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 3l5q_1_3 DATA FIRST_RESID 601 DATA SEQUENCE QFNPYGDNGX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX 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0.214 601 Q C 0.000 176.047 176.000 0.078 0.000 1.003 601 Q CA 0.000 55.831 55.803 0.046 0.000 1.022 601 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 602 F N 2.773 122.701 119.950 -0.037 0.000 2.495 602 F HA 0.348 4.875 4.527 0.000 0.000 0.365 602 F C -0.447 175.315 175.800 -0.063 0.000 1.090 602 F CA 0.366 58.340 58.000 -0.042 0.000 1.235 602 F CB 0.491 39.467 39.000 -0.040 0.000 1.119 602 F HN 0.478 nan 8.300 nan 0.000 0.562 603 N N 8.157 126.390 118.700 -0.779 0.000 2.524 603 N HA 0.306 5.046 4.740 0.000 0.000 0.261 603 N C -2.125 172.814 175.510 -0.952 0.000 0.998 603 N CA -1.762 50.889 53.050 -0.664 0.000 0.915 603 N CB 1.573 39.850 38.487 -0.350 0.000 1.187 603 N HN 0.401 nan 8.380 nan 0.000 0.507 604 P HA 0.051 nan 4.420 nan 0.000 0.247 604 P C -0.890 176.009 177.300 -0.669 0.000 1.225 604 P CA 0.476 63.143 63.100 -0.722 0.000 0.768 604 P CB -0.050 31.404 31.700 -0.410 0.000 1.020 605 Y N -0.133 119.853 120.300 -0.523 0.000 2.587 605 Y HA 0.694 5.244 4.550 0.000 0.000 0.337 605 Y C 1.115 176.403 175.900 -1.020 0.000 1.065 605 Y CA -0.685 56.885 58.100 -0.883 0.000 1.126 605 Y CB 1.603 39.664 38.460 -0.664 0.000 1.279 605 Y HN -0.135 nan 8.280 nan 0.000 0.489 606 G N -0.239 107.843 108.800 -1.197 0.000 2.866 606 G HA2 0.497 4.457 3.960 0.000 0.000 0.289 606 G HA3 0.497 4.457 3.960 0.000 0.000 0.289 606 G C -2.089 172.735 174.900 -0.126 0.000 1.396 606 G CA -0.609 44.171 45.100 -0.534 0.000 0.848 606 G HN 0.385 nan 8.290 nan 0.000 0.515 607 D N -1.603 118.834 120.400 0.062 0.000 2.896 607 D HA 0.411 5.051 4.640 0.000 0.000 0.241 607 D C -0.206 176.191 176.300 0.161 0.000 1.188 607 D CA -0.582 53.504 54.000 0.143 0.000 0.879 607 D CB 2.012 42.857 40.800 0.074 0.000 1.553 607 D HN 0.242 nan 8.370 nan 0.000 0.515 608 N N 0.944 119.754 118.700 0.183 0.000 2.159 608 N HA 0.416 5.156 4.740 0.000 0.000 0.217 608 N C 0.447 176.010 175.510 0.090 0.000 1.223 608 N CA 0.105 53.238 53.050 0.138 0.000 0.896 608 N CB 1.304 39.883 38.487 0.152 0.000 1.064 608 N HN 0.607 nan 8.380 nan 0.000 0.518 6002 T N 0.459 115.042 114.554 0.049 0.000 3.295 6002 T HA 0.542 4.892 4.350 0.000 0.000 0.331 6002 T C -0.400 174.405 174.700 0.174 0.000 1.142 6002 T CA -0.290 61.835 62.100 0.041 0.000 1.078 6002 T CB 0.917 69.750 68.868 -0.058 0.000 1.150 6002 T HN 1.077 nan 8.240 nan 0.000 0.465 6003 I N 1.090 121.735 120.570 0.125 0.000 2.846 6003 I HA 0.980 5.150 4.170 0.000 0.000 0.307 6003 I C -1.561 174.656 176.117 0.167 0.000 1.053 6003 I CA -1.480 59.929 61.300 0.182 0.000 1.050 6003 I CB 2.124 40.195 38.000 0.119 0.000 1.239 6003 I HN 0.536 nan 8.210 nan 0.000 0.439 6004 L N 3.276 124.627 121.223 0.213 0.000 2.493 6004 L HA 0.894 5.234 4.340 0.000 0.000 0.265 6004 L C -0.828 176.125 176.870 0.138 0.000 0.954 6004 L CA 0.145 55.086 54.840 0.167 0.000 0.844 6004 L CB 2.057 44.255 42.059 0.233 0.000 1.302 6004 L HN 0.905 nan 8.230 nan 0.000 0.405 6005 G N 5.231 114.085 108.800 0.091 0.000 2.590 6005 G HA2 0.713 4.673 3.960 0.000 0.000 0.310 6005 G HA3 0.713 4.673 3.960 0.000 0.000 0.310 6005 G C -1.460 173.457 174.900 0.028 0.000 1.347 6005 G CA -0.425 44.713 45.100 0.063 0.000 0.963 6005 G HN 0.592 nan 8.290 nan 0.000 0.494 6006 I N 1.465 122.045 120.570 0.017 0.000 2.498 6006 I HA 0.515 4.685 4.170 0.000 0.000 0.290 6006 I C 0.287 176.344 176.117 -0.099 0.000 1.032 6006 I CA -0.975 60.312 61.300 -0.021 0.000 1.073 6006 I CB 2.382 40.392 38.000 0.017 0.000 1.251 6006 I HN 0.566 nan 8.210 nan 0.000 0.426 6007 A N 4.911 127.647 122.820 -0.140 0.000 2.252 6007 A HA 0.738 5.058 4.320 0.000 0.000 0.309 6007 A C 0.369 177.760 177.584 -0.321 0.000 1.285 6007 A CA -0.247 51.653 52.037 -0.228 0.000 0.900 6007 A CB 0.398 19.273 19.000 -0.208 0.000 1.157 6007 A HN 0.842 nan 8.150 nan 0.000 0.536 6008 G N 0.396 108.796 108.800 -0.667 0.000 2.510 6008 G HA2 0.370 4.330 3.960 0.000 0.000 0.280 6008 G HA3 0.370 4.330 3.960 0.000 0.000 0.280 6008 G C 0.629 175.284 174.900 -0.408 0.000 1.386 6008 G CA 0.299 44.854 45.100 -0.908 0.000 1.047 6008 G HN 0.783 nan 8.290 nan 0.000 0.527 6009 E N -1.128 119.011 120.200 -0.102 0.000 2.075 6009 E HA -0.057 4.293 4.350 0.000 0.000 0.190 6009 E C 1.056 177.697 176.600 0.068 0.000 0.969 6009 E CA 1.332 57.721 56.400 -0.018 0.000 0.815 6009 E CB 0.147 29.917 29.700 0.117 0.000 0.776 6009 E HN 0.542 nan 8.360 nan 0.000 0.457 6010 D N -0.827 119.733 120.400 0.265 0.000 2.538 6010 D HA 0.144 4.784 4.640 0.000 0.000 0.231 6010 D C -0.147 176.356 176.300 0.339 0.000 1.229 6010 D CA -0.417 53.729 54.000 0.243 0.000 0.828 6010 D CB 0.016 40.938 40.800 0.204 0.000 1.035 6010 D HN 0.156 nan 8.370 nan 0.000 0.495 6011 F N -1.680 118.301 119.950 0.051 0.000 2.817 6011 F HA 0.842 5.369 4.527 0.000 0.000 0.317 6011 F C -2.129 173.704 175.800 0.053 0.000 1.168 6011 F CA -1.741 56.291 58.000 0.052 0.000 0.911 6011 F CB 0.904 39.939 39.000 0.057 0.000 1.337 6011 F HN -0.012 nan 8.300 nan 0.000 0.464 6012 A N 0.918 123.782 122.820 0.072 0.000 2.566 6012 A HA 0.765 5.085 4.320 0.000 0.000 0.297 6012 A C -1.562 176.095 177.584 0.122 0.000 1.059 6012 A CA -0.271 51.732 52.037 -0.056 0.000 0.691 6012 A CB 1.295 20.262 19.000 -0.055 0.000 1.282 6012 A HN 2.106 nan 8.150 nan 0.000 0.401 6013 V N -0.095 119.882 119.914 0.105 0.000 2.715 6013 V HA 0.893 5.013 4.120 0.000 0.000 0.310 6013 V C -0.527 175.621 176.094 0.089 0.000 1.054 6013 V CA -0.861 61.521 62.300 0.137 0.000 0.928 6013 V CB 1.837 33.771 31.823 0.186 0.000 1.007 6013 V HN 1.062 nan 8.190 nan 0.000 0.437 6014 L N 3.482 124.754 121.223 0.081 0.000 2.504 6014 L HA 0.814 5.154 4.340 0.000 0.000 0.265 6014 L C -0.313 176.587 176.870 0.050 0.000 0.975 6014 L CA -0.248 54.632 54.840 0.067 0.000 0.864 6014 L CB 1.156 43.248 42.059 0.054 0.000 1.212 6014 L HN 1.118 nan 8.230 nan 0.000 0.416 6015 A N 3.080 125.940 122.820 0.067 0.000 2.340 6015 A HA 0.972 5.292 4.320 0.000 0.000 0.331 6015 A C -0.213 177.379 177.584 0.014 0.000 1.140 6015 A CA -0.113 51.928 52.037 0.007 0.000 0.801 6015 A CB 1.836 20.828 19.000 -0.014 0.000 1.234 6015 A HN 0.796 nan 8.150 nan 0.000 0.469 6016 G N 0.763 109.503 108.800 -0.100 0.000 2.704 6016 G HA2 0.563 4.523 3.960 0.000 0.000 0.293 6016 G HA3 0.563 4.523 3.960 0.000 0.000 0.293 6016 G C -1.389 173.428 174.900 -0.137 0.000 1.421 6016 G CA -0.511 44.563 45.100 -0.044 0.000 0.870 6016 G HN 0.854 nan 8.290 nan 0.000 0.492 6017 D N -0.968 119.426 120.400 -0.010 0.000 2.383 6017 D HA 0.362 5.002 4.640 0.000 0.000 0.248 6017 D C 0.723 177.006 176.300 -0.028 0.000 1.170 6017 D CA -0.331 53.669 54.000 -0.000 0.000 0.977 6017 D CB 1.124 42.001 40.800 0.128 0.000 1.120 6017 D HN 0.184 nan 8.370 nan 0.000 0.481 6018 T N -1.335 113.222 114.554 0.005 0.000 3.069 6018 T HA 0.069 4.419 4.350 0.000 0.000 0.252 6018 T C 0.933 175.615 174.700 -0.030 0.000 1.053 6018 T CA -0.312 61.749 62.100 -0.064 0.000 0.964 6018 T CB -0.015 68.870 68.868 0.029 0.000 1.005 6018 T HN 0.303 nan 8.240 nan 0.000 0.532 6019 R N 2.800 123.313 120.500 0.022 0.000 2.308 6019 R HA 0.277 4.617 4.340 0.000 0.000 0.305 6019 R C -0.765 175.549 176.300 0.023 0.000 1.053 6019 R CA -0.328 55.795 56.100 0.039 0.000 0.957 6019 R CB 0.346 30.684 30.300 0.064 0.000 1.022 6019 R HN 0.022 nan 8.270 nan 0.000 0.461 6020 N N 5.274 123.989 118.700 0.026 0.000 2.448 6020 N HA 0.268 5.008 4.740 0.000 0.000 0.279 6020 N C -1.280 174.258 175.510 0.046 0.000 1.025 6020 N CA -0.515 52.552 53.050 0.029 0.000 0.898 6020 N CB 1.119 39.615 38.487 0.014 0.000 1.303 6020 N HN 0.569 nan 8.380 nan 0.000 0.495 6021 I N -0.475 120.127 120.570 0.054 0.000 3.002 6021 I HA 0.640 4.810 4.170 0.000 0.000 0.310 6021 I C -0.420 175.733 176.117 0.060 0.000 1.087 6021 I CA -0.534 60.799 61.300 0.054 0.000 1.017 6021 I CB 2.137 40.163 38.000 0.043 0.000 1.226 6021 I HN 0.154 nan 8.210 nan 0.000 0.443 6022 T N 2.931 117.517 114.554 0.054 0.000 2.930 6022 T HA 0.386 4.737 4.350 0.000 0.000 0.313 6022 T C -0.448 174.269 174.700 0.028 0.000 1.019 6022 T CA 0.000 62.132 62.100 0.052 0.000 1.004 6022 T CB 0.436 69.345 68.868 0.068 0.000 0.987 6022 T HN 0.879 nan 8.240 nan 0.000 0.456 6023 D N 1.725 122.113 120.400 -0.019 0.000 4.508 6023 D HA -0.229 4.411 4.640 0.000 0.000 0.178 6023 D C 0.427 176.590 176.300 -0.229 0.000 0.644 6023 D CA 1.955 55.901 54.000 -0.089 0.000 1.244 6023 D CB -0.758 40.062 40.800 0.033 0.000 0.727 6023 D HN 0.654 nan 8.370 nan 0.000 0.495 6024 Y N 0.083 120.407 120.300 0.039 0.000 2.471 6024 Y HA 0.411 4.961 4.550 0.000 0.000 0.249 6024 Y C 0.960 176.883 175.900 0.039 0.000 1.116 6024 Y CA 0.369 58.490 58.100 0.036 0.000 1.240 6024 Y CB 1.039 39.514 38.460 0.026 0.000 1.251 6024 Y HN 0.021 nan 8.280 nan 0.000 0.527 6025 S N 0.060 115.851 115.700 0.152 0.000 2.687 6025 S HA 0.587 5.057 4.470 0.000 0.000 0.283 6025 S C -0.428 174.223 174.600 0.085 0.000 1.170 6025 S CA -0.466 57.801 58.200 0.112 0.000 1.008 6025 S CB 0.421 63.677 63.200 0.092 0.000 1.026 6025 S HN 0.089 nan 8.310 nan 0.000 0.541 6026 I N 3.383 123.999 120.570 0.077 0.000 2.392 6026 I HA 0.308 4.478 4.170 0.000 0.000 0.295 6026 I C 0.471 176.625 176.117 0.062 0.000 0.985 6026 I CA -0.623 60.718 61.300 0.068 0.000 1.221 6026 I CB 1.650 39.691 38.000 0.069 0.000 1.366 6026 I HN 0.656 nan 8.210 nan 0.000 0.467 6027 N N 2.540 121.275 118.700 0.058 0.000 2.322 6027 N HA 0.044 4.784 4.740 0.000 0.000 0.186 6027 N C 0.288 175.828 175.510 0.050 0.000 1.037 6027 N CA 0.612 53.695 53.050 0.054 0.000 0.869 6027 N CB 0.315 38.835 38.487 0.054 0.000 1.036 6027 N HN 0.509 nan 8.380 nan 0.000 0.439 6028 S N -0.886 114.843 115.700 0.047 0.000 2.569 6028 S HA 0.457 4.927 4.470 0.000 0.000 0.280 6028 S C 0.301 174.937 174.600 0.061 0.000 1.111 6028 S CA -0.664 57.568 58.200 0.052 0.000 0.887 6028 S CB 1.776 65.001 63.200 0.041 0.000 1.095 6028 S HN 0.057 nan 8.310 nan 0.000 0.476 6029 R N 0.722 121.275 120.500 0.088 0.000 2.223 6029 R HA 0.139 4.479 4.340 0.000 0.000 0.198 6029 R C -0.589 175.810 176.300 0.165 0.000 0.984 6029 R CA 0.514 56.682 56.100 0.114 0.000 1.018 6029 R CB 0.224 30.596 30.300 0.119 0.000 0.945 6029 R HN 0.618 nan 8.270 nan 0.000 0.479 6030 Y N 1.223 121.522 120.300 -0.002 0.000 2.426 6030 Y HA 0.272 4.822 4.550 0.000 0.000 0.325 6030 Y C -1.341 174.530 175.900 -0.047 0.000 0.989 6030 Y CA -1.188 56.883 58.100 -0.048 0.000 1.284 6030 Y CB 1.200 39.607 38.460 -0.089 0.000 1.104 6030 Y HN -0.137 nan 8.280 nan 0.000 0.481 6031 E N 7.474 127.422 120.200 -0.421 0.000 2.466 6031 E HA 0.428 4.778 4.350 0.000 0.000 0.308 6031 E C -3.162 173.182 176.600 -0.426 0.000 0.933 6031 E CA -1.919 54.285 56.400 -0.326 0.000 0.800 6031 E CB 1.411 31.040 29.700 -0.118 0.000 1.434 6031 E HN 0.269 nan 8.360 nan 0.000 0.389 6032 P HA 0.331 nan 4.420 nan 0.000 0.274 6032 P C -0.292 176.673 177.300 -0.559 0.000 1.237 6032 P CA -0.409 62.320 63.100 -0.617 0.000 0.793 6032 P CB 1.260 32.568 31.700 -0.653 0.000 0.977 6033 K N 0.438 120.502 120.400 -0.559 0.000 2.474 6033 K HA 0.162 4.482 4.320 0.000 0.000 0.202 6033 K C -0.382 175.914 176.600 -0.506 0.000 1.248 6033 K CA 0.353 56.409 56.287 -0.385 0.000 0.946 6033 K CB 0.544 32.928 32.500 -0.193 0.000 1.102 6033 K HN 0.263 nan 8.250 nan 0.000 0.541 6034 V N 1.639 121.196 119.914 -0.596 0.000 2.370 6034 V HA 0.544 4.664 4.120 0.000 0.000 0.283 6034 V C -0.777 175.000 176.094 -0.528 0.000 1.023 6034 V CA -0.822 61.239 62.300 -0.399 0.000 0.857 6034 V CB 0.762 32.460 31.823 -0.208 0.000 0.985 6034 V HN -0.095 nan 8.190 nan 0.000 0.443 6035 F N 1.573 121.508 119.950 -0.026 0.000 2.532 6035 F HA 0.498 5.025 4.527 0.000 0.000 0.321 6035 F C 0.217 176.020 175.800 0.005 0.000 1.089 6035 F CA -0.876 57.113 58.000 -0.018 0.000 0.926 6035 F CB 1.719 40.704 39.000 -0.025 0.000 1.168 6035 F HN 0.489 nan 8.300 nan 0.000 0.459 6036 D N 1.508 122.039 120.400 0.218 0.000 2.317 6036 D HA 0.177 4.817 4.640 0.000 0.000 0.252 6036 D C 0.029 176.408 176.300 0.133 0.000 1.174 6036 D CA 0.062 54.146 54.000 0.140 0.000 0.866 6036 D CB 1.185 42.046 40.800 0.103 0.000 1.127 6036 D HN 0.591 nan 8.370 nan 0.000 0.467 6037 C N 3.104 122.480 119.300 0.126 0.000 3.038 6037 C HA 0.559 5.019 4.460 0.000 0.000 0.279 6037 C C 1.102 176.130 174.990 0.062 0.000 1.276 6037 C CA 0.252 59.336 59.018 0.110 0.000 1.697 6037 C CB -1.060 26.816 27.740 0.226 0.000 2.032 6037 C HN 0.881 nan 8.230 nan 0.000 0.636 6038 G N 1.150 109.993 108.800 0.073 0.000 2.757 6038 G HA2 -0.020 3.940 3.960 0.000 0.000 0.638 6038 G HA3 -0.020 3.940 3.960 0.000 0.000 0.638 6038 G C -0.461 174.490 174.900 0.085 0.000 1.344 6038 G CA -0.132 45.011 45.100 0.072 0.000 0.855 6038 G HN 0.251 nan 8.290 nan 0.000 0.537 6039 D N -0.069 120.393 120.400 0.103 0.000 2.733 6039 D HA -0.204 4.436 4.640 0.000 0.000 0.232 6039 D C 0.873 177.226 176.300 0.088 0.000 1.161 6039 D CA 1.803 55.865 54.000 0.104 0.000 0.653 6039 D CB -1.420 39.449 40.800 0.115 0.000 1.052 6039 D HN 1.125 nan 8.370 nan 0.000 0.424 6040 N N -0.933 117.817 118.700 0.084 0.000 2.705 6040 N HA -0.229 4.511 4.740 0.000 0.000 0.255 6040 N C -0.694 174.870 175.510 0.090 0.000 1.008 6040 N CA 0.651 53.750 53.050 0.082 0.000 0.742 6040 N CB -0.682 37.851 38.487 0.076 0.000 0.906 6040 N HN 0.477 nan 8.380 nan 0.000 0.541 6041 I N 0.865 121.496 120.570 0.102 0.000 2.478 6041 I HA 0.313 4.483 4.170 0.000 0.000 0.287 6041 I C 0.225 176.410 176.117 0.113 0.000 1.042 6041 I CA -1.035 60.333 61.300 0.113 0.000 1.067 6041 I CB 1.816 39.908 38.000 0.152 0.000 1.233 6041 I HN -0.185 nan 8.210 nan 0.000 0.431 6042 V N 4.854 124.822 119.914 0.091 0.000 2.483 6042 V HA 0.794 4.914 4.120 0.000 0.000 0.295 6042 V C -0.276 175.854 176.094 0.061 0.000 1.035 6042 V CA -0.580 61.772 62.300 0.086 0.000 0.896 6042 V CB 1.612 33.478 31.823 0.072 0.000 0.986 6042 V HN 0.906 nan 8.190 nan 0.000 0.447 6043 M N 3.027 122.664 119.600 0.063 0.000 2.667 6043 M HA 0.889 5.369 4.480 0.000 0.000 0.286 6043 M C -0.935 175.398 176.300 0.055 0.000 1.270 6043 M CA -0.416 54.894 55.300 0.015 0.000 0.826 6043 M CB 2.457 34.986 32.600 -0.118 0.000 1.743 6043 M HN 0.670 nan 8.290 nan 0.000 0.460 6044 S N 0.853 116.568 115.700 0.026 0.000 2.649 6044 S HA 0.804 5.274 4.470 0.000 0.000 0.274 6044 S C -1.600 173.013 174.600 0.022 0.000 1.176 6044 S CA -0.433 57.791 58.200 0.040 0.000 0.988 6044 S CB 1.652 64.866 63.200 0.023 0.000 1.071 6044 S HN 1.006 nan 8.310 nan 0.000 0.478 6045 A N 4.730 127.566 122.820 0.025 0.000 2.394 6045 A HA 0.584 4.904 4.320 0.000 0.000 0.333 6045 A C -0.186 177.416 177.584 0.030 0.000 1.397 6045 A CA -0.682 51.349 52.037 -0.010 0.000 0.884 6045 A CB 0.164 19.122 19.000 -0.070 0.000 1.147 6045 A HN 0.738 nan 8.150 nan 0.000 0.505 6046 N N 2.045 120.777 118.700 0.053 0.000 2.370 6046 N HA 0.672 5.412 4.740 0.000 0.000 0.303 6046 N C 0.500 176.059 175.510 0.081 0.000 1.103 6046 N CA 0.706 53.797 53.050 0.068 0.000 0.848 6046 N CB 2.015 40.544 38.487 0.070 0.000 1.235 6046 N HN 0.873 nan 8.380 nan 0.000 0.496 6047 G N 2.289 111.153 108.800 0.107 0.000 1.742 6047 G HA2 -0.132 3.828 3.960 0.000 0.000 0.185 6047 G HA3 -0.132 3.828 3.960 0.000 0.000 0.185 6047 G C -1.214 173.862 174.900 0.294 0.000 1.174 6047 G CA -0.490 44.709 45.100 0.164 0.000 1.276 6047 G HN 0.497 nan 8.290 nan 0.000 0.424 6048 F N 3.998 124.061 119.950 0.188 0.000 2.375 6048 F HA 0.751 5.278 4.527 0.000 0.000 0.362 6048 F C 1.426 177.312 175.800 0.142 0.000 1.129 6048 F CA -0.346 57.769 58.000 0.191 0.000 1.154 6048 F CB 0.895 40.065 39.000 0.283 0.000 1.205 6048 F HN 0.787 nan 8.300 nan 0.000 0.513 6049 A N 5.955 128.731 122.820 -0.072 0.000 1.869 6049 A HA -0.174 4.146 4.320 0.000 0.000 0.218 6049 A C 2.408 179.781 177.584 -0.353 0.000 1.203 6049 A CA 2.352 54.291 52.037 -0.162 0.000 0.638 6049 A CB -1.390 17.575 19.000 -0.059 0.000 0.831 6049 A HN 1.001 nan 8.150 nan 0.000 0.450 6050 A N -0.618 121.803 122.820 -0.665 0.000 1.927 6050 A HA -0.287 4.033 4.320 0.000 0.000 0.220 6050 A C 1.853 179.191 177.584 -0.410 0.000 1.185 6050 A CA 2.391 54.096 52.037 -0.554 0.000 0.639 6050 A CB -0.750 17.890 19.000 -0.599 0.000 0.820 6050 A HN 0.510 nan 8.150 nan 0.000 0.451 6051 D N -1.091 119.003 120.400 -0.510 0.000 2.149 6051 D HA 0.007 4.647 4.640 0.000 0.000 0.201 6051 D C 2.135 178.423 176.300 -0.020 0.000 0.972 6051 D CA 1.353 55.352 54.000 -0.001 0.000 0.835 6051 D CB -0.536 40.463 40.800 0.332 0.000 0.966 6051 D HN 0.403 nan 8.370 nan 0.000 0.476 6052 G N 0.355 109.109 108.800 -0.077 0.000 2.394 6052 G HA2 -0.209 3.751 3.960 0.000 0.000 0.214 6052 G HA3 -0.209 3.751 3.960 0.000 0.000 0.214 6052 G C 1.387 176.222 174.900 -0.108 0.000 1.176 6052 G CA 0.494 45.546 45.100 -0.081 0.000 0.786 6052 G HN 0.102 nan 8.290 nan 0.000 0.533 6053 D N 1.106 121.447 120.400 -0.098 0.000 2.149 6053 D HA -0.119 4.521 4.640 0.000 0.000 0.194 6053 D C 2.778 178.982 176.300 -0.159 0.000 1.001 6053 D CA 1.436 55.366 54.000 -0.117 0.000 0.849 6053 D CB -0.351 40.387 40.800 -0.102 0.000 0.939 6053 D HN 0.297 nan 8.370 nan 0.000 0.449 6054 A N 0.044 122.779 122.820 -0.140 0.000 1.968 6054 A HA -0.081 4.239 4.320 0.000 0.000 0.217 6054 A C 2.147 179.604 177.584 -0.211 0.000 1.169 6054 A CA 0.801 52.766 52.037 -0.121 0.000 0.638 6054 A CB -0.498 18.488 19.000 -0.023 0.000 0.812 6054 A HN 0.265 nan 8.150 nan 0.000 0.446 6055 L N -0.624 120.388 121.223 -0.351 0.000 2.109 6055 L HA -0.015 4.325 4.340 0.000 0.000 0.207 6055 L C 2.321 179.017 176.870 -0.291 0.000 1.086 6055 L CA 1.429 55.958 54.840 -0.519 0.000 0.760 6055 L CB -0.370 41.272 42.059 -0.695 0.000 0.910 6055 L HN 0.115 nan 8.230 nan 0.000 0.437 6056 V N -0.010 119.768 119.914 -0.226 0.000 2.255 6056 V HA -0.338 3.782 4.120 0.000 0.000 0.247 6056 V C 2.724 178.728 176.094 -0.149 0.000 1.051 6056 V CA 2.105 64.302 62.300 -0.171 0.000 1.018 6056 V CB -0.513 31.167 31.823 -0.237 0.000 0.641 6056 V HN 0.486 nan 8.190 nan 0.000 0.445 6057 K N -0.532 119.754 120.400 -0.190 0.000 2.059 6057 K HA -0.273 4.047 4.320 0.000 0.000 0.212 6057 K C 2.380 178.917 176.600 -0.105 0.000 1.050 6057 K CA 2.144 58.339 56.287 -0.153 0.000 0.927 6057 K CB -0.221 32.198 32.500 -0.135 0.000 0.714 6057 K HN 0.264 nan 8.250 nan 0.000 0.447 6058 R N -0.691 119.749 120.500 -0.100 0.000 2.148 6058 R HA -0.107 4.233 4.340 0.000 0.000 0.227 6058 R C 2.127 178.403 176.300 -0.039 0.000 1.103 6058 R CA 1.146 57.203 56.100 -0.072 0.000 0.983 6058 R CB -0.135 30.112 30.300 -0.088 0.000 0.874 6058 R HN 0.187 nan 8.270 nan 0.000 0.451 6059 F N 0.867 120.704 119.950 -0.187 0.000 2.179 6059 F HA 0.046 4.573 4.527 0.000 0.000 0.292 6059 F C 1.752 177.456 175.800 -0.159 0.000 1.089 6059 F CA 1.105 58.996 58.000 -0.181 0.000 1.295 6059 F CB 0.018 38.889 39.000 -0.216 0.000 1.041 6059 F HN -0.215 nan 8.300 nan 0.000 0.487 6060 K N 0.346 120.686 120.400 -0.100 0.000 2.173 6060 K HA -0.278 4.042 4.320 0.000 0.000 0.207 6060 K C 1.967 178.402 176.600 -0.276 0.000 1.046 6060 K CA 1.650 57.815 56.287 -0.203 0.000 0.929 6060 K CB -0.451 31.977 32.500 -0.121 0.000 0.720 6060 K HN 0.430 nan 8.250 nan 0.000 0.453 6061 N N -0.290 118.286 118.700 -0.207 0.000 2.333 6061 N HA -0.078 4.662 4.740 0.000 0.000 0.178 6061 N C 1.688 177.123 175.510 -0.125 0.000 1.018 6061 N CA 0.447 53.419 53.050 -0.132 0.000 0.882 6061 N CB 0.179 38.647 38.487 -0.031 0.000 0.984 6061 N HN -0.009 nan 8.380 nan 0.000 0.434 6062 S N -0.017 115.538 115.700 -0.241 0.000 2.419 6062 S HA -0.032 4.438 4.470 0.000 0.000 0.233 6062 S C 1.914 176.315 174.600 -0.331 0.000 1.016 6062 S CA 0.577 58.634 58.200 -0.239 0.000 0.974 6062 S CB 0.013 63.036 63.200 -0.294 0.000 0.786 6062 S HN 0.137 nan 8.310 nan 0.000 0.492 6063 V N 1.432 121.012 119.914 -0.557 0.000 2.346 6063 V HA -0.062 4.058 4.120 0.000 0.000 0.244 6063 V C 2.425 178.131 176.094 -0.647 0.000 1.037 6063 V CA 1.698 63.629 62.300 -0.615 0.000 1.029 6063 V CB -0.553 30.871 31.823 -0.664 0.000 0.663 6063 V HN 0.442 nan 8.190 nan 0.000 0.454 6064 K N -1.167 118.904 120.400 -0.548 0.000 2.113 6064 K HA -0.258 4.062 4.320 0.000 0.000 0.208 6064 K C 1.891 177.956 176.600 -0.893 0.000 1.047 6064 K CA 2.284 58.152 56.287 -0.699 0.000 0.928 6064 K CB -0.214 31.867 32.500 -0.699 0.000 0.716 6064 K HN 0.584 nan 8.250 nan 0.000 0.446 6065 W N -1.001 120.006 121.300 -0.489 0.000 2.737 6065 W HA 0.011 4.671 4.660 0.000 0.000 0.262 6065 W C 1.765 178.258 176.519 -0.042 0.000 1.282 6065 W CA -0.155 57.013 57.345 -0.295 0.000 1.386 6065 W CB -0.038 29.306 29.460 -0.194 0.000 1.099 6065 W HN 0.143 nan 8.180 nan 0.000 0.621 6066 Y N -0.097 120.199 120.300 -0.006 0.000 2.439 6066 Y HA -0.197 4.353 4.550 0.000 0.000 0.292 6066 Y C 2.353 178.369 175.900 0.194 0.000 1.130 6066 Y CA 1.701 59.834 58.100 0.055 0.000 1.254 6066 Y CB -0.417 37.973 38.460 -0.115 0.000 1.000 6066 Y HN -0.107 nan 8.280 nan 0.000 0.554 6067 H N -0.461 118.705 119.070 0.159 0.000 2.256 6067 H HA -0.133 4.423 4.556 0.000 0.000 0.301 6067 H C 2.053 177.529 175.328 0.247 0.000 1.062 6067 H CA 1.904 58.047 56.048 0.158 0.000 1.283 6067 H CB -1.130 28.721 29.762 0.147 0.000 1.379 6067 H HN 0.272 nan 8.280 nan 0.000 0.493 6068 F N 1.414 121.420 119.950 0.093 0.000 2.115 6068 F HA -0.178 4.349 4.527 0.000 0.000 0.300 6068 F C 2.138 177.971 175.800 0.055 0.000 1.092 6068 F CA 1.183 59.181 58.000 -0.003 0.000 1.245 6068 F CB -0.899 37.996 39.000 -0.175 0.000 0.995 6068 F HN 0.189 nan 8.300 nan 0.000 0.481 6069 D N -1.879 118.718 120.400 0.328 0.000 2.277 6069 D HA -0.074 4.566 4.640 0.000 0.000 0.208 6069 D C 0.693 176.935 176.300 -0.096 0.000 0.962 6069 D CA 1.163 55.266 54.000 0.172 0.000 0.865 6069 D CB -0.246 40.714 40.800 0.268 0.000 0.939 6069 D HN 0.353 nan 8.370 nan 0.000 0.510 6070 H N -0.728 118.286 119.070 -0.094 0.000 2.676 6070 H HA 0.260 4.816 4.556 0.000 0.000 0.238 6070 H C -0.747 174.518 175.328 -0.105 0.000 1.276 6070 H CA -0.625 55.315 56.048 -0.180 0.000 0.983 6070 H CB -0.458 29.029 29.762 -0.458 0.000 2.000 6070 H HN -0.134 nan 8.280 nan 0.000 0.584 6071 N N 1.767 120.483 118.700 0.027 0.000 2.614 6071 N HA -0.241 4.499 4.740 0.000 0.000 0.276 6071 N C -0.734 174.783 175.510 0.012 0.000 1.119 6071 N CA 0.831 53.887 53.050 0.009 0.000 0.742 6071 N CB -0.710 37.769 38.487 -0.013 0.000 0.900 6071 N HN 0.629 nan 8.380 nan 0.000 0.549 6072 D N -1.010 119.402 120.400 0.020 0.000 2.903 6072 D HA -0.290 4.350 4.640 0.000 0.000 0.228 6072 D C 0.233 176.504 176.300 -0.048 0.000 1.178 6072 D CA 1.575 55.517 54.000 -0.098 0.000 0.740 6072 D CB -0.162 40.539 40.800 -0.165 0.000 1.077 6072 D HN 0.614 nan 8.370 nan 0.000 0.419 6073 K N 0.988 121.435 120.400 0.078 0.000 2.469 6073 K HA -0.021 4.299 4.320 0.000 0.000 0.274 6073 K C 0.227 177.011 176.600 0.307 0.000 0.983 6073 K CA -0.006 56.370 56.287 0.148 0.000 0.974 6073 K CB 0.585 33.150 32.500 0.109 0.000 0.913 6073 K HN -0.025 nan 8.250 nan 0.000 0.493 6074 K N 3.810 124.347 120.400 0.229 0.000 2.298 6074 K HA 0.059 4.379 4.320 0.000 0.000 0.280 6074 K C -0.544 176.184 176.600 0.212 0.000 1.032 6074 K CA -0.557 55.859 56.287 0.214 0.000 0.958 6074 K CB 0.524 33.097 32.500 0.123 0.000 0.978 6074 K HN 0.363 nan 8.250 nan 0.000 0.472 6075 L N 4.499 125.773 121.223 0.085 0.000 2.342 6075 L HA 0.083 4.423 4.340 0.000 0.000 0.285 6075 L C -0.611 176.213 176.870 -0.077 0.000 1.095 6075 L CA 0.475 55.205 54.840 -0.184 0.000 0.843 6075 L CB 0.208 42.057 42.059 -0.350 0.000 1.201 6075 L HN 0.536 nan 8.230 nan 0.000 0.445 6076 S N 5.001 120.666 115.700 -0.059 0.000 2.593 6076 S HA -0.072 4.398 4.470 0.000 0.000 0.300 6076 S C 1.531 176.121 174.600 -0.016 0.000 1.267 6076 S CA -0.291 57.905 58.200 -0.006 0.000 1.065 6076 S CB 0.287 63.490 63.200 0.005 0.000 0.807 6076 S HN 0.705 nan 8.310 nan 0.000 0.499 6077 I N 3.422 124.016 120.570 0.040 0.000 2.113 6077 I HA -0.315 3.855 4.170 0.000 0.000 0.242 6077 I C 2.273 178.368 176.117 -0.037 0.000 1.064 6077 I CA 1.982 63.321 61.300 0.064 0.000 1.320 6077 I CB -0.619 37.489 38.000 0.180 0.000 1.028 6077 I HN 0.904 nan 8.210 nan 0.000 0.406 6078 N N -0.351 118.352 118.700 0.004 0.000 2.348 6078 N HA -0.163 4.577 4.740 0.000 0.000 0.185 6078 N C 1.543 176.948 175.510 -0.174 0.000 1.019 6078 N CA 1.807 54.800 53.050 -0.096 0.000 0.880 6078 N CB -0.605 37.934 38.487 0.086 0.000 0.965 6078 N HN 0.414 nan 8.380 nan 0.000 0.437 6079 S N 0.510 116.134 115.700 -0.127 0.000 2.439 6079 S HA 0.239 4.709 4.470 0.000 0.000 0.224 6079 S C 2.212 176.704 174.600 -0.180 0.000 1.029 6079 S CA 0.459 58.574 58.200 -0.141 0.000 0.946 6079 S CB -0.091 63.022 63.200 -0.145 0.000 0.797 6079 S HN 0.621 nan 8.310 nan 0.000 0.504 6080 A N 2.035 124.762 122.820 -0.156 0.000 1.898 6080 A HA 0.213 4.533 4.320 0.000 0.000 0.216 6080 A C 2.350 179.816 177.584 -0.196 0.000 1.181 6080 A CA 1.508 53.524 52.037 -0.035 0.000 0.620 6080 A CB -1.167 17.921 19.000 0.148 0.000 0.819 6080 A HN 0.473 nan 8.150 nan 0.000 0.442 6081 A N 0.244 122.846 122.820 -0.363 0.000 1.869 6081 A HA -0.284 4.036 4.320 0.000 0.000 0.218 6081 A C 2.196 179.378 177.584 -0.670 0.000 1.203 6081 A CA 2.555 54.281 52.037 -0.518 0.000 0.638 6081 A CB -0.572 17.772 19.000 -1.095 0.000 0.831 6081 A HN 0.487 nan 8.150 nan 0.000 0.450 6082 R N 0.331 120.457 120.500 -0.623 0.000 2.127 6082 R HA -0.115 4.225 4.340 0.000 0.000 0.238 6082 R C 2.009 178.240 176.300 -0.116 0.000 1.134 6082 R CA 1.907 57.782 56.100 -0.377 0.000 0.975 6082 R CB -0.701 29.550 30.300 -0.082 0.000 0.865 6082 R HN 0.762 nan 8.270 nan 0.000 0.447 6083 N N -0.274 118.359 118.700 -0.112 0.000 2.270 6083 N HA -0.093 4.647 4.740 0.000 0.000 0.181 6083 N C 1.621 177.111 175.510 -0.033 0.000 1.016 6083 N CA 1.126 54.167 53.050 -0.015 0.000 0.870 6083 N CB 0.064 38.545 38.487 -0.009 0.000 0.979 6083 N HN 0.274 nan 8.380 nan 0.000 0.431 6084 I N 1.122 121.576 120.570 -0.194 0.000 2.315 6084 I HA -0.265 3.905 4.170 0.000 0.000 0.248 6084 I C 2.697 178.632 176.117 -0.303 0.000 1.117 6084 I CA 0.871 61.939 61.300 -0.387 0.000 1.404 6084 I CB -0.340 37.128 38.000 -0.886 0.000 1.071 6084 I HN 0.316 nan 8.210 nan 0.000 0.419 6085 Q N 0.678 120.358 119.800 -0.200 0.000 2.077 6085 Q HA -0.300 4.040 4.340 0.000 0.000 0.206 6085 Q C 2.051 178.011 176.000 -0.066 0.000 0.989 6085 Q CA 2.132 57.906 55.803 -0.048 0.000 0.853 6085 Q CB -0.136 28.604 28.738 0.003 0.000 0.907 6085 Q HN 0.563 nan 8.270 nan 0.000 0.418 6086 H N -0.402 118.666 119.070 -0.003 0.000 2.462 6086 H HA 0.018 4.574 4.556 0.000 0.000 0.292 6086 H C 1.812 177.174 175.328 0.056 0.000 1.049 6086 H CA 1.156 57.228 56.048 0.041 0.000 1.334 6086 H CB 0.196 29.965 29.762 0.013 0.000 1.404 6086 H HN 0.221 nan 8.280 nan 0.000 0.544 6087 L N -0.324 120.955 121.223 0.094 0.000 2.027 6087 L HA -0.151 4.189 4.340 0.000 0.000 0.206 6087 L C 1.937 178.884 176.870 0.127 0.000 1.074 6087 L CA 1.014 55.897 54.840 0.072 0.000 0.745 6087 L CB -0.257 41.783 42.059 -0.031 0.000 0.898 6087 L HN 0.306 nan 8.230 nan 0.000 0.433 6088 L N -1.790 119.476 121.223 0.071 0.000 2.027 6088 L HA -0.257 4.083 4.340 0.000 0.000 0.206 6088 L C 2.431 179.361 176.870 0.099 0.000 1.074 6088 L CA 1.267 56.188 54.840 0.135 0.000 0.745 6088 L CB -0.512 41.571 42.059 0.040 0.000 0.898 6088 L HN 0.198 nan 8.230 nan 0.000 0.433 6089 Y N 0.653 120.937 120.300 -0.026 0.000 2.509 6089 Y HA -0.079 4.471 4.550 0.000 0.000 0.293 6089 Y C 2.204 178.073 175.900 -0.053 0.000 1.133 6089 Y CA 0.830 58.884 58.100 -0.077 0.000 1.283 6089 Y CB -0.234 38.148 38.460 -0.129 0.000 1.001 6089 Y HN 0.083 nan 8.280 nan 0.000 0.555 6090 G N -0.156 108.715 108.800 0.118 0.000 2.418 6090 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 6090 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 6090 G C 1.272 176.169 174.900 -0.005 0.000 1.158 6090 G CA 0.451 45.607 45.100 0.093 0.000 0.771 6090 G HN 0.266 nan 8.290 nan 0.000 0.545 6091 K N 0.466 120.824 120.400 -0.069 0.000 2.994 6091 K HA 0.178 4.498 4.320 0.000 0.000 0.231 6091 K C 1.795 178.268 176.600 -0.212 0.000 1.174 6091 K CA -0.452 55.740 56.287 -0.158 0.000 1.221 6091 K CB 0.529 32.782 32.500 -0.413 0.000 1.166 6091 K HN 0.083 nan 8.250 nan 0.000 0.453 6092 R N 0.260 120.520 120.500 -0.399 0.000 2.127 6092 R HA -0.115 4.225 4.340 0.000 0.000 0.238 6092 R C 0.402 176.319 176.300 -0.639 0.000 1.134 6092 R CA 1.712 57.340 56.100 -0.787 0.000 0.975 6092 R CB -0.082 29.271 30.300 -1.578 0.000 0.865 6092 R HN 0.098 nan 8.270 nan 0.000 0.447 6093 F N -0.763 119.149 119.950 -0.063 0.000 2.837 6093 F HA 0.360 4.887 4.527 0.000 0.000 0.298 6093 F C -0.293 175.595 175.800 0.147 0.000 1.161 6093 F CA -0.390 57.619 58.000 0.015 0.000 1.353 6093 F CB 0.490 39.488 39.000 -0.002 0.000 0.951 6093 F HN -0.084 nan 8.300 nan 0.000 0.508 6094 F N 0.864 120.845 119.950 0.052 0.000 3.098 6094 F HA 0.242 4.769 4.527 0.000 0.000 0.473 6094 F C -3.180 172.623 175.800 0.005 0.000 0.900 6094 F CA -2.432 55.610 58.000 0.069 0.000 1.207 6094 F CB -0.465 38.553 39.000 0.032 0.000 2.914 6094 F HN -0.150 nan 8.300 nan 0.000 0.504 6095 P HA 0.162 nan 4.420 nan 0.000 0.272 6095 P C -0.833 176.449 177.300 -0.030 0.000 1.240 6095 P CA 0.239 63.326 63.100 -0.022 0.000 0.791 6095 P CB 0.496 32.228 31.700 0.053 0.000 0.978 6096 Y N -0.074 120.261 120.300 0.058 0.000 2.531 6096 Y HA 0.096 4.646 4.550 0.000 0.000 0.347 6096 Y C 0.632 176.605 175.900 0.122 0.000 1.024 6096 Y CA 0.252 58.405 58.100 0.088 0.000 1.306 6096 Y CB -0.649 37.809 38.460 -0.005 0.000 1.149 6096 Y HN 0.318 nan 8.280 nan 0.000 0.527 6097 Y N 5.170 125.585 120.300 0.191 0.000 2.518 6097 Y HA 0.381 4.931 4.550 0.000 0.000 0.337 6097 Y C -0.241 175.734 175.900 0.125 0.000 1.261 6097 Y CA -0.689 57.427 58.100 0.027 0.000 1.856 6097 Y CB -0.434 37.879 38.460 -0.246 0.000 1.798 6097 Y HN 0.312 nan 8.280 nan 0.000 0.440 6098 V N 1.410 121.298 119.914 -0.043 0.000 2.777 6098 V HA 0.363 4.483 4.120 0.000 0.000 0.306 6098 V C -1.165 174.904 176.094 -0.041 0.000 1.112 6098 V CA -1.167 61.119 62.300 -0.025 0.000 0.917 6098 V CB 1.407 33.246 31.823 0.028 0.000 1.018 6098 V HN 0.546 nan 8.190 nan 0.000 0.426 6099 H N 2.628 121.641 119.070 -0.095 0.000 2.668 6099 H HA 0.710 5.266 4.556 0.000 0.000 0.303 6099 H C -0.040 175.299 175.328 0.019 0.000 1.074 6099 H CA 0.980 57.008 56.048 -0.033 0.000 1.406 6099 H CB 1.264 30.998 29.762 -0.047 0.000 1.442 6099 H HN 1.171 nan 8.280 nan 0.000 0.482 6100 T N 5.998 120.407 114.554 -0.240 0.000 2.848 6100 T HA 0.520 4.870 4.350 0.000 0.000 0.285 6100 T C -0.947 173.798 174.700 0.075 0.000 0.995 6100 T CA -0.778 61.291 62.100 -0.052 0.000 0.970 6100 T CB 0.361 69.158 68.868 -0.119 0.000 0.976 6100 T HN 0.562 nan 8.240 nan 0.000 0.441 6101 I N 6.048 126.679 120.570 0.101 0.000 2.545 6101 I HA 0.565 4.735 4.170 0.000 0.000 0.292 6101 I C -0.230 175.959 176.117 0.119 0.000 1.040 6101 I CA -1.304 60.082 61.300 0.143 0.000 1.068 6101 I CB 2.090 40.162 38.000 0.119 0.000 1.251 6101 I HN 0.703 nan 8.210 nan 0.000 0.424 6102 I N 2.462 123.132 120.570 0.167 0.000 2.740 6102 I HA 1.002 5.172 4.170 0.000 0.000 0.303 6102 I C -0.853 175.337 176.117 0.122 0.000 1.044 6102 I CA -0.591 60.772 61.300 0.105 0.000 1.064 6102 I CB 2.264 40.301 38.000 0.061 0.000 1.249 6102 I HN 0.608 nan 8.210 nan 0.000 0.433 6103 A N 2.907 125.781 122.820 0.091 0.000 2.520 6103 A HA 0.974 5.294 4.320 0.000 0.000 0.298 6103 A C -0.401 177.232 177.584 0.081 0.000 1.051 6103 A CA 0.084 52.167 52.037 0.077 0.000 0.690 6103 A CB 1.564 20.593 19.000 0.049 0.000 1.281 6103 A HN 1.372 nan 8.150 nan 0.000 0.402 6104 G N -0.207 108.639 108.800 0.076 0.000 2.562 6104 G HA2 0.527 4.487 3.960 0.000 0.000 0.190 6104 G HA3 0.527 4.487 3.960 0.000 0.000 0.190 6104 G C -1.807 173.131 174.900 0.062 0.000 1.196 6104 G CA -0.523 44.624 45.100 0.078 0.000 0.986 6104 G HN 0.893 nan 8.290 nan 0.000 0.512 6105 L N 2.089 123.355 121.223 0.071 0.000 2.362 6105 L HA 0.389 4.729 4.340 0.000 0.000 0.275 6105 L C -0.612 176.297 176.870 0.066 0.000 0.998 6105 L CA -1.070 53.804 54.840 0.057 0.000 0.820 6105 L CB 1.969 44.064 42.059 0.060 0.000 1.270 6105 L HN 0.795 nan 8.230 nan 0.000 0.415 6106 D N 1.331 121.763 120.400 0.055 0.000 2.360 6106 D HA -0.031 4.609 4.640 0.000 0.000 0.242 6106 D C 0.609 176.942 176.300 0.054 0.000 1.184 6106 D CA -0.309 53.731 54.000 0.067 0.000 0.930 6106 D CB 0.820 41.653 40.800 0.054 0.000 1.161 6106 D HN 0.540 nan 8.370 nan 0.000 0.447 6107 E N -0.764 119.470 120.200 0.057 0.000 2.393 6107 E HA -0.170 4.180 4.350 0.000 0.000 0.201 6107 E C 0.342 176.965 176.600 0.039 0.000 1.025 6107 E CA 0.914 57.343 56.400 0.049 0.000 0.856 6107 E CB 0.070 29.800 29.700 0.049 0.000 0.771 6107 E HN 0.394 nan 8.360 nan 0.000 0.526 6108 D N -1.451 118.968 120.400 0.032 0.000 2.349 6108 D HA 0.077 4.718 4.640 0.000 0.000 0.214 6108 D C 1.243 177.557 176.300 0.024 0.000 1.063 6108 D CA 0.754 54.768 54.000 0.023 0.000 0.847 6108 D CB 0.843 41.650 40.800 0.012 0.000 0.933 6108 D HN 0.272 nan 8.370 nan 0.000 0.513 6109 G N 0.422 109.239 108.800 0.030 0.000 2.234 6109 G HA2 -0.254 3.706 3.960 0.000 0.000 0.235 6109 G HA3 -0.254 3.706 3.960 0.000 0.000 0.235 6109 G C 0.542 175.461 174.900 0.031 0.000 0.997 6109 G CA -0.146 44.975 45.100 0.036 0.000 0.623 6109 G HN 0.149 nan 8.290 nan 0.000 0.514 6110 K N 1.373 121.779 120.400 0.009 0.000 2.276 6110 K HA 0.485 4.805 4.320 0.000 0.000 0.259 6110 K C 1.045 177.624 176.600 -0.035 0.000 1.001 6110 K CA 0.289 56.565 56.287 -0.019 0.000 0.927 6110 K CB 0.249 32.721 32.500 -0.047 0.000 0.969 6110 K HN 0.456 nan 8.250 nan 0.000 0.490 6111 G N -0.365 108.384 108.800 -0.086 0.000 2.467 6111 G HA2 0.491 4.451 3.960 0.000 0.000 0.257 6111 G HA3 0.491 4.451 3.960 0.000 0.000 0.257 6111 G C -0.898 173.921 174.900 -0.134 0.000 1.227 6111 G CA -0.337 44.693 45.100 -0.118 0.000 0.835 6111 G HN 0.575 nan 8.290 nan 0.000 0.556 6112 A N 0.590 123.346 122.820 -0.107 0.000 2.515 6112 A HA 0.777 5.097 4.320 0.000 0.000 0.298 6112 A C -1.171 176.321 177.584 -0.154 0.000 1.059 6112 A CA -0.518 51.423 52.037 -0.160 0.000 0.698 6112 A CB 2.205 21.143 19.000 -0.103 0.000 1.289 6112 A HN 1.145 nan 8.150 nan 0.000 0.404 6113 V N 1.587 121.332 119.914 -0.280 0.000 2.760 6113 V HA 0.517 4.637 4.120 0.000 0.000 0.309 6113 V C -1.628 174.248 176.094 -0.364 0.000 1.077 6113 V CA -0.388 61.796 62.300 -0.192 0.000 0.910 6113 V CB 1.830 33.583 31.823 -0.118 0.000 1.008 6113 V HN 0.838 nan 8.190 nan 0.000 0.424 6114 Y N 1.946 122.209 120.300 -0.063 0.000 2.446 6114 Y HA 0.677 5.228 4.550 0.000 0.000 0.345 6114 Y C 0.412 176.151 175.900 -0.269 0.000 0.984 6114 Y CA -0.382 57.615 58.100 -0.171 0.000 1.058 6114 Y CB 2.353 40.720 38.460 -0.155 0.000 1.220 6114 Y HN 0.618 nan 8.280 nan 0.000 0.455 6115 S N 2.774 118.307 115.700 -0.278 0.000 2.568 6115 S HA 0.820 5.290 4.470 0.000 0.000 0.302 6115 S C -1.483 172.729 174.600 -0.647 0.000 1.082 6115 S CA -0.417 57.595 58.200 -0.314 0.000 1.009 6115 S CB 0.632 63.775 63.200 -0.096 0.000 1.069 6115 S HN 0.420 nan 8.310 nan 0.000 0.500 6116 F N 1.243 121.032 119.950 -0.268 0.000 2.576 6116 F HA 0.452 4.980 4.527 0.000 0.000 0.313 6116 F C 0.541 176.185 175.800 -0.260 0.000 1.078 6116 F CA -0.889 56.996 58.000 -0.191 0.000 0.921 6116 F CB 1.470 40.368 39.000 -0.169 0.000 1.232 6116 F HN 0.503 nan 8.300 nan 0.000 0.459 6117 D N 2.119 122.572 120.400 0.088 0.000 2.346 6117 D HA 0.165 4.806 4.640 0.000 0.000 0.249 6117 D C -1.614 174.713 176.300 0.045 0.000 1.308 6117 D CA -1.248 52.788 54.000 0.060 0.000 0.987 6117 D CB 0.405 41.252 40.800 0.079 0.000 1.114 6117 D HN 0.184 nan 8.370 nan 0.000 0.529 6118 P HA 0.013 nan 4.420 nan 0.000 0.240 6118 P C 0.659 177.980 177.300 0.035 0.000 1.190 6118 P CA 0.520 63.627 63.100 0.012 0.000 0.781 6118 P CB 0.359 32.031 31.700 -0.046 0.000 0.931 6119 V N -6.035 113.901 119.914 0.036 0.000 3.477 6119 V HA 0.636 4.756 4.120 0.000 0.000 0.297 6119 V C 1.212 177.397 176.094 0.151 0.000 1.433 6119 V CA 0.301 62.609 62.300 0.014 0.000 1.052 6119 V CB -0.475 31.309 31.823 -0.066 0.000 0.895 6119 V HN 0.196 nan 8.190 nan 0.000 0.438 6120 G N 0.479 109.383 108.800 0.173 0.000 2.148 6120 G HA2 -0.233 3.727 3.960 0.000 0.000 0.203 6120 G HA3 -0.233 3.727 3.960 0.000 0.000 0.203 6120 G C 0.217 175.285 174.900 0.280 0.000 0.993 6120 G CA 0.230 45.479 45.100 0.250 0.000 0.661 6120 G HN 0.982 nan 8.290 nan 0.000 0.518 6121 S N 0.516 116.334 115.700 0.196 0.000 2.525 6121 S HA 0.537 5.007 4.470 0.000 0.000 0.285 6121 S C 0.138 174.821 174.600 0.138 0.000 1.283 6121 S CA 0.310 58.585 58.200 0.126 0.000 1.072 6121 S CB -0.001 63.234 63.200 0.058 0.000 0.867 6121 S HN 1.517 nan 8.310 nan 0.000 0.492 6122 Y N 2.021 122.275 120.300 -0.076 0.000 2.462 6122 Y HA 0.872 5.423 4.550 0.000 0.000 0.346 6122 Y C -0.584 175.214 175.900 -0.171 0.000 0.976 6122 Y CA -1.202 56.726 58.100 -0.287 0.000 1.044 6122 Y CB 1.200 39.394 38.460 -0.443 0.000 1.230 6122 Y HN 0.544 nan 8.280 nan 0.000 0.455 6123 E N 1.770 121.861 120.200 -0.181 0.000 2.408 6123 E HA 0.439 4.789 4.350 0.000 0.000 0.275 6123 E C -1.560 174.996 176.600 -0.074 0.000 0.935 6123 E CA -1.146 55.155 56.400 -0.166 0.000 0.775 6123 E CB 1.999 31.607 29.700 -0.153 0.000 1.277 6123 E HN 0.734 nan 8.360 nan 0.000 0.455 6124 R N 1.712 122.139 120.500 -0.123 0.000 2.357 6124 R HA 0.365 4.705 4.340 0.000 0.000 0.296 6124 R C -0.740 175.390 176.300 -0.284 0.000 1.052 6124 R CA -0.111 55.758 56.100 -0.384 0.000 0.988 6124 R CB 0.808 30.817 30.300 -0.484 0.000 1.025 6124 R HN 0.512 nan 8.270 nan 0.000 0.469 6125 E N 1.355 121.377 120.200 -0.297 0.000 2.336 6125 E HA 0.043 4.393 4.350 0.000 0.000 0.267 6125 E C -0.081 176.408 176.600 -0.185 0.000 0.906 6125 E CA -0.534 55.752 56.400 -0.190 0.000 0.781 6125 E CB 2.134 31.757 29.700 -0.129 0.000 1.261 6125 E HN 0.644 nan 8.360 nan 0.000 0.436 6126 Q N 1.256 120.971 119.800 -0.143 0.000 2.033 6126 Q HA 0.041 4.381 4.340 0.000 0.000 0.196 6126 Q C -0.285 175.658 176.000 -0.095 0.000 0.970 6126 Q CA 1.228 56.953 55.803 -0.130 0.000 0.828 6126 Q CB 0.277 28.945 28.738 -0.115 0.000 0.895 6126 Q HN 0.551 nan 8.270 nan 0.000 0.440 6127 C N -0.284 118.972 119.300 -0.074 0.000 2.989 6127 C HA 0.857 5.317 4.460 0.000 0.000 0.397 6127 C C -1.216 173.753 174.990 -0.034 0.000 1.022 6127 C CA -1.206 57.785 59.018 -0.046 0.000 1.232 6127 C CB 1.082 28.802 27.740 -0.033 0.000 1.638 6127 C HN 0.523 nan 8.230 nan 0.000 0.534 6128 R N 2.456 122.950 120.500 -0.010 0.000 2.686 6128 R HA 0.857 5.197 4.340 0.000 0.000 0.283 6128 R C -0.635 175.678 176.300 0.021 0.000 0.978 6128 R CA 0.236 56.339 56.100 0.005 0.000 0.897 6128 R CB 1.882 32.205 30.300 0.038 0.000 1.192 6128 R HN 1.488 nan 8.270 nan 0.000 0.457 6129 A N 1.785 124.594 122.820 -0.018 0.000 2.340 6129 A HA 0.843 5.163 4.320 0.000 0.000 0.331 6129 A C -0.550 176.956 177.584 -0.130 0.000 1.140 6129 A CA -0.328 51.687 52.037 -0.038 0.000 0.801 6129 A CB 1.600 20.556 19.000 -0.073 0.000 1.234 6129 A HN 0.813 nan 8.150 nan 0.000 0.469 6130 G N -0.949 107.776 108.800 -0.125 0.000 2.605 6130 G HA2 0.833 4.793 3.960 0.000 0.000 0.296 6130 G HA3 0.833 4.793 3.960 0.000 0.000 0.296 6130 G C 0.016 174.826 174.900 -0.150 0.000 1.304 6130 G CA -0.063 44.843 45.100 -0.324 0.000 0.941 6130 G HN 2.285 nan 8.290 nan 0.000 0.475 6131 G N -1.110 107.593 108.800 -0.161 0.000 2.483 6131 G HA2 0.390 4.350 3.960 0.000 0.000 0.521 6131 G HA3 0.390 4.350 3.960 0.000 0.000 0.521 6131 G C 1.014 175.845 174.900 -0.115 0.000 1.278 6131 G CA 0.513 45.557 45.100 -0.092 0.000 0.965 6131 G HN 1.849 nan 8.290 nan 0.000 0.504 6132 A N -0.579 122.163 122.820 -0.129 0.000 1.873 6132 A HA 0.441 4.761 4.320 0.000 0.000 0.215 6132 A C 2.642 180.123 177.584 -0.172 0.000 1.186 6132 A CA 3.054 55.015 52.037 -0.128 0.000 0.616 6132 A CB -0.790 18.094 19.000 -0.193 0.000 0.823 6132 A HN 2.452 nan 8.150 nan 0.000 0.442 6133 A N -0.546 122.066 122.820 -0.347 0.000 2.291 6133 A HA 0.539 4.859 4.320 0.000 0.000 0.220 6133 A C 1.925 179.408 177.584 -0.169 0.000 1.262 6133 A CA 1.006 52.891 52.037 -0.253 0.000 0.867 6133 A CB -0.847 17.946 19.000 -0.345 0.000 0.888 6133 A HN 0.886 nan 8.150 nan 0.000 0.487 6134 A N 0.675 123.409 122.820 -0.145 0.000 1.917 6134 A HA -0.176 4.144 4.320 0.000 0.000 0.219 6134 A C 2.423 179.952 177.584 -0.092 0.000 1.182 6134 A CA 2.250 54.207 52.037 -0.132 0.000 0.633 6134 A CB -0.885 18.026 19.000 -0.150 0.000 0.819 6134 A HN 0.928 nan 8.150 nan 0.000 0.448 6135 S N -0.739 114.926 115.700 -0.058 0.000 2.481 6135 S HA 0.011 4.481 4.470 0.000 0.000 0.231 6135 S C 1.291 175.878 174.600 -0.021 0.000 0.996 6135 S CA 1.240 59.422 58.200 -0.030 0.000 0.942 6135 S CB -0.279 62.915 63.200 -0.010 0.000 0.768 6135 S HN 0.270 nan 8.310 nan 0.000 0.520 6136 L N 0.334 121.536 121.223 -0.035 0.000 2.529 6136 L HA 0.415 4.755 4.340 0.000 0.000 0.223 6136 L C 1.845 178.683 176.870 -0.054 0.000 1.113 6136 L CA 0.730 55.547 54.840 -0.039 0.000 0.861 6136 L CB -0.499 41.533 42.059 -0.044 0.000 1.012 6136 L HN 0.324 nan 8.230 nan 0.000 0.461 6137 I N -2.163 118.366 120.570 -0.068 0.000 2.681 6137 I HA -0.084 4.086 4.170 0.000 0.000 0.247 6137 I C 2.122 178.269 176.117 0.051 0.000 1.091 6137 I CA 0.229 61.508 61.300 -0.035 0.000 1.442 6137 I CB -0.130 37.783 38.000 -0.146 0.000 1.219 6137 I HN 0.081 nan 8.210 nan 0.000 0.451 6138 M N 0.838 120.437 119.600 -0.002 0.000 2.089 6138 M HA -0.153 4.327 4.480 0.000 0.000 0.257 6138 M C -0.290 176.019 176.300 0.016 0.000 1.071 6138 M CA 2.336 57.634 55.300 -0.003 0.000 1.096 6138 M CB -2.588 29.995 32.600 -0.028 0.000 1.330 6138 M HN 0.042 nan 8.290 nan 0.000 0.403 6139 P HA -0.181 nan 4.420 nan 0.000 0.215 6139 P C 1.740 179.083 177.300 0.072 0.000 1.157 6139 P CA 1.197 64.323 63.100 0.043 0.000 0.868 6139 P CB -0.427 31.305 31.700 0.053 0.000 0.788 6140 F N 0.038 119.970 119.950 -0.031 0.000 2.126 6140 F HA -0.198 4.329 4.527 0.000 0.000 0.299 6140 F C 1.848 177.631 175.800 -0.028 0.000 1.096 6140 F CA 1.417 59.403 58.000 -0.024 0.000 1.255 6140 F CB -1.003 37.979 39.000 -0.031 0.000 0.997 6140 F HN -0.249 nan 8.300 nan 0.000 0.479 6141 L N 0.737 121.875 121.223 -0.142 0.000 2.027 6141 L HA -0.202 4.138 4.340 0.000 0.000 0.206 6141 L C 2.135 178.863 176.870 -0.237 0.000 1.074 6141 L CA 1.780 56.470 54.840 -0.251 0.000 0.745 6141 L CB -1.324 40.684 42.059 -0.086 0.000 0.898 6141 L HN 0.082 nan 8.230 nan 0.000 0.433 6142 D N -0.874 119.443 120.400 -0.139 0.000 2.203 6142 D HA -0.243 4.397 4.640 0.000 0.000 0.199 6142 D C 1.990 178.210 176.300 -0.134 0.000 0.997 6142 D CA 1.226 55.156 54.000 -0.116 0.000 0.863 6142 D CB -0.152 40.612 40.800 -0.060 0.000 0.928 6142 D HN 0.473 nan 8.370 nan 0.000 0.458 6143 N N -0.315 118.294 118.700 -0.152 0.000 2.278 6143 N HA -0.080 4.660 4.740 0.000 0.000 0.181 6143 N C 1.235 176.673 175.510 -0.121 0.000 1.023 6143 N CA 0.431 53.422 53.050 -0.098 0.000 0.862 6143 N CB 0.301 38.756 38.487 -0.054 0.000 1.003 6143 N HN 0.025 nan 8.380 nan 0.000 0.431 6144 Q N 0.285 119.889 119.800 -0.327 0.000 2.360 6144 Q HA 0.120 4.460 4.340 0.000 0.000 0.202 6144 Q C 1.418 177.187 176.000 -0.385 0.000 0.915 6144 Q CA 0.201 55.833 55.803 -0.285 0.000 0.943 6144 Q CB 1.178 29.601 28.738 -0.525 0.000 1.064 6144 Q HN 0.281 nan 8.270 nan 0.000 0.511 6145 V N 0.508 120.124 119.914 -0.497 0.000 3.013 6145 V HA 0.044 4.164 4.120 0.000 0.000 0.238 6145 V C 0.985 176.641 176.094 -0.730 0.000 1.161 6145 V CA 0.616 62.579 62.300 -0.561 0.000 1.170 6145 V CB 0.281 31.916 31.823 -0.314 0.000 0.917 6145 V HN 0.225 nan 8.190 nan 0.000 0.478 6146 N N 0.167 118.563 118.700 -0.506 0.000 2.230 6146 N HA 0.128 4.868 4.740 0.000 0.000 0.202 6146 N C -0.098 175.250 175.510 -0.270 0.000 1.119 6146 N CA -0.077 52.757 53.050 -0.360 0.000 0.851 6146 N CB 0.237 38.619 38.487 -0.174 0.000 0.990 6146 N HN 0.342 nan 8.380 nan 0.000 0.497 6147 F N 0.664 120.570 119.950 -0.073 0.000 2.783 6147 F HA -0.276 4.251 4.527 0.000 0.000 0.222 6147 F C 0.719 176.471 175.800 -0.079 0.000 1.028 6147 F CA 0.319 58.272 58.000 -0.077 0.000 0.862 6147 F CB -1.878 37.080 39.000 -0.070 0.000 0.744 6147 F HN -0.154 nan 8.300 nan 0.000 0.850 6148 K N 0.404 120.832 120.400 0.046 0.000 2.168 6148 K HA 0.201 4.521 4.320 0.000 0.000 0.258 6148 K C 1.162 177.790 176.600 0.047 0.000 1.010 6148 K CA -0.154 56.143 56.287 0.017 0.000 0.929 6148 K CB 0.401 32.897 32.500 -0.007 0.000 0.998 6148 K HN 0.439 nan 8.250 nan 0.000 0.479 6149 N N 0.271 119.005 118.700 0.058 0.000 2.690 6149 N HA -0.255 4.485 4.740 0.000 0.000 0.249 6149 N C -0.713 174.921 175.510 0.206 0.000 1.125 6149 N CA 0.906 54.048 53.050 0.153 0.000 0.794 6149 N CB -0.424 38.134 38.487 0.119 0.000 1.152 6149 N HN 0.473 nan 8.380 nan 0.000 0.571 6150 Q N 0.034 119.894 119.800 0.099 0.000 2.290 6150 Q HA 0.391 4.731 4.340 0.000 0.000 0.259 6150 Q C -0.974 175.021 176.000 -0.008 0.000 0.941 6150 Q CA -0.260 55.605 55.803 0.104 0.000 0.912 6150 Q CB 1.016 29.788 28.738 0.056 0.000 1.244 6150 Q HN 0.195 nan 8.270 nan 0.000 0.441 6151 Y N 0.230 120.525 120.300 -0.008 0.000 2.621 6151 Y HA 0.208 4.758 4.550 0.000 0.000 0.334 6151 Y C 0.393 176.274 175.900 -0.032 0.000 1.074 6151 Y CA -1.013 57.078 58.100 -0.014 0.000 1.149 6151 Y CB 1.164 39.620 38.460 -0.007 0.000 1.302 6151 Y HN 0.414 nan 8.280 nan 0.000 0.501 6152 E N 2.814 123.083 120.200 0.114 0.000 2.290 6152 E HA 0.192 4.542 4.350 0.000 0.000 0.277 6152 E C -2.455 174.182 176.600 0.060 0.000 1.035 6152 E CA -1.828 54.600 56.400 0.045 0.000 0.873 6152 E CB 0.542 30.255 29.700 0.021 0.000 1.029 6152 E HN 0.250 nan 8.360 nan 0.000 0.419 6153 P HA -0.032 nan 4.420 nan 0.000 0.264 6153 P C 0.552 177.862 177.300 0.016 0.000 1.183 6153 P CA 0.586 63.698 63.100 0.020 0.000 0.763 6153 P CB 0.415 32.117 31.700 0.003 0.000 0.807 6154 G N 2.406 111.212 108.800 0.010 0.000 2.258 6154 G HA2 -0.272 3.688 3.960 0.000 0.000 0.274 6154 G HA3 -0.272 3.688 3.960 0.000 0.000 0.274 6154 G C 0.565 175.471 174.900 0.011 0.000 1.021 6154 G CA 0.695 45.798 45.100 0.005 0.000 0.798 6154 G HN 0.730 nan 8.290 nan 0.000 0.507 6155 T N -2.976 111.592 114.554 0.024 0.000 3.174 6155 T HA 0.331 4.681 4.350 0.000 0.000 0.269 6155 T C 1.206 175.921 174.700 0.025 0.000 1.017 6155 T CA 0.823 62.942 62.100 0.031 0.000 0.899 6155 T CB 0.024 68.924 68.868 0.054 0.000 1.077 6155 T HN 1.091 nan 8.240 nan 0.000 0.552 6156 N N 1.482 120.182 118.700 -0.000 0.000 1.910 6156 N HA -0.241 4.499 4.740 0.000 0.000 0.214 6156 N C 0.861 176.322 175.510 -0.081 0.000 1.113 6156 N CA 2.098 55.129 53.050 -0.030 0.000 3.595 6156 N CB -1.470 37.005 38.487 -0.020 0.000 0.733 6156 N HN 1.249 nan 8.380 nan 0.000 0.352 6157 G N 0.025 108.793 108.800 -0.054 0.000 2.370 6157 G HA2 0.033 3.993 3.960 0.000 0.000 0.225 6157 G HA3 0.033 3.993 3.960 0.000 0.000 0.225 6157 G C 0.339 175.275 174.900 0.060 0.000 1.109 6157 G CA 0.407 45.377 45.100 -0.217 0.000 0.871 6157 G HN 0.367 nan 8.290 nan 0.000 0.498 6158 K N -0.481 120.036 120.400 0.194 0.000 2.436 6158 K HA 0.332 4.652 4.320 0.000 0.000 0.198 6158 K C 0.712 177.416 176.600 0.173 0.000 1.174 6158 K CA 0.238 56.630 56.287 0.174 0.000 0.951 6158 K CB 1.409 33.957 32.500 0.080 0.000 1.040 6158 K HN 0.321 nan 8.250 nan 0.000 0.536 6159 V N 4.295 124.313 119.914 0.174 0.000 2.328 6159 V HA 0.197 4.317 4.120 0.000 0.000 0.278 6159 V C 0.134 176.214 176.094 -0.023 0.000 1.021 6159 V CA -0.910 61.429 62.300 0.064 0.000 0.838 6159 V CB 1.200 33.048 31.823 0.043 0.000 0.999 6159 V HN 0.056 nan 8.190 nan 0.000 0.447 6160 K N 3.547 123.843 120.400 -0.173 0.000 2.355 6160 K HA 0.159 4.479 4.320 0.000 0.000 0.270 6160 K C 0.254 176.740 176.600 -0.191 0.000 1.003 6160 K CA -0.377 55.692 56.287 -0.365 0.000 0.957 6160 K CB 0.998 33.318 32.500 -0.300 0.000 0.939 6160 K HN 0.531 nan 8.250 nan 0.000 0.482 6161 K N 4.256 124.541 120.400 -0.192 0.000 2.447 6161 K HA 0.042 4.362 4.320 0.000 0.000 0.281 6161 K C -2.044 174.507 176.600 -0.083 0.000 1.031 6161 K CA -1.233 54.971 56.287 -0.139 0.000 1.019 6161 K CB 0.337 32.722 32.500 -0.191 0.000 0.918 6161 K HN 0.294 nan 8.250 nan 0.000 0.476 6162 P HA -0.027 nan 4.420 nan 0.000 0.267 6162 P C -0.476 176.887 177.300 0.105 0.000 1.209 6162 P CA 0.021 63.121 63.100 0.001 0.000 0.763 6162 P CB 0.501 32.188 31.700 -0.020 0.000 0.816 6163 L N 3.713 125.052 121.223 0.194 0.000 2.477 6163 L HA 0.083 4.423 4.340 0.000 0.000 0.272 6163 L C 1.223 178.270 176.870 0.295 0.000 1.157 6163 L CA 0.594 55.633 54.840 0.331 0.000 0.889 6163 L CB -0.035 42.129 42.059 0.175 0.000 1.158 6163 L HN 0.380 nan 8.230 nan 0.000 0.473 6164 K N 3.166 123.827 120.400 0.434 0.000 2.139 6164 K HA 0.358 4.678 4.320 0.000 0.000 0.243 6164 K C -1.423 175.368 176.600 0.318 0.000 0.983 6164 K CA -0.671 55.790 56.287 0.291 0.000 0.890 6164 K CB 1.165 33.809 32.500 0.239 0.000 1.090 6164 K HN 0.346 nan 8.250 nan 0.000 0.445 6165 Y N 1.346 121.701 120.300 0.091 0.000 2.429 6165 Y HA 0.364 4.914 4.550 0.000 0.000 0.342 6165 Y C -0.847 175.114 175.900 0.102 0.000 1.004 6165 Y CA -0.928 57.219 58.100 0.078 0.000 1.075 6165 Y CB 1.298 39.791 38.460 0.055 0.000 1.214 6165 Y HN 0.339 nan 8.280 nan 0.000 0.455 6166 L N 3.605 124.528 121.223 -0.500 0.000 2.307 6166 L HA 0.511 4.851 4.340 0.000 0.000 0.284 6166 L C 0.056 176.912 176.870 -0.023 0.000 1.023 6166 L CA -0.910 53.779 54.840 -0.253 0.000 0.810 6166 L CB 1.559 43.382 42.059 -0.393 0.000 1.231 6166 L HN 0.578 nan 8.230 nan 0.000 0.423 6167 S N 0.754 116.429 115.700 -0.042 0.000 2.563 6167 S HA 0.017 4.487 4.470 0.000 0.000 0.284 6167 S C 1.206 175.681 174.600 -0.209 0.000 1.331 6167 S CA -0.491 57.642 58.200 -0.112 0.000 1.047 6167 S CB 1.392 64.534 63.200 -0.096 0.000 0.859 6167 S HN 0.544 nan 8.310 nan 0.000 0.514 6168 V N 1.772 121.319 119.914 -0.610 0.000 2.546 6168 V HA -0.223 3.897 4.120 0.000 0.000 0.254 6168 V C 2.094 178.072 176.094 -0.193 0.000 1.076 6168 V CA 2.398 64.292 62.300 -0.677 0.000 1.087 6168 V CB -0.974 30.315 31.823 -0.891 0.000 0.674 6168 V HN 0.944 nan 8.190 nan 0.000 0.470 6169 E N -0.376 119.735 120.200 -0.149 0.000 2.208 6169 E HA -0.161 4.189 4.350 0.000 0.000 0.193 6169 E C 2.118 178.698 176.600 -0.033 0.000 0.988 6169 E CA 1.238 57.599 56.400 -0.065 0.000 0.828 6169 E CB -0.052 29.614 29.700 -0.058 0.000 0.763 6169 E HN 0.710 nan 8.360 nan 0.000 0.478 6170 E N -0.360 119.819 120.200 -0.035 0.000 2.051 6170 E HA -0.090 4.260 4.350 0.000 0.000 0.189 6170 E C 1.902 178.507 176.600 0.008 0.000 0.979 6170 E CA 0.658 57.048 56.400 -0.016 0.000 0.803 6170 E CB 0.133 29.814 29.700 -0.031 0.000 0.761 6170 E HN 0.003 nan 8.360 nan 0.000 0.451 6171 V N 1.019 120.955 119.914 0.037 0.000 2.282 6171 V HA -0.299 3.821 4.120 0.000 0.000 0.249 6171 V C 2.244 178.396 176.094 0.096 0.000 1.057 6171 V CA 1.779 64.130 62.300 0.085 0.000 1.032 6171 V CB -0.431 31.520 31.823 0.213 0.000 0.645 6171 V HN 0.342 nan 8.190 nan 0.000 0.447 6172 I N -0.576 120.046 120.570 0.086 0.000 2.248 6172 I HA -0.310 3.860 4.170 0.000 0.000 0.248 6172 I C 2.565 178.697 176.117 0.025 0.000 1.107 6172 I CA 1.694 63.038 61.300 0.074 0.000 1.373 6172 I CB -0.327 37.715 38.000 0.070 0.000 1.055 6172 I HN 0.323 nan 8.210 nan 0.000 0.418 6173 K N 0.500 120.905 120.400 0.009 0.000 1.991 6173 K HA -0.186 4.134 4.320 0.000 0.000 0.212 6173 K C 2.043 178.681 176.600 0.063 0.000 1.049 6173 K CA 1.425 57.713 56.287 0.001 0.000 0.932 6173 K CB -0.358 32.145 32.500 0.005 0.000 0.717 6173 K HN 0.296 nan 8.250 nan 0.000 0.441 6174 L N 0.866 122.149 121.223 0.100 0.000 2.083 6174 L HA -0.185 4.155 4.340 0.000 0.000 0.209 6174 L C 2.436 179.450 176.870 0.241 0.000 1.083 6174 L CA 0.762 55.718 54.840 0.194 0.000 0.752 6174 L CB -0.565 41.562 42.059 0.112 0.000 0.899 6174 L HN 0.022 nan 8.230 nan 0.000 0.433 6175 V N 0.830 120.860 119.914 0.194 0.000 2.261 6175 V HA -0.269 3.851 4.120 0.000 0.000 0.246 6175 V C 2.457 178.741 176.094 0.316 0.000 1.047 6175 V CA 2.227 64.693 62.300 0.278 0.000 1.015 6175 V CB -0.646 31.315 31.823 0.229 0.000 0.642 6175 V HN 0.609 nan 8.190 nan 0.000 0.446 6176 R N -0.191 120.394 120.500 0.142 0.000 2.323 6176 R HA -0.016 4.324 4.340 0.000 0.000 0.198 6176 R C 0.900 177.239 176.300 0.065 0.000 0.988 6176 R CA 1.156 57.300 56.100 0.073 0.000 1.041 6176 R CB -0.282 29.930 30.300 -0.145 0.000 0.926 6176 R HN 0.393 nan 8.270 nan 0.000 0.476 6177 D N 0.181 120.632 120.400 0.084 0.000 2.422 6177 D HA 0.097 4.737 4.640 0.000 0.000 0.218 6177 D C 1.388 177.622 176.300 -0.110 0.000 1.047 6177 D CA 0.445 54.443 54.000 -0.004 0.000 0.885 6177 D CB 0.415 41.225 40.800 0.016 0.000 1.035 6177 D HN 0.075 nan 8.370 nan 0.000 0.502 6178 S N 0.201 115.900 115.700 -0.002 0.000 2.368 6178 S HA -0.099 4.371 4.470 0.000 0.000 0.225 6178 S C 1.702 176.193 174.600 -0.183 0.000 1.030 6178 S CA 0.848 58.969 58.200 -0.132 0.000 0.999 6178 S CB -0.227 62.995 63.200 0.037 0.000 0.844 6178 S HN 0.194 nan 8.310 nan 0.000 0.459 6179 F N 2.130 122.056 119.950 -0.041 0.000 2.128 6179 F HA -0.081 4.446 4.527 0.000 0.000 0.295 6179 F C 2.971 178.745 175.800 -0.043 0.000 1.100 6179 F CA 1.400 59.383 58.000 -0.028 0.000 1.260 6179 F CB -1.323 37.681 39.000 0.006 0.000 1.009 6179 F HN 0.218 nan 8.300 nan 0.000 0.476 6180 T N -2.762 111.862 114.554 0.117 0.000 2.803 6180 T HA -0.182 4.168 4.350 0.000 0.000 0.269 6180 T C 2.118 176.807 174.700 -0.018 0.000 1.052 6180 T CA 1.477 63.600 62.100 0.038 0.000 1.136 6180 T CB -0.779 68.090 68.868 0.001 0.000 0.864 6180 T HN 0.118 nan 8.240 nan 0.000 0.467 6181 S N 1.978 117.628 115.700 -0.084 0.000 2.349 6181 S HA 0.066 4.536 4.470 0.000 0.000 0.216 6181 S C 2.723 177.272 174.600 -0.084 0.000 1.033 6181 S CA 1.072 59.196 58.200 -0.127 0.000 1.021 6181 S CB -1.090 61.958 63.200 -0.253 0.000 0.968 6181 S HN 0.733 nan 8.310 nan 0.000 0.426 6182 A N 1.147 123.901 122.820 -0.110 0.000 1.940 6182 A HA -0.224 4.096 4.320 0.000 0.000 0.221 6182 A C 2.265 179.856 177.584 0.011 0.000 1.190 6182 A CA 2.449 54.443 52.037 -0.072 0.000 0.647 6182 A CB -1.648 17.250 19.000 -0.170 0.000 0.821 6182 A HN 0.534 nan 8.150 nan 0.000 0.457 6183 T N -0.144 114.429 114.554 0.031 0.000 2.803 6183 T HA -0.137 4.213 4.350 0.000 0.000 0.269 6183 T C 1.739 176.473 174.700 0.058 0.000 1.052 6183 T CA 1.525 63.666 62.100 0.068 0.000 1.136 6183 T CB -0.224 68.690 68.868 0.077 0.000 0.864 6183 T HN 0.561 nan 8.240 nan 0.000 0.467 6184 E N 0.889 121.107 120.200 0.030 0.000 2.072 6184 E HA 0.006 4.356 4.350 0.000 0.000 0.190 6184 E C 2.148 178.762 176.600 0.022 0.000 0.982 6184 E CA 0.792 57.203 56.400 0.019 0.000 0.803 6184 E CB 0.015 29.713 29.700 -0.003 0.000 0.755 6184 E HN 0.327 nan 8.360 nan 0.000 0.453 6185 R N -0.096 120.418 120.500 0.024 0.000 2.397 6185 R HA 0.176 4.516 4.340 0.000 0.000 0.241 6185 R C 0.131 176.453 176.300 0.037 0.000 0.914 6185 R CA 0.026 56.137 56.100 0.018 0.000 1.071 6185 R CB 0.102 30.402 30.300 -0.000 0.000 1.116 6185 R HN 0.195 nan 8.270 nan 0.000 0.524 6186 H N 0.100 119.164 119.070 -0.011 0.000 2.529 6186 H HA 0.236 4.793 4.556 0.000 0.000 0.348 6186 H C 1.334 176.669 175.328 0.012 0.000 1.079 6186 H CA -0.408 55.637 56.048 -0.005 0.000 1.198 6186 H CB 1.276 31.027 29.762 -0.019 0.000 1.521 6186 H HN -0.055 nan 8.280 nan 0.000 0.514 6187 I N 0.807 121.449 120.570 0.120 0.000 3.419 6187 I HA 0.073 4.243 4.170 0.000 0.000 0.286 6187 I C 1.377 177.599 176.117 0.174 0.000 1.268 6187 I CA 0.528 61.900 61.300 0.120 0.000 1.414 6187 I CB 0.112 38.151 38.000 0.065 0.000 1.074 6187 I HN 0.516 nan 8.210 nan 0.000 0.457 6188 Q N 0.901 120.915 119.800 0.356 0.000 2.360 6188 Q HA 0.265 4.606 4.340 0.000 0.000 0.202 6188 Q C -0.144 175.911 176.000 0.092 0.000 0.915 6188 Q CA 0.045 55.973 55.803 0.208 0.000 0.943 6188 Q CB 0.931 29.802 28.738 0.220 0.000 1.064 6188 Q HN 0.379 nan 8.270 nan 0.000 0.511 6189 V N -0.090 119.887 119.914 0.105 0.000 2.513 6189 V HA 0.828 4.948 4.120 0.000 0.000 0.299 6189 V C 0.323 176.480 176.094 0.105 0.000 1.035 6189 V CA -0.082 62.261 62.300 0.071 0.000 0.889 6189 V CB 1.471 33.309 31.823 0.025 0.000 0.988 6189 V HN 0.350 nan 8.190 nan 0.000 0.440 6190 G N 2.531 111.399 108.800 0.114 0.000 2.333 6190 G HA2 0.456 4.416 3.960 0.000 0.000 0.288 6190 G HA3 0.456 4.416 3.960 0.000 0.000 0.288 6190 G C -0.736 174.232 174.900 0.113 0.000 1.286 6190 G CA 0.357 45.523 45.100 0.110 0.000 0.865 6190 G HN 0.533 nan 8.290 nan 0.000 0.506 6191 D N -1.652 118.813 120.400 0.109 0.000 3.562 6191 D HA -0.118 4.522 4.640 0.000 0.000 0.214 6191 D C 0.814 177.220 176.300 0.178 0.000 1.107 6191 D CA 3.211 57.288 54.000 0.129 0.000 2.251 6191 D CB -1.456 39.421 40.800 0.128 0.000 1.226 6191 D HN 1.906 nan 8.370 nan 0.000 0.493 6192 G N -0.196 108.728 108.800 0.207 0.000 2.720 6192 G HA2 0.559 4.519 3.960 0.000 0.000 0.295 6192 G HA3 0.559 4.519 3.960 0.000 0.000 0.295 6192 G C -2.086 172.955 174.900 0.235 0.000 1.437 6192 G CA -0.368 44.938 45.100 0.343 0.000 0.886 6192 G HN 0.267 nan 8.290 nan 0.000 0.509 6193 L N 0.437 121.788 121.223 0.214 0.000 2.372 6193 L HA 0.744 5.084 4.340 0.000 0.000 0.274 6193 L C -0.427 176.557 176.870 0.191 0.000 0.988 6193 L CA -0.565 54.287 54.840 0.019 0.000 0.833 6193 L CB 1.868 43.832 42.059 -0.157 0.000 1.236 6193 L HN 0.599 nan 8.230 nan 0.000 0.410 6194 E N 5.117 125.366 120.200 0.081 0.000 2.176 6194 E HA 0.581 4.931 4.350 0.000 0.000 0.267 6194 E C -1.395 175.193 176.600 -0.021 0.000 0.893 6194 E CA -0.586 55.867 56.400 0.087 0.000 0.761 6194 E CB 1.361 31.060 29.700 -0.002 0.000 1.133 6194 E HN 0.640 nan 8.360 nan 0.000 0.409 6195 I N 4.374 124.949 120.570 0.008 0.000 2.465 6195 I HA 0.273 4.443 4.170 0.000 0.000 0.291 6195 I C -0.969 175.161 176.117 0.022 0.000 1.014 6195 I CA -1.067 60.244 61.300 0.018 0.000 1.093 6195 I CB 1.266 39.307 38.000 0.069 0.000 1.267 6195 I HN 0.319 nan 8.210 nan 0.000 0.431 6196 L N 7.082 128.319 121.223 0.024 0.000 2.307 6196 L HA 0.536 4.876 4.340 0.000 0.000 0.282 6196 L C -0.256 176.657 176.870 0.071 0.000 1.051 6196 L CA -0.185 54.677 54.840 0.037 0.000 0.804 6196 L CB 1.199 43.275 42.059 0.028 0.000 1.197 6196 L HN 0.392 nan 8.230 nan 0.000 0.431 6197 I N 3.740 124.357 120.570 0.080 0.000 2.418 6197 I HA 0.414 4.584 4.170 0.000 0.000 0.287 6197 I C -0.808 175.376 176.117 0.112 0.000 1.008 6197 I CA -0.861 60.508 61.300 0.115 0.000 1.104 6197 I CB 1.983 40.048 38.000 0.110 0.000 1.264 6197 I HN 0.101 nan 8.210 nan 0.000 0.438 6198 V N 5.234 125.232 119.914 0.139 0.000 2.370 6198 V HA 0.514 4.634 4.120 0.000 0.000 0.283 6198 V C 0.314 176.503 176.094 0.158 0.000 1.023 6198 V CA -0.261 62.114 62.300 0.124 0.000 0.857 6198 V CB 1.436 33.322 31.823 0.104 0.000 0.985 6198 V HN 0.902 nan 8.190 nan 0.000 0.443 6199 T N 1.466 116.094 114.554 0.124 0.000 2.883 6199 T HA 0.405 4.755 4.350 0.000 0.000 0.284 6199 T C 0.901 175.657 174.700 0.093 0.000 1.041 6199 T CA -0.809 61.366 62.100 0.125 0.000 1.007 6199 T CB 1.673 70.595 68.868 0.090 0.000 1.220 6199 T HN 0.654 nan 8.240 nan 0.000 0.552 6200 K N 0.074 120.523 120.400 0.083 0.000 2.360 6200 K HA -0.072 4.248 4.320 0.000 0.000 0.201 6200 K C 0.693 177.325 176.600 0.054 0.000 1.046 6200 K CA 1.296 57.623 56.287 0.065 0.000 0.945 6200 K CB -0.204 32.331 32.500 0.058 0.000 0.750 6200 K HN 0.388 nan 8.250 nan 0.000 0.464 6201 D N 0.963 121.395 120.400 0.052 0.000 2.355 6201 D HA 0.075 4.715 4.640 0.000 0.000 0.218 6201 D C 0.951 177.276 176.300 0.043 0.000 1.004 6201 D CA 1.102 55.127 54.000 0.041 0.000 0.880 6201 D CB 0.694 41.514 40.800 0.034 0.000 0.911 6201 D HN 0.501 nan 8.370 nan 0.000 0.528 6202 G N -0.306 108.526 108.800 0.053 0.000 2.306 6202 G HA2 -0.120 3.840 3.960 0.000 0.000 0.262 6202 G HA3 -0.120 3.840 3.960 0.000 0.000 0.262 6202 G C -1.327 173.608 174.900 0.059 0.000 1.263 6202 G CA -0.614 44.518 45.100 0.053 0.000 1.088 6202 G HN 0.035 nan 8.290 nan 0.000 0.489 6203 V N 1.284 121.231 119.914 0.055 0.000 2.417 6203 V HA 0.751 4.871 4.120 0.000 0.000 0.291 6203 V C 0.540 176.662 176.094 0.046 0.000 1.024 6203 V CA -0.349 61.985 62.300 0.057 0.000 0.861 6203 V CB 1.433 33.292 31.823 0.060 0.000 0.985 6203 V HN 0.916 nan 8.190 nan 0.000 0.436 6204 R N 4.200 124.727 120.500 0.045 0.000 2.637 6204 R HA 0.602 4.942 4.340 0.000 0.000 0.291 6204 R C -0.826 175.490 176.300 0.027 0.000 0.963 6204 R CA -0.808 55.311 56.100 0.032 0.000 0.901 6204 R CB 1.552 31.870 30.300 0.030 0.000 1.160 6204 R HN 0.596 nan 8.270 nan 0.000 0.457 6205 K N 2.567 122.975 120.400 0.013 0.000 2.339 6205 K HA 0.225 4.545 4.320 0.000 0.000 0.264 6205 K C -1.035 175.553 176.600 -0.020 0.000 0.986 6205 K CA -0.436 55.851 56.287 0.001 0.000 0.866 6205 K CB 1.812 34.309 32.500 -0.004 0.000 1.103 6205 K HN 0.545 nan 8.250 nan 0.000 0.441 6206 E N 2.200 122.375 120.200 -0.041 0.000 2.191 6206 E HA 0.353 4.703 4.350 0.000 0.000 0.274 6206 E C -1.393 175.071 176.600 -0.227 0.000 0.948 6206 E CA -0.817 55.485 56.400 -0.163 0.000 0.802 6206 E CB 1.545 31.164 29.700 -0.135 0.000 1.137 6206 E HN 0.275 nan 8.360 nan 0.000 0.397 6207 F N 3.061 122.644 119.950 -0.612 0.000 2.557 6207 F HA 0.435 4.962 4.527 0.000 0.000 0.316 6207 F C -1.966 173.443 175.800 -0.652 0.000 1.141 6207 F CA -0.812 56.888 58.000 -0.500 0.000 0.922 6207 F CB 0.885 39.749 39.000 -0.227 0.000 1.194 6207 F HN 0.324 nan 8.300 nan 0.000 0.443 6208 Y N 3.646 123.509 120.300 -0.729 0.000 2.425 6208 Y HA 0.424 4.974 4.550 0.000 0.000 0.344 6208 Y C 0.151 175.594 175.900 -0.761 0.000 0.969 6208 Y CA -1.174 56.536 58.100 -0.650 0.000 1.052 6208 Y CB 1.370 39.662 38.460 -0.279 0.000 1.215 6208 Y HN 0.467 nan 8.280 nan 0.000 0.451 6209 E N 2.754 122.709 120.200 -0.409 0.000 2.373 6209 E HA 0.396 4.747 4.350 0.000 0.000 0.263 6209 E C -0.866 175.695 176.600 -0.065 0.000 1.073 6209 E CA -0.138 56.120 56.400 -0.237 0.000 0.894 6209 E CB 1.285 30.904 29.700 -0.135 0.000 1.008 6209 E HN 0.577 nan 8.360 nan 0.000 0.420 6210 L N 1.302 122.532 121.223 0.011 0.000 2.350 6210 L HA 0.362 4.702 4.340 0.000 0.000 0.260 6210 L C 0.235 177.136 176.870 0.052 0.000 1.015 6210 L CA -0.946 53.920 54.840 0.044 0.000 0.821 6210 L CB 1.956 44.063 42.059 0.082 0.000 1.370 6210 L HN 0.264 nan 8.230 nan 0.000 0.416 6211 K N 0.813 121.242 120.400 0.049 0.000 2.489 6211 K HA 0.022 4.342 4.320 0.000 0.000 0.278 6211 K C 0.127 176.763 176.600 0.059 0.000 1.000 6211 K CA 0.370 56.684 56.287 0.046 0.000 1.012 6211 K CB 0.474 32.998 32.500 0.040 0.000 0.903 6211 K HN 0.427 nan 8.250 nan 0.000 0.485 6212 R N 2.170 122.703 120.500 0.055 0.000 2.568 6212 R HA 0.024 4.364 4.340 0.000 0.000 0.288 6212 R C -0.247 176.088 176.300 0.059 0.000 1.077 6212 R CA -0.284 55.853 56.100 0.062 0.000 1.102 6212 R CB -0.165 30.171 30.300 0.060 0.000 1.278 6212 R HN 0.620 nan 8.270 nan 0.000 0.560 6213 D N 0.000 120.434 120.400 0.057 0.000 6.856 6213 D HA 0.000 4.640 4.640 0.000 0.000 0.175 6213 D CA 0.000 54.033 54.000 0.055 0.000 0.868 6213 D CB 0.000 40.827 40.800 0.045 0.000 0.688 6213 D HN 0.000 nan 8.370 nan 0.000 0.683