338 nan 8.230 nan 0.000 0.646 12 P HA -0.127 nan 4.420 nan 0.000 0.219 12 P C 0.675 177.978 177.300 0.004 0.000 1.146 12 P CA 1.599 64.714 63.100 0.024 0.000 0.808 12 P CB -0.001 31.706 31.700 0.012 0.000 0.779 13 N N -0.549 118.143 118.700 -0.014 0.000 2.322 13 N HA 0.007 5.382 4.740 1.059 0.000 0.194 13 N C 1.680 177.164 175.510 -0.045 0.000 1.126 13 N CA -0.338 52.696 53.050 -0.026 0.000 0.845 13 N CB 0.046 38.517 38.487 -0.027 0.000 0.976 13 N HN -0.052 nan 8.380 nan 0.000 0.475 14 V N 0.487 120.366 119.914 -0.059 0.000 2.287 14 V HA -0.295 4.460 4.120 1.059 0.000 0.248 14 V C 2.347 178.393 176.094 -0.080 0.000 1.053 14 V CA 2.038 64.280 62.300 -0.098 0.000 1.027 14 V CB -0.380 31.339 31.823 -0.174 0.000 0.646 14 V HN 0.277 nan 8.190 nan 0.000 0.447 15 S N -0.028 115.635 115.700 -0.061 0.000 2.370 15 S HA -0.204 4.901 4.470 1.059 0.000 0.226 15 S C 1.814 176.372 174.600 -0.070 0.000 1.033 15 S CA 1.899 60.055 58.200 -0.073 0.000 1.011 15 S CB -0.588 62.570 63.200 -0.070 0.000 0.852 15 S HN 0.792 nan 8.310 nan 0.000 0.457 16 N N 1.117 119.785 118.700 -0.054 0.000 2.244 16 N HA 0.026 5.401 4.740 1.059 0.000 0.183 16 N C 1.761 177.244 175.510 -0.046 0.000 1.016 16 N CA 1.209 54.232 53.050 -0.046 0.000 0.866 16 N CB -0.349 38.117 38.487 -0.035 0.000 0.980 16 N HN 0.473 nan 8.380 nan 0.000 0.430 17 I N 0.552 121.092 120.570 -0.050 0.000 2.252 17 I HA -0.179 4.626 4.170 1.059 0.000 0.245 17 I C 2.148 178.234 176.117 -0.051 0.000 1.102 17 I CA 0.654 61.926 61.300 -0.048 0.000 1.385 17 I CB -0.186 37.782 38.000 -0.053 0.000 1.064 17 I HN -0.118 nan 8.210 nan 0.000 0.414 18 V N 1.002 120.878 119.914 -0.063 0.000 2.295 18 V HA -0.288 4.468 4.120 1.059 0.000 0.246 18 V C 2.667 178.723 176.094 -0.062 0.000 1.049 18 V CA 2.032 64.291 62.300 -0.067 0.000 1.024 18 V CB -0.750 31.021 31.823 -0.086 0.000 0.648 18 V HN 0.424 nan 8.190 nan 0.000 0.447 19 R N 0.110 120.571 120.500 -0.065 0.000 2.083 19 R HA -0.214 4.762 4.340 1.059 0.000 0.237 19 R C 2.049 178.325 176.300 -0.041 0.000 1.137 19 R CA 2.293 58.358 56.100 -0.058 0.000 0.951 19 R CB -0.459 29.805 30.300 -0.059 0.000 0.851 19 R HN 0.481 nan 8.270 nan 0.000 0.434 20 D N -0.360 120.019 120.400 -0.036 0.000 2.123 20 D HA -0.137 5.138 4.640 1.059 0.000 0.196 20 D C 1.780 178.066 176.300 -0.024 0.000 0.992 20 D CA 1.896 55.880 54.000 -0.027 0.000 0.833 20 D CB -0.439 40.346 40.800 -0.025 0.000 0.954 20 D HN 0.300 nan 8.370 nan 0.000 0.455 21 T N 0.717 115.254 114.554 -0.029 0.000 2.708 21 T HA -0.078 4.908 4.350 1.059 0.000 0.266 21 T C 2.192 176.877 174.700 -0.024 0.000 1.037 21 T CA 0.675 62.760 62.100 -0.025 0.000 1.146 21 T CB -0.202 68.649 68.868 -0.029 0.000 0.865 21 T HN 0.178 nan 8.240 nan 0.000 0.435 22 I N 0.835 121.387 120.570 -0.029 0.000 2.315 22 I HA -0.131 4.674 4.170 1.059 0.000 0.248 22 I C 2.460 178.567 176.117 -0.017 0.000 1.117 22 I CA 0.781 62.065 61.300 -0.027 0.000 1.404 22 I CB -0.515 37.465 38.000 -0.033 0.000 1.071 22 I HN 0.086 nan 8.210 nan 0.000 0.419 23 V N 1.452 121.357 119.914 -0.016 0.000 2.332 23 V HA -0.285 4.470 4.120 1.059 0.000 0.248 23 V C 2.206 178.297 176.094 -0.005 0.000 1.055 23 V CA 1.962 64.257 62.300 -0.008 0.000 1.038 23 V CB -0.848 30.970 31.823 -0.009 0.000 0.651 23 V HN 0.476 nan 8.190 nan 0.000 0.450 24 N N 0.059 118.754 118.700 -0.008 0.000 2.142 24 N HA -0.184 5.191 4.740 1.059 0.000 0.186 24 N C 1.956 177.463 175.510 -0.005 0.000 1.023 24 N CA 1.518 54.564 53.050 -0.006 0.000 0.852 24 N CB -0.277 38.206 38.487 -0.007 0.000 0.998 24 N HN 0.517 nan 8.380 nan 0.000 0.424 25 E N 1.375 121.570 120.200 -0.008 0.000 2.110 25 E HA -0.000 4.985 4.350 1.059 0.000 0.193 25 E C 2.031 178.627 176.600 -0.007 0.000 0.988 25 E CA 0.541 56.936 56.400 -0.009 0.000 0.804 25 E CB -0.352 29.339 29.700 -0.015 0.000 0.745 25 E HN 0.295 nan 8.360 nan 0.000 0.458 26 L N 0.060 121.280 121.223 -0.004 0.000 2.187 26 L HA -0.155 4.821 4.340 1.059 0.000 0.213 26 L C 2.501 179.375 176.870 0.006 0.000 1.100 26 L CA 1.066 55.907 54.840 0.002 0.000 0.765 26 L CB -0.266 41.800 42.059 0.010 0.000 0.904 26 L HN 0.115 nan 8.230 nan 0.000 0.437 27 R N -0.481 120.022 120.500 0.005 0.000 2.092 27 R HA -0.120 4.855 4.340 1.059 0.000 0.231 27 R C 2.431 178.735 176.300 0.007 0.000 1.119 27 R CA 1.749 57.854 56.100 0.007 0.000 0.970 27 R CB -0.243 30.060 30.300 0.006 0.000 0.864 27 R HN 0.475 nan 8.270 nan 0.000 0.440 28 S N -0.769 114.933 115.700 0.004 0.000 2.492 28 S HA -0.012 5.093 4.470 1.059 0.000 0.218 28 S C 0.265 174.867 174.600 0.002 0.000 1.016 28 S CA -0.061 58.141 58.200 0.004 0.000 0.916 28 S CB 0.490 63.692 63.200 0.003 0.000 0.791 28 S HN 0.092 nan 8.310 nan 0.000 0.513 29 D N 1.900 122.299 120.400 -0.001 0.000 2.346 29 D HA 0.349 5.625 4.640 1.059 0.000 0.255 29 D C -2.291 174.004 176.300 -0.009 0.000 1.276 29 D CA -2.086 51.910 54.000 -0.006 0.000 0.941 29 D CB 1.852 42.644 40.800 -0.013 0.000 1.199 29 D HN -0.029 nan 8.370 nan 0.000 0.537 30 P HA -0.078 nan 4.420 nan 0.000 0.239 30 P C 1.030 178.322 177.300 -0.013 0.000 1.184 30 P CA 0.315 63.418 63.100 0.006 0.000 0.760 30 P CB 0.376 32.088 31.700 0.021 0.000 0.884 31 R N -0.537 119.941 120.500 -0.036 0.000 2.290 31 R HA 0.088 5.063 4.340 1.059 0.000 0.197 31 R C 2.029 178.255 176.300 -0.124 0.000 0.913 31 R CA -0.136 55.916 56.100 -0.081 0.000 1.040 31 R CB -0.467 29.801 30.300 -0.054 0.000 0.992 31 R HN -0.050 nan 8.270 nan 0.000 0.500 32 I N 1.447 121.966 120.570 -0.085 0.000 2.248 32 I HA -0.232 4.573 4.170 1.059 0.000 0.248 32 I C 1.981 178.030 176.117 -0.113 0.000 1.107 32 I CA 1.537 62.782 61.300 -0.091 0.000 1.373 32 I CB -0.265 37.701 38.000 -0.058 0.000 1.055 32 I HN 0.244 nan 8.210 nan 0.000 0.418 33 A N 0.223 122.980 122.820 -0.105 0.000 1.877 33 A HA -0.101 4.854 4.320 1.059 0.000 0.216 33 A C 2.516 179.972 177.584 -0.213 0.000 1.186 33 A CA 1.906 53.901 52.037 -0.071 0.000 0.620 33 A CB -1.306 17.732 19.000 0.063 0.000 0.822 33 A HN 0.512 nan 8.150 nan 0.000 0.443 34 A N -0.487 121.980 122.820 -0.588 0.000 1.877 34 A HA -0.074 4.881 4.320 1.059 0.000 0.216 34 A C 2.443 179.824 177.584 -0.339 0.000 1.186 34 A CA 2.103 53.587 52.037 -0.921 0.000 0.620 34 A CB -0.945 17.408 19.000 -1.079 0.000 0.822 34 A HN 0.463 nan 8.150 nan 0.000 0.443 35 S N -0.108 115.447 115.700 -0.242 0.000 2.370 35 S HA -0.130 4.976 4.470 1.059 0.000 0.226 35 S C 1.791 176.304 174.600 -0.145 0.000 1.033 35 S CA 1.556 59.655 58.200 -0.168 0.000 1.011 35 S CB -0.492 62.614 63.200 -0.156 0.000 0.852 35 S HN 0.540 nan 8.310 nan 0.000 0.457 36 I N 0.879 121.379 120.570 -0.118 0.000 2.252 36 I HA -0.145 4.660 4.170 1.059 0.000 0.245 36 I C 2.296 178.416 176.117 0.004 0.000 1.102 36 I CA 0.682 61.937 61.300 -0.075 0.000 1.385 36 I CB -0.292 37.671 38.000 -0.061 0.000 1.064 36 I HN 0.240 nan 8.210 nan 0.000 0.414 37 L N 1.085 122.338 121.223 0.051 0.000 2.042 37 L HA -0.209 4.766 4.340 1.059 0.000 0.210 37 L C 2.596 179.572 176.870 0.177 0.000 1.076 37 L CA 1.832 56.775 54.840 0.172 0.000 0.749 37 L CB -0.712 41.528 42.059 0.302 0.000 0.893 37 L HN 0.092 nan 8.230 nan 0.000 0.432 38 R N -0.726 119.819 120.500 0.074 0.000 2.120 38 R HA -0.126 4.849 4.340 1.059 0.000 0.234 38 R C 2.272 178.540 176.300 -0.053 0.000 1.123 38 R CA 1.555 57.670 56.100 0.025 0.000 0.975 38 R CB -0.285 29.958 30.300 -0.095 0.000 0.866 38 R HN 0.468 nan 8.270 nan 0.000 0.446 39 L N -0.686 120.509 121.223 -0.046 0.000 2.083 39 L HA -0.205 4.770 4.340 1.059 0.000 0.209 39 L C 2.523 179.455 176.870 0.103 0.000 1.083 39 L CA 1.532 56.357 54.840 -0.026 0.000 0.752 39 L CB -0.609 41.398 42.059 -0.087 0.000 0.899 39 L HN 0.336 nan 8.230 nan 0.000 0.433 40 H N -0.156 118.946 119.070 0.054 0.000 2.353 40 H HA -0.253 4.939 4.556 1.060 0.000 0.300 40 H C 1.929 177.358 175.328 0.168 0.000 1.090 40 H CA 1.769 57.876 56.048 0.098 0.000 1.327 40 H CB -0.204 29.614 29.762 0.093 0.000 1.383 40 H HN 0.270 nan 8.280 nan 0.000 0.508 41 F N 0.813 120.733 119.950 -0.049 0.000 2.075 41 F HA -0.187 4.970 4.527 1.050 0.000 0.297 41 F C 2.135 177.939 175.800 0.007 0.000 1.113 41 F CA 2.227 60.161 58.000 -0.110 0.000 1.218 41 F CB -1.137 37.789 39.000 -0.122 0.000 0.984 41 F HN 0.357 nan 8.300 nan 0.000 0.472 42 H N -1.407 117.366 119.070 -0.496 0.000 2.521 42 H HA -0.116 5.073 4.556 1.055 0.000 0.286 42 H C 1.570 176.776 175.328 -0.203 0.000 1.034 42 H CA 0.695 56.427 56.048 -0.526 0.000 1.278 42 H CB 0.014 29.580 29.762 -0.327 0.000 1.386 42 H HN 0.364 nan 8.280 nan 0.000 0.567 43 D N 0.246 120.659 120.400 0.021 0.000 2.110 43 D HA -0.102 5.174 4.640 1.059 0.000 0.202 43 D C 2.150 178.448 176.300 -0.003 0.000 0.975 43 D CA 0.725 54.749 54.000 0.041 0.000 0.839 43 D CB -0.453 40.401 40.800 0.090 0.000 0.996 43 D HN 0.216 nan 8.370 nan 0.000 0.464 44 c N -0.083 118.492 118.600 -0.042 0.000 2.422 44 c HA -0.045 5.160 4.570 1.059 0.000 0.279 44 c C 2.285 176.389 174.090 0.023 0.000 1.305 44 c CA 0.147 56.457 56.329 -0.032 0.000 1.757 44 c CB -1.543 40.916 42.510 -0.085 0.000 1.962 44 c HN 0.272 nan 8.230 nan 0.000 0.499 45 F N 0.413 120.236 119.950 -0.212 0.000 2.811 45 F HA 0.156 5.320 4.527 1.061 0.000 0.301 45 F C 0.733 176.408 175.800 -0.209 0.000 1.151 45 F CA 0.639 58.502 58.000 -0.227 0.000 1.412 45 F CB 0.014 38.819 39.000 -0.326 0.000 1.113 45 F HN -0.051 nan 8.300 nan 0.000 0.579 46 V N 0.347 120.225 119.914 -0.059 0.000 2.340 46 V HA 0.226 4.981 4.120 1.059 0.000 0.277 46 V C 0.193 176.157 176.094 -0.217 0.000 1.017 46 V CA -0.982 61.246 62.300 -0.120 0.000 0.820 46 V CB 0.905 32.699 31.823 -0.048 0.000 1.028 46 V HN 0.292 nan 8.190 nan 0.000 0.436 47 N N 3.472 121.965 118.700 -0.344 0.000 2.753 47 N HA -0.154 5.221 4.740 1.059 0.000 0.251 47 N C 0.369 175.730 175.510 -0.249 0.000 1.097 47 N CA 1.956 54.737 53.050 -0.448 0.000 0.786 47 N CB -0.758 37.174 38.487 -0.926 0.000 1.137 47 N HN 1.822 nan 8.380 nan 0.000 0.566 48 G N -1.963 106.729 108.800 -0.180 0.000 2.756 48 G HA2 -0.228 4.367 3.960 1.059 0.000 0.678 48 G HA3 -0.228 4.367 3.960 1.059 0.000 0.678 48 G C -0.006 174.857 174.900 -0.062 0.000 1.349 48 G CA -0.410 44.619 45.100 -0.119 0.000 0.847 48 G HN 0.860 nan 8.290 nan 0.000 0.548 49 c N 1.373 119.953 118.600 -0.033 0.000 2.305 49 c HA 0.490 5.695 4.570 1.059 0.000 0.378 49 c C 0.897 175.008 174.090 0.036 0.000 1.047 49 c CA 0.156 56.497 56.329 0.019 0.000 1.385 49 c CB -1.233 41.317 42.510 0.067 0.000 1.825 49 c HN 0.794 nan 8.230 nan 0.000 0.508 50 D N 0.586 121.011 120.400 0.041 0.000 2.563 50 D HA 0.249 5.524 4.640 1.059 0.000 0.237 50 D C 1.081 177.423 176.300 0.070 0.000 1.282 50 D CA 0.244 54.273 54.000 0.049 0.000 0.816 50 D CB -0.247 40.581 40.800 0.046 0.000 1.066 50 D HN 0.588 nan 8.370 nan 0.000 0.501 51 A N 0.743 123.614 122.820 0.085 0.000 2.816 51 A HA -0.300 4.656 4.320 1.059 0.000 0.270 51 A C 1.905 179.542 177.584 0.089 0.000 1.413 51 A CA 1.487 53.581 52.037 0.095 0.000 0.866 51 A CB -2.598 16.451 19.000 0.082 0.000 1.032 51 A HN 0.799 nan 8.150 nan 0.000 0.642 52 S N -0.601 115.157 115.700 0.097 0.000 2.399 52 S HA -0.101 5.005 4.470 1.059 0.000 0.231 52 S C 1.724 176.367 174.600 0.071 0.000 1.022 52 S CA 1.267 59.520 58.200 0.088 0.000 0.983 52 S CB -0.523 62.815 63.200 0.229 0.000 0.803 52 S HN 1.264 nan 8.310 nan 0.000 0.480 53 I N 0.815 121.450 120.570 0.109 0.000 2.614 53 I HA -0.015 4.791 4.170 1.059 0.000 0.258 53 I C 1.683 177.877 176.117 0.129 0.000 1.189 53 I CA 0.974 62.353 61.300 0.131 0.000 1.462 53 I CB -0.054 38.059 38.000 0.189 0.000 1.092 53 I HN 0.317 nan 8.210 nan 0.000 0.442 54 L N 0.522 121.823 121.223 0.129 0.000 2.418 54 L HA 0.045 5.020 4.340 1.059 0.000 0.218 54 L C 0.818 177.686 176.870 -0.004 0.000 1.125 54 L CA 0.006 54.909 54.840 0.104 0.000 0.835 54 L CB -0.350 41.798 42.059 0.148 0.000 0.953 54 L HN 0.128 nan 8.230 nan 0.000 0.454 55 L N 0.567 121.799 121.223 0.014 0.000 2.453 55 L HA 0.065 5.041 4.340 1.059 0.000 0.272 55 L C 0.086 176.966 176.870 0.016 0.000 1.182 55 L CA 0.010 54.876 54.840 0.043 0.000 0.858 55 L CB 0.339 42.456 42.059 0.098 0.000 1.120 55 L HN 0.047 nan 8.230 nan 0.000 0.474 56 D N 1.319 121.724 120.400 0.008 0.000 2.432 56 D HA 0.156 5.432 4.640 1.059 0.000 0.258 56 D C 0.066 176.355 176.300 -0.017 0.000 1.146 56 D CA -0.490 53.484 54.000 -0.043 0.000 1.015 56 D CB 0.627 41.382 40.800 -0.075 0.000 1.107 56 D HN 0.358 nan 8.370 nan 0.000 0.529 57 N N -0.041 118.616 118.700 -0.071 0.000 2.395 57 N HA 0.042 5.418 4.740 1.059 0.000 0.246 57 N C -0.077 175.275 175.510 -0.263 0.000 1.246 57 N CA 0.593 53.565 53.050 -0.129 0.000 0.879 57 N CB 0.429 38.853 38.487 -0.105 0.000 1.098 57 N HN 0.411 nan 8.380 nan 0.000 0.444 58 T N -3.301 110.980 114.554 -0.455 0.000 2.841 58 T HA 0.307 5.292 4.350 1.059 0.000 0.296 58 T C 1.089 175.558 174.700 -0.385 0.000 1.166 58 T CA -0.552 61.239 62.100 -0.514 0.000 1.007 58 T CB 0.964 69.284 68.868 -0.914 0.000 1.253 58 T HN 0.417 nan 8.240 nan 0.000 0.511 59 T N -1.277 113.113 114.554 -0.274 0.000 3.113 59 T HA 0.024 5.010 4.350 1.059 0.000 0.263 59 T C 1.798 176.401 174.700 -0.162 0.000 1.143 59 T CA 1.081 63.075 62.100 -0.177 0.000 1.090 59 T CB -0.610 68.186 68.868 -0.120 0.000 0.922 59 T HN 0.784 nan 8.240 nan 0.000 0.521 60 S N 0.630 116.188 115.700 -0.236 0.000 2.483 60 S HA 0.360 5.465 4.470 1.059 0.000 0.221 60 S C 0.225 174.809 174.600 -0.026 0.000 1.030 60 S CA -0.803 57.325 58.200 -0.121 0.000 0.925 60 S CB -0.427 62.725 63.200 -0.079 0.000 0.795 60 S HN 0.693 nan 8.310 nan 0.000 0.511 61 F N 0.284 120.186 119.950 -0.079 0.000 2.601 61 F HA 0.827 5.988 4.527 1.057 0.000 0.309 61 F C -0.652 175.091 175.800 -0.094 0.000 1.089 61 F CA -1.632 56.308 58.000 -0.100 0.000 0.940 61 F CB 0.899 39.806 39.000 -0.155 0.000 1.273 61 F HN -0.298 nan 8.300 nan 0.000 0.450 62 R N 1.051 121.674 120.500 0.205 0.000 2.531 62 R HA 0.384 5.359 4.340 1.059 0.000 0.273 62 R C -0.065 176.339 176.300 0.172 0.000 1.070 62 R CA -0.602 55.564 56.100 0.109 0.000 1.112 62 R CB 1.303 31.624 30.300 0.036 0.000 1.049 62 R HN 0.937 nan 8.270 nan 0.000 0.508 63 T N 0.023 114.627 114.554 0.083 0.000 2.910 63 T HA 0.067 5.052 4.350 1.059 0.000 0.293 63 T C 0.965 175.670 174.700 0.008 0.000 1.015 63 T CA -0.240 61.894 62.100 0.055 0.000 1.094 63 T CB 0.496 69.356 68.868 -0.013 0.000 0.968 63 T HN 0.469 nan 8.240 nan 0.000 0.521 64 E N 1.942 122.145 120.200 0.006 0.000 2.418 64 E HA -0.035 4.950 4.350 1.059 0.000 0.197 64 E C 1.785 178.389 176.600 0.007 0.000 1.026 64 E CA 0.532 56.939 56.400 0.010 0.000 0.862 64 E CB 0.172 29.897 29.700 0.040 0.000 0.799 64 E HN 0.633 nan 8.360 nan 0.000 0.518 65 K N 0.635 121.022 120.400 -0.021 0.000 2.362 65 K HA -0.092 4.863 4.320 1.059 0.000 0.200 65 K C 0.670 177.267 176.600 -0.005 0.000 1.046 65 K CA 0.713 56.992 56.287 -0.014 0.000 0.952 65 K CB 0.206 32.619 32.500 -0.145 0.000 0.753 65 K HN 0.030 nan 8.250 nan 0.000 0.466 66 D N 0.473 120.847 120.400 -0.043 0.000 2.368 66 D HA 0.102 5.377 4.640 1.059 0.000 0.218 66 D C -0.055 176.142 176.300 -0.171 0.000 1.112 66 D CA 0.072 54.023 54.000 -0.081 0.000 0.834 66 D CB 0.332 41.080 40.800 -0.086 0.000 0.953 66 D HN 0.122 nan 8.370 nan 0.000 0.505 67 A N -0.236 122.508 122.820 -0.127 0.000 2.366 67 A HA 0.221 5.177 4.320 1.059 0.000 0.249 67 A C 0.803 178.293 177.584 -0.157 0.000 1.084 67 A CA -0.323 51.600 52.037 -0.189 0.000 0.794 67 A CB 0.156 19.116 19.000 -0.066 0.000 1.034 67 A HN -0.005 nan 8.150 nan 0.000 0.491 68 F N 1.307 121.302 119.950 0.075 0.000 2.202 68 F HA -0.056 5.134 4.527 1.106 0.000 0.301 68 F C 2.402 178.271 175.800 0.114 0.000 1.082 68 F CA 1.941 60.007 58.000 0.110 0.000 1.313 68 F CB -0.580 38.498 39.000 0.129 0.000 1.024 68 F HN 0.621 nan 8.300 nan 0.000 0.495 69 G N -1.228 107.685 108.800 0.189 0.000 2.712 69 G HA2 -0.099 4.497 3.960 1.059 0.000 0.212 69 G HA3 -0.099 4.497 3.960 1.059 0.000 0.212 69 G C 1.464 176.474 174.900 0.185 0.000 1.142 69 G CA 0.350 45.512 45.100 0.104 0.000 0.789 69 G HN 0.241 nan 8.290 nan 0.000 0.535 70 N N 0.361 119.158 118.700 0.161 0.000 2.516 70 N HA 0.141 5.516 4.740 1.059 0.000 0.197 70 N C 1.185 176.809 175.510 0.190 0.000 1.064 70 N CA 0.273 53.451 53.050 0.213 0.000 0.866 70 N CB 0.182 38.785 38.487 0.195 0.000 1.255 70 N HN 0.181 nan 8.380 nan 0.000 0.447 71 A N 1.813 124.715 122.820 0.137 0.000 2.548 71 A HA 0.070 5.025 4.320 1.059 0.000 0.247 71 A C 0.781 178.459 177.584 0.156 0.000 1.067 71 A CA 0.199 52.306 52.037 0.117 0.000 0.757 71 A CB -0.501 18.537 19.000 0.065 0.000 0.996 71 A HN 0.480 nan 8.150 nan 0.000 0.504 72 N N 0.493 119.274 118.700 0.136 0.000 2.721 72 N HA -0.192 5.183 4.740 1.059 0.000 0.249 72 N C 0.342 175.949 175.510 0.163 0.000 1.072 72 N CA 1.699 54.827 53.050 0.130 0.000 0.710 72 N CB -1.007 37.544 38.487 0.107 0.000 0.993 72 N HN 0.779 nan 8.380 nan 0.000 0.547 73 S N -2.176 113.632 115.700 0.180 0.000 4.193 73 S HA 0.534 5.639 4.470 1.059 0.000 0.211 73 S C 0.051 174.732 174.600 0.134 0.000 1.162 73 S CA 0.451 58.764 58.200 0.188 0.000 1.039 73 S CB -0.463 62.887 63.200 0.251 0.000 1.371 73 S HN 0.690 nan 8.310 nan 0.000 0.550 74 A N 3.198 126.112 122.820 0.155 0.000 2.531 74 A HA 0.561 5.516 4.320 1.059 0.000 0.236 74 A C 0.326 177.924 177.584 0.024 0.000 1.062 74 A CA 0.167 52.253 52.037 0.081 0.000 0.760 74 A CB -0.168 18.968 19.000 0.227 0.000 0.995 74 A HN 0.738 nan 8.150 nan 0.000 0.501 75 R N 0.361 120.727 120.500 -0.223 0.000 2.733 75 R HA 0.700 5.675 4.340 1.059 0.000 0.272 75 R C 0.386 176.420 176.300 -0.442 0.000 1.029 75 R CA -0.399 55.557 56.100 -0.241 0.000 0.888 75 R CB 0.564 30.823 30.300 -0.068 0.000 1.251 75 R HN 2.048 nan 8.270 nan 0.000 0.464 76 G N -0.218 108.413 108.800 -0.281 0.000 2.176 76 G HA2 -0.257 4.338 3.960 1.059 0.000 0.232 76 G HA3 -0.257 4.338 3.960 1.059 0.000 0.232 76 G C 0.205 174.987 174.900 -0.196 0.000 0.986 76 G CA 0.216 45.180 45.100 -0.226 0.000 0.643 76 G HN 0.448 nan 8.290 nan 0.000 0.522 77 F N 1.418 121.376 119.950 0.013 0.000 2.120 77 F HA 0.034 5.193 4.527 1.053 0.000 0.300 77 F C 0.660 176.466 175.800 0.010 0.000 1.095 77 F CA 2.009 60.017 58.000 0.015 0.000 1.249 77 F CB -1.527 37.485 39.000 0.020 0.000 0.995 77 F HN 0.249 nan 8.300 nan 0.000 0.480 78 P HA -0.111 nan 4.420 nan 0.000 0.218 78 P C 1.890 179.223 177.300 0.055 0.000 1.149 78 P CA 1.187 64.346 63.100 0.098 0.000 0.817 78 P CB 0.002 31.747 31.700 0.075 0.000 0.785 79 V N -0.240 119.692 119.914 0.030 0.000 2.427 79 V HA -0.196 4.559 4.120 1.059 0.000 0.248 79 V C 2.264 178.362 176.094 0.007 0.000 1.051 79 V CA 1.424 63.726 62.300 0.004 0.000 1.048 79 V CB -1.025 30.785 31.823 -0.023 0.000 0.666 79 V HN 0.057 nan 8.190 nan 0.000 0.456 80 I N 0.218 120.801 120.570 0.022 0.000 2.315 80 I HA -0.163 4.642 4.170 1.059 0.000 0.248 80 I C 2.285 178.425 176.117 0.038 0.000 1.117 80 I CA 1.448 62.766 61.300 0.030 0.000 1.404 80 I CB -1.259 36.779 38.000 0.064 0.000 1.071 80 I HN 0.341 nan 8.210 nan 0.000 0.419 81 D N 0.544 120.978 120.400 0.057 0.000 2.117 81 D HA -0.203 5.072 4.640 1.059 0.000 0.197 81 D C 2.268 178.581 176.300 0.022 0.000 0.987 81 D CA 1.034 55.061 54.000 0.044 0.000 0.829 81 D CB -0.188 40.642 40.800 0.051 0.000 0.961 81 D HN 0.293 nan 8.370 nan 0.000 0.460 82 R N 0.562 121.072 120.500 0.017 0.000 2.070 82 R HA -0.131 4.844 4.340 1.059 0.000 0.233 82 R C 2.594 178.891 176.300 -0.005 0.000 1.137 82 R CA 1.724 57.828 56.100 0.005 0.000 0.945 82 R CB -0.183 30.119 30.300 0.003 0.000 0.845 82 R HN 0.234 nan 8.270 nan 0.000 0.430 83 M N -0.229 119.365 119.600 -0.010 0.000 2.229 83 M HA -0.056 5.059 4.480 1.059 0.000 0.264 83 M C 2.017 178.302 176.300 -0.026 0.000 1.063 83 M CA 1.745 57.031 55.300 -0.023 0.000 1.114 83 M CB -0.302 32.279 32.600 -0.032 0.000 1.387 83 M HN -0.129 nan 8.290 nan 0.000 0.420 84 K N 1.571 121.963 120.400 -0.014 0.000 2.026 84 K HA 0.004 4.960 4.320 1.059 0.000 0.208 84 K C 2.055 178.645 176.600 -0.017 0.000 1.048 84 K CA 2.137 58.415 56.287 -0.016 0.000 0.929 84 K CB -0.791 31.711 32.500 0.003 0.000 0.713 84 K HN 0.429 nan 8.250 nan 0.000 0.439 85 A N 0.573 123.388 122.820 -0.009 0.000 1.902 85 A HA -0.057 4.898 4.320 1.059 0.000 0.217 85 A C 2.402 179.977 177.584 -0.016 0.000 1.181 85 A CA 2.174 54.205 52.037 -0.009 0.000 0.623 85 A CB -1.135 17.863 19.000 -0.003 0.000 0.818 85 A HN 0.460 nan 8.150 nan 0.000 0.443 86 A N -0.755 122.054 122.820 -0.019 0.000 1.930 86 A HA 0.039 4.994 4.320 1.059 0.000 0.217 86 A C 2.194 179.758 177.584 -0.034 0.000 1.175 86 A CA 1.730 53.753 52.037 -0.024 0.000 0.627 86 A CB -0.752 18.233 19.000 -0.025 0.000 0.815 86 A HN 0.388 nan 8.150 nan 0.000 0.443 87 V N 0.010 119.898 119.914 -0.044 0.000 2.453 87 V HA -0.142 4.614 4.120 1.059 0.000 0.247 87 V C 2.470 178.532 176.094 -0.054 0.000 1.048 87 V CA 1.800 64.062 62.300 -0.063 0.000 1.049 87 V CB -0.597 31.173 31.823 -0.089 0.000 0.672 87 V HN 0.468 nan 8.190 nan 0.000 0.457 88 E N -0.033 120.144 120.200 -0.038 0.000 2.153 88 E HA -0.169 4.816 4.350 1.059 0.000 0.194 88 E C 2.489 179.076 176.600 -0.022 0.000 0.988 88 E CA 1.498 57.882 56.400 -0.027 0.000 0.811 88 E CB -0.343 29.348 29.700 -0.015 0.000 0.746 88 E HN 0.538 nan 8.360 nan 0.000 0.466 89 S N 0.117 115.804 115.700 -0.021 0.000 2.368 89 S HA -0.071 5.034 4.470 1.059 0.000 0.224 89 S C 1.998 176.586 174.600 -0.020 0.000 1.029 89 S CA 1.199 59.389 58.200 -0.017 0.000 0.988 89 S CB 0.017 63.207 63.200 -0.015 0.000 0.838 89 S HN 0.289 nan 8.310 nan 0.000 0.462 90 A N -0.465 122.339 122.820 -0.027 0.000 1.929 90 A HA 0.143 5.098 4.320 1.059 0.000 0.216 90 A C 1.091 178.658 177.584 -0.029 0.000 1.176 90 A CA 0.988 53.008 52.037 -0.028 0.000 0.628 90 A CB -0.383 18.596 19.000 -0.036 0.000 0.816 90 A HN 0.617 nan 8.150 nan 0.000 0.444 91 c N -0.174 118.405 118.600 -0.036 0.000 3.287 91 c HA 0.402 5.607 4.570 1.059 0.000 0.260 91 c C -2.922 171.153 174.090 -0.025 0.000 1.133 91 c CA -1.600 54.710 56.329 -0.032 0.000 1.402 91 c CB 0.283 42.763 42.510 -0.051 0.000 1.832 91 c HN 0.236 nan 8.230 nan 0.000 0.509 92 P HA 0.066 nan 4.420 nan 0.000 0.262 92 P C 0.365 177.669 177.300 0.006 0.000 1.182 92 P CA 0.789 63.887 63.100 -0.004 0.000 0.761 92 P CB 0.260 31.960 31.700 -0.001 0.000 0.795 93 R N 0.627 121.133 120.500 0.011 0.000 3.405 93 R HA -0.190 4.785 4.340 1.059 0.000 0.258 93 R C 0.424 176.754 176.300 0.049 0.000 1.030 93 R CA 0.977 57.094 56.100 0.027 0.000 0.691 93 R CB -2.687 27.630 30.300 0.029 0.000 1.093 93 R HN 0.529 nan 8.270 nan 0.000 0.448 94 T N -1.527 113.051 114.554 0.040 0.000 3.114 94 T HA 0.126 5.111 4.350 1.059 0.000 0.240 94 T C 0.703 175.483 174.700 0.133 0.000 0.983 94 T CA 0.387 62.541 62.100 0.091 0.000 1.151 94 T CB 0.606 69.503 68.868 0.048 0.000 0.974 94 T HN 0.046 nan 8.240 nan 0.000 0.442 95 V N 4.364 124.235 119.914 -0.071 0.000 2.406 95 V HA 0.424 5.180 4.120 1.059 0.000 0.272 95 V C 0.516 176.608 176.094 -0.003 0.000 1.043 95 V CA -1.076 61.106 62.300 -0.197 0.000 0.915 95 V CB 0.820 32.359 31.823 -0.474 0.000 0.988 95 V HN 0.579 nan 8.190 nan 0.000 0.466 96 S N 3.434 119.207 115.700 0.120 0.000 2.584 96 S HA 0.049 5.154 4.470 1.059 0.000 0.270 96 S C 1.216 175.845 174.600 0.049 0.000 1.346 96 S CA -0.420 57.833 58.200 0.088 0.000 1.018 96 S CB 0.824 64.085 63.200 0.101 0.000 0.899 96 S HN 0.727 nan 8.310 nan 0.000 0.542 97 c N 1.505 120.132 118.600 0.046 0.000 2.435 97 c HA 0.054 5.259 4.570 1.059 0.000 0.279 97 c C 3.111 177.234 174.090 0.055 0.000 1.321 97 c CA 0.817 57.172 56.329 0.044 0.000 1.752 97 c CB -2.096 40.446 42.510 0.054 0.000 1.959 97 c HN 1.011 nan 8.230 nan 0.000 0.500 98 A N 0.840 123.697 122.820 0.063 0.000 1.902 98 A HA -0.210 4.746 4.320 1.059 0.000 0.217 98 A C 1.816 179.441 177.584 0.068 0.000 1.181 98 A CA 2.200 54.281 52.037 0.074 0.000 0.623 98 A CB -0.561 18.474 19.000 0.059 0.000 0.818 98 A HN 0.502 nan 8.150 nan 0.000 0.443 99 D N -0.677 119.759 120.400 0.061 0.000 2.123 99 D HA -0.083 5.193 4.640 1.059 0.000 0.200 99 D C 1.862 178.173 176.300 0.018 0.000 0.976 99 D CA 0.984 55.025 54.000 0.069 0.000 0.831 99 D CB -0.361 40.559 40.800 0.200 0.000 0.974 99 D HN 0.304 nan 8.370 nan 0.000 0.469 100 L N 0.535 121.758 121.223 -0.000 0.000 2.012 100 L HA -0.152 4.823 4.340 1.059 0.000 0.210 100 L C 2.094 178.933 176.870 -0.051 0.000 1.073 100 L CA 1.320 56.135 54.840 -0.042 0.000 0.748 100 L CB -0.548 41.490 42.059 -0.035 0.000 0.891 100 L HN 0.037 nan 8.230 nan 0.000 0.431 101 L N -1.258 119.955 121.223 -0.017 0.000 2.141 101 L HA -0.147 4.828 4.340 1.059 0.000 0.209 101 L C 2.273 179.052 176.870 -0.152 0.000 1.094 101 L CA 2.251 57.080 54.840 -0.019 0.000 0.763 101 L CB -0.994 41.113 42.059 0.081 0.000 0.908 101 L HN 0.333 nan 8.230 nan 0.000 0.437 102 T N -0.137 114.294 114.554 -0.205 0.000 2.737 102 T HA -0.121 4.864 4.350 1.059 0.000 0.265 102 T C 1.975 176.443 174.700 -0.387 0.000 1.038 102 T CA 1.965 63.758 62.100 -0.512 0.000 1.144 102 T CB -0.281 68.456 68.868 -0.218 0.000 0.866 102 T HN 0.322 nan 8.240 nan 0.000 0.434 103 I N 1.516 121.949 120.570 -0.229 0.000 2.226 103 I HA -0.174 4.631 4.170 1.059 0.000 0.245 103 I C 2.959 178.940 176.117 -0.227 0.000 1.100 103 I CA 1.072 62.238 61.300 -0.224 0.000 1.374 103 I CB -0.547 37.368 38.000 -0.142 0.000 1.057 103 I HN 0.189 nan 8.210 nan 0.000 0.413 104 A N 0.904 123.619 122.820 -0.175 0.000 1.908 104 A HA -0.180 4.776 4.320 1.059 0.000 0.218 104 A C 2.562 180.061 177.584 -0.141 0.000 1.181 104 A CA 1.955 53.911 52.037 -0.135 0.000 0.627 104 A CB -0.787 18.158 19.000 -0.091 0.000 0.818 104 A HN 0.442 nan 8.150 nan 0.000 0.445 105 A N -1.048 121.664 122.820 -0.180 0.000 1.898 105 A HA -0.203 4.753 4.320 1.059 0.000 0.216 105 A C 2.226 179.729 177.584 -0.135 0.000 1.181 105 A CA 1.790 53.760 52.037 -0.113 0.000 0.620 105 A CB -0.518 18.391 19.000 -0.151 0.000 0.819 105 A HN 0.565 nan 8.150 nan 0.000 0.442 106 Q N -0.698 118.920 119.800 -0.304 0.000 2.046 106 Q HA -0.207 4.769 4.340 1.059 0.000 0.200 106 Q C 2.021 177.770 176.000 -0.419 0.000 0.975 106 Q CA 1.731 57.204 55.803 -0.549 0.000 0.836 106 Q CB -0.330 27.808 28.738 -0.998 0.000 0.896 106 Q HN 0.641 nan 8.270 nan 0.000 0.428 107 Q N 0.057 119.672 119.800 -0.307 0.000 2.124 107 Q HA -0.062 4.913 4.340 1.059 0.000 0.202 107 Q C 2.217 178.138 176.000 -0.131 0.000 0.977 107 Q CA 1.359 57.036 55.803 -0.209 0.000 0.850 107 Q CB -0.224 28.418 28.738 -0.161 0.000 0.901 107 Q HN 0.299 nan 8.270 nan 0.000 0.429 108 S N 0.298 115.943 115.700 -0.093 0.000 2.356 108 S HA -0.094 5.011 4.470 1.059 0.000 0.223 108 S C 2.194 176.803 174.600 0.015 0.000 1.032 108 S CA 1.081 59.277 58.200 -0.006 0.000 1.005 108 S CB -0.198 63.022 63.200 0.033 0.000 0.867 108 S HN 0.142 nan 8.310 nan 0.000 0.449 109 V N 1.770 121.631 119.914 -0.088 0.000 2.295 109 V HA -0.199 4.557 4.120 1.059 0.000 0.246 109 V C 2.529 178.422 176.094 -0.335 0.000 1.049 109 V CA 2.188 64.274 62.300 -0.356 0.000 1.024 109 V CB -1.344 30.193 31.823 -0.475 0.000 0.648 109 V HN 0.516 nan 8.190 nan 0.000 0.447 110 T N 0.300 114.724 114.554 -0.218 0.000 2.746 110 T HA -0.131 4.854 4.350 1.059 0.000 0.267 110 T C 1.899 176.557 174.700 -0.069 0.000 1.039 110 T CA 1.460 63.472 62.100 -0.146 0.000 1.142 110 T CB -0.322 68.468 68.868 -0.130 0.000 0.866 110 T HN 0.286 nan 8.240 nan 0.000 0.444 111 L N 0.707 121.903 121.223 -0.045 0.000 2.131 111 L HA -0.046 4.929 4.340 1.059 0.000 0.210 111 L C 2.662 179.564 176.870 0.052 0.000 1.092 111 L CA 0.957 55.800 54.840 0.004 0.000 0.759 111 L CB -0.470 41.593 42.059 0.007 0.000 0.903 111 L HN 0.239 nan 8.230 nan 0.000 0.435 112 A N -0.736 122.133 122.820 0.082 0.000 2.259 112 A HA 0.309 5.265 4.320 1.059 0.000 0.208 112 A C 1.631 179.296 177.584 0.135 0.000 1.201 112 A CA 0.738 52.876 52.037 0.168 0.000 0.824 112 A CB -0.402 18.803 19.000 0.343 0.000 0.838 112 A HN 0.532 nan 8.150 nan 0.000 0.485 113 G N -2.273 106.575 108.800 0.079 0.000 2.159 113 G HA2 -0.022 4.573 3.960 1.059 0.000 0.227 113 G HA3 -0.022 4.573 3.960 1.059 0.000 0.227 113 G C 0.725 175.710 174.900 0.142 0.000 0.986 113 G CA 0.201 45.372 45.100 0.119 0.000 0.651 113 G HN 1.267 nan 8.290 nan 0.000 0.523 114 G N 0.172 108.929 108.800 -0.071 0.000 2.510 114 G HA2 0.721 5.317 3.960 1.059 0.000 0.280 114 G HA3 0.721 5.317 3.960 1.059 0.000 0.280 114 G C -1.632 172.971 174.900 -0.495 0.000 1.386 114 G CA -0.421 44.409 45.100 -0.451 0.000 1.047 114 G HN 0.287 nan 8.290 nan 0.000 0.527 115 P HA 0.188 nan 4.420 nan 0.000 0.272 115 P C -0.598 176.745 177.300 0.071 0.000 1.230 115 P CA 0.000 62.922 63.100 -0.298 0.000 0.788 115 P CB 1.440 32.887 31.700 -0.422 0.000 0.949 116 S N 1.444 117.245 115.700 0.169 0.000 2.473 116 S HA 0.752 5.857 4.470 1.059 0.000 0.307 116 S C -1.455 173.339 174.600 0.323 0.000 1.094 116 S CA -0.589 57.713 58.200 0.169 0.000 1.070 116 S CB 0.066 63.298 63.200 0.052 0.000 1.019 116 S HN 0.624 nan 8.310 nan 0.000 0.480 117 W N 3.408 124.659 121.300 -0.081 0.000 3.059 117 W HA 0.610 5.904 4.660 1.057 0.000 0.329 117 W C -1.802 174.687 176.519 -0.051 0.000 1.246 117 W CA -1.091 56.218 57.345 -0.059 0.000 1.190 117 W CB 0.595 30.015 29.460 -0.066 0.000 1.423 117 W HN 0.487 nan 8.180 nan 0.000 0.571 118 R N 2.686 123.179 120.500 -0.011 0.000 2.207 118 R HA 0.453 5.428 4.340 1.059 0.000 0.334 118 R C 0.099 176.358 176.300 -0.069 0.000 1.013 118 R CA -0.806 55.218 56.100 -0.125 0.000 0.858 118 R CB 1.425 31.718 30.300 -0.012 0.000 1.094 118 R HN 0.534 nan 8.270 nan 0.000 0.457 119 V N 1.479 121.250 119.914 -0.239 0.000 2.775 119 V HA 0.334 5.089 4.120 1.059 0.000 0.299 119 V C -2.225 173.880 176.094 0.017 0.000 1.062 119 V CA -2.156 60.116 62.300 -0.047 0.000 1.063 119 V CB 0.563 32.304 31.823 -0.137 0.000 0.994 119 V HN 0.535 nan 8.190 nan 0.000 0.483 120 P HA 0.437 nan 4.420 nan 0.000 0.269 120 P C -0.680 176.610 177.300 -0.017 0.000 1.209 120 P CA 0.099 63.215 63.100 0.025 0.000 0.776 120 P CB 0.527 32.246 31.700 0.031 0.000 0.876 121 L N 0.951 122.135 121.223 -0.064 0.000 2.303 121 L HA 0.759 5.734 4.340 1.059 0.000 0.256 121 L C 1.045 177.615 176.870 -0.499 0.000 1.034 121 L CA -0.550 54.188 54.840 -0.170 0.000 0.832 121 L CB 1.984 44.005 42.059 -0.064 0.000 1.403 121 L HN 0.626 nan 8.230 nan 0.000 0.419 122 G N 0.189 108.460 108.800 -0.882 0.000 2.234 122 G HA2 -0.131 4.464 3.960 1.059 0.000 0.153 122 G HA3 -0.131 4.464 3.960 1.059 0.000 0.153 122 G C 0.040 174.539 174.900 -0.668 0.000 1.013 122 G CA -0.681 43.520 45.100 -1.499 0.000 0.712 122 G HN 0.445 nan 8.290 nan 0.000 0.491 123 R N 0.269 120.560 120.500 -0.348 0.000 2.641 123 R HA 0.676 5.651 4.340 1.059 0.000 0.269 123 R C 0.540 176.782 176.300 -0.097 0.000 1.074 123 R CA 0.115 56.120 56.100 -0.157 0.000 1.133 123 R CB 0.611 30.875 30.300 -0.061 0.000 1.029 123 R HN 0.259 nan 8.270 nan 0.000 0.488 124 R N 0.307 120.780 120.500 -0.045 0.000 2.919 124 R HA 0.270 5.245 4.340 1.059 0.000 0.260 124 R C -0.973 175.340 176.300 0.021 0.000 1.067 124 R CA -0.991 55.110 56.100 0.002 0.000 1.003 124 R CB 1.322 31.626 30.300 0.006 0.000 1.192 124 R HN 0.519 nan 8.270 nan 0.000 0.488 125 D N 0.868 121.290 120.400 0.036 0.000 2.255 125 D HA 0.087 5.362 4.640 1.059 0.000 0.249 125 D C 0.078 176.401 176.300 0.039 0.000 1.078 125 D CA -0.043 53.982 54.000 0.042 0.000 0.896 125 D CB 1.516 42.343 40.800 0.045 0.000 1.194 125 D HN 0.487 nan 8.370 nan 0.000 0.429 126 S N 0.955 116.682 115.700 0.045 0.000 2.584 126 S HA 0.114 5.219 4.470 1.059 0.000 0.270 126 S C 1.008 175.608 174.600 -0.001 0.000 1.346 126 S CA -0.431 57.797 58.200 0.046 0.000 1.018 126 S CB 0.619 63.876 63.200 0.095 0.000 0.899 126 S HN 0.450 nan 8.310 nan 0.000 0.542 127 L N 0.961 122.170 121.223 -0.024 0.000 2.640 127 L HA 0.289 5.264 4.340 1.059 0.000 0.230 127 L C 0.830 177.605 176.870 -0.159 0.000 1.123 127 L CA -0.155 54.661 54.840 -0.039 0.000 0.900 127 L CB -0.659 41.398 42.059 -0.004 0.000 1.146 127 L HN 0.852 nan 8.230 nan 0.000 0.484 128 Q N -1.064 118.495 119.800 -0.402 0.000 2.687 128 Q HA 0.722 5.697 4.340 1.059 0.000 0.295 128 Q C -1.689 173.546 176.000 -1.275 0.000 0.920 128 Q CA -0.919 54.247 55.803 -1.062 0.000 0.766 128 Q CB 2.060 30.227 28.738 -0.951 0.000 1.467 128 Q HN -0.089 nan 8.270 nan 0.000 0.415 129 A N 0.634 122.394 122.820 -1.765 0.000 2.330 129 A HA 0.836 5.791 4.320 1.059 0.000 0.329 129 A C -1.389 175.566 177.584 -1.048 0.000 1.135 129 A CA -0.689 50.754 52.037 -0.990 0.000 0.817 129 A CB 0.706 19.419 19.000 -0.478 0.000 1.269 129 A HN 0.521 nan 8.150 nan 0.000 0.469 130 F N 2.045 121.891 119.950 -0.174 0.000 2.564 130 F HA 0.276 5.436 4.527 1.055 0.000 0.361 130 F C 0.796 176.562 175.800 -0.055 0.000 1.161 130 F CA -0.495 57.443 58.000 -0.103 0.000 1.198 130 F CB 1.107 40.052 39.000 -0.092 0.000 1.424 130 F HN 0.493 nan 8.300 nan 0.000 0.517 131 L N 1.115 122.379 121.223 0.068 0.000 2.017 131 L HA -0.116 4.859 4.340 1.059 0.000 0.208 131 L C 1.849 178.753 176.870 0.057 0.000 1.073 131 L CA 2.125 56.990 54.840 0.042 0.000 0.745 131 L CB -0.363 41.702 42.059 0.010 0.000 0.894 131 L HN 0.358 nan 8.230 nan 0.000 0.432 132 D N -0.555 119.892 120.400 0.079 0.000 2.117 132 D HA -0.195 5.080 4.640 1.059 0.000 0.197 132 D C 2.208 178.566 176.300 0.095 0.000 0.987 132 D CA 1.463 55.516 54.000 0.089 0.000 0.829 132 D CB -0.163 40.691 40.800 0.089 0.000 0.961 132 D HN 0.308 nan 8.370 nan 0.000 0.460 133 L N 0.959 122.245 121.223 0.105 0.000 2.083 133 L HA -0.068 4.907 4.340 1.059 0.000 0.209 133 L C 2.157 179.053 176.870 0.044 0.000 1.083 133 L CA 1.468 56.346 54.840 0.062 0.000 0.752 133 L CB -0.632 41.443 42.059 0.027 0.000 0.899 133 L HN -0.059 nan 8.230 nan 0.000 0.433 134 A N -0.661 122.190 122.820 0.051 0.000 1.898 134 A HA -0.190 4.765 4.320 1.059 0.000 0.216 134 A C 2.065 179.665 177.584 0.027 0.000 1.181 134 A CA 1.703 53.743 52.037 0.004 0.000 0.620 134 A CB -0.685 18.311 19.000 -0.006 0.000 0.819 134 A HN 0.557 nan 8.150 nan 0.000 0.442 135 N N 0.287 119.039 118.700 0.085 0.000 2.309 135 N HA -0.056 5.319 4.740 1.059 0.000 0.182 135 N C 1.714 177.341 175.510 0.195 0.000 1.018 135 N CA 1.412 54.581 53.050 0.197 0.000 0.876 135 N CB -0.379 38.273 38.487 0.276 0.000 0.972 135 N HN 0.497 nan 8.380 nan 0.000 0.434 136 A N 0.535 123.439 122.820 0.139 0.000 1.935 136 A HA 0.055 5.010 4.320 1.059 0.000 0.214 136 A C 1.879 179.544 177.584 0.135 0.000 1.178 136 A CA 0.864 52.983 52.037 0.136 0.000 0.640 136 A CB -0.064 18.995 19.000 0.098 0.000 0.825 136 A HN 0.157 nan 8.150 nan 0.000 0.447 137 N N -0.265 118.490 118.700 0.091 0.000 2.409 137 N HA 0.150 5.525 4.740 1.059 0.000 0.174 137 N C 0.188 175.781 175.510 0.138 0.000 1.037 137 N CA 0.193 53.305 53.050 0.104 0.000 0.898 137 N CB -0.213 38.295 38.487 0.034 0.000 1.010 137 N HN 0.377 nan 8.380 nan 0.000 0.445 138 L N 3.327 124.550 121.223 0.001 0.000 2.410 138 L HA 0.211 5.187 4.340 1.059 0.000 0.273 138 L C -1.821 174.976 176.870 -0.123 0.000 1.144 138 L CA -1.412 53.328 54.840 -0.166 0.000 0.863 138 L CB 0.325 42.138 42.059 -0.409 0.000 1.140 138 L HN -0.019 nan 8.230 nan 0.000 0.463 139 P HA 0.238 nan 4.420 nan 0.000 0.274 139 P C -1.050 175.764 177.300 -0.810 0.000 1.237 139 P CA -0.447 62.392 63.100 -0.435 0.000 0.793 139 P CB 1.359 33.063 31.700 0.006 0.000 0.977 140 A N 2.424 124.210 122.820 -1.723 0.000 2.356 140 A HA 0.584 5.540 4.320 1.059 0.000 0.323 140 A C -1.721 175.294 177.584 -0.949 0.000 1.119 140 A CA -1.707 49.553 52.037 -1.295 0.000 0.790 140 A CB 0.837 18.768 19.000 -1.780 0.000 1.273 140 A HN 0.350 nan 8.150 nan 0.000 0.452 141 P HA -0.126 nan 4.420 nan 0.000 0.222 141 P C 0.727 178.048 177.300 0.034 0.000 1.147 141 P CA 1.264 64.273 63.100 -0.152 0.000 0.790 141 P CB -0.148 31.518 31.700 -0.056 0.000 0.780 142 F N -3.531 116.525 119.950 0.177 0.000 2.732 142 F HA 0.368 4.995 4.527 0.166 0.000 0.303 142 F C 0.593 176.622 175.800 0.382 0.000 1.110 142 F CA -1.551 56.609 58.000 0.268 0.000 1.355 142 F CB -1.278 37.856 39.000 0.224 0.000 1.081 142 F HN -0.363 nan 8.300 nan 0.000 0.565 143 F N 2.665 122.602 119.950 -0.021 0.000 2.506 143 F HA 0.260 5.432 4.527 1.075 0.000 0.351 143 F C 1.384 177.265 175.800 0.135 0.000 1.136 143 F CA -1.344 56.696 58.000 0.067 0.000 1.298 143 F CB 0.547 39.547 39.000 -0.000 0.000 1.145 143 F HN 0.084 nan 8.300 nan 0.000 0.593 144 T N 0.892 115.594 114.554 0.246 0.000 2.788 144 T HA 0.238 5.223 4.350 1.059 0.000 0.280 144 T C 1.151 175.944 174.700 0.155 0.000 0.984 144 T CA -0.779 61.428 62.100 0.177 0.000 0.972 144 T CB 0.808 69.738 68.868 0.102 0.000 1.039 144 T HN 0.465 nan 8.240 nan 0.000 0.530 145 L N 1.419 122.714 121.223 0.120 0.000 2.046 145 L HA 0.154 5.130 4.340 1.059 0.000 0.208 145 L C -0.888 176.025 176.870 0.071 0.000 1.077 145 L CA 1.619 56.515 54.840 0.093 0.000 0.747 145 L CB -1.729 40.368 42.059 0.065 0.000 0.896 145 L HN 0.527 nan 8.230 nan 0.000 0.432 146 P HA -0.183 nan 4.420 nan 0.000 0.216 146 P C 1.468 178.782 177.300 0.023 0.000 1.150 146 P CA 1.504 64.621 63.100 0.029 0.000 0.837 146 P CB -0.029 31.679 31.700 0.013 0.000 0.786 147 Q N -1.003 118.792 119.800 -0.008 0.000 2.119 147 Q HA -0.071 4.904 4.340 1.059 0.000 0.201 147 Q C 2.167 178.236 176.000 0.114 0.000 0.972 147 Q CA 1.022 56.754 55.803 -0.118 0.000 0.847 147 Q CB -0.609 27.848 28.738 -0.469 0.000 0.903 147 Q HN 0.289 nan 8.270 nan 0.000 0.433 148 L N 0.672 122.045 121.223 0.250 0.000 2.017 148 L HA -0.217 4.758 4.340 1.059 0.000 0.208 148 L C 2.295 179.327 176.870 0.270 0.000 1.073 148 L CA 1.346 56.395 54.840 0.348 0.000 0.745 148 L CB -0.330 41.846 42.059 0.195 0.000 0.894 148 L HN 0.139 nan 8.230 nan 0.000 0.432 149 K N -0.231 120.251 120.400 0.137 0.000 2.057 149 K HA -0.184 4.771 4.320 1.059 0.000 0.207 149 K C 1.745 178.456 176.600 0.185 0.000 1.049 149 K CA 1.533 57.890 56.287 0.116 0.000 0.931 149 K CB -0.203 32.332 32.500 0.059 0.000 0.714 149 K HN 0.244 nan 8.250 nan 0.000 0.440 150 D N 0.390 120.879 120.400 0.149 0.000 2.123 150 D HA -0.145 5.130 4.640 1.059 0.000 0.196 150 D C 2.125 178.545 176.300 0.199 0.000 0.992 150 D CA 1.742 55.818 54.000 0.126 0.000 0.833 150 D CB -0.304 40.529 40.800 0.055 0.000 0.954 150 D HN 0.198 nan 8.370 nan 0.000 0.455 151 S N -0.164 115.731 115.700 0.324 0.000 2.368 151 S HA -0.168 4.937 4.470 1.059 0.000 0.225 151 S C 2.086 176.928 174.600 0.404 0.000 1.030 151 S CA 0.699 59.150 58.200 0.419 0.000 0.999 151 S CB -0.767 62.814 63.200 0.636 0.000 0.844 151 S HN 0.091 nan 8.310 nan 0.000 0.459 152 F N 2.310 122.413 119.950 0.256 0.000 2.146 152 F HA 0.203 5.359 4.527 1.049 0.000 0.298 152 F C 2.784 178.585 175.800 0.001 0.000 1.096 152 F CA 0.871 58.978 58.000 0.179 0.000 1.275 152 F CB -0.503 38.636 39.000 0.232 0.000 1.008 152 F HN 0.107 nan 8.300 nan 0.000 0.480 153 R N -0.171 120.458 120.500 0.214 0.000 2.096 153 R HA -0.202 4.773 4.340 1.059 0.000 0.235 153 R C 1.900 178.204 176.300 0.006 0.000 1.127 153 R CA 1.452 57.604 56.100 0.088 0.000 0.968 153 R CB -0.720 29.631 30.300 0.085 0.000 0.861 153 R HN 0.241 nan 8.270 nan 0.000 0.440 154 N N 0.696 119.400 118.700 0.007 0.000 2.205 154 N HA -0.137 5.238 4.740 1.059 0.000 0.186 154 N C 1.459 176.889 175.510 -0.133 0.000 1.015 154 N CA 1.476 54.502 53.050 -0.040 0.000 0.862 154 N CB 0.171 38.657 38.487 -0.001 0.000 0.986 154 N HN 0.173 nan 8.380 nan 0.000 0.429 155 V N -4.584 115.176 119.914 -0.258 0.000 3.647 155 V HA 0.562 5.318 4.120 1.059 0.000 0.279 155 V C 1.226 177.142 176.094 -0.297 0.000 1.314 155 V CA 0.512 62.581 62.300 -0.385 0.000 1.125 155 V CB -0.100 31.239 31.823 -0.807 0.000 0.907 155 V HN 0.308 nan 8.190 nan 0.000 0.434 156 G N 0.677 109.365 108.800 -0.187 0.000 2.192 156 G HA2 -0.161 4.435 3.960 1.059 0.000 0.193 156 G HA3 -0.161 4.435 3.960 1.059 0.000 0.193 156 G C -0.117 174.744 174.900 -0.064 0.000 0.999 156 G CA -0.057 44.974 45.100 -0.116 0.000 0.659 156 G HN 0.485 nan 8.290 nan 0.000 0.503 157 L N 1.832 123.028 121.223 -0.045 0.000 2.315 157 L HA 0.397 5.372 4.340 1.059 0.000 0.278 157 L C 1.054 178.006 176.870 0.137 0.000 1.088 157 L CA -0.880 54.005 54.840 0.075 0.000 0.899 157 L CB 0.786 42.949 42.059 0.173 0.000 1.277 157 L HN -0.028 nan 8.230 nan 0.000 0.431 158 N N 1.672 120.421 118.700 0.083 0.000 2.354 158 N HA -0.005 5.371 4.740 1.059 0.000 0.179 158 N C 0.472 176.030 175.510 0.080 0.000 1.021 158 N CA 0.628 53.724 53.050 0.075 0.000 0.887 158 N CB 0.188 38.700 38.487 0.042 0.000 0.974 158 N HN 0.467 nan 8.380 nan 0.000 0.437 159 R N 0.315 120.867 120.500 0.086 0.000 2.438 159 R HA 0.232 5.208 4.340 1.059 0.000 0.287 159 R C 1.065 177.407 176.300 0.071 0.000 1.077 159 R CA -0.126 56.017 56.100 0.072 0.000 1.034 159 R CB 0.688 31.030 30.300 0.070 0.000 0.993 159 R HN -0.033 nan 8.270 nan 0.000 0.459 160 S N 0.807 116.532 115.700 0.041 0.000 2.419 160 S HA -0.161 4.945 4.470 1.059 0.000 0.233 160 S C 1.838 176.463 174.600 0.043 0.000 1.016 160 S CA 1.383 59.593 58.200 0.016 0.000 0.974 160 S CB -0.034 63.165 63.200 -0.001 0.000 0.786 160 S HN 0.695 nan 8.310 nan 0.000 0.492 161 S N 1.348 117.096 115.700 0.080 0.000 2.402 161 S HA -0.138 4.968 4.470 1.059 0.000 0.229 161 S C 1.459 176.176 174.600 0.194 0.000 1.021 161 S CA 1.111 59.406 58.200 0.159 0.000 0.974 161 S CB -0.377 62.920 63.200 0.162 0.000 0.800 161 S HN 0.418 nan 8.310 nan 0.000 0.484 162 D N 1.225 121.717 120.400 0.153 0.000 2.084 162 D HA -0.096 5.179 4.640 1.059 0.000 0.194 162 D C 1.938 178.359 176.300 0.202 0.000 0.990 162 D CA 1.101 55.223 54.000 0.204 0.000 0.826 162 D CB -0.588 40.378 40.800 0.277 0.000 0.971 162 D HN 0.382 nan 8.370 nan 0.000 0.453 163 L N 0.846 122.060 121.223 -0.014 0.000 2.017 163 L HA -0.136 4.839 4.340 1.059 0.000 0.208 163 L C 2.248 179.056 176.870 -0.102 0.000 1.073 163 L CA 1.397 55.976 54.840 -0.434 0.000 0.745 163 L CB -0.491 41.223 42.059 -0.575 0.000 0.894 163 L HN -0.132 nan 8.230 nan 0.000 0.432 164 V N 0.005 119.974 119.914 0.091 0.000 2.358 164 V HA -0.198 4.557 4.120 1.059 0.000 0.246 164 V C 2.769 179.193 176.094 0.549 0.000 1.047 164 V CA 1.489 63.962 62.300 0.289 0.000 1.035 164 V CB -1.355 30.602 31.823 0.223 0.000 0.658 164 V HN 0.591 nan 8.190 nan 0.000 0.452 165 A N -0.174 122.987 122.820 0.567 0.000 1.873 165 A HA -0.089 4.867 4.320 1.059 0.000 0.215 165 A C 2.191 180.113 177.584 0.564 0.000 1.186 165 A CA 1.533 53.928 52.037 0.598 0.000 0.616 165 A CB -0.515 18.689 19.000 0.340 0.000 0.823 165 A HN 0.483 nan 8.150 nan 0.000 0.442 166 L N -0.267 121.146 121.223 0.316 0.000 2.201 166 L HA -0.110 4.865 4.340 1.059 0.000 0.212 166 L C 2.559 179.453 176.870 0.041 0.000 1.105 166 L CA 1.114 56.081 54.840 0.212 0.000 0.775 166 L CB -0.298 41.849 42.059 0.148 0.000 0.913 166 L HN 0.281 nan 8.230 nan 0.000 0.440 167 S N 0.143 115.816 115.700 -0.045 0.000 2.469 167 S HA -0.100 5.005 4.470 1.059 0.000 0.238 167 S C 1.948 176.088 174.600 -0.767 0.000 0.998 167 S CA 0.954 58.929 58.200 -0.376 0.000 0.957 167 S CB -0.358 62.766 63.200 -0.126 0.000 0.764 167 S HN 0.621 nan 8.310 nan 0.000 0.514 168 G N 1.073 109.653 108.800 -0.366 0.000 2.586 168 G HA2 0.003 4.599 3.960 1.059 0.000 0.215 168 G HA3 0.003 4.599 3.960 1.059 0.000 0.215 168 G C 1.254 175.795 174.900 -0.597 0.000 1.128 168 G CA 0.592 45.300 45.100 -0.653 0.000 0.774 168 G HN 0.551 nan 8.290 nan 0.000 0.543 169 G N -0.380 108.228 108.800 -0.320 0.000 2.498 169 G HA2 -0.139 4.457 3.960 1.059 0.000 0.219 169 G HA3 -0.139 4.457 3.960 1.059 0.000 0.219 169 G C 1.125 175.947 174.900 -0.130 0.000 1.119 169 G CA 0.303 45.365 45.100 -0.062 0.000 0.766 169 G HN 0.684 nan 8.290 nan 0.000 0.552 170 H N -0.478 118.217 119.070 -0.625 0.000 2.607 170 H HA 0.123 5.312 4.556 1.055 0.000 0.288 170 H C 2.042 177.184 175.328 -0.310 0.000 1.058 170 H CA 0.236 55.886 56.048 -0.663 0.000 1.178 170 H CB 0.445 29.713 29.762 -0.823 0.000 1.340 170 H HN 0.254 nan 8.280 nan 0.000 0.591 171 T N 0.646 115.028 114.554 -0.287 0.000 3.113 171 T HA -0.020 4.965 4.350 1.059 0.000 0.256 171 T C -0.104 174.625 174.700 0.048 0.000 1.131 171 T CA 0.188 62.149 62.100 -0.231 0.000 1.074 171 T CB -0.051 68.436 68.868 -0.635 0.000 0.944 171 T HN 0.335 nan 8.240 nan 0.000 0.516 172 F N -1.520 118.417 119.950 -0.022 0.000 2.923 172 F HA 0.722 5.884 4.527 1.058 0.000 0.323 172 F C 0.084 175.959 175.800 0.125 0.000 1.189 172 F CA -1.819 56.226 58.000 0.076 0.000 0.930 172 F CB 0.753 39.809 39.000 0.092 0.000 1.414 172 F HN 0.134 nan 8.300 nan 0.000 0.496 173 G N 1.298 110.173 108.800 0.125 0.000 2.710 173 G HA2 0.193 4.789 3.960 1.059 0.000 0.668 173 G HA3 0.193 4.789 3.960 1.059 0.000 0.668 173 G C -1.641 173.414 174.900 0.258 0.000 1.320 173 G CA -0.725 44.402 45.100 0.046 0.000 0.860 173 G HN 0.785 nan 8.290 nan 0.000 0.538 174 K N -0.006 120.523 120.400 0.214 0.000 2.281 174 K HA 0.695 5.651 4.320 1.059 0.000 0.242 174 K C -0.227 176.436 176.600 0.106 0.000 0.971 174 K CA -1.008 55.358 56.287 0.132 0.000 0.834 174 K CB 2.127 34.662 32.500 0.059 0.000 1.181 174 K HN 0.805 nan 8.250 nan 0.000 0.435 175 N N 0.529 119.145 118.700 -0.141 0.000 2.287 175 N HA 0.106 5.481 4.740 1.059 0.000 0.289 175 N C -1.421 174.072 175.510 -0.028 0.000 1.066 175 N CA -0.380 52.564 53.050 -0.177 0.000 0.841 175 N CB 1.505 39.522 38.487 -0.784 0.000 1.599 175 N HN 0.302 nan 8.380 nan 0.000 0.476 176 Q N 1.742 121.627 119.800 0.143 0.000 2.327 176 Q HA 0.197 5.172 4.340 1.059 0.000 0.254 176 Q C 0.662 176.643 176.000 -0.032 0.000 0.952 176 Q CA -0.543 55.277 55.803 0.028 0.000 0.884 176 Q CB 1.044 29.753 28.738 -0.048 0.000 1.224 176 Q HN 0.747 nan 8.270 nan 0.000 0.422 177 c N 1.697 120.259 118.600 -0.063 0.000 2.403 177 c HA -0.221 4.985 4.570 1.059 0.000 0.277 177 c C 2.460 176.507 174.090 -0.073 0.000 1.248 177 c CA 1.369 57.667 56.329 -0.052 0.000 1.762 177 c CB -1.174 41.315 42.510 -0.035 0.000 2.014 177 c HN 0.966 nan 8.230 nan 0.000 0.486 178 R N 0.314 120.699 120.500 -0.193 0.000 2.133 178 R HA -0.193 4.782 4.340 1.059 0.000 0.247 178 R C 1.577 177.753 176.300 -0.206 0.000 1.151 178 R CA 2.167 58.106 56.100 -0.269 0.000 0.971 178 R CB -0.998 29.015 30.300 -0.478 0.000 0.866 178 R HN 0.411 nan 8.270 nan 0.000 0.447 179 F N 1.473 121.463 119.950 0.066 0.000 2.748 179 F HA 0.178 5.248 4.527 0.906 0.000 0.299 179 F C 1.852 177.707 175.800 0.092 0.000 1.154 179 F CA 0.138 58.196 58.000 0.098 0.000 1.446 179 F CB 0.029 39.077 39.000 0.080 0.000 1.112 179 F HN 0.161 nan 8.300 nan 0.000 0.584 180 I N -5.173 115.502 120.570 0.175 0.000 4.338 180 I HA 0.104 4.909 4.170 1.059 0.000 0.329 180 I C 1.564 177.729 176.117 0.081 0.000 1.378 180 I CA 0.017 61.383 61.300 0.111 0.000 1.170 180 I CB -0.065 37.939 38.000 0.007 0.000 1.206 180 I HN -0.203 nan 8.210 nan 0.000 0.432 181 M N 2.672 122.338 119.600 0.110 0.000 2.144 181 M HA -0.178 4.938 4.480 1.059 0.000 0.260 181 M C 1.982 178.397 176.300 0.192 0.000 1.067 181 M CA 2.100 57.500 55.300 0.167 0.000 1.095 181 M CB -1.148 31.544 32.600 0.153 0.000 1.365 181 M HN 0.586 nan 8.290 nan 0.000 0.406 182 D N 0.012 120.527 120.400 0.191 0.000 2.117 182 D HA -0.193 5.083 4.640 1.059 0.000 0.198 182 D C 1.912 178.385 176.300 0.288 0.000 0.982 182 D CA 1.240 55.381 54.000 0.235 0.000 0.828 182 D CB -0.709 40.230 40.800 0.233 0.000 0.967 182 D HN 0.378 nan 8.370 nan 0.000 0.464 183 R N 0.111 120.754 120.500 0.239 0.000 2.120 183 R HA 0.027 5.003 4.340 1.059 0.000 0.234 183 R C 2.637 178.863 176.300 -0.123 0.000 1.123 183 R CA 0.860 56.974 56.100 0.023 0.000 0.975 183 R CB -0.265 29.979 30.300 -0.093 0.000 0.866 183 R HN 0.314 nan 8.270 nan 0.000 0.446 184 L N -1.442 119.656 121.223 -0.208 0.000 2.209 184 L HA -0.046 4.929 4.340 1.059 0.000 0.207 184 L C 1.260 177.683 176.870 -0.745 0.000 1.094 184 L CA 1.123 55.624 54.840 -0.565 0.000 0.790 184 L CB -0.063 41.485 42.059 -0.851 0.000 0.932 184 L HN 0.171 nan 8.230 nan 0.000 0.447 185 Y N -2.328 117.996 120.300 0.040 0.000 2.494 185 Y HA 0.239 5.421 4.550 1.053 0.000 0.271 185 Y C 0.547 176.482 175.900 0.059 0.000 1.113 185 Y CA -0.747 57.376 58.100 0.037 0.000 1.240 185 Y CB 0.511 38.983 38.460 0.021 0.000 1.268 185 Y HN 0.049 nan 8.280 nan 0.000 0.510 186 N N 0.194 119.025 118.700 0.219 0.000 2.827 186 N HA 0.097 5.472 4.740 1.059 0.000 0.240 186 N C -2.028 173.595 175.510 0.189 0.000 1.352 186 N CA -0.296 52.856 53.050 0.170 0.000 0.760 186 N CB -0.059 38.503 38.487 0.125 0.000 1.426 186 N HN 0.008 nan 8.380 nan 0.000 0.561 187 F N 2.990 122.963 119.950 0.039 0.000 2.424 187 F HA 0.405 5.563 4.527 1.052 0.000 0.356 187 F C 1.220 177.041 175.800 0.036 0.000 1.110 187 F CA 0.118 58.141 58.000 0.038 0.000 1.161 187 F CB 0.894 39.914 39.000 0.032 0.000 1.115 187 F HN 0.518 nan 8.300 nan 0.000 0.507 188 S N 5.520 120.896 115.700 -0.540 0.000 3.631 188 S HA -0.286 4.820 4.470 1.059 0.000 0.366 188 S C 0.416 174.926 174.600 -0.151 0.000 0.993 188 S CA 0.889 58.848 58.200 -0.403 0.000 1.167 188 S CB -1.607 61.305 63.200 -0.481 0.000 0.909 188 S HN 0.962 nan 8.310 nan 0.000 0.478 189 N N -1.365 117.282 118.700 -0.088 0.000 2.708 189 N HA -0.216 5.160 4.740 1.059 0.000 0.249 189 N C 0.736 176.245 175.510 -0.002 0.000 1.097 189 N CA 1.521 54.551 53.050 -0.033 0.000 0.710 189 N CB -1.969 36.492 38.487 -0.044 0.000 1.032 189 N HN 0.943 nan 8.380 nan 0.000 0.551 190 T N -4.604 109.967 114.554 0.027 0.000 3.044 190 T HA 0.347 5.332 4.350 1.059 0.000 0.250 190 T C 1.489 176.224 174.700 0.058 0.000 1.081 190 T CA 1.077 63.207 62.100 0.049 0.000 1.040 190 T CB 0.588 69.507 68.868 0.085 0.000 0.962 190 T HN 0.622 nan 8.240 nan 0.000 0.506 191 G N 1.217 110.057 108.800 0.067 0.000 2.155 191 G HA2 -0.203 4.393 3.960 1.059 0.000 0.257 191 G HA3 -0.203 4.393 3.960 1.059 0.000 0.257 191 G C -0.133 174.819 174.900 0.086 0.000 0.983 191 G CA 0.561 45.703 45.100 0.071 0.000 0.676 191 G HN 0.648 nan 8.290 nan 0.000 0.528 192 L N 0.535 121.818 121.223 0.100 0.000 2.309 192 L HA 0.610 5.586 4.340 1.059 0.000 0.261 192 L C -1.973 174.959 176.870 0.103 0.000 1.021 192 L CA -2.691 52.203 54.840 0.089 0.000 0.823 192 L CB 2.483 44.586 42.059 0.073 0.000 1.366 192 L HN -0.129 nan 8.230 nan 0.000 0.423 193 P HA 0.003 nan 4.420 nan 0.000 0.274 193 P C -1.144 176.130 177.300 -0.043 0.000 1.256 193 P CA -0.312 62.775 63.100 -0.021 0.000 0.795 193 P CB 0.635 32.275 31.700 -0.100 0.000 1.038 194 D N 1.718 121.984 120.400 -0.224 0.000 2.412 194 D HA 0.007 5.282 4.640 1.059 0.000 0.257 194 D C -1.043 175.107 176.300 -0.250 0.000 1.217 194 D CA -1.875 51.815 54.000 -0.516 0.000 0.897 194 D CB 0.282 40.478 40.800 -1.007 0.000 1.132 194 D HN 0.183 nan 8.370 nan 0.000 0.493 195 P HA -0.131 nan 4.420 nan 0.000 0.225 195 P C 0.873 178.135 177.300 -0.065 0.000 1.148 195 P CA 0.991 64.054 63.100 -0.063 0.000 0.779 195 P CB -0.089 31.605 31.700 -0.009 0.000 0.780 196 T N -3.540 110.952 114.554 -0.103 0.000 3.169 196 T HA 0.159 5.145 4.350 1.059 0.000 0.250 196 T C 0.550 175.219 174.700 -0.052 0.000 1.111 196 T CA -0.376 61.691 62.100 -0.055 0.000 1.010 196 T CB -0.582 68.262 68.868 -0.040 0.000 0.984 196 T HN -0.091 nan 8.240 nan 0.000 0.537 197 L N 3.041 124.213 121.223 -0.086 0.000 2.272 197 L HA 0.438 5.413 4.340 1.059 0.000 0.289 197 L C -0.043 176.820 176.870 -0.012 0.000 1.032 197 L CA -0.986 53.824 54.840 -0.050 0.000 0.810 197 L CB 0.833 42.824 42.059 -0.113 0.000 1.205 197 L HN 0.163 nan 8.230 nan 0.000 0.422 198 N N 2.466 121.190 118.700 0.039 0.000 2.294 198 N HA -0.138 5.238 4.740 1.059 0.000 0.263 198 N C 0.947 176.481 175.510 0.040 0.000 1.281 198 N CA 0.947 54.021 53.050 0.040 0.000 0.846 198 N CB 1.051 39.568 38.487 0.048 0.000 1.061 198 N HN 0.894 nan 8.380 nan 0.000 0.478 199 T N 0.625 115.187 114.554 0.013 0.000 2.881 199 T HA -0.116 4.869 4.350 1.059 0.000 0.270 199 T C 1.652 176.361 174.700 0.015 0.000 1.068 199 T CA 1.635 63.736 62.100 0.001 0.000 1.131 199 T CB -0.270 68.595 68.868 -0.004 0.000 0.871 199 T HN 0.510 nan 8.240 nan 0.000 0.479 200 T N 0.558 115.134 114.554 0.037 0.000 2.812 200 T HA 0.015 5.000 4.350 1.059 0.000 0.264 200 T C 1.437 176.198 174.700 0.101 0.000 1.042 200 T CA 0.954 63.083 62.100 0.048 0.000 1.140 200 T CB -0.520 68.370 68.868 0.036 0.000 0.870 200 T HN 0.438 nan 8.240 nan 0.000 0.445 201 Y N 1.860 122.131 120.300 -0.049 0.000 2.293 201 Y HA 0.037 5.223 4.550 1.060 0.000 0.291 201 Y C 2.020 177.882 175.900 -0.064 0.000 1.137 201 Y CA 0.006 58.073 58.100 -0.055 0.000 1.202 201 Y CB -0.702 37.721 38.460 -0.062 0.000 0.990 201 Y HN 0.111 nan 8.280 nan 0.000 0.537 202 L N 0.334 121.530 121.223 -0.044 0.000 2.042 202 L HA -0.238 4.737 4.340 1.059 0.000 0.210 202 L C 2.068 178.848 176.870 -0.151 0.000 1.076 202 L CA 1.951 56.695 54.840 -0.160 0.000 0.749 202 L CB -0.891 41.099 42.059 -0.114 0.000 0.893 202 L HN 0.099 nan 8.230 nan 0.000 0.432 203 Q N -0.544 119.214 119.800 -0.069 0.000 2.050 203 Q HA -0.145 4.830 4.340 1.059 0.000 0.202 203 Q C 2.253 178.225 176.000 -0.047 0.000 0.980 203 Q CA 2.374 58.151 55.803 -0.043 0.000 0.840 203 Q CB -1.002 27.731 28.738 -0.007 0.000 0.898 203 Q HN 0.556 nan 8.270 nan 0.000 0.424 204 T N 0.897 115.429 114.554 -0.037 0.000 2.708 204 T HA -0.096 4.889 4.350 1.059 0.000 0.266 204 T C 1.799 176.436 174.700 -0.106 0.000 1.037 204 T CA 1.081 63.165 62.100 -0.027 0.000 1.146 204 T CB -0.285 68.625 68.868 0.070 0.000 0.865 204 T HN 0.170 nan 8.240 nan 0.000 0.435 205 L N 0.223 121.297 121.223 -0.248 0.000 2.093 205 L HA -0.032 4.944 4.340 1.059 0.000 0.208 205 L C 2.850 179.626 176.870 -0.156 0.000 1.085 205 L CA 1.223 55.896 54.840 -0.279 0.000 0.755 205 L CB -0.459 41.323 42.059 -0.462 0.000 0.904 205 L HN 0.149 nan 8.230 nan 0.000 0.435 206 R N -0.122 120.297 120.500 -0.135 0.000 2.115 206 R HA -0.088 4.888 4.340 1.059 0.000 0.230 206 R C 2.345 178.675 176.300 0.050 0.000 1.111 206 R CA 1.107 57.194 56.100 -0.022 0.000 0.976 206 R CB -0.500 29.788 30.300 -0.020 0.000 0.870 206 R HN 0.416 nan 8.270 nan 0.000 0.445 207 G N 0.573 109.375 108.800 0.004 0.000 2.421 207 G HA2 -0.168 4.428 3.960 1.059 0.000 0.217 207 G HA3 -0.168 4.428 3.960 1.059 0.000 0.217 207 G C 1.361 176.265 174.900 0.008 0.000 1.143 207 G CA 0.246 45.354 45.100 0.013 0.000 0.784 207 G HN 0.134 nan 8.290 nan 0.000 0.541 208 L N -0.363 120.853 121.223 -0.011 0.000 2.209 208 L HA 0.149 5.125 4.340 1.059 0.000 0.207 208 L C 0.577 177.445 176.870 -0.004 0.000 1.094 208 L CA 0.192 55.023 54.840 -0.014 0.000 0.790 208 L CB 0.209 42.246 42.059 -0.037 0.000 0.932 208 L HN 0.125 nan 8.230 nan 0.000 0.447 209 c N 1.045 119.653 118.600 0.014 0.000 3.169 209 c HA 0.341 5.546 4.570 1.059 0.000 0.232 209 c C -2.074 172.104 174.090 0.146 0.000 1.316 209 c CA -1.591 54.769 56.329 0.051 0.000 1.545 209 c CB -0.296 42.235 42.510 0.035 0.000 1.785 209 c HN 0.112 nan 8.230 nan 0.000 0.454 210 P HA 0.052 nan 4.420 nan 0.000 0.269 210 P C -0.049 177.211 177.300 -0.067 0.000 1.215 210 P CA 0.095 63.235 63.100 0.067 0.000 0.780 210 P CB 1.126 32.832 31.700 0.009 0.000 0.898 211 L N 2.945 123.953 121.223 -0.359 0.000 2.490 211 L HA -0.030 4.946 4.340 1.059 0.000 0.274 211 L C 1.030 177.762 176.870 -0.231 0.000 1.201 211 L CA 0.628 55.155 54.840 -0.521 0.000 0.869 211 L CB -0.770 40.816 42.059 -0.789 0.000 1.123 211 L HN 0.631 nan 8.230 nan 0.000 0.484 212 N N 1.309 119.912 118.700 -0.162 0.000 2.800 212 N HA -0.171 5.204 4.740 1.059 0.000 0.250 212 N C 0.344 175.814 175.510 -0.068 0.000 1.078 212 N CA 0.299 53.290 53.050 -0.098 0.000 0.804 212 N CB -0.898 37.531 38.487 -0.096 0.000 1.135 212 N HN 0.806 nan 8.380 nan 0.000 0.565 213 G N 0.537 109.301 108.800 -0.060 0.000 2.531 213 G HA2 0.219 4.814 3.960 1.059 0.000 0.281 213 G HA3 0.219 4.814 3.960 1.059 0.000 0.281 213 G C -0.209 174.673 174.900 -0.030 0.000 1.382 213 G CA -0.424 44.654 45.100 -0.036 0.000 1.045 213 G HN 0.295 nan 8.290 nan 0.000 0.533 214 N N 0.109 118.796 118.700 -0.023 0.000 2.406 214 N HA 0.038 5.414 4.740 1.059 0.000 0.265 214 N C 1.393 176.884 175.510 -0.031 0.000 1.203 214 N CA -0.425 52.611 53.050 -0.024 0.000 0.945 214 N CB 0.210 38.687 38.487 -0.017 0.000 1.165 214 N HN 0.322 nan 8.380 nan 0.000 0.485 215 L N 2.319 123.516 121.223 -0.043 0.000 2.362 215 L HA -0.073 4.902 4.340 1.059 0.000 0.219 215 L C 1.745 178.563 176.870 -0.086 0.000 1.134 215 L CA 0.591 55.390 54.840 -0.068 0.000 0.807 215 L CB -0.092 41.916 42.059 -0.084 0.000 0.927 215 L HN 0.538 nan 8.230 nan 0.000 0.447 216 S N -0.158 115.507 115.700 -0.057 0.000 2.593 216 S HA 0.221 5.327 4.470 1.059 0.000 0.217 216 S C 1.072 175.657 174.600 -0.025 0.000 0.966 216 S CA -0.062 58.112 58.200 -0.044 0.000 0.914 216 S CB -0.042 63.146 63.200 -0.021 0.000 0.776 216 S HN 0.364 nan 8.310 nan 0.000 0.523 217 A N 1.662 124.467 122.820 -0.026 0.000 2.531 217 A HA 0.376 5.332 4.320 1.059 0.000 0.236 217 A C -0.009 177.564 177.584 -0.018 0.000 1.062 217 A CA 0.163 52.190 52.037 -0.017 0.000 0.760 217 A CB -0.023 18.966 19.000 -0.017 0.000 0.995 217 A HN 0.467 nan 8.150 nan 0.000 0.501 218 L N 2.490 123.706 121.223 -0.010 0.000 2.309 218 L HA 0.614 5.589 4.340 1.059 0.000 0.282 218 L C -0.074 176.781 176.870 -0.025 0.000 1.036 218 L CA -0.618 54.214 54.840 -0.012 0.000 0.806 218 L CB 1.433 43.495 42.059 0.006 0.000 1.220 218 L HN 0.517 nan 8.230 nan 0.000 0.429 219 V N 2.173 122.053 119.914 -0.056 0.000 2.823 219 V HA 0.391 5.147 4.120 1.059 0.000 0.312 219 V C -0.773 175.273 176.094 -0.081 0.000 1.072 219 V CA -0.677 61.583 62.300 -0.067 0.000 0.937 219 V CB 2.477 34.237 31.823 -0.105 0.000 1.013 219 V HN 0.660 nan 8.190 nan 0.000 0.430 220 D N 4.161 124.554 120.400 -0.013 0.000 2.390 220 D HA 0.131 5.406 4.640 1.059 0.000 0.249 220 D C 0.526 176.854 176.300 0.046 0.000 1.144 220 D CA 0.290 54.318 54.000 0.046 0.000 0.880 220 D CB 1.353 42.207 40.800 0.091 0.000 1.182 220 D HN 0.525 nan 8.370 nan 0.000 0.451 221 F N 0.574 120.567 119.950 0.071 0.000 2.186 221 F HA -0.149 5.005 4.527 1.046 0.000 0.299 221 F C 1.368 177.239 175.800 0.119 0.000 1.090 221 F CA 0.968 59.014 58.000 0.078 0.000 1.307 221 F CB 0.240 39.273 39.000 0.055 0.000 1.019 221 F HN 0.203 nan 8.300 nan 0.000 0.489 222 D N 0.147 120.723 120.400 0.295 0.000 2.453 222 D HA 0.136 5.411 4.640 1.059 0.000 0.238 222 D C 0.974 177.329 176.300 0.091 0.000 1.088 222 D CA -0.234 53.866 54.000 0.168 0.000 0.854 222 D CB 0.807 41.693 40.800 0.144 0.000 1.076 222 D HN 0.238 nan 8.370 nan 0.000 0.533 223 L N 2.032 123.271 121.223 0.027 0.000 2.362 223 L HA 0.076 5.051 4.340 1.059 0.000 0.219 223 L C 1.693 178.546 176.870 -0.028 0.000 1.134 223 L CA 0.501 55.339 54.840 -0.003 0.000 0.807 223 L CB 0.064 42.058 42.059 -0.108 0.000 0.927 223 L HN 0.142 nan 8.230 nan 0.000 0.447 224 R N 0.876 121.349 120.500 -0.044 0.000 2.052 224 R HA 0.037 5.012 4.340 1.059 0.000 0.226 224 R C 0.478 176.776 176.300 -0.002 0.000 1.145 224 R CA 1.571 57.647 56.100 -0.040 0.000 0.952 224 R CB -0.185 30.077 30.300 -0.063 0.000 0.847 224 R HN 0.556 nan 8.270 nan 0.000 0.431 225 T N -1.872 112.692 114.554 0.017 0.000 3.226 225 T HA 0.305 5.290 4.350 1.059 0.000 0.378 225 T C -2.486 172.265 174.700 0.085 0.000 1.380 225 T CA -1.843 60.283 62.100 0.044 0.000 1.396 225 T CB 1.660 70.549 68.868 0.034 0.000 1.044 225 T HN -0.161 nan 8.240 nan 0.000 0.586 226 P HA -0.161 nan 4.420 nan 0.000 0.217 226 P C 1.475 178.895 177.300 0.200 0.000 1.148 226 P CA 1.591 64.775 63.100 0.141 0.000 0.834 226 P CB 0.075 31.838 31.700 0.105 0.000 0.783 227 T N -6.099 108.569 114.554 0.190 0.000 3.043 227 T HA 0.291 5.276 4.350 1.059 0.000 0.272 227 T C 0.428 175.312 174.700 0.307 0.000 0.990 227 T CA -0.226 62.029 62.100 0.259 0.000 0.897 227 T CB -0.386 68.581 68.868 0.166 0.000 1.111 227 T HN -0.093 nan 8.240 nan 0.000 0.529 228 I N 1.937 122.629 120.570 0.203 0.000 2.359 228 I HA 0.423 5.228 4.170 1.059 0.000 0.294 228 I C -0.681 175.467 176.117 0.050 0.000 0.987 228 I CA -1.261 60.129 61.300 0.150 0.000 1.225 228 I CB 1.356 39.418 38.000 0.104 0.000 1.366 228 I HN 0.112 nan 8.210 nan 0.000 0.466 229 F N 7.704 127.567 119.950 -0.145 0.000 2.439 229 F HA 0.216 5.377 4.527 1.057 0.000 0.356 229 F C -0.078 175.723 175.800 0.001 0.000 1.161 229 F CA -0.074 57.719 58.000 -0.345 0.000 1.151 229 F CB -0.184 38.476 39.000 -0.567 0.000 1.222 229 F HN 0.563 nan 8.300 nan 0.000 0.558 230 D N 2.539 122.838 120.400 -0.168 0.000 2.759 230 D HA 0.133 5.408 4.640 1.059 0.000 0.321 230 D C -0.186 176.138 176.300 0.039 0.000 1.267 230 D CA -0.740 53.345 54.000 0.142 0.000 0.933 230 D CB 0.131 40.980 40.800 0.082 0.000 1.431 230 D HN 0.244 nan 8.370 nan 0.000 0.504 231 N N -0.318 118.428 118.700 0.077 0.000 2.383 231 N HA -0.064 5.311 4.740 1.059 0.000 0.192 231 N C 0.536 176.020 175.510 -0.043 0.000 1.141 231 N CA -0.033 52.988 53.050 -0.048 0.000 0.851 231 N CB 0.016 38.523 38.487 0.032 0.000 0.976 231 N HN 0.194 nan 8.380 nan 0.000 0.465 232 K N 0.527 120.882 120.400 -0.074 0.000 2.211 232 K HA -0.178 4.777 4.320 1.059 0.000 0.204 232 K C 1.396 177.918 176.600 -0.130 0.000 1.047 232 K CA 0.653 56.890 56.287 -0.083 0.000 0.935 232 K CB -0.793 31.667 32.500 -0.067 0.000 0.728 232 K HN 0.414 nan 8.250 nan 0.000 0.452 233 Y N 0.840 120.933 120.300 -0.345 0.000 2.151 233 Y HA -0.330 4.853 4.550 1.055 0.000 0.284 233 Y C 1.807 177.404 175.900 -0.505 0.000 1.166 233 Y CA 1.698 59.521 58.100 -0.461 0.000 1.163 233 Y CB -0.429 37.616 38.460 -0.691 0.000 0.974 233 Y HN 0.024 nan 8.280 nan 0.000 0.511 234 Y N -1.335 118.809 120.300 -0.259 0.000 2.337 234 Y HA -0.115 5.072 4.550 1.061 0.000 0.293 234 Y C 2.496 178.191 175.900 -0.341 0.000 1.123 234 Y CA 1.205 59.114 58.100 -0.319 0.000 1.201 234 Y CB -0.778 37.587 38.460 -0.159 0.000 1.011 234 Y HN -0.028 nan 8.280 nan 0.000 0.545 235 V N 0.526 120.354 119.914 -0.143 0.000 2.407 235 V HA -0.282 4.473 4.120 1.059 0.000 0.248 235 V C 1.844 177.776 176.094 -0.270 0.000 1.055 235 V CA 1.819 64.010 62.300 -0.182 0.000 1.049 235 V CB -0.547 31.198 31.823 -0.131 0.000 0.662 235 V HN 0.466 nan 8.190 nan 0.000 0.455 236 N N 0.594 119.110 118.700 -0.306 0.000 2.084 236 N HA -0.119 5.256 4.740 1.059 0.000 0.190 236 N C 1.829 177.110 175.510 -0.382 0.000 1.030 236 N CA 1.424 54.273 53.050 -0.336 0.000 0.849 236 N CB -0.526 37.759 38.487 -0.337 0.000 1.012 236 N HN 0.388 nan 8.380 nan 0.000 0.423 237 L N 1.353 122.287 121.223 -0.483 0.000 2.042 237 L HA -0.149 4.826 4.340 1.059 0.000 0.210 237 L C 2.003 178.438 176.870 -0.725 0.000 1.076 237 L CA 1.279 55.824 54.840 -0.492 0.000 0.749 237 L CB -0.558 41.215 42.059 -0.476 0.000 0.893 237 L HN 0.228 nan 8.230 nan 0.000 0.432 238 E N 0.247 119.929 120.200 -0.864 0.000 2.265 238 E HA -0.199 4.786 4.350 1.059 0.000 0.196 238 E C 1.204 177.504 176.600 -0.499 0.000 0.996 238 E CA 0.945 56.704 56.400 -1.068 0.000 0.832 238 E CB 0.004 29.343 29.700 -0.601 0.000 0.756 238 E HN 0.603 nan 8.360 nan 0.000 0.491 239 E N 0.315 120.313 120.200 -0.337 0.000 2.465 239 E HA 0.018 5.003 4.350 1.059 0.000 0.195 239 E C -0.337 176.184 176.600 -0.131 0.000 1.028 239 E CA -0.106 56.182 56.400 -0.186 0.000 0.899 239 E CB 0.593 30.184 29.700 -0.181 0.000 1.032 239 E HN 0.067 nan 8.360 nan 0.000 0.468 240 Q N -0.176 119.546 119.800 -0.130 0.000 2.494 240 Q HA -0.215 4.760 4.340 1.059 0.000 0.272 240 Q C 0.050 176.027 176.000 -0.037 0.000 1.145 240 Q CA 0.943 56.722 55.803 -0.040 0.000 0.943 240 Q CB -2.060 26.684 28.738 0.010 0.000 1.338 240 Q HN 0.371 nan 8.270 nan 0.000 0.492 241 K N -0.100 120.227 120.400 -0.121 0.000 2.514 241 K HA 0.261 5.217 4.320 1.059 0.000 0.207 241 K C 0.886 177.456 176.600 -0.051 0.000 1.035 241 K CA 0.386 56.596 56.287 -0.129 0.000 1.113 241 K CB 0.849 33.088 32.500 -0.435 0.000 0.846 241 K HN 0.263 nan 8.250 nan 0.000 0.491 242 G N 1.052 109.822 108.800 -0.051 0.000 2.441 242 G HA2 0.037 4.632 3.960 1.059 0.000 0.243 242 G HA3 0.037 4.632 3.960 1.059 0.000 0.243 242 G C 0.705 175.684 174.900 0.130 0.000 1.281 242 G CA -0.432 44.651 45.100 -0.029 0.000 0.854 242 G HN 0.116 nan 8.290 nan 0.000 0.560 243 L N 3.041 124.376 121.223 0.187 0.000 2.007 243 L HA 0.213 5.188 4.340 1.059 0.000 0.205 243 L C 1.566 178.472 176.870 0.060 0.000 1.073 243 L CA 1.295 56.207 54.840 0.121 0.000 0.744 243 L CB -0.468 41.597 42.059 0.009 0.000 0.898 243 L HN 0.653 nan 8.230 nan 0.000 0.435 244 I N -3.401 117.252 120.570 0.139 0.000 2.793 244 I HA 0.219 5.025 4.170 1.059 0.000 0.313 244 I C 1.277 177.493 176.117 0.164 0.000 0.998 244 I CA -0.598 60.790 61.300 0.147 0.000 1.140 244 I CB 0.973 39.087 38.000 0.191 0.000 1.327 244 I HN 0.284 nan 8.210 nan 0.000 0.491 245 Q N 2.345 122.253 119.800 0.179 0.000 2.096 245 Q HA -0.234 4.741 4.340 1.059 0.000 0.208 245 Q C 1.993 178.113 176.000 0.200 0.000 0.993 245 Q CA 3.351 59.272 55.803 0.197 0.000 0.862 245 Q CB -0.088 28.851 28.738 0.335 0.000 0.915 245 Q HN 0.961 nan 8.270 nan 0.000 0.416 246 S N 0.027 115.854 115.700 0.212 0.000 2.419 246 S HA -0.169 4.936 4.470 1.059 0.000 0.233 246 S C 1.248 175.973 174.600 0.209 0.000 1.016 246 S CA 1.279 59.600 58.200 0.202 0.000 0.974 246 S CB -0.225 63.081 63.200 0.176 0.000 0.786 246 S HN 0.408 nan 8.310 nan 0.000 0.492 247 D N 1.418 121.967 120.400 0.247 0.000 2.085 247 D HA -0.040 5.235 4.640 1.059 0.000 0.199 247 D C 2.147 178.524 176.300 0.128 0.000 0.981 247 D CA 1.257 55.413 54.000 0.260 0.000 0.834 247 D CB -0.616 40.370 40.800 0.310 0.000 0.992 247 D HN 0.368 nan 8.370 nan 0.000 0.457 248 Q N 0.895 120.756 119.800 0.101 0.000 2.226 248 Q HA -0.127 4.849 4.340 1.059 0.000 0.204 248 Q C 1.691 177.763 176.000 0.120 0.000 0.975 248 Q CA 1.082 56.931 55.803 0.078 0.000 0.866 248 Q CB -0.083 28.686 28.738 0.051 0.000 0.915 248 Q HN 0.189 nan 8.270 nan 0.000 0.440 249 E N -0.121 120.154 120.200 0.126 0.000 2.209 249 E HA -0.161 4.824 4.350 1.059 0.000 0.196 249 E C 1.846 178.512 176.600 0.109 0.000 0.993 249 E CA 0.851 57.323 56.400 0.121 0.000 0.819 249 E CB -0.151 29.633 29.700 0.140 0.000 0.745 249 E HN 0.462 nan 8.360 nan 0.000 0.477 250 L N -0.714 120.587 121.223 0.129 0.000 2.191 250 L HA -0.133 4.842 4.340 1.059 0.000 0.212 250 L C 2.179 179.148 176.870 0.164 0.000 1.103 250 L CA 0.884 55.802 54.840 0.130 0.000 0.769 250 L CB -0.233 41.924 42.059 0.163 0.000 0.908 250 L HN 0.058 nan 8.230 nan 0.000 0.438 251 F N -1.261 118.688 119.950 -0.002 0.000 2.680 251 F HA 0.093 5.254 4.527 1.056 0.000 0.290 251 F C 2.114 177.904 175.800 -0.016 0.000 1.114 251 F CA 0.368 58.356 58.000 -0.019 0.000 1.333 251 F CB 0.416 39.393 39.000 -0.039 0.000 1.091 251 F HN -0.181 nan 8.300 nan 0.000 0.606 252 S N -1.023 114.705 115.700 0.046 0.000 2.512 252 S HA 0.110 5.215 4.470 1.059 0.000 0.216 252 S C 0.703 175.287 174.600 -0.027 0.000 1.006 252 S CA 0.068 58.249 58.200 -0.032 0.000 0.915 252 S CB -0.061 63.175 63.200 0.060 0.000 0.824 252 S HN 0.214 nan 8.310 nan 0.000 0.497 253 S N 2.547 118.249 115.700 0.004 0.000 2.568 253 S HA 0.145 5.250 4.470 1.059 0.000 0.282 253 S C -1.896 172.695 174.600 -0.014 0.000 1.338 253 S CA -1.084 57.127 58.200 0.019 0.000 1.045 253 S CB 0.707 63.931 63.200 0.041 0.000 0.873 253 S HN -0.014 nan 8.310 nan 0.000 0.516 254 P HA -0.014 nan 4.420 nan 0.000 0.225 254 P C 0.681 177.970 177.300 -0.018 0.000 1.148 254 P CA 0.749 63.841 63.100 -0.013 0.000 0.779 254 P CB -0.008 31.694 31.700 0.003 0.000 0.780 255 N N -0.502 118.194 118.700 -0.007 0.000 2.268 255 N HA 0.089 5.465 4.740 1.059 0.000 0.204 255 N C 0.648 176.148 175.510 -0.017 0.000 1.124 255 N CA -0.072 52.973 53.050 -0.007 0.000 0.838 255 N CB 0.149 38.640 38.487 0.008 0.000 0.994 255 N HN -0.067 nan 8.380 nan 0.000 0.489 256 A N -0.143 122.656 122.820 -0.034 0.000 2.359 256 A HA 0.122 5.077 4.320 1.059 0.000 0.240 256 A C 1.623 179.165 177.584 -0.070 0.000 1.306 256 A CA 0.014 52.023 52.037 -0.048 0.000 0.898 256 A CB -0.363 18.598 19.000 -0.065 0.000 0.956 256 A HN 0.200 nan 8.150 nan 0.000 0.497 257 T N 1.312 115.830 114.554 -0.060 0.000 2.759 257 T HA -0.167 4.818 4.350 1.059 0.000 0.269 257 T C 1.674 176.340 174.700 -0.057 0.000 1.042 257 T CA 1.858 63.919 62.100 -0.063 0.000 1.140 257 T CB -0.259 68.581 68.868 -0.047 0.000 0.864 257 T HN 0.873 nan 8.240 nan 0.000 0.455 258 D N 1.009 121.383 120.400 -0.044 0.000 2.271 258 D HA -0.056 5.220 4.640 1.059 0.000 0.206 258 D C 2.093 178.362 176.300 -0.051 0.000 0.967 258 D CA 1.367 55.342 54.000 -0.042 0.000 0.867 258 D CB -0.837 39.947 40.800 -0.027 0.000 0.960 258 D HN 0.533 nan 8.370 nan 0.000 0.509 259 T N -1.283 113.244 114.554 -0.044 0.000 3.035 259 T HA 0.141 5.127 4.350 1.059 0.000 0.259 259 T C 2.346 177.024 174.700 -0.038 0.000 1.078 259 T CA 0.003 62.080 62.100 -0.038 0.000 1.132 259 T CB -0.503 68.364 68.868 -0.001 0.000 0.900 259 T HN 0.085 nan 8.240 nan 0.000 0.480 260 I N 2.708 123.250 120.570 -0.047 0.000 2.163 260 I HA -0.095 4.710 4.170 1.059 0.000 0.243 260 I C -0.226 175.880 176.117 -0.019 0.000 1.085 260 I CA 1.431 62.713 61.300 -0.029 0.000 1.347 260 I CB -0.993 36.900 38.000 -0.177 0.000 1.044 260 I HN 0.245 nan 8.210 nan 0.000 0.408 261 P HA -0.153 nan 4.420 nan 0.000 0.218 261 P C 1.911 179.092 177.300 -0.198 0.000 1.149 261 P CA 1.542 64.584 63.100 -0.096 0.000 0.817 261 P CB 0.005 31.654 31.700 -0.086 0.000 0.785 262 L N -0.832 120.223 121.223 -0.280 0.000 2.072 262 L HA -0.099 4.877 4.340 1.059 0.000 0.205 262 L C 2.788 179.166 176.870 -0.820 0.000 1.079 262 L CA 1.062 55.525 54.840 -0.629 0.000 0.752 262 L CB -1.093 40.651 42.059 -0.525 0.000 0.906 262 L HN -0.187 nan 8.230 nan 0.000 0.436 263 V N 0.035 119.743 119.914 -0.344 0.000 2.287 263 V HA -0.316 4.440 4.120 1.059 0.000 0.248 263 V C 2.645 178.646 176.094 -0.155 0.000 1.053 263 V CA 1.867 64.086 62.300 -0.135 0.000 1.027 263 V CB -0.621 31.305 31.823 0.171 0.000 0.646 263 V HN 0.408 nan 8.190 nan 0.000 0.447 264 R N 0.688 121.138 120.500 -0.084 0.000 2.073 264 R HA -0.152 4.823 4.340 1.059 0.000 0.234 264 R C 2.652 178.894 176.300 -0.098 0.000 1.134 264 R CA 1.767 57.836 56.100 -0.051 0.000 0.952 264 R CB -0.641 29.665 30.300 0.009 0.000 0.850 264 R HN 0.708 nan 8.270 nan 0.000 0.433 265 S N 0.477 116.071 115.700 -0.177 0.000 2.370 265 S HA -0.133 4.972 4.470 1.059 0.000 0.226 265 S C 1.776 176.404 174.600 0.048 0.000 1.033 265 S CA 1.071 59.210 58.200 -0.102 0.000 1.011 265 S CB -0.378 62.729 63.200 -0.156 0.000 0.852 265 S HN 0.151 nan 8.310 nan 0.000 0.457 266 F N 2.309 122.113 119.950 -0.242 0.000 2.367 266 F HA 0.427 5.588 4.527 1.057 0.000 0.298 266 F C 2.787 178.414 175.800 -0.288 0.000 1.094 266 F CA -0.447 57.326 58.000 -0.377 0.000 1.409 266 F CB -1.413 36.957 39.000 -1.048 0.000 1.064 266 F HN 0.366 nan 8.300 nan 0.000 0.528 267 A N 0.140 122.946 122.820 -0.024 0.000 2.016 267 A HA -0.130 4.826 4.320 1.059 0.000 0.217 267 A C 1.961 179.540 177.584 -0.009 0.000 1.162 267 A CA 1.375 53.418 52.037 0.009 0.000 0.662 267 A CB -0.926 18.064 19.000 -0.016 0.000 0.812 267 A HN 0.438 nan 8.150 nan 0.000 0.450 268 N N -1.054 117.642 118.700 -0.007 0.000 2.416 268 N HA 0.022 5.397 4.740 1.059 0.000 0.177 268 N C 0.084 175.592 175.510 -0.003 0.000 1.036 268 N CA 0.656 53.701 53.050 -0.009 0.000 0.901 268 N CB 0.183 38.665 38.487 -0.008 0.000 0.976 268 N HN 0.291 nan 8.380 nan 0.000 0.444 269 S N -0.791 114.919 115.700 0.016 0.000 2.720 269 S HA 0.205 5.310 4.470 1.059 0.000 0.278 269 S C 0.561 175.150 174.600 -0.018 0.000 1.172 269 S CA -0.710 57.489 58.200 -0.001 0.000 1.019 269 S CB 1.373 64.583 63.200 0.016 0.000 1.049 269 S HN -0.037 nan 8.310 nan 0.000 0.483 270 T N 3.833 118.321 114.554 -0.110 0.000 2.720 270 T HA -0.161 4.825 4.350 1.059 0.000 0.268 270 T C 1.806 176.300 174.700 -0.343 0.000 1.037 270 T CA 1.857 63.786 62.100 -0.284 0.000 1.144 270 T CB -0.296 68.303 68.868 -0.448 0.000 0.864 270 T HN 0.770 nan 8.240 nan 0.000 0.444 271 Q N 0.283 119.963 119.800 -0.200 0.000 2.061 271 Q HA -0.160 4.815 4.340 1.059 0.000 0.204 271 Q C 2.249 178.231 176.000 -0.031 0.000 0.984 271 Q CA 1.808 57.550 55.803 -0.102 0.000 0.846 271 Q CB -0.262 28.447 28.738 -0.049 0.000 0.902 271 Q HN 0.447 nan 8.270 nan 0.000 0.421 272 T N 0.832 115.391 114.554 0.009 0.000 2.746 272 T HA -0.155 4.830 4.350 1.059 0.000 0.267 272 T C 1.286 175.979 174.700 -0.011 0.000 1.039 272 T CA 1.312 63.454 62.100 0.070 0.000 1.142 272 T CB -0.451 68.519 68.868 0.170 0.000 0.866 272 T HN 0.371 nan 8.240 nan 0.000 0.444 273 F N 1.713 121.519 119.950 -0.241 0.000 2.075 273 F HA -0.010 5.151 4.527 1.058 0.000 0.297 273 F C 1.762 177.479 175.800 -0.138 0.000 1.113 273 F CA 0.691 58.359 58.000 -0.553 0.000 1.218 273 F CB -0.830 37.981 39.000 -0.314 0.000 0.984 273 F HN 0.050 nan 8.300 nan 0.000 0.472 274 F N 1.419 121.059 119.950 -0.517 0.000 2.126 274 F HA -0.226 4.936 4.527 1.058 0.000 0.299 274 F C 2.382 177.953 175.800 -0.381 0.000 1.096 274 F CA 1.405 59.092 58.000 -0.521 0.000 1.255 274 F CB -1.647 37.199 39.000 -0.256 0.000 0.997 274 F HN 0.084 nan 8.300 nan 0.000 0.479 275 N N 0.222 118.879 118.700 -0.071 0.000 2.084 275 N HA -0.125 5.250 4.740 1.059 0.000 0.190 275 N C 2.068 177.473 175.510 -0.174 0.000 1.030 275 N CA 1.510 54.490 53.050 -0.115 0.000 0.849 275 N CB -0.772 37.685 38.487 -0.050 0.000 1.012 275 N HN 0.232 nan 8.380 nan 0.000 0.423 276 A N 0.215 122.926 122.820 -0.182 0.000 1.930 276 A HA -0.097 4.859 4.320 1.059 0.000 0.217 276 A C 2.102 179.575 177.584 -0.184 0.000 1.175 276 A CA 0.801 52.746 52.037 -0.152 0.000 0.627 276 A CB -0.837 18.043 19.000 -0.201 0.000 0.815 276 A HN 0.277 nan 8.150 nan 0.000 0.443 277 F N 0.571 120.252 119.950 -0.448 0.000 2.113 277 F HA -0.129 5.031 4.527 1.056 0.000 0.297 277 F C 2.257 177.768 175.800 -0.482 0.000 1.103 277 F CA 1.851 59.597 58.000 -0.424 0.000 1.248 277 F CB -0.257 38.345 39.000 -0.663 0.000 0.999 277 F HN 0.028 nan 8.300 nan 0.000 0.475 278 V N 0.324 119.860 119.914 -0.631 0.000 2.343 278 V HA -0.308 4.447 4.120 1.059 0.000 0.247 278 V C 2.371 178.071 176.094 -0.657 0.000 1.051 278 V CA 2.266 63.938 62.300 -1.045 0.000 1.036 278 V CB -0.738 30.438 31.823 -1.077 0.000 0.654 278 V HN 0.411 nan 8.190 nan 0.000 0.451 279 E N 0.174 120.135 120.200 -0.398 0.000 2.051 279 E HA -0.231 4.754 4.350 1.059 0.000 0.192 279 E C 2.231 178.718 176.600 -0.188 0.000 0.991 279 E CA 1.464 57.727 56.400 -0.229 0.000 0.799 279 E CB -0.251 29.369 29.700 -0.133 0.000 0.748 279 E HN 0.565 nan 8.360 nan 0.000 0.449 280 A N 0.738 123.433 122.820 -0.207 0.000 1.930 280 A HA -0.152 4.804 4.320 1.059 0.000 0.217 280 A C 2.176 179.647 177.584 -0.187 0.000 1.175 280 A CA 1.299 53.254 52.037 -0.137 0.000 0.627 280 A CB -0.363 18.587 19.000 -0.084 0.000 0.815 280 A HN 0.276 nan 8.150 nan 0.000 0.443 281 M N 0.006 119.374 119.600 -0.388 0.000 2.117 281 M HA -0.142 4.973 4.480 1.059 0.000 0.262 281 M C 1.315 177.598 176.300 -0.029 0.000 1.065 281 M CA 1.536 56.671 55.300 -0.275 0.000 1.114 281 M CB -1.298 31.046 32.600 -0.426 0.000 1.361 281 M HN 0.342 nan 8.290 nan 0.000 0.408 282 D N -0.512 119.857 120.400 -0.053 0.000 2.178 282 D HA -0.079 5.197 4.640 1.059 0.000 0.202 282 D C 2.167 178.481 176.300 0.022 0.000 0.974 282 D CA 0.877 54.904 54.000 0.045 0.000 0.841 282 D CB -0.158 40.657 40.800 0.025 0.000 0.953 282 D HN 0.332 nan 8.370 nan 0.000 0.478 283 R N -0.040 120.451 120.500 -0.014 0.000 2.075 283 R HA 0.014 4.990 4.340 1.059 0.000 0.232 283 R C 2.340 178.641 176.300 0.003 0.000 1.126 283 R CA 0.825 56.922 56.100 -0.005 0.000 0.963 283 R CB -0.234 30.064 30.300 -0.003 0.000 0.858 283 R HN 0.179 nan 8.270 nan 0.000 0.435 284 M N -0.038 119.572 119.600 0.015 0.000 2.159 284 M HA -0.063 5.053 4.480 1.059 0.000 0.263 284 M C 1.810 178.120 176.300 0.018 0.000 1.063 284 M CA 2.024 57.338 55.300 0.024 0.000 1.110 284 M CB -0.134 32.509 32.600 0.071 0.000 1.374 284 M HN 0.249 nan 8.290 nan 0.000 0.411 285 G N -0.134 108.715 108.800 0.080 0.000 2.625 285 G HA2 -0.199 4.397 3.960 1.059 0.000 0.214 285 G HA3 -0.199 4.397 3.960 1.059 0.000 0.214 285 G C 1.043 175.980 174.900 0.061 0.000 1.132 285 G CA 0.595 45.775 45.100 0.134 0.000 0.782 285 G HN 0.679 nan 8.290 nan 0.000 0.538 286 N N -0.192 118.520 118.700 0.020 0.000 2.230 286 N HA 0.169 5.545 4.740 1.059 0.000 0.202 286 N C 0.064 175.553 175.510 -0.034 0.000 1.119 286 N CA -0.381 52.665 53.050 -0.006 0.000 0.851 286 N CB 0.114 38.597 38.487 -0.007 0.000 0.990 286 N HN 0.146 nan 8.380 nan 0.000 0.497 287 I N 2.279 122.819 120.570 -0.051 0.000 2.505 287 I HA -0.073 4.732 4.170 1.059 0.000 0.287 287 I C 0.634 176.699 176.117 -0.087 0.000 1.104 287 I CA 0.040 61.286 61.300 -0.090 0.000 1.387 287 I CB 0.572 38.487 38.000 -0.141 0.000 1.404 287 I HN 0.229 nan 8.210 nan 0.000 0.528 288 T N 4.616 119.118 114.554 -0.088 0.000 3.213 288 T HA -0.126 4.860 4.350 1.059 0.000 0.427 288 T C -1.985 172.673 174.700 -0.071 0.000 0.772 288 T CA -0.698 61.351 62.100 -0.084 0.000 2.150 288 T CB -1.800 67.002 68.868 -0.111 0.000 1.655 288 T HN 0.473 nan 8.240 nan 0.000 0.584 289 P HA 0.500 nan 4.420 nan 0.000 0.281 289 P C 0.232 177.506 177.300 -0.044 0.000 1.249 289 P CA -0.921 62.151 63.100 -0.047 0.000 0.810 289 P CB 1.022 32.692 31.700 -0.049 0.000 1.008 290 L N 2.034 123.236 121.223 -0.035 0.000 2.292 290 L HA 0.441 5.417 4.340 1.059 0.000 0.284 290 L C 1.172 178.017 176.870 -0.041 0.000 1.065 290 L CA -0.019 54.805 54.840 -0.026 0.000 0.806 290 L CB 1.248 43.303 42.059 -0.006 0.000 1.175 290 L HN 0.565 nan 8.230 nan 0.000 0.431 291 T N -1.065 113.467 114.554 -0.037 0.000 2.804 291 T HA 0.767 5.753 4.350 1.059 0.000 0.290 291 T C 0.505 175.197 174.700 -0.013 0.000 1.099 291 T CA -0.045 62.024 62.100 -0.051 0.000 1.011 291 T CB 1.816 70.647 68.868 -0.063 0.000 1.291 291 T HN 0.858 nan 8.240 nan 0.000 0.523 292 G N 1.301 110.104 108.800 0.006 0.000 2.620 292 G HA2 -0.357 4.238 3.960 1.059 0.000 0.315 292 G HA3 -0.357 4.238 3.960 1.059 0.000 0.315 292 G C 0.987 175.916 174.900 0.049 0.000 1.179 292 G CA 1.908 47.033 45.100 0.041 0.000 0.971 292 G HN 2.083 nan 8.290 nan 0.000 0.544 293 T N -0.922 113.653 114.554 0.035 0.000 3.054 293 T HA 0.478 5.463 4.350 1.059 0.000 0.255 293 T C 0.809 175.526 174.700 0.028 0.000 1.035 293 T CA 0.973 63.095 62.100 0.036 0.000 0.941 293 T CB 0.304 69.190 68.868 0.031 0.000 1.026 293 T HN 0.739 nan 8.240 nan 0.000 0.533 294 Q N 1.522 121.334 119.800 0.021 0.000 2.332 294 Q HA 0.501 5.477 4.340 1.059 0.000 0.263 294 Q C 1.094 177.107 176.000 0.021 0.000 0.979 294 Q CA 0.382 56.196 55.803 0.017 0.000 0.885 294 Q CB 0.724 29.467 28.738 0.008 0.000 1.218 294 Q HN 0.588 nan 8.270 nan 0.000 0.405 295 G N 1.744 110.559 108.800 0.025 0.000 2.645 295 G HA2 -0.282 4.313 3.960 1.059 0.000 0.246 295 G HA3 -0.282 4.313 3.960 1.059 0.000 0.246 295 G C -0.729 174.191 174.900 0.034 0.000 1.322 295 G CA -0.216 44.902 45.100 0.029 0.000 0.898 295 G HN 0.641 nan 8.290 nan 0.000 0.573 296 Q N -1.468 118.355 119.800 0.038 0.000 2.683 296 Q HA 0.724 5.699 4.340 1.059 0.000 0.302 296 Q C -0.631 175.401 176.000 0.054 0.000 1.042 296 Q CA -1.169 54.661 55.803 0.045 0.000 0.773 296 Q CB 1.819 30.581 28.738 0.041 0.000 1.508 296 Q HN 0.451 nan 8.270 nan 0.000 0.459 297 I N 1.927 122.533 120.570 0.061 0.000 2.361 297 I HA 0.275 5.080 4.170 1.059 0.000 0.282 297 I C -0.064 176.084 176.117 0.052 0.000 1.075 297 I CA -0.265 61.078 61.300 0.071 0.000 1.205 297 I CB 0.349 38.403 38.000 0.089 0.000 1.406 297 I HN 0.537 nan 8.210 nan 0.000 0.481 298 R N 4.587 125.115 120.500 0.047 0.000 2.522 298 R HA 0.114 5.089 4.340 1.059 0.000 0.284 298 R C 0.843 177.163 176.300 0.032 0.000 1.032 298 R CA 0.048 56.172 56.100 0.039 0.000 1.049 298 R CB 0.825 31.150 30.300 0.041 0.000 0.956 298 R HN 0.577 nan 8.270 nan 0.000 0.422 299 L N 2.264 123.503 121.223 0.027 0.000 2.127 299 L HA 0.018 4.993 4.340 1.059 0.000 0.203 299 L C 0.853 177.734 176.870 0.018 0.000 1.080 299 L CA 0.538 55.390 54.840 0.020 0.000 0.768 299 L CB -0.242 41.828 42.059 0.017 0.000 0.924 299 L HN 0.570 nan 8.230 nan 0.000 0.444 300 N N -0.709 118.004 118.700 0.021 0.000 2.479 300 N HA 0.118 5.493 4.740 1.059 0.000 0.261 300 N C 0.438 175.965 175.510 0.029 0.000 0.979 300 N CA -0.444 52.618 53.050 0.021 0.000 0.930 300 N CB 1.436 39.932 38.487 0.015 0.000 1.172 300 N HN -0.008 nan 8.380 nan 0.000 0.499 301 c N 2.542 121.163 118.600 0.036 0.000 2.409 301 c HA -0.003 5.202 4.570 1.059 0.000 0.288 301 c C 2.087 176.204 174.090 0.045 0.000 1.395 301 c CA 0.467 56.824 56.329 0.048 0.000 1.792 301 c CB -0.945 41.603 42.510 0.064 0.000 1.847 301 c HN 0.695 nan 8.230 nan 0.000 0.534 302 R N 0.293 120.811 120.500 0.030 0.000 2.246 302 R HA 0.117 5.092 4.340 1.059 0.000 0.199 302 R C 0.445 176.760 176.300 0.025 0.000 0.984 302 R CA 0.599 56.707 56.100 0.013 0.000 1.015 302 R CB 0.109 30.404 30.300 -0.008 0.000 0.930 302 R HN 0.559 nan 8.270 nan 0.000 0.475 303 V N -3.411 116.523 119.914 0.033 0.000 2.971 303 V HA 0.442 5.197 4.120 1.059 0.000 0.309 303 V C 0.011 176.137 176.094 0.053 0.000 1.130 303 V CA -1.302 61.024 62.300 0.043 0.000 0.964 303 V CB 2.101 33.933 31.823 0.014 0.000 1.029 303 V HN -0.298 nan 8.190 nan 0.000 0.427 304 V N 3.018 122.978 119.914 0.076 0.000 2.843 304 V HA 0.209 4.964 4.120 1.059 0.000 0.305 304 V C 0.706 176.826 176.094 0.042 0.000 1.065 304 V CA -0.187 62.153 62.300 0.066 0.000 1.116 304 V CB 0.553 32.432 31.823 0.093 0.000 0.968 304 V HN 1.001 nan 8.190 nan 0.000 0.487 305 N N 2.300 121.022 118.700 0.036 0.000 2.492 305 N HA 0.202 5.578 4.740 1.059 0.000 0.260 305 N C 0.068 175.592 175.510 0.023 0.000 1.215 305 N CA 0.065 53.131 53.050 0.027 0.000 0.923 305 N CB 0.941 39.444 38.487 0.027 0.000 1.092 305 N HN 0.933 nan 8.380 nan 0.000 0.448 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.105 4.470 1.059 0.000 0.327 306 S CA 0.000 58.207 58.200 0.012 0.000 1.107 306 S CB 0.000 63.203 63.200 0.005 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517