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 1af2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHPRFQTAFA QLADNLQSAL EPILADKYFP ALLTGEQVSS LKSATGLDED DATA SEQUENCE ALAFALLPLA AACARTPLSN FNVGAIARGV SGTWYFGANM EFIGATMQQT DATA SEQUENCE VHAEQSAISH AWLSGEKALA AITVNYTPCG HCRQFMNELN SGLDLRIHLP DATA SEQUENCE GREAHALRDY LPDAFGPKDL EIKTLLMDEQ DHGYALTGDA LSQAAIAAAN DATA SEQUENCE RSHMPYSKSP SGVALECKDG RIFSGSYAEN AAFNPTLPPL QGALILLNLK DATA SEQUENCE GYDYPDIQRA VLAEKADAPL IQWDATSATL KALGCHSIDR VLLA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.061 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.543 32.600 -0.095 0.000 1.302 2 H N 4.899 124.011 119.070 0.069 0.000 2.848 2 H HA 0.222 4.778 4.556 0.000 0.000 0.341 2 H C -2.069 173.207 175.328 -0.087 0.000 1.060 2 H CA -0.505 55.500 56.048 -0.072 0.000 1.444 2 H CB 1.189 30.878 29.762 -0.121 0.000 1.446 2 H HN 0.353 nan 8.280 nan 0.000 0.583 3 P HA -0.207 nan 4.420 nan 0.000 0.218 3 P C 1.367 178.693 177.300 0.044 0.000 1.146 3 P CA 2.022 65.146 63.100 0.041 0.000 0.820 3 P CB 0.088 31.778 31.700 -0.017 0.000 0.778 4 R N -1.377 119.118 120.500 -0.007 0.000 2.081 4 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 4 R C 1.618 177.858 176.300 -0.100 0.000 1.131 4 R CA 1.582 57.572 56.100 -0.183 0.000 0.960 4 R CB -1.594 28.413 30.300 -0.488 0.000 0.856 4 R HN 0.127 nan 8.270 nan 0.000 0.436 5 F N 2.324 122.323 119.950 0.082 0.000 2.502 5 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 5 F C 2.793 178.658 175.800 0.109 0.000 1.111 5 F CA 0.470 58.531 58.000 0.102 0.000 1.445 5 F CB -0.653 38.406 39.000 0.098 0.000 1.081 5 F HN 0.151 nan 8.300 nan 0.000 0.558 6 Q N 0.943 120.879 119.800 0.227 0.000 2.061 6 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 6 Q C 1.612 177.724 176.000 0.187 0.000 0.984 6 Q CA 2.603 58.507 55.803 0.168 0.000 0.846 6 Q CB -0.747 28.044 28.738 0.088 0.000 0.902 6 Q HN 0.366 nan 8.270 nan 0.000 0.421 7 T N 1.255 115.896 114.554 0.145 0.000 2.812 7 T HA 0.086 4.436 4.350 -0.000 0.000 0.264 7 T C 1.990 176.773 174.700 0.138 0.000 1.042 7 T CA 1.471 63.642 62.100 0.118 0.000 1.140 7 T CB -0.488 68.426 68.868 0.077 0.000 0.870 7 T HN 0.476 nan 8.240 nan 0.000 0.445 8 A N 1.389 124.311 122.820 0.169 0.000 1.883 8 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 8 A C 2.030 179.711 177.584 0.163 0.000 1.186 8 A CA 1.500 53.632 52.037 0.158 0.000 0.624 8 A CB -1.096 18.029 19.000 0.207 0.000 0.822 8 A HN 0.464 nan 8.150 nan 0.000 0.444 9 F N 1.022 121.018 119.950 0.076 0.000 2.095 9 F HA -0.103 4.424 4.527 0.000 0.000 0.298 9 F C 2.494 178.308 175.800 0.023 0.000 1.104 9 F CA 1.423 59.444 58.000 0.036 0.000 1.232 9 F CB -0.409 38.614 39.000 0.038 0.000 0.987 9 F HN 0.240 nan 8.300 nan 0.000 0.475 10 A N -0.729 122.201 122.820 0.182 0.000 2.076 10 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 10 A C 1.927 179.487 177.584 -0.041 0.000 1.160 10 A CA 1.786 53.862 52.037 0.064 0.000 0.653 10 A CB -0.724 18.344 19.000 0.114 0.000 0.801 10 A HN 0.533 nan 8.150 nan 0.000 0.455 11 Q N -0.672 119.106 119.800 -0.037 0.000 2.319 11 Q HA 0.330 4.670 4.340 -0.000 0.000 0.202 11 Q C 0.178 176.127 176.000 -0.085 0.000 0.896 11 Q CA 0.036 55.813 55.803 -0.043 0.000 0.942 11 Q CB -0.352 28.383 28.738 -0.005 0.000 1.083 11 Q HN 0.644 nan 8.270 nan 0.000 0.510 12 L N 0.530 121.653 121.223 -0.167 0.000 2.453 12 L HA 0.453 4.793 4.340 -0.000 0.000 0.261 12 L C 0.419 177.186 176.870 -0.173 0.000 1.179 12 L CA -0.697 54.035 54.840 -0.180 0.000 0.813 12 L CB 0.419 42.312 42.059 -0.278 0.000 1.110 12 L HN 0.067 nan 8.230 nan 0.000 0.466 13 A N 0.772 123.519 122.820 -0.122 0.000 2.483 13 A HA -0.039 4.281 4.320 -0.000 0.000 0.238 13 A C 1.080 178.590 177.584 -0.124 0.000 1.070 13 A CA -0.131 51.848 52.037 -0.097 0.000 0.770 13 A CB 0.141 19.104 19.000 -0.061 0.000 1.008 13 A HN 0.953 nan 8.150 nan 0.000 0.497 14 D N 1.461 121.803 120.400 -0.097 0.000 2.106 14 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 14 D C 1.431 177.684 176.300 -0.080 0.000 0.997 14 D CA 2.063 56.008 54.000 -0.092 0.000 0.834 14 D CB -0.005 40.761 40.800 -0.057 0.000 0.956 14 D HN 0.768 nan 8.370 nan 0.000 0.448 15 N N 1.117 119.782 118.700 -0.058 0.000 2.381 15 N HA -0.157 4.583 4.740 -0.000 0.000 0.182 15 N C 2.284 177.762 175.510 -0.052 0.000 1.025 15 N CA 0.478 53.502 53.050 -0.044 0.000 0.888 15 N CB -1.065 37.403 38.487 -0.031 0.000 0.965 15 N HN 0.350 nan 8.380 nan 0.000 0.438 16 L N 0.186 121.364 121.223 -0.074 0.000 2.068 16 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 16 L C 2.522 179.327 176.870 -0.108 0.000 1.076 16 L CA 1.028 55.822 54.840 -0.078 0.000 0.753 16 L CB -0.266 41.742 42.059 -0.084 0.000 0.910 16 L HN 0.181 nan 8.230 nan 0.000 0.439 17 Q N -0.710 118.961 119.800 -0.215 0.000 2.077 17 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 17 Q C 2.247 178.246 176.000 -0.001 0.000 0.989 17 Q CA 2.086 57.682 55.803 -0.344 0.000 0.853 17 Q CB -0.151 28.284 28.738 -0.506 0.000 0.907 17 Q HN 0.481 nan 8.270 nan 0.000 0.418 18 S N 0.871 116.563 115.700 -0.013 0.000 2.353 18 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 18 S C 2.101 176.716 174.600 0.026 0.000 1.035 18 S CA 1.167 59.383 58.200 0.027 0.000 1.025 18 S CB -0.390 62.809 63.200 -0.002 0.000 0.902 18 S HN 0.531 nan 8.310 nan 0.000 0.440 19 A N 0.793 123.612 122.820 -0.001 0.000 2.019 19 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 19 A C 2.091 179.670 177.584 -0.009 0.000 1.164 19 A CA 1.062 53.092 52.037 -0.012 0.000 0.644 19 A CB -0.537 18.447 19.000 -0.027 0.000 0.805 19 A HN 0.455 nan 8.150 nan 0.000 0.449 20 L N -1.669 119.570 121.223 0.026 0.000 2.249 20 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 20 L C 2.430 179.311 176.870 0.019 0.000 1.090 20 L CA 0.864 55.716 54.840 0.020 0.000 0.802 20 L CB -0.326 41.782 42.059 0.082 0.000 0.947 20 L HN 0.467 nan 8.230 nan 0.000 0.453 21 E N 0.362 120.641 120.200 0.133 0.000 2.136 21 E HA -0.250 4.100 4.350 -0.000 0.000 0.202 21 E C -0.674 175.879 176.600 -0.078 0.000 1.019 21 E CA 1.887 58.299 56.400 0.020 0.000 0.819 21 E CB -0.565 29.204 29.700 0.116 0.000 0.739 21 E HN 0.397 nan 8.360 nan 0.000 0.458 22 P HA -0.182 nan 4.420 nan 0.000 0.215 22 P C 1.453 178.697 177.300 -0.093 0.000 1.157 22 P CA 1.402 64.465 63.100 -0.061 0.000 0.868 22 P CB -0.134 31.543 31.700 -0.040 0.000 0.788 23 I N -1.075 119.416 120.570 -0.132 0.000 2.142 23 I HA -0.205 3.964 4.170 -0.000 0.000 0.240 23 I C 2.137 178.057 176.117 -0.330 0.000 1.078 23 I CA 1.146 62.329 61.300 -0.195 0.000 1.343 23 I CB -0.715 37.138 38.000 -0.246 0.000 1.046 23 I HN -0.141 nan 8.210 nan 0.000 0.405 24 L N 0.790 121.752 121.223 -0.436 0.000 2.610 24 L HA 0.066 4.406 4.340 -0.000 0.000 0.232 24 L C 2.311 179.040 176.870 -0.235 0.000 1.149 24 L CA 0.780 55.327 54.840 -0.490 0.000 0.872 24 L CB -0.951 40.778 42.059 -0.550 0.000 0.992 24 L HN 0.128 nan 8.230 nan 0.000 0.447 25 A N -0.997 121.725 122.820 -0.164 0.000 1.858 25 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 25 A C 1.150 178.704 177.584 -0.049 0.000 1.190 25 A CA 1.033 53.005 52.037 -0.108 0.000 0.617 25 A CB -0.534 18.421 19.000 -0.076 0.000 0.827 25 A HN 0.392 nan 8.150 nan 0.000 0.443 26 D N -0.784 119.619 120.400 0.004 0.000 2.450 26 D HA 0.111 4.751 4.640 -0.000 0.000 0.247 26 D C 1.035 177.376 176.300 0.068 0.000 1.162 26 D CA 0.210 54.239 54.000 0.048 0.000 0.879 26 D CB 0.990 41.858 40.800 0.113 0.000 1.163 26 D HN 0.290 nan 8.370 nan 0.000 0.472 27 K N 2.871 123.227 120.400 -0.073 0.000 2.152 27 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 27 K C 0.376 176.867 176.600 -0.181 0.000 1.048 27 K CA 1.298 57.456 56.287 -0.216 0.000 0.933 27 K CB -0.129 32.029 32.500 -0.569 0.000 0.721 27 K HN 0.466 nan 8.250 nan 0.000 0.447 28 Y N 0.671 121.056 120.300 0.141 0.000 2.867 28 Y HA 0.184 4.734 4.550 -0.000 0.000 0.351 28 Y C -0.449 175.562 175.900 0.185 0.000 1.046 28 Y CA -1.737 56.446 58.100 0.137 0.000 1.520 28 Y CB -0.743 37.755 38.460 0.064 0.000 1.337 28 Y HN -0.017 nan 8.280 nan 0.000 0.525 29 F N 5.078 125.155 119.950 0.211 0.000 2.612 29 F HA 0.141 4.668 4.527 -0.000 0.000 0.389 29 F C -1.478 174.415 175.800 0.154 0.000 1.055 29 F CA -2.861 55.220 58.000 0.135 0.000 1.232 29 F CB 0.849 39.898 39.000 0.083 0.000 1.044 29 F HN 0.051 nan 8.300 nan 0.000 0.560 30 P HA 0.066 nan 4.420 nan 0.000 0.253 30 P C 0.163 177.131 177.300 -0.554 0.000 1.281 30 P CA 0.921 63.824 63.100 -0.328 0.000 0.792 30 P CB -0.440 31.201 31.700 -0.099 0.000 1.193 31 A N -0.358 121.629 122.820 -1.388 0.000 2.610 31 A HA -0.116 4.203 4.320 -0.000 0.000 0.299 31 A C -0.030 177.087 177.584 -0.778 0.000 1.487 31 A CA 1.107 52.449 52.037 -1.159 0.000 0.743 31 A CB -2.541 16.303 19.000 -0.260 0.000 1.070 31 A HN 0.572 nan 8.150 nan 0.000 0.439 32 L N -1.250 119.480 121.223 -0.822 0.000 2.653 32 L HA 0.850 5.190 4.340 -0.000 0.000 0.257 32 L C -1.505 175.227 176.870 -0.229 0.000 0.969 32 L CA -1.185 53.407 54.840 -0.413 0.000 0.869 32 L CB 1.564 43.436 42.059 -0.310 0.000 1.439 32 L HN 0.312 nan 8.230 nan 0.000 0.414 33 L N 2.602 123.744 121.223 -0.134 0.000 2.438 33 L HA 0.490 4.830 4.340 -0.000 0.000 0.270 33 L C 0.039 176.803 176.870 -0.177 0.000 0.972 33 L CA -0.549 54.244 54.840 -0.078 0.000 0.831 33 L CB 2.440 44.481 42.059 -0.030 0.000 1.273 33 L HN 0.800 nan 8.230 nan 0.000 0.405 34 T N -1.084 113.377 114.554 -0.156 0.000 2.766 34 T HA 0.195 4.545 4.350 -0.000 0.000 0.295 34 T C 1.420 175.997 174.700 -0.205 0.000 1.024 34 T CA 0.070 62.075 62.100 -0.158 0.000 1.018 34 T CB 1.480 70.288 68.868 -0.100 0.000 1.002 34 T HN 0.694 nan 8.240 nan 0.000 0.532 35 G N 0.181 108.881 108.800 -0.166 0.000 2.469 35 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 35 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 35 G C 1.278 176.076 174.900 -0.171 0.000 1.150 35 G CA 0.942 45.936 45.100 -0.177 0.000 0.763 35 G HN 0.892 nan 8.290 nan 0.000 0.561 36 E N 0.067 120.194 120.200 -0.123 0.000 2.051 36 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 36 E C 2.657 179.182 176.600 -0.124 0.000 0.991 36 E CA 1.193 57.532 56.400 -0.102 0.000 0.799 36 E CB -0.172 29.485 29.700 -0.071 0.000 0.748 36 E HN 0.520 nan 8.360 nan 0.000 0.449 37 Q N 0.198 119.915 119.800 -0.139 0.000 2.170 37 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 37 Q C 2.290 178.166 176.000 -0.208 0.000 0.976 37 Q CA 1.088 56.805 55.803 -0.143 0.000 0.858 37 Q CB 0.085 28.750 28.738 -0.121 0.000 0.907 37 Q HN 0.146 nan 8.270 nan 0.000 0.433 38 V N 0.028 119.748 119.914 -0.323 0.000 2.307 38 V HA -0.246 3.873 4.120 -0.000 0.000 0.245 38 V C 2.126 178.051 176.094 -0.283 0.000 1.045 38 V CA 1.846 63.866 62.300 -0.467 0.000 1.024 38 V CB -0.499 30.830 31.823 -0.823 0.000 0.651 38 V HN 0.296 nan 8.190 nan 0.000 0.449 39 S N 0.419 115.997 115.700 -0.204 0.000 2.365 39 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 39 S C 2.210 176.750 174.600 -0.101 0.000 1.039 39 S CA 1.948 60.072 58.200 -0.127 0.000 1.033 39 S CB -0.405 62.737 63.200 -0.096 0.000 0.887 39 S HN 0.632 nan 8.310 nan 0.000 0.447 40 S N 1.418 117.059 115.700 -0.099 0.000 2.368 40 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 40 S C 1.746 176.302 174.600 -0.073 0.000 1.030 40 S CA 0.792 58.947 58.200 -0.075 0.000 0.999 40 S CB -0.394 62.764 63.200 -0.070 0.000 0.844 40 S HN 0.185 nan 8.310 nan 0.000 0.459 41 L N 1.643 122.808 121.223 -0.096 0.000 2.046 41 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 41 L C 2.127 178.960 176.870 -0.062 0.000 1.077 41 L CA 1.677 56.469 54.840 -0.080 0.000 0.747 41 L CB -0.777 41.218 42.059 -0.108 0.000 0.896 41 L HN 0.203 nan 8.230 nan 0.000 0.432 42 K N -1.275 119.080 120.400 -0.074 0.000 2.025 42 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 42 K C 2.129 178.709 176.600 -0.033 0.000 1.049 42 K CA 1.543 57.803 56.287 -0.045 0.000 0.933 42 K CB -0.214 32.255 32.500 -0.051 0.000 0.714 42 K HN 0.182 nan 8.250 nan 0.000 0.438 43 S N 0.921 116.598 115.700 -0.038 0.000 2.382 43 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 43 S C 2.083 176.668 174.600 -0.025 0.000 1.027 43 S CA 1.302 59.485 58.200 -0.029 0.000 0.991 43 S CB -0.222 62.960 63.200 -0.031 0.000 0.823 43 S HN 0.436 nan 8.310 nan 0.000 0.469 44 A N 1.048 123.850 122.820 -0.029 0.000 2.066 44 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 44 A C 2.219 179.790 177.584 -0.021 0.000 1.157 44 A CA 1.718 53.740 52.037 -0.025 0.000 0.670 44 A CB -0.548 18.435 19.000 -0.028 0.000 0.804 44 A HN 0.626 nan 8.150 nan 0.000 0.453 45 T N -6.736 107.807 114.554 -0.019 0.000 2.964 45 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 45 T C 1.477 176.174 174.700 -0.005 0.000 0.982 45 T CA 1.079 63.172 62.100 -0.013 0.000 0.959 45 T CB 0.313 69.175 68.868 -0.010 0.000 1.141 45 T HN 1.605 nan 8.240 nan 0.000 0.494 46 G N 1.362 110.159 108.800 -0.004 0.000 2.176 46 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.253 46 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.253 46 G C -0.172 174.735 174.900 0.012 0.000 0.979 46 G CA 0.049 45.150 45.100 0.002 0.000 0.641 46 G HN 0.549 nan 8.290 nan 0.000 0.530 47 L N 2.385 123.618 121.223 0.017 0.000 2.461 47 L HA 0.436 4.776 4.340 -0.000 0.000 0.272 47 L C 0.919 177.812 176.870 0.038 0.000 1.197 47 L CA -0.427 54.434 54.840 0.035 0.000 0.836 47 L CB 0.587 42.673 42.059 0.047 0.000 1.105 47 L HN 0.464 nan 8.230 nan 0.000 0.477 48 D N 1.294 121.725 120.400 0.052 0.000 2.451 48 D HA 0.082 4.722 4.640 -0.000 0.000 0.259 48 D C 0.704 177.054 176.300 0.085 0.000 1.201 48 D CA -0.467 53.566 54.000 0.055 0.000 1.028 48 D CB 0.423 41.255 40.800 0.053 0.000 1.095 48 D HN 0.546 nan 8.370 nan 0.000 0.539 49 E N -0.607 119.657 120.200 0.106 0.000 2.070 49 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 49 E C 1.240 177.895 176.600 0.091 0.000 1.004 49 E CA 1.652 58.185 56.400 0.221 0.000 0.805 49 E CB 0.012 29.853 29.700 0.235 0.000 0.744 49 E HN 0.452 nan 8.360 nan 0.000 0.451 50 D N 0.041 120.392 120.400 -0.083 0.000 2.117 50 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 50 D C 1.781 177.943 176.300 -0.230 0.000 0.987 50 D CA 1.323 55.134 54.000 -0.315 0.000 0.829 50 D CB -0.271 40.416 40.800 -0.189 0.000 0.961 50 D HN 0.187 nan 8.370 nan 0.000 0.460 51 A N 0.391 123.243 122.820 0.053 0.000 2.014 51 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 51 A C 2.069 179.741 177.584 0.147 0.000 1.163 51 A CA 0.561 52.716 52.037 0.198 0.000 0.652 51 A CB -0.426 18.671 19.000 0.162 0.000 0.808 51 A HN 0.208 nan 8.150 nan 0.000 0.449 52 L N -0.135 121.161 121.223 0.122 0.000 2.027 52 L HA 0.020 4.360 4.340 -0.000 0.000 0.206 52 L C 2.636 179.618 176.870 0.186 0.000 1.074 52 L CA 2.144 57.086 54.840 0.169 0.000 0.745 52 L CB -0.948 41.239 42.059 0.214 0.000 0.898 52 L HN 0.309 nan 8.230 nan 0.000 0.433 53 A N -0.584 122.288 122.820 0.086 0.000 1.892 53 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 53 A C 2.118 179.596 177.584 -0.177 0.000 1.188 53 A CA 2.209 54.124 52.037 -0.204 0.000 0.631 53 A CB -1.198 17.379 19.000 -0.705 0.000 0.822 53 A HN 0.473 nan 8.150 nan 0.000 0.447 54 F N 0.131 120.054 119.950 -0.046 0.000 2.134 54 F HA -0.102 4.424 4.527 -0.000 0.000 0.299 54 F C 2.813 178.600 175.800 -0.022 0.000 1.097 54 F CA 0.675 58.654 58.000 -0.036 0.000 1.264 54 F CB -0.944 38.044 39.000 -0.020 0.000 1.001 54 F HN 0.263 nan 8.300 nan 0.000 0.479 55 A N -0.164 122.765 122.820 0.182 0.000 1.972 55 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 55 A C 2.220 179.840 177.584 0.060 0.000 1.169 55 A CA 1.234 53.332 52.037 0.102 0.000 0.635 55 A CB -0.990 18.059 19.000 0.082 0.000 0.810 55 A HN 0.407 nan 8.150 nan 0.000 0.446 56 L N -0.662 120.595 121.223 0.056 0.000 2.395 56 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 56 L C 2.173 178.979 176.870 -0.108 0.000 1.130 56 L CA 0.159 55.002 54.840 0.004 0.000 0.826 56 L CB -0.386 41.714 42.059 0.069 0.000 0.941 56 L HN 0.356 nan 8.230 nan 0.000 0.451 57 L N 0.231 121.409 121.223 -0.076 0.000 2.129 57 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 57 L C -0.247 176.587 176.870 -0.060 0.000 1.087 57 L CA 1.516 56.300 54.840 -0.093 0.000 0.757 57 L CB -1.623 40.440 42.059 0.007 0.000 0.896 57 L HN 0.248 nan 8.230 nan 0.000 0.434 58 P HA -0.184 nan 4.420 nan 0.000 0.218 58 P C 1.813 179.160 177.300 0.079 0.000 1.148 58 P CA 1.334 64.450 63.100 0.027 0.000 0.822 58 P CB 0.084 31.806 31.700 0.038 0.000 0.784 59 L N -1.415 119.854 121.223 0.077 0.000 2.109 59 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 59 L C 2.468 179.505 176.870 0.278 0.000 1.086 59 L CA 1.335 56.321 54.840 0.243 0.000 0.760 59 L CB -1.173 41.000 42.059 0.190 0.000 0.910 59 L HN -0.054 nan 8.230 nan 0.000 0.437 60 A N 0.356 123.104 122.820 -0.119 0.000 1.902 60 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 60 A C 2.504 180.133 177.584 0.075 0.000 1.181 60 A CA 1.719 53.710 52.037 -0.075 0.000 0.623 60 A CB -0.653 18.139 19.000 -0.347 0.000 0.818 60 A HN 0.383 nan 8.150 nan 0.000 0.443 61 A N -0.332 122.501 122.820 0.021 0.000 2.015 61 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 61 A C 2.333 179.934 177.584 0.028 0.000 1.163 61 A CA 1.645 53.685 52.037 0.005 0.000 0.646 61 A CB -0.776 18.206 19.000 -0.031 0.000 0.806 61 A HN 1.056 nan 8.150 nan 0.000 0.448 62 A N -1.292 121.586 122.820 0.096 0.000 2.121 62 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 62 A C 1.850 179.423 177.584 -0.018 0.000 1.154 62 A CA 1.426 53.508 52.037 0.075 0.000 0.679 62 A CB -0.991 18.136 19.000 0.211 0.000 0.795 62 A HN 0.599 nan 8.150 nan 0.000 0.458 63 C N -0.231 119.089 119.300 0.034 0.000 2.626 63 C HA 0.520 4.980 4.460 -0.000 0.000 0.266 63 C C 1.573 176.535 174.990 -0.046 0.000 1.317 63 C CA -0.675 58.318 59.018 -0.042 0.000 1.716 63 C CB -1.977 25.805 27.740 0.070 0.000 1.819 63 C HN 0.649 nan 8.230 nan 0.000 0.578 64 A N 1.380 124.179 122.820 -0.036 0.000 2.425 64 A HA 0.480 4.800 4.320 -0.000 0.000 0.249 64 A C 0.270 177.815 177.584 -0.065 0.000 1.084 64 A CA 0.328 52.334 52.037 -0.051 0.000 0.781 64 A CB 0.298 19.261 19.000 -0.061 0.000 1.019 64 A HN 0.460 nan 8.150 nan 0.000 0.490 65 R N 2.484 122.940 120.500 -0.073 0.000 2.332 65 R HA 0.283 4.623 4.340 -0.000 0.000 0.306 65 R C -0.407 175.835 176.300 -0.096 0.000 1.117 65 R CA 0.061 56.123 56.100 -0.063 0.000 1.108 65 R CB 0.377 30.663 30.300 -0.024 0.000 1.126 65 R HN 0.790 nan 8.270 nan 0.000 0.548 66 T N -1.517 112.996 114.554 -0.068 0.000 3.444 66 T HA 0.229 4.579 4.350 -0.000 0.000 0.265 66 T C -1.353 173.320 174.700 -0.046 0.000 1.537 66 T CA -1.340 60.717 62.100 -0.072 0.000 1.530 66 T CB 1.122 69.960 68.868 -0.050 0.000 0.958 66 T HN 0.155 nan 8.240 nan 0.000 0.684 67 P HA -0.045 nan 4.420 nan 0.000 0.219 67 P C 1.347 178.633 177.300 -0.023 0.000 1.146 67 P CA 0.548 63.638 63.100 -0.017 0.000 0.808 67 P CB 0.361 32.061 31.700 0.000 0.000 0.779 68 L N 0.069 121.267 121.223 -0.042 0.000 2.084 68 L HA -0.051 4.289 4.340 -0.000 0.000 0.202 68 L C 2.866 179.715 176.870 -0.035 0.000 1.074 68 L CA 1.918 56.734 54.840 -0.040 0.000 0.757 68 L CB -0.910 41.116 42.059 -0.055 0.000 0.918 68 L HN 0.061 nan 8.230 nan 0.000 0.444 69 S N -1.262 114.417 115.700 -0.035 0.000 2.439 69 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 69 S C 1.077 175.697 174.600 0.032 0.000 1.029 69 S CA 0.494 58.684 58.200 -0.016 0.000 0.946 69 S CB -0.478 62.712 63.200 -0.017 0.000 0.797 69 S HN 0.529 nan 8.310 nan 0.000 0.504 70 N N -0.447 118.270 118.700 0.027 0.000 2.725 70 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 70 N C -0.913 174.643 175.510 0.076 0.000 1.103 70 N CA 0.400 53.468 53.050 0.031 0.000 0.707 70 N CB -1.505 36.995 38.487 0.022 0.000 1.043 70 N HN 0.569 nan 8.380 nan 0.000 0.553 71 F N 1.223 121.113 119.950 -0.100 0.000 2.359 71 F HA 0.474 5.001 4.527 -0.000 0.000 0.369 71 F C -0.533 175.191 175.800 -0.126 0.000 1.084 71 F CA -0.891 57.032 58.000 -0.128 0.000 1.096 71 F CB 0.401 39.298 39.000 -0.172 0.000 1.335 71 F HN -0.049 nan 8.300 nan 0.000 0.457 72 N N 4.111 122.615 118.700 -0.326 0.000 2.422 72 N HA 0.464 5.203 4.740 -0.000 0.000 0.264 72 N C -1.162 174.146 175.510 -0.338 0.000 1.063 72 N CA -0.211 52.693 53.050 -0.245 0.000 0.959 72 N CB 1.809 40.206 38.487 -0.151 0.000 1.087 72 N HN 0.243 nan 8.380 nan 0.000 0.483 73 V N 0.696 120.480 119.914 -0.215 0.000 2.555 73 V HA 0.803 4.922 4.120 -0.000 0.000 0.302 73 V C 0.610 176.670 176.094 -0.057 0.000 1.038 73 V CA -0.871 61.336 62.300 -0.155 0.000 0.887 73 V CB 1.788 33.562 31.823 -0.083 0.000 0.991 73 V HN 0.715 nan 8.190 nan 0.000 0.434 74 G N 2.350 111.132 108.800 -0.030 0.000 2.448 74 G HA2 0.818 4.778 3.960 -0.000 0.000 0.324 74 G HA3 0.818 4.778 3.960 -0.000 0.000 0.324 74 G C -0.895 174.005 174.900 -0.000 0.000 1.203 74 G CA -0.298 44.794 45.100 -0.014 0.000 0.954 74 G HN 1.140 nan 8.290 nan 0.000 0.480 75 A N 1.369 124.196 122.820 0.012 0.000 2.498 75 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 75 A C -1.098 176.490 177.584 0.007 0.000 1.075 75 A CA -0.593 51.454 52.037 0.017 0.000 0.714 75 A CB 1.509 20.548 19.000 0.065 0.000 1.299 75 A HN 0.588 nan 8.150 nan 0.000 0.407 76 I N 1.577 122.120 120.570 -0.045 0.000 2.439 76 I HA 0.497 4.667 4.170 -0.000 0.000 0.285 76 I C 0.347 176.427 176.117 -0.062 0.000 1.021 76 I CA -0.290 60.985 61.300 -0.041 0.000 1.091 76 I CB 0.979 38.841 38.000 -0.230 0.000 1.242 76 I HN 0.775 nan 8.210 nan 0.000 0.439 77 A N 7.554 130.422 122.820 0.080 0.000 2.301 77 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 77 A C 0.031 177.654 177.584 0.065 0.000 1.185 77 A CA -0.619 51.460 52.037 0.070 0.000 0.830 77 A CB 0.584 19.674 19.000 0.150 0.000 1.112 77 A HN 0.701 nan 8.150 nan 0.000 0.508 78 R N 2.394 122.859 120.500 -0.058 0.000 2.288 78 R HA 0.438 4.778 4.340 -0.000 0.000 0.326 78 R C 0.534 176.914 176.300 0.133 0.000 0.959 78 R CA -0.265 55.797 56.100 -0.063 0.000 0.834 78 R CB 1.702 31.804 30.300 -0.331 0.000 1.157 78 R HN 0.824 nan 8.270 nan 0.000 0.470 79 G N 0.661 109.633 108.800 0.286 0.000 2.569 79 G HA2 0.071 4.031 3.960 -0.000 0.000 0.249 79 G HA3 0.071 4.031 3.960 -0.000 0.000 0.249 79 G C 0.874 175.889 174.900 0.192 0.000 1.216 79 G CA -0.617 44.649 45.100 0.277 0.000 0.845 79 G HN 0.403 nan 8.290 nan 0.000 0.568 80 V N 1.082 121.084 119.914 0.146 0.000 2.809 80 V HA -0.136 3.983 4.120 -0.000 0.000 0.256 80 V C 2.939 179.097 176.094 0.107 0.000 1.080 80 V CA 2.378 64.742 62.300 0.108 0.000 1.102 80 V CB -0.236 31.635 31.823 0.080 0.000 0.705 80 V HN 0.892 nan 8.190 nan 0.000 0.475 81 S N -0.394 115.381 115.700 0.125 0.000 2.453 81 S HA 0.103 4.573 4.470 -0.000 0.000 0.231 81 S C 1.711 176.360 174.600 0.081 0.000 1.005 81 S CA 1.202 59.461 58.200 0.098 0.000 0.949 81 S CB 0.333 63.599 63.200 0.110 0.000 0.774 81 S HN 1.220 nan 8.310 nan 0.000 0.510 82 G N 0.015 108.886 108.800 0.119 0.000 2.218 82 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 82 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 82 G C 0.160 175.113 174.900 0.087 0.000 0.994 82 G CA -0.009 45.153 45.100 0.102 0.000 0.637 82 G HN 0.645 nan 8.290 nan 0.000 0.505 83 T N 1.357 115.948 114.554 0.063 0.000 2.884 83 T HA 0.453 4.803 4.350 -0.000 0.000 0.298 83 T C -0.432 174.302 174.700 0.056 0.000 0.998 83 T CA 0.224 62.262 62.100 -0.103 0.000 1.124 83 T CB 1.005 69.678 68.868 -0.325 0.000 0.931 83 T HN 0.251 nan 8.240 nan 0.000 0.531 84 W N 2.703 123.814 121.300 -0.315 0.000 2.433 84 W HA 0.484 5.144 4.660 -0.000 0.000 0.315 84 W C -0.934 175.420 176.519 -0.275 0.000 1.087 84 W CA -1.491 55.772 57.345 -0.138 0.000 1.205 84 W CB 0.137 29.608 29.460 0.018 0.000 1.288 84 W HN 0.591 nan 8.180 nan 0.000 0.504 85 Y N 3.483 123.903 120.300 0.199 0.000 2.335 85 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 85 Y C 0.196 176.317 175.900 0.368 0.000 0.977 85 Y CA -1.143 56.981 58.100 0.040 0.000 1.114 85 Y CB 0.656 38.982 38.460 -0.223 0.000 1.182 85 Y HN 0.082 nan 8.280 nan 0.000 0.463 86 F N 1.367 121.516 119.950 0.332 0.000 2.399 86 F HA 0.663 5.190 4.527 0.000 0.000 0.313 86 F C 0.864 176.870 175.800 0.344 0.000 1.202 86 F CA -1.323 56.856 58.000 0.299 0.000 1.192 86 F CB 0.785 39.948 39.000 0.272 0.000 1.256 86 F HN 0.525 nan 8.300 nan 0.000 0.558 87 G N -0.740 108.297 108.800 0.395 0.000 2.732 87 G HA2 0.703 4.663 3.960 -0.000 0.000 0.296 87 G HA3 0.703 4.663 3.960 -0.000 0.000 0.296 87 G C -2.197 172.798 174.900 0.157 0.000 1.448 87 G CA -0.294 44.958 45.100 0.254 0.000 0.911 87 G HN 0.865 nan 8.290 nan 0.000 0.528 88 A N 1.222 124.105 122.820 0.105 0.000 2.606 88 A HA 0.817 5.137 4.320 -0.000 0.000 0.293 88 A C -0.496 177.099 177.584 0.018 0.000 1.082 88 A CA -0.901 51.167 52.037 0.052 0.000 0.685 88 A CB 1.504 20.532 19.000 0.046 0.000 1.284 88 A HN 1.228 nan 8.150 nan 0.000 0.408 89 N N 0.611 119.296 118.700 -0.024 0.000 2.503 89 N HA 0.554 5.293 4.740 -0.000 0.000 0.267 89 N C -0.682 174.762 175.510 -0.109 0.000 1.214 89 N CA 0.179 53.188 53.050 -0.069 0.000 0.959 89 N CB 0.686 39.102 38.487 -0.119 0.000 1.142 89 N HN 0.654 nan 8.380 nan 0.000 0.455 90 M N 0.493 119.987 119.600 -0.177 0.000 2.386 90 M HA 0.314 4.794 4.480 -0.000 0.000 0.293 90 M C -1.015 174.909 176.300 -0.627 0.000 1.120 90 M CA -0.484 54.609 55.300 -0.345 0.000 0.909 90 M CB 2.730 35.158 32.600 -0.286 0.000 1.661 90 M HN 0.473 nan 8.290 nan 0.000 0.452 91 E N 1.991 121.776 120.200 -0.691 0.000 2.222 91 E HA 0.597 4.947 4.350 -0.000 0.000 0.267 91 E C -1.691 174.481 176.600 -0.713 0.000 0.884 91 E CA -0.571 55.463 56.400 -0.610 0.000 0.764 91 E CB 2.350 31.886 29.700 -0.273 0.000 1.169 91 E HN 0.375 nan 8.360 nan 0.000 0.413 92 F N 2.641 122.562 119.950 -0.049 0.000 2.434 92 F HA 0.316 4.843 4.527 -0.000 0.000 0.355 92 F C 0.021 175.772 175.800 -0.081 0.000 1.115 92 F CA -1.041 56.901 58.000 -0.096 0.000 1.010 92 F CB 0.540 39.455 39.000 -0.142 0.000 1.234 92 F HN 0.254 nan 8.300 nan 0.000 0.439 93 I N 2.918 123.529 120.570 0.068 0.000 2.752 93 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 93 I C 1.389 177.520 176.117 0.024 0.000 1.197 93 I CA 0.847 62.166 61.300 0.032 0.000 1.432 93 I CB -0.264 37.750 38.000 0.024 0.000 1.359 93 I HN 0.932 nan 8.210 nan 0.000 0.571 94 G N 4.074 112.880 108.800 0.010 0.000 2.195 94 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.246 94 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.246 94 G C 0.410 175.301 174.900 -0.015 0.000 0.984 94 G CA 0.415 45.511 45.100 -0.008 0.000 0.633 94 G HN 1.002 nan 8.290 nan 0.000 0.525 95 A N -0.668 122.157 122.820 0.008 0.000 3.687 95 A HA 0.995 5.315 4.320 -0.000 0.000 0.164 95 A C 0.816 178.408 177.584 0.012 0.000 1.564 95 A CA 1.050 53.087 52.037 -0.001 0.000 0.896 95 A CB 0.227 19.237 19.000 0.017 0.000 1.731 95 A HN 1.692 nan 8.150 nan 0.000 0.607 96 T N -3.937 110.630 114.554 0.022 0.000 2.927 96 T HA 0.470 4.820 4.350 -0.000 0.000 0.286 96 T C 0.699 175.417 174.700 0.030 0.000 1.040 96 T CA -0.227 61.883 62.100 0.016 0.000 1.010 96 T CB 1.018 69.890 68.868 0.007 0.000 1.177 96 T HN 0.289 nan 8.240 nan 0.000 0.546 97 M N 0.229 119.835 119.600 0.010 0.000 2.229 97 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 97 M C 1.983 178.289 176.300 0.011 0.000 1.063 97 M CA 1.500 56.799 55.300 -0.000 0.000 1.114 97 M CB -1.214 31.376 32.600 -0.016 0.000 1.387 97 M HN 0.689 nan 8.290 nan 0.000 0.420 98 Q N -0.413 119.399 119.800 0.019 0.000 2.500 98 Q HA -0.049 4.291 4.340 -0.000 0.000 0.213 98 Q C 1.507 177.547 176.000 0.066 0.000 0.974 98 Q CA 0.843 56.664 55.803 0.031 0.000 0.918 98 Q CB -0.122 28.637 28.738 0.034 0.000 0.980 98 Q HN 0.456 nan 8.270 nan 0.000 0.505 99 Q N -0.777 119.079 119.800 0.093 0.000 2.356 99 Q HA 0.121 4.461 4.340 -0.000 0.000 0.205 99 Q C 0.025 176.186 176.000 0.268 0.000 0.901 99 Q CA 0.250 56.150 55.803 0.160 0.000 0.938 99 Q CB 0.363 29.192 28.738 0.153 0.000 1.081 99 Q HN 0.243 nan 8.270 nan 0.000 0.517 100 T N 1.004 115.650 114.554 0.153 0.000 2.937 100 T HA 0.175 4.525 4.350 -0.000 0.000 0.316 100 T C 0.172 174.956 174.700 0.141 0.000 1.079 100 T CA 0.144 62.284 62.100 0.067 0.000 1.131 100 T CB 1.081 69.942 68.868 -0.011 0.000 1.000 100 T HN -0.155 nan 8.240 nan 0.000 0.549 101 V N 3.876 123.836 119.914 0.077 0.000 2.495 101 V HA 0.284 4.404 4.120 -0.000 0.000 0.298 101 V C 0.195 176.346 176.094 0.096 0.000 1.031 101 V CA -0.894 61.487 62.300 0.134 0.000 0.871 101 V CB 1.301 33.200 31.823 0.126 0.000 0.988 101 V HN 0.856 nan 8.190 nan 0.000 0.432 102 H N 2.533 121.605 119.070 0.003 0.000 2.505 102 H HA 0.317 4.873 4.556 -0.000 0.000 0.351 102 H C 1.208 176.545 175.328 0.015 0.000 1.151 102 H CA -0.021 56.038 56.048 0.018 0.000 1.339 102 H CB 2.100 31.903 29.762 0.068 0.000 1.483 102 H HN 0.780 nan 8.280 nan 0.000 0.558 103 A N 3.128 126.004 122.820 0.092 0.000 1.948 103 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 103 A C 2.018 179.666 177.584 0.107 0.000 1.177 103 A CA 1.970 54.056 52.037 0.082 0.000 0.636 103 A CB -0.316 18.721 19.000 0.060 0.000 0.815 103 A HN 0.746 nan 8.150 nan 0.000 0.449 104 E N -0.255 120.018 120.200 0.122 0.000 2.106 104 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 104 E C 2.217 178.874 176.600 0.095 0.000 0.984 104 E CA 1.449 57.917 56.400 0.113 0.000 0.806 104 E CB -0.263 29.506 29.700 0.115 0.000 0.750 104 E HN 0.777 nan 8.360 nan 0.000 0.458 105 Q N -0.057 119.737 119.800 -0.010 0.000 2.123 105 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 105 Q C 2.280 178.291 176.000 0.019 0.000 0.966 105 Q CA 1.305 56.984 55.803 -0.205 0.000 0.845 105 Q CB -0.134 28.305 28.738 -0.498 0.000 0.907 105 Q HN 0.188 nan 8.270 nan 0.000 0.439 106 S N 0.560 116.302 115.700 0.071 0.000 2.353 106 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 106 S C 2.037 176.751 174.600 0.190 0.000 1.035 106 S CA 1.325 59.596 58.200 0.119 0.000 1.025 106 S CB -0.266 62.995 63.200 0.102 0.000 0.902 106 S HN 0.449 nan 8.310 nan 0.000 0.440 107 A N 1.259 124.201 122.820 0.202 0.000 1.902 107 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 107 A C 2.196 179.906 177.584 0.210 0.000 1.181 107 A CA 1.601 53.790 52.037 0.253 0.000 0.623 107 A CB -0.819 18.303 19.000 0.203 0.000 0.818 107 A HN 0.646 nan 8.150 nan 0.000 0.443 108 I N -0.284 120.405 120.570 0.199 0.000 2.252 108 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 108 I C 2.632 178.898 176.117 0.248 0.000 1.102 108 I CA 1.428 62.847 61.300 0.198 0.000 1.385 108 I CB -0.292 37.881 38.000 0.290 0.000 1.064 108 I HN 0.221 nan 8.210 nan 0.000 0.414 109 S N -0.825 115.067 115.700 0.320 0.000 2.382 109 S HA -0.250 4.220 4.470 -0.000 0.000 0.228 109 S C 1.923 176.693 174.600 0.283 0.000 1.027 109 S CA 1.158 59.597 58.200 0.399 0.000 0.991 109 S CB -0.574 62.832 63.200 0.342 0.000 0.823 109 S HN 0.529 nan 8.310 nan 0.000 0.469 110 H N 1.061 120.184 119.070 0.088 0.000 2.290 110 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 110 H C 2.324 177.506 175.328 -0.243 0.000 1.087 110 H CA 1.204 57.260 56.048 0.014 0.000 1.291 110 H CB -0.192 29.635 29.762 0.108 0.000 1.369 110 H HN 0.425 nan 8.280 nan 0.000 0.492 111 A N 0.750 123.291 122.820 -0.465 0.000 1.858 111 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 111 A C 2.233 179.641 177.584 -0.294 0.000 1.190 111 A CA 1.526 52.948 52.037 -1.025 0.000 0.617 111 A CB -1.395 17.205 19.000 -0.668 0.000 0.827 111 A HN 0.787 nan 8.150 nan 0.000 0.443 112 W N 0.717 121.903 121.300 -0.191 0.000 2.358 112 W HA -0.125 4.535 4.660 0.000 0.000 0.303 112 W C 1.698 178.200 176.519 -0.028 0.000 1.208 112 W CA 1.771 59.070 57.345 -0.078 0.000 1.274 112 W CB -0.570 28.876 29.460 -0.023 0.000 1.138 112 W HN 0.237 nan 8.180 nan 0.000 0.515 113 L N 0.273 121.393 121.223 -0.172 0.000 2.217 113 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 113 L C 2.366 179.161 176.870 -0.126 0.000 1.107 113 L CA 1.323 55.976 54.840 -0.313 0.000 0.783 113 L CB -0.933 41.024 42.059 -0.169 0.000 0.919 113 L HN -0.178 nan 8.230 nan 0.000 0.442 114 S N -0.305 115.376 115.700 -0.031 0.000 2.555 114 S HA 0.061 4.531 4.470 -0.000 0.000 0.230 114 S C 1.488 176.111 174.600 0.037 0.000 0.978 114 S CA 0.874 59.107 58.200 0.054 0.000 0.934 114 S CB 0.172 63.474 63.200 0.169 0.000 0.766 114 S HN 0.679 nan 8.310 nan 0.000 0.533 115 G N 1.374 110.168 108.800 -0.010 0.000 2.163 115 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.213 115 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.213 115 G C -0.171 174.772 174.900 0.072 0.000 0.991 115 G CA -0.084 45.030 45.100 0.023 0.000 0.653 115 G HN 0.434 nan 8.290 nan 0.000 0.518 116 E N 1.046 121.289 120.200 0.072 0.000 2.415 116 E HA 0.440 4.790 4.350 -0.000 0.000 0.263 116 E C 1.634 178.298 176.600 0.107 0.000 0.995 116 E CA 0.432 56.893 56.400 0.102 0.000 0.915 116 E CB 0.494 30.223 29.700 0.047 0.000 0.951 116 E HN 0.563 nan 8.360 nan 0.000 0.449 117 K N 2.626 123.083 120.400 0.095 0.000 2.400 117 K HA 0.386 4.706 4.320 -0.000 0.000 0.194 117 K C -0.052 176.578 176.600 0.050 0.000 1.033 117 K CA 0.386 56.718 56.287 0.077 0.000 1.021 117 K CB 0.506 33.042 32.500 0.061 0.000 0.808 117 K HN 0.285 nan 8.250 nan 0.000 0.505 118 A N 0.666 123.517 122.820 0.052 0.000 2.590 118 A HA 0.518 4.838 4.320 -0.000 0.000 0.294 118 A C -1.824 175.789 177.584 0.049 0.000 1.046 118 A CA -0.971 51.083 52.037 0.028 0.000 0.684 118 A CB 0.796 19.810 19.000 0.023 0.000 1.279 118 A HN 0.117 nan 8.150 nan 0.000 0.415 119 L N 0.828 122.071 121.223 0.033 0.000 2.330 119 L HA 0.715 5.055 4.340 -0.000 0.000 0.271 119 L C 1.220 178.117 176.870 0.044 0.000 1.013 119 L CA -0.256 54.614 54.840 0.051 0.000 0.816 119 L CB 2.040 44.121 42.059 0.036 0.000 1.287 119 L HN 1.027 nan 8.230 nan 0.000 0.435 120 A N 1.730 124.583 122.820 0.054 0.000 1.963 120 A HA 0.708 5.028 4.320 -0.000 0.000 0.207 120 A C 0.626 178.239 177.584 0.048 0.000 1.243 120 A CA 0.859 52.926 52.037 0.051 0.000 0.728 120 A CB 0.249 19.287 19.000 0.062 0.000 0.895 120 A HN 0.733 nan 8.150 nan 0.000 0.467 121 A N -1.256 121.580 122.820 0.028 0.000 2.588 121 A HA 0.692 5.012 4.320 -0.000 0.000 0.290 121 A C -1.640 175.940 177.584 -0.006 0.000 1.136 121 A CA -0.311 51.754 52.037 0.046 0.000 0.681 121 A CB 1.016 20.058 19.000 0.070 0.000 1.282 121 A HN 0.430 nan 8.150 nan 0.000 0.421 122 I N 0.643 121.232 120.570 0.031 0.000 2.656 122 I HA 0.581 4.751 4.170 -0.000 0.000 0.292 122 I C -1.030 175.082 176.117 -0.008 0.000 1.144 122 I CA 0.121 61.412 61.300 -0.015 0.000 1.038 122 I CB 2.106 40.120 38.000 0.024 0.000 1.244 122 I HN 0.667 nan 8.210 nan 0.000 0.420 123 T N 6.198 120.685 114.554 -0.112 0.000 2.807 123 T HA 0.745 5.095 4.350 -0.000 0.000 0.279 123 T C -0.540 174.136 174.700 -0.040 0.000 0.993 123 T CA -0.410 61.612 62.100 -0.130 0.000 0.970 123 T CB 1.930 70.543 68.868 -0.424 0.000 0.950 123 T HN 0.313 nan 8.240 nan 0.000 0.441 124 V N 3.129 123.077 119.914 0.057 0.000 3.007 124 V HA 0.432 4.552 4.120 -0.000 0.000 0.311 124 V C 0.556 176.726 176.094 0.125 0.000 1.120 124 V CA -1.171 61.173 62.300 0.073 0.000 0.980 124 V CB 2.281 34.148 31.823 0.073 0.000 1.033 124 V HN 0.930 nan 8.190 nan 0.000 0.429 125 N N 0.360 119.127 118.700 0.112 0.000 2.322 125 N HA 0.094 4.834 4.740 -0.000 0.000 0.194 125 N C -0.604 174.998 175.510 0.153 0.000 1.126 125 N CA 0.202 53.322 53.050 0.117 0.000 0.845 125 N CB 0.263 38.795 38.487 0.075 0.000 0.976 125 N HN 0.697 nan 8.380 nan 0.000 0.475 126 Y N -0.746 119.575 120.300 0.034 0.000 2.581 126 Y HA 0.278 4.828 4.550 0.000 0.000 0.337 126 Y C -0.333 175.607 175.900 0.066 0.000 1.108 126 Y CA -0.894 57.244 58.100 0.062 0.000 1.033 126 Y CB 1.815 40.330 38.460 0.092 0.000 1.318 126 Y HN -0.146 nan 8.280 nan 0.000 0.459 127 T N 6.547 121.161 114.554 0.100 0.000 2.928 127 T HA 0.215 4.565 4.350 -0.000 0.000 0.305 127 T C -2.486 172.303 174.700 0.147 0.000 1.035 127 T CA -0.957 61.190 62.100 0.077 0.000 1.145 127 T CB 0.176 69.078 68.868 0.057 0.000 0.963 127 T HN 0.342 nan 8.240 nan 0.000 0.545 128 P HA 0.240 nan 4.420 nan 0.000 0.275 128 P C 0.309 177.673 177.300 0.107 0.000 1.227 128 P CA -0.662 62.485 63.100 0.079 0.000 0.781 128 P CB 0.105 31.804 31.700 -0.002 0.000 0.906 129 C N 0.685 120.079 119.300 0.158 0.000 2.563 129 C HA 0.533 4.993 4.460 -0.000 0.000 0.358 129 C C 2.327 177.386 174.990 0.116 0.000 1.336 129 C CA 0.391 59.498 59.018 0.149 0.000 2.454 129 C CB -0.421 27.436 27.740 0.196 0.000 2.448 129 C HN 0.738 nan 8.230 nan 0.000 0.670 130 G N -0.672 108.192 108.800 0.107 0.000 2.432 130 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 130 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 130 G C 1.647 176.604 174.900 0.094 0.000 1.135 130 G CA 1.172 46.327 45.100 0.092 0.000 0.767 130 G HN 1.044 nan 8.290 nan 0.000 0.550 131 H N 0.098 119.158 119.070 -0.016 0.000 2.352 131 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 131 H C 2.271 177.583 175.328 -0.026 0.000 1.097 131 H CA 1.752 57.765 56.048 -0.059 0.000 1.311 131 H CB -0.286 29.360 29.762 -0.193 0.000 1.377 131 H HN 0.324 nan 8.280 nan 0.000 0.504 132 C N 0.865 120.136 119.300 -0.047 0.000 2.466 132 C HA 0.022 4.481 4.460 -0.000 0.000 0.278 132 C C 2.986 178.007 174.990 0.052 0.000 1.288 132 C CA 0.512 59.516 59.018 -0.022 0.000 1.722 132 C CB -0.753 27.023 27.740 0.059 0.000 2.017 132 C HN 0.589 nan 8.230 nan 0.000 0.488 133 R N 0.620 121.151 120.500 0.052 0.000 2.105 133 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 133 R C 2.192 178.524 176.300 0.053 0.000 1.135 133 R CA 1.572 57.708 56.100 0.059 0.000 0.967 133 R CB -0.382 29.966 30.300 0.080 0.000 0.861 133 R HN 0.468 nan 8.270 nan 0.000 0.442 134 Q N 0.279 120.106 119.800 0.046 0.000 2.083 134 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 134 Q C 1.652 177.666 176.000 0.022 0.000 0.969 134 Q CA 1.399 57.228 55.803 0.044 0.000 0.838 134 Q CB -0.278 28.489 28.738 0.049 0.000 0.900 134 Q HN 0.261 nan 8.270 nan 0.000 0.436 135 F N 0.152 120.010 119.950 -0.152 0.000 2.069 135 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 135 F C 1.900 177.638 175.800 -0.104 0.000 1.113 135 F CA 1.771 59.674 58.000 -0.161 0.000 1.214 135 F CB -0.239 38.620 39.000 -0.235 0.000 0.978 135 F HN 0.110 nan 8.300 nan 0.000 0.474 136 M N -0.323 119.278 119.600 0.002 0.000 2.202 136 M HA -0.278 4.202 4.480 -0.000 0.000 0.262 136 M C 1.859 178.089 176.300 -0.117 0.000 1.063 136 M CA 1.708 56.971 55.300 -0.061 0.000 1.097 136 M CB -0.763 31.851 32.600 0.023 0.000 1.382 136 M HN 0.253 nan 8.290 nan 0.000 0.413 137 N N 0.210 118.861 118.700 -0.082 0.000 2.571 137 N HA -0.139 4.601 4.740 -0.000 0.000 0.189 137 N C 1.304 176.740 175.510 -0.123 0.000 1.154 137 N CA 0.398 53.404 53.050 -0.074 0.000 0.907 137 N CB 0.242 38.716 38.487 -0.022 0.000 0.977 137 N HN 0.247 nan 8.380 nan 0.000 0.449 138 E N 0.204 120.272 120.200 -0.221 0.000 2.299 138 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 138 E C 0.300 176.716 176.600 -0.307 0.000 0.998 138 E CA 0.153 56.402 56.400 -0.253 0.000 0.851 138 E CB 0.202 29.671 29.700 -0.386 0.000 0.795 138 E HN 0.296 nan 8.360 nan 0.000 0.492 139 L N 1.876 122.912 121.223 -0.312 0.000 2.473 139 L HA 0.046 4.386 4.340 -0.000 0.000 0.268 139 L C 1.360 178.111 176.870 -0.199 0.000 1.215 139 L CA -0.097 54.567 54.840 -0.293 0.000 0.823 139 L CB 0.156 42.077 42.059 -0.230 0.000 1.099 139 L HN 0.169 nan 8.230 nan 0.000 0.483 140 N N -0.327 118.261 118.700 -0.186 0.000 2.443 140 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 140 N C 1.242 176.705 175.510 -0.079 0.000 1.037 140 N CA 1.205 54.183 53.050 -0.120 0.000 0.896 140 N CB -0.532 37.893 38.487 -0.103 0.000 0.959 140 N HN 0.641 nan 8.380 nan 0.000 0.442 141 S N -1.489 114.167 115.700 -0.073 0.000 2.561 141 S HA 0.271 4.741 4.470 -0.000 0.000 0.225 141 S C 1.465 176.043 174.600 -0.038 0.000 0.977 141 S CA 0.096 58.271 58.200 -0.042 0.000 0.926 141 S CB -1.041 62.141 63.200 -0.029 0.000 0.769 141 S HN 0.701 nan 8.310 nan 0.000 0.533 142 G N 2.470 111.236 108.800 -0.056 0.000 2.614 142 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.303 142 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.303 142 G C 0.462 175.348 174.900 -0.024 0.000 1.270 142 G CA 0.568 45.641 45.100 -0.046 0.000 0.988 142 G HN 0.514 nan 8.290 nan 0.000 0.551 143 L N 1.208 122.425 121.223 -0.010 0.000 2.591 143 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 143 L C 1.872 178.754 176.870 0.021 0.000 1.133 143 L CA 0.563 55.408 54.840 0.009 0.000 0.880 143 L CB -0.097 41.967 42.059 0.009 0.000 1.033 143 L HN 0.415 nan 8.230 nan 0.000 0.450 144 D N 0.204 120.611 120.400 0.013 0.000 2.347 144 D HA -0.001 4.639 4.640 -0.000 0.000 0.213 144 D C 0.927 177.244 176.300 0.028 0.000 0.985 144 D CA 0.187 54.199 54.000 0.020 0.000 0.879 144 D CB 0.321 41.128 40.800 0.012 0.000 0.919 144 D HN 0.112 nan 8.370 nan 0.000 0.526 145 L N 2.574 123.812 121.223 0.025 0.000 2.559 145 L HA -0.069 4.271 4.340 -0.000 0.000 0.282 145 L C 0.349 177.246 176.870 0.045 0.000 1.232 145 L CA 0.340 55.199 54.840 0.031 0.000 0.885 145 L CB 0.391 42.463 42.059 0.021 0.000 1.131 145 L HN -0.102 nan 8.230 nan 0.000 0.498 146 R N 5.345 125.871 120.500 0.043 0.000 2.346 146 R HA 0.538 4.878 4.340 -0.000 0.000 0.311 146 R C -0.971 175.333 176.300 0.007 0.000 0.983 146 R CA -0.908 55.197 56.100 0.009 0.000 0.880 146 R CB 0.846 31.121 30.300 -0.042 0.000 1.100 146 R HN 0.429 nan 8.270 nan 0.000 0.453 147 I N 2.624 123.179 120.570 -0.026 0.000 2.392 147 I HA 0.222 4.392 4.170 -0.000 0.000 0.295 147 I C 0.286 176.328 176.117 -0.126 0.000 0.985 147 I CA -0.367 60.919 61.300 -0.023 0.000 1.221 147 I CB 1.092 39.037 38.000 -0.092 0.000 1.366 147 I HN 0.374 nan 8.210 nan 0.000 0.467 148 H N 6.853 125.927 119.070 0.008 0.000 2.658 148 H HA 0.594 5.150 4.556 -0.000 0.000 0.337 148 H C -1.043 174.403 175.328 0.198 0.000 1.009 148 H CA -0.566 55.526 56.048 0.072 0.000 1.231 148 H CB 1.758 31.445 29.762 -0.125 0.000 1.508 148 H HN 0.327 nan 8.280 nan 0.000 0.517 149 L N 4.022 125.468 121.223 0.373 0.000 2.370 149 L HA 0.384 4.724 4.340 -0.000 0.000 0.266 149 L C -2.413 174.546 176.870 0.149 0.000 1.002 149 L CA -2.342 52.662 54.840 0.273 0.000 0.818 149 L CB 2.447 44.575 42.059 0.114 0.000 1.325 149 L HN 0.342 nan 8.230 nan 0.000 0.418 150 P HA 0.085 nan 4.420 nan 0.000 0.263 150 P C 0.748 177.886 177.300 -0.270 0.000 1.195 150 P CA 0.737 63.565 63.100 -0.454 0.000 0.762 150 P CB 0.704 32.225 31.700 -0.297 0.000 0.799 151 G N 2.081 110.697 108.800 -0.306 0.000 2.234 151 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 151 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 151 G C 0.398 175.256 174.900 -0.069 0.000 0.987 151 G CA -0.011 44.995 45.100 -0.157 0.000 0.625 151 G HN 0.511 nan 8.290 nan 0.000 0.532 152 R N 0.947 121.432 120.500 -0.026 0.000 2.700 152 R HA 0.649 4.989 4.340 -0.000 0.000 0.253 152 R C 0.460 176.780 176.300 0.032 0.000 1.091 152 R CA -0.406 55.723 56.100 0.048 0.000 1.104 152 R CB 0.410 30.794 30.300 0.141 0.000 1.202 152 R HN 0.477 nan 8.270 nan 0.000 0.532 153 E N 0.661 120.857 120.200 -0.008 0.000 2.248 153 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 153 E C -0.696 175.695 176.600 -0.348 0.000 1.008 153 E CA -0.841 55.485 56.400 -0.124 0.000 0.856 153 E CB 1.249 30.867 29.700 -0.135 0.000 1.120 153 E HN 0.546 nan 8.360 nan 0.000 0.397 154 A N 2.781 125.412 122.820 -0.315 0.000 2.466 154 A HA 0.245 4.565 4.320 -0.000 0.000 0.238 154 A C -0.251 176.961 177.584 -0.621 0.000 1.074 154 A CA 0.081 51.861 52.037 -0.428 0.000 0.774 154 A CB 0.037 18.774 19.000 -0.438 0.000 1.015 154 A HN 0.704 nan 8.150 nan 0.000 0.498 155 H N -1.011 118.050 119.070 -0.016 0.000 3.046 155 H HA 0.537 5.093 4.556 -0.000 0.000 0.361 155 H C 0.111 175.477 175.328 0.063 0.000 1.235 155 H CA 0.097 56.163 56.048 0.029 0.000 1.146 155 H CB 1.682 31.456 29.762 0.019 0.000 1.859 155 H HN 0.962 nan 8.280 nan 0.000 0.548 156 A N 1.260 124.183 122.820 0.171 0.000 2.296 156 A HA 0.193 4.513 4.320 -0.000 0.000 0.264 156 A C 1.319 179.020 177.584 0.195 0.000 1.097 156 A CA -0.296 51.816 52.037 0.124 0.000 0.811 156 A CB 0.331 19.373 19.000 0.071 0.000 1.072 156 A HN 0.624 nan 8.150 nan 0.000 0.495 157 L N 0.739 122.055 121.223 0.154 0.000 2.131 157 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 157 L C 2.649 179.602 176.870 0.138 0.000 1.092 157 L CA 2.522 57.468 54.840 0.176 0.000 0.759 157 L CB -0.655 41.460 42.059 0.093 0.000 0.903 157 L HN 0.881 nan 8.230 nan 0.000 0.435 158 R N -1.301 119.243 120.500 0.073 0.000 2.200 158 R HA -0.158 4.181 4.340 -0.000 0.000 0.234 158 R C 1.258 177.556 176.300 -0.004 0.000 1.127 158 R CA 1.655 57.775 56.100 0.033 0.000 0.989 158 R CB -0.870 29.439 30.300 0.016 0.000 0.869 158 R HN 0.326 nan 8.270 nan 0.000 0.459 159 D N 0.059 120.436 120.400 -0.038 0.000 2.234 159 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 159 D C 1.121 177.236 176.300 -0.307 0.000 0.962 159 D CA 1.027 54.900 54.000 -0.212 0.000 0.855 159 D CB -0.118 40.461 40.800 -0.369 0.000 0.951 159 D HN 0.336 nan 8.370 nan 0.000 0.500 160 Y N -0.374 119.905 120.300 -0.035 0.000 2.523 160 Y HA 0.214 4.764 4.550 0.000 0.000 0.279 160 Y C 0.840 176.739 175.900 -0.002 0.000 1.139 160 Y CA 0.102 58.190 58.100 -0.020 0.000 1.296 160 Y CB 0.555 39.023 38.460 0.012 0.000 1.045 160 Y HN -0.145 nan 8.280 nan 0.000 0.538 161 L N 2.559 123.852 121.223 0.117 0.000 2.529 161 L HA 0.459 4.799 4.340 -0.000 0.000 0.246 161 L C -2.752 174.143 176.870 0.041 0.000 1.394 161 L CA -2.251 52.638 54.840 0.083 0.000 0.906 161 L CB 0.430 42.544 42.059 0.091 0.000 1.170 161 L HN -0.244 nan 8.230 nan 0.000 0.501 162 P HA 0.118 nan 4.420 nan 0.000 0.268 162 P C -0.225 177.086 177.300 0.018 0.000 1.205 162 P CA 0.195 63.296 63.100 0.002 0.000 0.771 162 P CB 0.670 32.359 31.700 -0.019 0.000 0.858 163 D N 0.099 120.509 120.400 0.016 0.000 2.735 163 D HA -0.183 4.457 4.640 -0.000 0.000 0.235 163 D C -0.240 176.090 176.300 0.051 0.000 1.175 163 D CA 0.841 54.856 54.000 0.026 0.000 0.683 163 D CB -1.074 39.739 40.800 0.022 0.000 1.008 163 D HN 0.565 nan 8.370 nan 0.000 0.416 164 A N 1.229 124.078 122.820 0.048 0.000 2.462 164 A HA 0.425 4.745 4.320 -0.000 0.000 0.243 164 A C 0.139 177.782 177.584 0.099 0.000 1.076 164 A CA -0.262 51.819 52.037 0.073 0.000 0.773 164 A CB 0.243 19.269 19.000 0.044 0.000 1.010 164 A HN 0.377 nan 8.150 nan 0.000 0.493 165 F N 1.812 121.755 119.950 -0.011 0.000 2.379 165 F HA 0.629 5.156 4.527 -0.000 0.000 0.332 165 F C 0.626 176.417 175.800 -0.015 0.000 1.096 165 F CA 0.867 58.856 58.000 -0.018 0.000 1.105 165 F CB 1.320 40.303 39.000 -0.030 0.000 1.189 165 F HN 0.842 nan 8.300 nan 0.000 0.515 166 G N 4.349 112.787 108.800 -0.603 0.000 2.488 166 G HA2 0.264 4.224 3.960 -0.000 0.000 0.301 166 G HA3 0.264 4.224 3.960 -0.000 0.000 0.301 166 G C -2.757 171.926 174.900 -0.360 0.000 1.339 166 G CA -0.753 44.161 45.100 -0.311 0.000 0.803 166 G HN 0.269 nan 8.290 nan 0.000 0.482 167 P HA -0.127 nan 4.420 nan 0.000 0.218 167 P C 1.710 178.981 177.300 -0.048 0.000 1.148 167 P CA 1.454 64.561 63.100 0.012 0.000 0.822 167 P CB 0.089 31.847 31.700 0.097 0.000 0.784 168 K N 0.328 120.667 120.400 -0.102 0.000 2.152 168 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 168 K C 1.336 177.867 176.600 -0.115 0.000 1.048 168 K CA 1.488 57.722 56.287 -0.088 0.000 0.933 168 K CB -1.525 30.924 32.500 -0.084 0.000 0.721 168 K HN 0.184 nan 8.250 nan 0.000 0.447 169 D N 1.087 121.347 120.400 -0.234 0.000 2.218 169 D HA -0.055 4.584 4.640 -0.000 0.000 0.204 169 D C 1.539 177.766 176.300 -0.122 0.000 0.976 169 D CA 0.848 54.701 54.000 -0.245 0.000 0.853 169 D CB 0.163 40.618 40.800 -0.574 0.000 0.939 169 D HN 0.269 nan 8.370 nan 0.000 0.481 170 L N 0.313 121.493 121.223 -0.071 0.000 2.818 170 L HA 0.152 4.492 4.340 -0.000 0.000 0.243 170 L C -0.084 176.831 176.870 0.074 0.000 1.185 170 L CA -0.007 54.872 54.840 0.065 0.000 0.988 170 L CB -0.040 42.141 42.059 0.203 0.000 1.292 170 L HN -0.123 nan 8.230 nan 0.000 0.519 171 E N 0.709 120.921 120.200 0.021 0.000 2.476 171 E HA -0.209 4.141 4.350 -0.000 0.000 0.251 171 E C -0.127 176.481 176.600 0.013 0.000 1.130 171 E CA 0.220 56.627 56.400 0.013 0.000 0.736 171 E CB -0.781 28.929 29.700 0.016 0.000 1.298 171 E HN 0.263 nan 8.360 nan 0.000 0.400 172 I N 0.572 121.155 120.570 0.022 0.000 2.353 172 I HA 0.117 4.287 4.170 -0.000 0.000 0.293 172 I C 1.284 177.395 176.117 -0.010 0.000 0.992 172 I CA 0.149 61.444 61.300 -0.008 0.000 1.268 172 I CB 1.499 39.494 38.000 -0.008 0.000 1.387 172 I HN 0.024 nan 8.210 nan 0.000 0.478 173 K N 2.379 122.768 120.400 -0.019 0.000 2.360 173 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 173 K C 0.111 176.706 176.600 -0.009 0.000 1.049 173 K CA 0.314 56.592 56.287 -0.014 0.000 1.049 173 K CB 0.488 32.980 32.500 -0.013 0.000 0.881 173 K HN 0.699 nan 8.250 nan 0.000 0.542 174 T N 1.403 115.957 114.554 0.001 0.000 2.729 174 T HA 0.359 4.709 4.350 -0.000 0.000 0.296 174 T C 0.057 174.799 174.700 0.070 0.000 0.928 174 T CA -0.475 61.645 62.100 0.033 0.000 1.045 174 T CB 0.767 69.670 68.868 0.058 0.000 0.902 174 T HN -0.038 nan 8.240 nan 0.000 0.500 175 L N 2.833 124.029 121.223 -0.045 0.000 2.352 175 L HA 0.542 4.882 4.340 -0.000 0.000 0.269 175 L C 0.225 176.810 176.870 -0.475 0.000 1.034 175 L CA -1.535 53.191 54.840 -0.191 0.000 0.806 175 L CB 1.113 43.081 42.059 -0.152 0.000 1.244 175 L HN 0.446 nan 8.230 nan 0.000 0.447 176 L N 2.863 123.605 121.223 -0.802 0.000 2.453 176 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 176 L C 0.610 177.128 176.870 -0.587 0.000 1.182 176 L CA 0.802 55.052 54.840 -0.983 0.000 0.858 176 L CB 0.333 41.758 42.059 -1.057 0.000 1.120 176 L HN 0.756 nan 8.230 nan 0.000 0.474 177 M N 0.424 119.700 119.600 -0.540 0.000 2.990 177 M HA -0.212 4.268 4.480 -0.000 0.000 0.206 177 M C -0.423 175.841 176.300 -0.059 0.000 0.594 177 M CA 0.667 55.841 55.300 -0.211 0.000 0.787 177 M CB -1.403 31.105 32.600 -0.153 0.000 2.812 177 M HN 0.650 nan 8.290 nan 0.000 0.300 178 D N 1.957 122.300 120.400 -0.095 0.000 2.357 178 D HA 0.194 4.834 4.640 -0.000 0.000 0.242 178 D C 0.321 176.643 176.300 0.036 0.000 1.153 178 D CA 0.138 54.123 54.000 -0.025 0.000 0.918 178 D CB 0.517 41.296 40.800 -0.035 0.000 1.181 178 D HN 0.228 nan 8.370 nan 0.000 0.435 179 E N 1.040 121.261 120.200 0.036 0.000 2.324 179 E HA 0.088 4.438 4.350 -0.000 0.000 0.271 179 E C -0.257 176.362 176.600 0.032 0.000 1.028 179 E CA 0.138 56.564 56.400 0.044 0.000 0.890 179 E CB 0.573 30.288 29.700 0.024 0.000 1.004 179 E HN 0.213 nan 8.360 nan 0.000 0.431 180 Q N 2.588 122.404 119.800 0.028 0.000 2.359 180 Q HA 0.362 4.702 4.340 -0.000 0.000 0.274 180 Q C -1.396 174.506 176.000 -0.164 0.000 1.074 180 Q CA -0.814 54.960 55.803 -0.048 0.000 0.810 180 Q CB 2.464 31.212 28.738 0.016 0.000 1.342 180 Q HN 0.366 nan 8.270 nan 0.000 0.427 181 D N 0.356 120.593 120.400 -0.272 0.000 2.764 181 D HA 0.187 4.827 4.640 -0.000 0.000 0.227 181 D C -0.327 175.797 176.300 -0.293 0.000 1.347 181 D CA -0.331 53.518 54.000 -0.252 0.000 0.953 181 D CB 0.789 41.528 40.800 -0.101 0.000 1.476 181 D HN 0.509 nan 8.370 nan 0.000 0.585 182 H N 2.986 122.088 119.070 0.054 0.000 2.539 182 H HA 0.291 4.847 4.556 -0.000 0.000 0.269 182 H C 1.375 176.575 175.328 -0.213 0.000 0.980 182 H CA 0.679 56.715 56.048 -0.021 0.000 1.152 182 H CB 0.662 30.499 29.762 0.125 0.000 1.407 182 H HN 0.714 nan 8.280 nan 0.000 0.564 183 G N 0.880 109.638 108.800 -0.070 0.000 2.179 183 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 183 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 183 G C -0.447 174.347 174.900 -0.177 0.000 1.010 183 G CA -0.108 44.918 45.100 -0.124 0.000 0.736 183 G HN 0.337 nan 8.290 nan 0.000 0.513 184 Y N 0.607 120.942 120.300 0.058 0.000 2.359 184 Y HA 0.512 5.062 4.550 -0.000 0.000 0.330 184 Y C 1.038 176.952 175.900 0.024 0.000 1.143 184 Y CA -0.047 58.078 58.100 0.041 0.000 1.318 184 Y CB 1.011 39.501 38.460 0.050 0.000 1.234 184 Y HN 0.482 nan 8.280 nan 0.000 0.522 185 A N 4.014 126.929 122.820 0.159 0.000 2.440 185 A HA 0.419 4.739 4.320 -0.000 0.000 0.251 185 A C -0.783 176.852 177.584 0.085 0.000 1.089 185 A CA -0.532 51.557 52.037 0.088 0.000 0.779 185 A CB -0.074 18.963 19.000 0.061 0.000 1.022 185 A HN 0.640 nan 8.150 nan 0.000 0.492 186 L N 3.116 124.372 121.223 0.055 0.000 2.278 186 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 186 L C 0.562 177.445 176.870 0.023 0.000 1.072 186 L CA 1.022 55.885 54.840 0.038 0.000 0.819 186 L CB 0.907 42.982 42.059 0.026 0.000 1.176 186 L HN 0.798 nan 8.230 nan 0.000 0.435 187 T N 1.209 115.773 114.554 0.016 0.000 2.907 187 T HA 0.900 5.250 4.350 -0.000 0.000 0.290 187 T C 0.174 174.872 174.700 -0.002 0.000 1.066 187 T CA -0.232 61.872 62.100 0.007 0.000 1.012 187 T CB 1.872 70.744 68.868 0.008 0.000 1.184 187 T HN 0.939 nan 8.240 nan 0.000 0.522 188 G N 1.667 110.463 108.800 -0.006 0.000 2.660 188 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.215 188 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.215 188 G C -0.657 174.237 174.900 -0.010 0.000 1.345 188 G CA -0.163 44.931 45.100 -0.010 0.000 0.877 188 G HN 1.030 nan 8.290 nan 0.000 0.549 189 D N 0.259 120.652 120.400 -0.012 0.000 2.380 189 D HA 0.518 5.158 4.640 -0.000 0.000 0.254 189 D C 1.888 178.179 176.300 -0.016 0.000 1.288 189 D CA 0.518 54.510 54.000 -0.014 0.000 1.008 189 D CB 0.401 41.193 40.800 -0.014 0.000 1.099 189 D HN 1.308 nan 8.370 nan 0.000 0.537 190 A N -0.332 122.476 122.820 -0.021 0.000 1.892 190 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 190 A C 2.231 179.797 177.584 -0.029 0.000 1.188 190 A CA 1.749 53.770 52.037 -0.027 0.000 0.631 190 A CB -0.937 18.041 19.000 -0.036 0.000 0.822 190 A HN 0.485 nan 8.150 nan 0.000 0.447 191 L N 0.597 121.804 121.223 -0.026 0.000 2.056 191 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 191 L C 2.851 179.712 176.870 -0.015 0.000 1.078 191 L CA 2.625 57.450 54.840 -0.023 0.000 0.749 191 L CB -0.526 41.523 42.059 -0.017 0.000 0.901 191 L HN 0.506 nan 8.230 nan 0.000 0.433 192 S N -1.788 113.904 115.700 -0.013 0.000 2.402 192 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 192 S C 1.844 176.438 174.600 -0.010 0.000 1.021 192 S CA 0.868 59.061 58.200 -0.012 0.000 0.974 192 S CB -0.560 62.630 63.200 -0.016 0.000 0.800 192 S HN 0.553 nan 8.310 nan 0.000 0.484 193 Q N 1.217 121.011 119.800 -0.010 0.000 2.084 193 Q HA 0.009 4.349 4.340 -0.000 0.000 0.202 193 Q C 2.611 178.607 176.000 -0.006 0.000 0.978 193 Q CA 1.352 57.151 55.803 -0.005 0.000 0.844 193 Q CB -0.508 28.225 28.738 -0.008 0.000 0.898 193 Q HN 0.734 nan 8.270 nan 0.000 0.426 194 A N 1.157 123.967 122.820 -0.016 0.000 1.902 194 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 194 A C 2.299 179.877 177.584 -0.009 0.000 1.181 194 A CA 1.618 53.643 52.037 -0.020 0.000 0.623 194 A CB -0.704 18.275 19.000 -0.034 0.000 0.818 194 A HN 0.399 nan 8.150 nan 0.000 0.443 195 A N -0.009 122.808 122.820 -0.004 0.000 1.902 195 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 195 A C 2.109 179.697 177.584 0.006 0.000 1.181 195 A CA 1.543 53.582 52.037 0.003 0.000 0.623 195 A CB -0.598 18.404 19.000 0.002 0.000 0.818 195 A HN 0.506 nan 8.150 nan 0.000 0.443 196 I N -0.353 120.219 120.570 0.004 0.000 2.315 196 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 196 I C 2.936 179.083 176.117 0.051 0.000 1.117 196 I CA 0.899 62.209 61.300 0.017 0.000 1.404 196 I CB -0.379 37.634 38.000 0.022 0.000 1.071 196 I HN 0.356 nan 8.210 nan 0.000 0.419 197 A N 1.013 123.853 122.820 0.034 0.000 1.902 197 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 197 A C 2.583 180.184 177.584 0.028 0.000 1.181 197 A CA 1.870 53.925 52.037 0.031 0.000 0.623 197 A CB -0.811 18.191 19.000 0.004 0.000 0.818 197 A HN 0.417 nan 8.150 nan 0.000 0.443 198 A N -0.054 122.775 122.820 0.014 0.000 1.883 198 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 198 A C 2.507 180.136 177.584 0.075 0.000 1.186 198 A CA 2.231 54.272 52.037 0.007 0.000 0.624 198 A CB -1.093 17.910 19.000 0.004 0.000 0.822 198 A HN 1.152 nan 8.150 nan 0.000 0.444 199 A N -0.142 122.734 122.820 0.093 0.000 2.024 199 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 199 A C 1.885 179.640 177.584 0.284 0.000 1.164 199 A CA 1.754 53.879 52.037 0.147 0.000 0.643 199 A CB -0.607 18.417 19.000 0.039 0.000 0.806 199 A HN 0.534 nan 8.150 nan 0.000 0.451 200 N N -0.283 118.560 118.700 0.239 0.000 2.396 200 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 200 N C 1.435 176.999 175.510 0.089 0.000 1.028 200 N CA 0.710 53.917 53.050 0.261 0.000 0.893 200 N CB -0.220 38.354 38.487 0.145 0.000 0.967 200 N HN 0.527 nan 8.380 nan 0.000 0.440 201 R N 0.068 120.637 120.500 0.114 0.000 2.317 201 R HA 0.214 4.554 4.340 -0.000 0.000 0.208 201 R C 0.159 176.671 176.300 0.353 0.000 0.914 201 R CA -0.115 56.050 56.100 0.107 0.000 1.060 201 R CB 0.240 30.543 30.300 0.005 0.000 1.015 201 R HN -0.045 nan 8.270 nan 0.000 0.498 202 S N 1.229 117.223 115.700 0.489 0.000 2.558 202 S HA -0.111 4.359 4.470 -0.000 0.000 0.293 202 S C -0.148 174.805 174.600 0.588 0.000 1.292 202 S CA 0.178 58.727 58.200 0.582 0.000 1.063 202 S CB 0.157 63.652 63.200 0.492 0.000 0.831 202 S HN 0.283 nan 8.310 nan 0.000 0.499 203 H N 3.056 122.315 119.070 0.316 0.000 2.787 203 H HA 0.453 5.009 4.556 -0.000 0.000 0.275 203 H C -0.185 175.132 175.328 -0.018 0.000 1.183 203 H CA -0.897 55.203 56.048 0.086 0.000 1.290 203 H CB -0.002 29.679 29.762 -0.135 0.000 1.438 203 H HN 0.438 nan 8.280 nan 0.000 0.487 204 M N 4.615 124.046 119.600 -0.281 0.000 3.402 204 M HA 0.324 4.804 4.480 -0.000 0.000 0.372 204 M C -2.679 173.411 176.300 -0.350 0.000 1.610 204 M CA -2.125 53.019 55.300 -0.260 0.000 0.650 204 M CB 0.988 33.625 32.600 0.063 0.000 1.421 204 M HN 0.166 nan 8.290 nan 0.000 0.493 205 P HA -0.098 nan 4.420 nan 0.000 0.226 205 P C 0.414 177.362 177.300 -0.586 0.000 1.153 205 P CA 1.485 64.224 63.100 -0.602 0.000 0.777 205 P CB 0.012 31.282 31.700 -0.717 0.000 0.794 206 Y N 1.024 121.245 120.300 -0.131 0.000 2.262 206 Y HA -0.005 4.545 4.550 -0.000 0.000 0.295 206 Y C 2.815 178.675 175.900 -0.067 0.000 1.121 206 Y CA 1.550 59.610 58.100 -0.067 0.000 1.144 206 Y CB -1.038 37.341 38.460 -0.135 0.000 1.043 206 Y HN 0.060 nan 8.280 nan 0.000 0.528 207 S N -1.545 114.170 115.700 0.025 0.000 2.511 207 S HA 0.116 4.586 4.470 -0.000 0.000 0.214 207 S C 0.601 175.207 174.600 0.010 0.000 0.997 207 S CA -0.215 57.999 58.200 0.023 0.000 0.908 207 S CB 0.058 63.268 63.200 0.017 0.000 0.803 207 S HN 0.153 nan 8.310 nan 0.000 0.504 208 K N 1.157 121.543 120.400 -0.022 0.000 3.069 208 K HA -0.107 4.213 4.320 -0.000 0.000 0.267 208 K C -0.847 175.742 176.600 -0.018 0.000 1.082 208 K CA 0.711 56.974 56.287 -0.041 0.000 0.782 208 K CB -2.894 29.587 32.500 -0.032 0.000 1.230 208 K HN 0.531 nan 8.250 nan 0.000 0.488 209 S N 2.007 117.717 115.700 0.016 0.000 2.488 209 S HA 0.292 4.762 4.470 -0.000 0.000 0.310 209 S C -1.980 172.607 174.600 -0.021 0.000 1.093 209 S CA -1.017 57.170 58.200 -0.021 0.000 1.129 209 S CB 1.644 64.816 63.200 -0.046 0.000 0.989 209 S HN 0.072 nan 8.310 nan 0.000 0.479 210 P HA 0.303 nan 4.420 nan 0.000 0.275 210 P C -0.616 176.637 177.300 -0.079 0.000 1.227 210 P CA -0.237 62.864 63.100 0.001 0.000 0.781 210 P CB 1.129 32.822 31.700 -0.012 0.000 0.906 211 S N 1.087 116.774 115.700 -0.021 0.000 2.596 211 S HA 0.874 5.344 4.470 -0.000 0.000 0.270 211 S C -0.654 173.976 174.600 0.049 0.000 1.155 211 S CA -0.813 57.343 58.200 -0.074 0.000 0.827 211 S CB 1.640 64.703 63.200 -0.228 0.000 1.130 211 S HN 0.682 nan 8.310 nan 0.000 0.467 212 G N -0.193 108.624 108.800 0.029 0.000 2.742 212 G HA2 0.613 4.573 3.960 -0.000 0.000 0.296 212 G HA3 0.613 4.573 3.960 -0.000 0.000 0.296 212 G C -1.955 172.967 174.900 0.037 0.000 1.436 212 G CA -0.644 44.491 45.100 0.058 0.000 0.928 212 G HN 0.907 nan 8.290 nan 0.000 0.520 213 V N 0.193 120.133 119.914 0.043 0.000 2.680 213 V HA 0.877 4.997 4.120 -0.000 0.000 0.309 213 V C 0.096 176.209 176.094 0.032 0.000 1.052 213 V CA -0.409 61.912 62.300 0.035 0.000 0.908 213 V CB 1.769 33.611 31.823 0.030 0.000 1.001 213 V HN 1.373 nan 8.190 nan 0.000 0.431 214 A N 5.219 128.055 122.820 0.027 0.000 2.393 214 A HA 0.921 5.241 4.320 -0.000 0.000 0.306 214 A C -1.333 176.268 177.584 0.028 0.000 1.050 214 A CA -0.533 51.518 52.037 0.024 0.000 0.724 214 A CB 1.266 20.268 19.000 0.003 0.000 1.248 214 A HN 0.735 nan 8.150 nan 0.000 0.424 215 L N 1.287 122.539 121.223 0.048 0.000 2.346 215 L HA 0.584 4.924 4.340 -0.000 0.000 0.276 215 L C 0.020 176.905 176.870 0.026 0.000 1.006 215 L CA -0.464 54.407 54.840 0.052 0.000 0.817 215 L CB 2.055 44.169 42.059 0.092 0.000 1.272 215 L HN 0.862 nan 8.230 nan 0.000 0.421 216 E N 1.455 121.657 120.200 0.003 0.000 2.151 216 E HA 0.398 4.748 4.350 -0.000 0.000 0.275 216 E C -1.228 175.361 176.600 -0.017 0.000 0.936 216 E CA -0.602 55.776 56.400 -0.037 0.000 0.777 216 E CB 1.554 31.236 29.700 -0.030 0.000 1.108 216 E HN 0.615 nan 8.360 nan 0.000 0.401 217 C N 3.487 122.754 119.300 -0.056 0.000 2.347 217 C HA 0.232 4.692 4.460 -0.000 0.000 0.366 217 C C 1.755 176.748 174.990 0.005 0.000 1.241 217 C CA -0.541 58.467 59.018 -0.017 0.000 2.360 217 C CB 0.832 28.519 27.740 -0.088 0.000 2.290 217 C HN 0.920 nan 8.230 nan 0.000 0.587 218 K N 1.161 121.593 120.400 0.054 0.000 2.089 218 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 218 K C 1.259 177.884 176.600 0.042 0.000 1.048 218 K CA 2.249 58.570 56.287 0.056 0.000 0.926 218 K CB -0.186 32.364 32.500 0.083 0.000 0.714 218 K HN 0.817 nan 8.250 nan 0.000 0.448 219 D N -1.032 119.402 120.400 0.056 0.000 2.352 219 D HA -0.005 4.635 4.640 -0.000 0.000 0.232 219 D C 1.041 177.332 176.300 -0.015 0.000 1.055 219 D CA 0.898 54.920 54.000 0.037 0.000 0.891 219 D CB 0.179 41.026 40.800 0.079 0.000 0.897 219 D HN 0.363 nan 8.370 nan 0.000 0.529 220 G N 0.028 108.801 108.800 -0.044 0.000 2.195 220 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 220 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 220 G C 0.356 175.164 174.900 -0.153 0.000 0.984 220 G CA -0.264 44.790 45.100 -0.077 0.000 0.633 220 G HN 0.357 nan 8.290 nan 0.000 0.525 221 R N 0.459 120.820 120.500 -0.231 0.000 2.522 221 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 221 R C 0.518 176.513 176.300 -0.508 0.000 1.032 221 R CA 0.130 55.958 56.100 -0.453 0.000 1.049 221 R CB -0.039 29.826 30.300 -0.725 0.000 0.956 221 R HN 0.452 nan 8.270 nan 0.000 0.422 222 I N 4.808 125.060 120.570 -0.531 0.000 2.354 222 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 222 I C -0.481 175.301 176.117 -0.559 0.000 0.989 222 I CA -0.581 60.486 61.300 -0.389 0.000 1.188 222 I CB 0.980 38.853 38.000 -0.211 0.000 1.342 222 I HN 0.258 nan 8.210 nan 0.000 0.457 223 F N 3.856 123.735 119.950 -0.118 0.000 2.444 223 F HA 0.442 4.969 4.527 -0.000 0.000 0.342 223 F C 0.351 176.113 175.800 -0.064 0.000 1.121 223 F CA -0.366 57.576 58.000 -0.097 0.000 0.997 223 F CB 1.854 40.787 39.000 -0.111 0.000 1.130 223 F HN 0.281 nan 8.300 nan 0.000 0.454 224 S N 1.187 116.954 115.700 0.112 0.000 2.568 224 S HA 0.877 5.347 4.470 -0.000 0.000 0.302 224 S C -0.156 174.464 174.600 0.033 0.000 1.082 224 S CA -0.939 57.288 58.200 0.046 0.000 1.009 224 S CB 1.944 65.142 63.200 -0.002 0.000 1.069 224 S HN 0.861 nan 8.310 nan 0.000 0.500 225 G N 0.799 109.615 108.800 0.027 0.000 2.687 225 G HA2 0.558 4.518 3.960 -0.000 0.000 0.301 225 G HA3 0.558 4.518 3.960 -0.000 0.000 0.301 225 G C -0.932 173.996 174.900 0.047 0.000 1.416 225 G CA -0.470 44.650 45.100 0.034 0.000 1.005 225 G HN 0.580 nan 8.290 nan 0.000 0.509 226 S N 0.261 115.966 115.700 0.007 0.000 2.617 226 S HA 0.443 4.913 4.470 -0.000 0.000 0.283 226 S C -0.845 173.995 174.600 0.400 0.000 1.189 226 S CA -0.496 57.779 58.200 0.124 0.000 1.036 226 S CB 1.386 64.540 63.200 -0.075 0.000 1.014 226 S HN 0.558 nan 8.310 nan 0.000 0.522 227 Y N 1.958 122.436 120.300 0.297 0.000 2.335 227 Y HA 0.477 5.027 4.550 0.000 0.000 0.331 227 Y C -0.202 175.946 175.900 0.414 0.000 1.094 227 Y CA -1.161 57.115 58.100 0.294 0.000 1.253 227 Y CB 0.167 38.735 38.460 0.179 0.000 1.203 227 Y HN 0.646 nan 8.280 nan 0.000 0.508 228 A N 6.871 129.710 122.820 0.032 0.000 2.363 228 A HA 0.403 4.723 4.320 -0.000 0.000 0.296 228 A C -0.488 176.949 177.584 -0.245 0.000 1.237 228 A CA -0.803 51.188 52.037 -0.076 0.000 0.773 228 A CB 0.252 19.220 19.000 -0.053 0.000 1.153 228 A HN 0.855 nan 8.150 nan 0.000 0.473 229 E N 1.420 121.407 120.200 -0.355 0.000 2.392 229 E HA 0.133 4.483 4.350 -0.000 0.000 0.256 229 E C -0.363 176.282 176.600 0.077 0.000 1.145 229 E CA -0.279 56.002 56.400 -0.198 0.000 0.929 229 E CB 0.918 30.546 29.700 -0.119 0.000 0.998 229 E HN 0.689 nan 8.360 nan 0.000 0.442 230 N N -0.406 118.332 118.700 0.063 0.000 2.240 230 N HA 0.225 4.965 4.740 -0.000 0.000 0.302 230 N C -0.175 175.285 175.510 -0.084 0.000 1.106 230 N CA -0.140 52.947 53.050 0.062 0.000 0.778 230 N CB 1.830 40.362 38.487 0.075 0.000 1.431 230 N HN 0.432 nan 8.380 nan 0.000 0.479 231 A N 2.237 125.006 122.820 -0.084 0.000 1.969 231 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 231 A C 1.576 179.247 177.584 0.145 0.000 1.169 231 A CA 1.809 53.696 52.037 -0.249 0.000 0.635 231 A CB -0.477 18.500 19.000 -0.039 0.000 0.810 231 A HN 0.683 nan 8.150 nan 0.000 0.445 232 A N -2.380 120.576 122.820 0.227 0.000 2.302 232 A HA 0.435 4.755 4.320 -0.000 0.000 0.219 232 A C 0.886 178.585 177.584 0.191 0.000 1.243 232 A CA 0.308 52.424 52.037 0.132 0.000 0.856 232 A CB -0.777 18.272 19.000 0.080 0.000 0.893 232 A HN 0.497 nan 8.150 nan 0.000 0.491 233 F N -0.945 118.943 119.950 -0.103 0.000 2.570 233 F HA -0.439 4.088 4.527 -0.000 0.000 0.686 233 F C 1.584 177.395 175.800 0.020 0.000 0.486 233 F CA 2.154 60.120 58.000 -0.057 0.000 0.694 233 F CB -1.788 37.184 39.000 -0.047 0.000 1.595 233 F HN 0.408 nan 8.300 nan 0.000 0.263 234 N N 1.118 119.959 118.700 0.235 0.000 2.137 234 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 234 N C -1.097 174.534 175.510 0.201 0.000 1.017 234 N CA 1.929 55.088 53.050 0.180 0.000 0.859 234 N CB -1.147 37.425 38.487 0.143 0.000 1.002 234 N HN 0.400 nan 8.380 nan 0.000 0.428 235 P HA 0.001 nan 4.420 nan 0.000 0.239 235 P C -0.380 177.049 177.300 0.215 0.000 1.184 235 P CA 0.619 63.804 63.100 0.143 0.000 0.760 235 P CB -0.048 31.634 31.700 -0.030 0.000 0.884 236 T N 1.095 115.764 114.554 0.191 0.000 2.923 236 T HA -0.044 4.306 4.350 -0.000 0.000 0.304 236 T C 0.199 175.018 174.700 0.199 0.000 1.044 236 T CA 0.491 62.689 62.100 0.163 0.000 1.141 236 T CB -0.013 68.899 68.868 0.073 0.000 1.023 236 T HN -0.120 nan 8.240 nan 0.000 0.533 237 L N 7.888 129.253 121.223 0.237 0.000 2.260 237 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 237 L C -2.128 174.908 176.870 0.276 0.000 1.057 237 L CA -2.066 52.909 54.840 0.225 0.000 0.811 237 L CB 0.749 42.979 42.059 0.284 0.000 1.184 237 L HN 0.364 nan 8.230 nan 0.000 0.429 238 P HA 0.239 nan 4.420 nan 0.000 0.272 238 P C -2.388 175.079 177.300 0.278 0.000 1.230 238 P CA -1.459 61.831 63.100 0.318 0.000 0.788 238 P CB 0.071 31.878 31.700 0.180 0.000 0.949 239 P HA -0.115 nan 4.420 nan 0.000 0.215 239 P C 1.780 179.143 177.300 0.106 0.000 1.153 239 P CA 1.084 64.296 63.100 0.186 0.000 0.853 239 P CB -0.112 31.661 31.700 0.121 0.000 0.788 240 L N -0.828 120.424 121.223 0.050 0.000 2.042 240 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 240 L C 2.248 179.120 176.870 0.003 0.000 1.076 240 L CA 2.005 56.840 54.840 -0.009 0.000 0.749 240 L CB -0.633 41.374 42.059 -0.086 0.000 0.893 240 L HN -0.051 nan 8.230 nan 0.000 0.432 241 Q N -0.276 119.550 119.800 0.044 0.000 2.124 241 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 241 Q C 2.033 178.098 176.000 0.108 0.000 0.977 241 Q CA 1.646 57.501 55.803 0.086 0.000 0.850 241 Q CB -0.759 28.061 28.738 0.136 0.000 0.901 241 Q HN 0.615 nan 8.270 nan 0.000 0.429 242 G N 0.070 108.945 108.800 0.125 0.000 2.446 242 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 242 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 242 G C 1.466 176.406 174.900 0.066 0.000 1.168 242 G CA 1.076 46.248 45.100 0.121 0.000 0.771 242 G HN 0.480 nan 8.290 nan 0.000 0.551 243 A N 0.405 123.258 122.820 0.055 0.000 1.902 243 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 243 A C 2.430 180.005 177.584 -0.015 0.000 1.181 243 A CA 1.335 53.398 52.037 0.044 0.000 0.623 243 A CB -0.371 18.661 19.000 0.054 0.000 0.818 243 A HN 0.365 nan 8.150 nan 0.000 0.443 244 L N -0.867 120.360 121.223 0.008 0.000 2.217 244 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 244 L C 2.350 179.238 176.870 0.031 0.000 1.107 244 L CA 0.520 55.382 54.840 0.035 0.000 0.783 244 L CB -0.388 41.730 42.059 0.098 0.000 0.919 244 L HN 0.364 nan 8.230 nan 0.000 0.442 245 I N -0.681 119.907 120.570 0.031 0.000 2.113 245 I HA -0.301 3.869 4.170 -0.000 0.000 0.238 245 I C 2.334 178.372 176.117 -0.132 0.000 1.070 245 I CA 1.086 62.387 61.300 0.001 0.000 1.332 245 I CB -0.111 37.917 38.000 0.046 0.000 1.044 245 I HN 0.154 nan 8.210 nan 0.000 0.402 246 L N 0.107 121.231 121.223 -0.165 0.000 1.989 246 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 246 L C 2.409 178.899 176.870 -0.634 0.000 1.071 246 L CA 1.740 56.414 54.840 -0.277 0.000 0.749 246 L CB -1.213 40.805 42.059 -0.068 0.000 0.890 246 L HN 0.247 nan 8.230 nan 0.000 0.431 247 L N -0.407 120.269 121.223 -0.912 0.000 2.043 247 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 247 L C 2.413 179.024 176.870 -0.432 0.000 1.075 247 L CA 2.055 56.214 54.840 -1.134 0.000 0.752 247 L CB -0.484 41.211 42.059 -0.608 0.000 0.891 247 L HN 0.506 nan 8.230 nan 0.000 0.432 248 N N -0.604 117.947 118.700 -0.248 0.000 2.207 248 N HA -0.161 4.579 4.740 -0.000 0.000 0.182 248 N C 1.845 177.278 175.510 -0.128 0.000 1.020 248 N CA 1.057 54.019 53.050 -0.148 0.000 0.858 248 N CB 0.051 38.483 38.487 -0.091 0.000 0.991 248 N HN 0.272 nan 8.380 nan 0.000 0.427 249 L N 1.442 122.573 121.223 -0.153 0.000 2.131 249 L HA -0.055 4.284 4.340 -0.000 0.000 0.210 249 L C 1.712 178.541 176.870 -0.068 0.000 1.092 249 L CA 1.482 56.247 54.840 -0.124 0.000 0.759 249 L CB -1.032 40.866 42.059 -0.269 0.000 0.903 249 L HN 0.048 nan 8.230 nan 0.000 0.435 250 K N -0.171 120.208 120.400 -0.035 0.000 2.551 250 K HA 0.240 4.560 4.320 -0.000 0.000 0.192 250 K C 1.285 178.069 176.600 0.307 0.000 1.027 250 K CA 0.653 57.035 56.287 0.159 0.000 1.059 250 K CB -0.498 32.176 32.500 0.289 0.000 0.831 250 K HN 0.349 nan 8.250 nan 0.000 0.508 251 G N -0.986 107.925 108.800 0.184 0.000 2.176 251 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.232 251 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.232 251 G C -0.066 174.999 174.900 0.274 0.000 0.986 251 G CA -0.157 45.104 45.100 0.268 0.000 0.643 251 G HN 0.240 nan 8.290 nan 0.000 0.522 252 Y N 0.571 120.975 120.300 0.173 0.000 2.344 252 Y HA 0.677 5.227 4.550 -0.000 0.000 0.330 252 Y C 0.696 176.580 175.900 -0.027 0.000 1.330 252 Y CA -0.127 58.043 58.100 0.116 0.000 1.479 252 Y CB 0.747 39.237 38.460 0.050 0.000 1.428 252 Y HN 0.117 nan 8.280 nan 0.000 0.544 253 D N -2.075 118.394 120.400 0.113 0.000 2.552 253 D HA 0.177 4.816 4.640 -0.000 0.000 0.239 253 D C -0.007 176.270 176.300 -0.039 0.000 1.139 253 D CA -0.659 53.269 54.000 -0.120 0.000 0.914 253 D CB 0.907 41.665 40.800 -0.071 0.000 1.461 253 D HN 0.342 nan 8.370 nan 0.000 0.462 254 Y N 0.550 120.902 120.300 0.087 0.000 2.193 254 Y HA -0.062 4.488 4.550 -0.000 0.000 0.285 254 Y C -0.566 175.370 175.900 0.062 0.000 1.166 254 Y CA 1.234 59.371 58.100 0.061 0.000 1.181 254 Y CB -2.006 36.486 38.460 0.054 0.000 0.976 254 Y HN 0.410 nan 8.280 nan 0.000 0.520 255 P HA -0.081 nan 4.420 nan 0.000 0.236 255 P C 0.132 177.508 177.300 0.127 0.000 1.172 255 P CA 1.326 64.509 63.100 0.139 0.000 0.759 255 P CB 0.131 31.898 31.700 0.113 0.000 0.843 256 D N -0.241 120.248 120.400 0.148 0.000 2.350 256 D HA 0.100 4.740 4.640 -0.000 0.000 0.213 256 D C 1.074 177.450 176.300 0.125 0.000 1.031 256 D CA 0.131 54.227 54.000 0.159 0.000 0.861 256 D CB 0.248 41.204 40.800 0.260 0.000 0.926 256 D HN 0.297 nan 8.370 nan 0.000 0.520 257 I N 1.474 122.113 120.570 0.115 0.000 2.529 257 I HA -0.037 4.133 4.170 -0.000 0.000 0.284 257 I C 1.576 177.732 176.117 0.066 0.000 1.082 257 I CA -0.017 61.333 61.300 0.083 0.000 1.406 257 I CB 1.084 39.130 38.000 0.077 0.000 1.405 257 I HN -0.239 nan 8.210 nan 0.000 0.548 258 Q N 5.042 124.871 119.800 0.049 0.000 2.514 258 Q HA 0.301 4.641 4.340 -0.000 0.000 0.208 258 Q C 0.347 176.369 176.000 0.037 0.000 0.938 258 Q CA 0.789 56.618 55.803 0.043 0.000 0.892 258 Q CB 0.628 29.385 28.738 0.033 0.000 1.050 258 Q HN 0.609 nan 8.270 nan 0.000 0.595 259 R N -0.794 119.723 120.500 0.028 0.000 2.912 259 R HA 0.803 5.143 4.340 -0.000 0.000 0.262 259 R C -1.198 175.116 176.300 0.023 0.000 1.057 259 R CA -0.534 55.582 56.100 0.027 0.000 0.981 259 R CB 2.061 32.373 30.300 0.020 0.000 1.201 259 R HN 0.089 nan 8.270 nan 0.000 0.484 260 A N 0.736 123.573 122.820 0.028 0.000 2.574 260 A HA 0.678 4.998 4.320 -0.000 0.000 0.297 260 A C -1.521 176.092 177.584 0.048 0.000 1.062 260 A CA -0.600 51.454 52.037 0.028 0.000 0.686 260 A CB 1.967 20.974 19.000 0.013 0.000 1.285 260 A HN 0.315 nan 8.150 nan 0.000 0.403 261 V N 1.692 121.634 119.914 0.046 0.000 2.789 261 V HA 0.650 4.770 4.120 -0.000 0.000 0.311 261 V C -1.158 174.975 176.094 0.064 0.000 1.073 261 V CA -0.523 61.811 62.300 0.056 0.000 0.921 261 V CB 1.821 33.658 31.823 0.024 0.000 1.009 261 V HN 1.018 nan 8.190 nan 0.000 0.426 262 L N 4.245 125.527 121.223 0.097 0.000 2.341 262 L HA 0.974 5.314 4.340 -0.000 0.000 0.278 262 L C -0.125 176.765 176.870 0.033 0.000 1.005 262 L CA -0.124 54.771 54.840 0.091 0.000 0.818 262 L CB 1.542 43.724 42.059 0.204 0.000 1.259 262 L HN 0.769 nan 8.230 nan 0.000 0.418 263 A N 4.887 127.704 122.820 -0.006 0.000 2.318 263 A HA 0.835 5.155 4.320 -0.000 0.000 0.324 263 A C -0.863 176.669 177.584 -0.088 0.000 1.170 263 A CA -0.276 51.727 52.037 -0.055 0.000 0.810 263 A CB 0.769 19.732 19.000 -0.062 0.000 1.198 263 A HN 0.854 nan 8.150 nan 0.000 0.484 264 E N 1.615 121.741 120.200 -0.124 0.000 2.416 264 E HA 0.380 4.730 4.350 -0.000 0.000 0.280 264 E C -1.363 175.134 176.600 -0.171 0.000 1.055 264 E CA -1.112 55.196 56.400 -0.153 0.000 0.825 264 E CB 0.896 30.527 29.700 -0.116 0.000 1.312 264 E HN 0.411 nan 8.360 nan 0.000 0.452 265 K N 0.125 120.422 120.400 -0.172 0.000 2.295 265 K HA 0.329 4.649 4.320 -0.000 0.000 0.270 265 K C 0.712 177.255 176.600 -0.095 0.000 1.011 265 K CA 0.539 56.744 56.287 -0.136 0.000 0.953 265 K CB 1.314 33.755 32.500 -0.098 0.000 0.956 265 K HN 0.632 nan 8.250 nan 0.000 0.477 266 A N 2.757 125.530 122.820 -0.079 0.000 1.873 266 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 266 A C 0.925 178.482 177.584 -0.045 0.000 1.186 266 A CA 1.360 53.357 52.037 -0.067 0.000 0.616 266 A CB -0.038 18.925 19.000 -0.061 0.000 0.823 266 A HN 0.746 nan 8.150 nan 0.000 0.442 267 D N 0.673 121.054 120.400 -0.032 0.000 2.690 267 D HA 0.375 5.015 4.640 -0.000 0.000 0.236 267 D C 0.208 176.499 176.300 -0.015 0.000 1.218 267 D CA 0.360 54.349 54.000 -0.018 0.000 0.829 267 D CB -0.025 40.770 40.800 -0.009 0.000 1.009 267 D HN 0.399 nan 8.370 nan 0.000 0.482 268 A N 1.395 124.200 122.820 -0.026 0.000 2.354 268 A HA 0.353 4.673 4.320 -0.000 0.000 0.269 268 A C -1.283 176.294 177.584 -0.012 0.000 1.109 268 A CA -1.049 50.973 52.037 -0.026 0.000 0.800 268 A CB 0.748 19.717 19.000 -0.052 0.000 1.045 268 A HN -0.067 nan 8.150 nan 0.000 0.489 269 P HA -0.039 nan 4.420 nan 0.000 0.218 269 P C -0.268 177.038 177.300 0.010 0.000 1.148 269 P CA 1.129 64.237 63.100 0.013 0.000 0.822 269 P CB 0.062 31.777 31.700 0.025 0.000 0.784 270 L N -0.798 120.421 121.223 -0.007 0.000 2.362 270 L HA 0.427 4.767 4.340 -0.000 0.000 0.271 270 L C -0.474 176.371 176.870 -0.041 0.000 1.002 270 L CA -0.966 53.867 54.840 -0.012 0.000 0.818 270 L CB 2.137 44.194 42.059 -0.004 0.000 1.298 270 L HN -0.252 nan 8.230 nan 0.000 0.420 271 I N 2.426 122.982 120.570 -0.023 0.000 2.466 271 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 271 I C 0.235 176.347 176.117 -0.008 0.000 1.026 271 I CA -0.350 60.944 61.300 -0.010 0.000 1.078 271 I CB 2.065 40.086 38.000 0.035 0.000 1.249 271 I HN 0.673 nan 8.210 nan 0.000 0.429 272 Q N 4.276 124.062 119.800 -0.023 0.000 2.408 272 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 272 Q C 1.670 177.675 176.000 0.008 0.000 0.919 272 Q CA 0.427 56.210 55.803 -0.033 0.000 0.932 272 Q CB 0.359 29.044 28.738 -0.089 0.000 1.058 272 Q HN 0.812 nan 8.270 nan 0.000 0.517 273 W N 2.829 124.084 121.300 -0.075 0.000 2.317 273 W HA -0.241 4.419 4.660 -0.000 0.000 0.318 273 W C 0.580 177.068 176.519 -0.051 0.000 1.227 273 W CA 1.779 59.087 57.345 -0.061 0.000 1.269 273 W CB 0.126 29.553 29.460 -0.055 0.000 1.155 273 W HN 0.183 nan 8.180 nan 0.000 0.484 274 D N 0.308 120.516 120.400 -0.320 0.000 2.117 274 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 274 D C 2.245 178.346 176.300 -0.333 0.000 0.987 274 D CA 1.721 55.495 54.000 -0.377 0.000 0.829 274 D CB -0.518 40.202 40.800 -0.132 0.000 0.961 274 D HN 0.219 nan 8.370 nan 0.000 0.460 275 A N 0.812 123.501 122.820 -0.220 0.000 1.970 275 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 275 A C 2.377 179.821 177.584 -0.233 0.000 1.170 275 A CA 1.337 53.268 52.037 -0.177 0.000 0.645 275 A CB -0.585 18.358 19.000 -0.095 0.000 0.816 275 A HN 0.118 nan 8.150 nan 0.000 0.447 276 T N 0.977 115.368 114.554 -0.272 0.000 2.674 276 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 276 T C 2.358 176.821 174.700 -0.395 0.000 1.039 276 T CA 2.088 64.018 62.100 -0.284 0.000 1.150 276 T CB -0.483 68.254 68.868 -0.219 0.000 0.864 276 T HN 0.714 nan 8.240 nan 0.000 0.427 277 S N 2.308 117.625 115.700 -0.638 0.000 2.368 277 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 277 S C 2.502 176.872 174.600 -0.384 0.000 1.029 277 S CA 0.880 58.723 58.200 -0.595 0.000 0.988 277 S CB -0.788 61.889 63.200 -0.872 0.000 0.838 277 S HN 0.533 nan 8.310 nan 0.000 0.462 278 A N 2.071 124.687 122.820 -0.341 0.000 1.902 278 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 278 A C 2.411 179.861 177.584 -0.224 0.000 1.181 278 A CA 2.071 53.968 52.037 -0.233 0.000 0.623 278 A CB -1.567 17.322 19.000 -0.185 0.000 0.818 278 A HN 0.544 nan 8.150 nan 0.000 0.443 279 T N 0.234 114.639 114.554 -0.249 0.000 2.821 279 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 279 T C 1.810 176.315 174.700 -0.324 0.000 1.046 279 T CA 1.254 63.186 62.100 -0.279 0.000 1.139 279 T CB -0.300 68.373 68.868 -0.325 0.000 0.871 279 T HN 0.329 nan 8.240 nan 0.000 0.454 280 L N 0.272 121.307 121.223 -0.313 0.000 2.056 280 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 280 L C 2.612 179.281 176.870 -0.334 0.000 1.078 280 L CA 1.332 55.991 54.840 -0.301 0.000 0.749 280 L CB -0.317 41.592 42.059 -0.250 0.000 0.901 280 L HN 0.180 nan 8.230 nan 0.000 0.433 281 K N -0.161 120.023 120.400 -0.359 0.000 2.097 281 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 281 K C 2.151 178.569 176.600 -0.303 0.000 1.049 281 K CA 1.324 57.324 56.287 -0.478 0.000 0.933 281 K CB -0.260 32.067 32.500 -0.289 0.000 0.717 281 K HN 0.294 nan 8.250 nan 0.000 0.442 282 A N 0.855 123.547 122.820 -0.213 0.000 1.933 282 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 282 A C 1.934 179.428 177.584 -0.150 0.000 1.175 282 A CA 1.224 53.175 52.037 -0.142 0.000 0.628 282 A CB -0.479 18.441 19.000 -0.133 0.000 0.814 282 A HN 0.193 nan 8.150 nan 0.000 0.444 283 L N -1.925 119.159 121.223 -0.232 0.000 2.492 283 L HA 0.165 4.505 4.340 -0.000 0.000 0.223 283 L C 1.857 178.657 176.870 -0.115 0.000 1.132 283 L CA 0.663 55.357 54.840 -0.243 0.000 0.850 283 L CB -0.091 41.726 42.059 -0.404 0.000 0.966 283 L HN 0.618 nan 8.230 nan 0.000 0.454 284 G N -1.102 107.614 108.800 -0.141 0.000 2.278 284 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.210 284 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.210 284 G C 0.380 175.212 174.900 -0.115 0.000 1.000 284 G CA -0.065 45.009 45.100 -0.043 0.000 0.635 284 G HN 0.272 nan 8.290 nan 0.000 0.495 285 C N 1.531 120.719 119.300 -0.187 0.000 2.637 285 C HA 0.710 5.170 4.460 -0.000 0.000 0.418 285 C C 1.495 176.288 174.990 -0.328 0.000 1.319 285 C CA 0.760 59.695 59.018 -0.137 0.000 1.949 285 C CB -0.257 27.425 27.740 -0.097 0.000 2.639 285 C HN 0.507 nan 8.230 nan 0.000 0.594 286 H N 1.005 120.073 119.070 -0.002 0.000 3.233 286 H HA 0.228 4.784 4.556 -0.000 0.000 0.263 286 H C 0.475 175.814 175.328 0.020 0.000 1.168 286 H CA 0.048 56.096 56.048 0.000 0.000 1.159 286 H CB 0.399 30.163 29.762 0.004 0.000 1.593 286 H HN 0.593 nan 8.280 nan 0.000 0.580 287 S N 1.863 117.621 115.700 0.098 0.000 2.543 287 S HA 0.413 4.883 4.470 -0.000 0.000 0.299 287 S C -0.238 174.405 174.600 0.071 0.000 1.125 287 S CA -0.440 57.810 58.200 0.083 0.000 1.098 287 S CB 0.186 63.426 63.200 0.067 0.000 1.063 287 S HN 0.180 nan 8.310 nan 0.000 0.493 288 I N 2.669 123.304 120.570 0.107 0.000 2.466 288 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 288 I C -0.689 175.566 176.117 0.229 0.000 1.026 288 I CA -0.567 60.823 61.300 0.150 0.000 1.078 288 I CB 1.827 39.899 38.000 0.119 0.000 1.249 288 I HN 0.365 nan 8.210 nan 0.000 0.429 289 D N 4.968 125.473 120.400 0.175 0.000 2.493 289 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 289 D C -0.866 175.459 176.300 0.042 0.000 1.049 289 D CA -0.743 53.302 54.000 0.076 0.000 1.008 289 D CB 2.749 43.558 40.800 0.015 0.000 1.398 289 D HN 0.382 nan 8.370 nan 0.000 0.513 290 R N 0.569 120.979 120.500 -0.151 0.000 2.575 290 R HA 0.532 4.872 4.340 -0.000 0.000 0.293 290 R C -1.647 174.555 176.300 -0.162 0.000 0.983 290 R CA -0.751 55.237 56.100 -0.187 0.000 0.887 290 R CB 1.807 31.784 30.300 -0.538 0.000 1.184 290 R HN 0.271 nan 8.270 nan 0.000 0.445 291 V N 6.632 126.485 119.914 -0.103 0.000 2.581 291 V HA 0.616 4.736 4.120 -0.000 0.000 0.303 291 V C -0.868 175.161 176.094 -0.109 0.000 1.041 291 V CA -0.742 61.502 62.300 -0.094 0.000 0.907 291 V CB 1.635 33.423 31.823 -0.060 0.000 0.994 291 V HN 0.741 nan 8.190 nan 0.000 0.442 292 L N 5.055 126.212 121.223 -0.111 0.000 2.365 292 L HA 0.694 5.034 4.340 -0.000 0.000 0.273 292 L C -0.924 175.874 176.870 -0.120 0.000 1.000 292 L CA -0.850 53.916 54.840 -0.123 0.000 0.819 292 L CB 1.832 43.817 42.059 -0.124 0.000 1.284 292 L HN 0.594 nan 8.230 nan 0.000 0.418 293 L N 3.228 124.341 121.223 -0.183 0.000 2.436 293 L HA 0.845 5.185 4.340 -0.000 0.000 0.265 293 L C 0.469 177.268 176.870 -0.117 0.000 1.168 293 L CA -0.089 54.603 54.840 -0.246 0.000 0.815 293 L CB 1.079 42.735 42.059 -0.671 0.000 1.109 293 L HN 0.963 nan 8.230 nan 0.000 0.462 294 A N 0.000 122.837 122.820 0.028 0.000 2.254 294 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 294 A CA 0.000 52.101 52.037 0.107 0.000 0.836 294 A CB 0.000 19.030 19.000 0.051 0.000 0.831 294 A HN 0.000 nan 8.150 nan 0.000 0.486