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 2i8a_1_F DATA FIRST_RESID 6002 DATA SEQUENCE SKSDVFHLGL TKNDLQGAQL AIVPGDPERV EKIAALMDKP VKLASHREFT DATA SEQUENCE SWRAELDGKA VIVCSTGIGG PSTSIAVEEL AQLGIRTFLR IGTTGAIQPH DATA SEQUENCE INVGDVLVTT ASVRLDGASL HFAPMEFPAV ADFACTTALV EAAKSIGATT DATA SEQUENCE HVGVTASSDT FYPGQERYDT YSGRVVRRFK GSMEEWQAMG VMNYEMESAT DATA SEQUENCE LLTMCASQGL RAGMVAGVIV NRTQQEIPNA XXXXXXXSHA VKIVVEAARR DATA SEQUENCE LL 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 6002 S HA 0.000 nan 4.470 nan 0.000 0.327 6002 S C 0.000 174.591 174.600 -0.015 0.000 1.055 6002 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 6002 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 6003 K N 1.991 122.378 120.400 -0.021 0.000 2.472 6003 K HA 0.083 4.403 4.320 0.000 0.000 0.280 6003 K C 0.339 176.912 176.600 -0.044 0.000 1.028 6003 K CA 0.256 56.525 56.287 -0.030 0.000 1.045 6003 K CB 0.731 33.212 32.500 -0.031 0.000 0.902 6003 K HN 0.637 nan 8.250 nan 0.000 0.478 6004 S N 3.023 118.690 115.700 -0.056 0.000 2.560 6004 S HA -0.012 4.458 4.470 0.000 0.000 0.284 6004 S C 0.587 175.124 174.600 -0.105 0.000 1.327 6004 S CA -0.383 57.773 58.200 -0.073 0.000 1.055 6004 S CB 0.469 63.615 63.200 -0.089 0.000 0.868 6004 S HN 0.441 nan 8.310 nan 0.000 0.506 6005 D N 1.750 122.090 120.400 -0.101 0.000 2.317 6005 D HA 0.065 4.705 4.640 0.000 0.000 0.211 6005 D C 0.641 176.819 176.300 -0.203 0.000 0.966 6005 D CA 0.775 54.698 54.000 -0.128 0.000 0.876 6005 D CB 0.032 40.780 40.800 -0.087 0.000 0.927 6005 D HN 0.440 nan 8.370 nan 0.000 0.519 6006 V N -3.429 116.365 119.914 -0.200 0.000 3.040 6006 V HA 0.399 4.519 4.120 0.000 0.000 0.312 6006 V C 0.855 176.811 176.094 -0.230 0.000 1.115 6006 V CA -0.983 61.169 62.300 -0.247 0.000 0.998 6006 V CB 1.323 33.082 31.823 -0.106 0.000 1.042 6006 V HN -0.169 nan 8.190 nan 0.000 0.433 6007 F N -0.041 119.872 119.950 -0.063 0.000 2.186 6007 F HA -0.023 4.504 4.527 0.000 0.000 0.299 6007 F C 2.181 177.800 175.800 -0.302 0.000 1.090 6007 F CA 2.388 60.276 58.000 -0.187 0.000 1.307 6007 F CB -0.049 38.813 39.000 -0.230 0.000 1.019 6007 F HN 0.714 nan 8.300 nan 0.000 0.489 6008 H N -1.575 117.551 119.070 0.093 0.000 2.545 6008 H HA 0.197 4.753 4.556 0.000 0.000 0.283 6008 H C 1.900 177.230 175.328 0.005 0.000 0.997 6008 H CA 0.451 56.527 56.048 0.046 0.000 1.269 6008 H CB 0.005 29.771 29.762 0.006 0.000 1.451 6008 H HN 0.054 nan 8.280 nan 0.000 0.508 6009 L N -0.301 120.952 121.223 0.050 0.000 2.313 6009 L HA 0.150 4.490 4.340 0.000 0.000 0.214 6009 L C 1.066 178.030 176.870 0.156 0.000 1.119 6009 L CA 0.690 55.576 54.840 0.077 0.000 0.809 6009 L CB -0.201 41.849 42.059 -0.015 0.000 0.933 6009 L HN 0.536 nan 8.230 nan 0.000 0.449 6010 G N 1.300 110.097 108.800 -0.005 0.000 2.246 6010 G HA2 -0.265 3.695 3.960 0.000 0.000 0.273 6010 G HA3 -0.265 3.695 3.960 0.000 0.000 0.273 6010 G C -0.163 174.774 174.900 0.061 0.000 1.055 6010 G CA 0.106 45.184 45.100 -0.036 0.000 0.851 6010 G HN 0.248 nan 8.290 nan 0.000 0.500 6011 L N -0.282 120.953 121.223 0.019 0.000 2.323 6011 L HA 0.867 5.207 4.340 0.000 0.000 0.265 6011 L C 0.709 177.569 176.870 -0.017 0.000 1.012 6011 L CA -0.592 54.256 54.840 0.014 0.000 0.820 6011 L CB 2.415 44.487 42.059 0.022 0.000 1.334 6011 L HN 0.359 nan 8.230 nan 0.000 0.427 6012 T N -3.417 111.127 114.554 -0.016 0.000 2.932 6012 T HA 0.377 4.727 4.350 0.000 0.000 0.289 6012 T C 0.578 175.264 174.700 -0.022 0.000 1.039 6012 T CA -0.910 61.174 62.100 -0.026 0.000 1.024 6012 T CB 2.055 70.908 68.868 -0.025 0.000 1.090 6012 T HN 0.531 nan 8.240 nan 0.000 0.496 6013 K N 0.590 120.975 120.400 -0.025 0.000 2.103 6013 K HA -0.182 4.138 4.320 0.000 0.000 0.207 6013 K C 2.095 178.684 176.600 -0.019 0.000 1.048 6013 K CA 1.626 57.900 56.287 -0.021 0.000 0.930 6013 K CB -0.340 32.147 32.500 -0.022 0.000 0.716 6013 K HN 0.629 nan 8.250 nan 0.000 0.444 6014 N N 1.611 120.300 118.700 -0.019 0.000 2.104 6014 N HA -0.191 4.549 4.740 0.000 0.000 0.190 6014 N C 1.203 176.703 175.510 -0.018 0.000 1.024 6014 N CA 1.657 54.696 53.050 -0.018 0.000 0.853 6014 N CB -0.138 38.338 38.487 -0.018 0.000 1.008 6014 N HN 0.097 nan 8.380 nan 0.000 0.424 6015 D N -0.377 120.012 120.400 -0.018 0.000 2.190 6015 D HA -0.132 4.508 4.640 0.000 0.000 0.200 6015 D C 1.648 177.939 176.300 -0.014 0.000 0.992 6015 D CA 0.748 54.738 54.000 -0.018 0.000 0.854 6015 D CB -0.147 40.645 40.800 -0.014 0.000 0.936 6015 D HN 0.292 nan 8.370 nan 0.000 0.462 6016 L N 0.432 121.647 121.223 -0.012 0.000 2.313 6016 L HA -0.016 4.324 4.340 0.000 0.000 0.214 6016 L C 0.782 177.645 176.870 -0.013 0.000 1.119 6016 L CA 0.556 55.389 54.840 -0.012 0.000 0.809 6016 L CB -0.296 41.754 42.059 -0.016 0.000 0.933 6016 L HN -0.050 nan 8.230 nan 0.000 0.449 6017 Q N -0.054 119.738 119.800 -0.014 0.000 2.453 6017 Q HA -0.272 4.068 4.340 0.000 0.000 0.294 6017 Q C 1.232 177.223 176.000 -0.015 0.000 1.295 6017 Q CA 0.932 56.727 55.803 -0.013 0.000 0.853 6017 Q CB -2.226 26.506 28.738 -0.011 0.000 1.193 6017 Q HN 0.682 nan 8.270 nan 0.000 0.461 6018 G N -1.934 106.855 108.800 -0.018 0.000 2.179 6018 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 6018 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 6018 G C 0.363 175.246 174.900 -0.028 0.000 0.977 6018 G CA 0.399 45.487 45.100 -0.020 0.000 0.641 6018 G HN 1.256 nan 8.290 nan 0.000 0.533 6019 A N -0.300 122.502 122.820 -0.030 0.000 2.540 6019 A HA 0.550 4.870 4.320 0.000 0.000 0.239 6019 A C 1.046 178.590 177.584 -0.065 0.000 1.061 6019 A CA 1.412 53.423 52.037 -0.043 0.000 0.758 6019 A CB 0.208 19.185 19.000 -0.039 0.000 0.991 6019 A HN 0.581 nan 8.150 nan 0.000 0.502 6020 Q N 0.828 120.579 119.800 -0.082 0.000 2.164 6020 Q HA 0.328 4.668 4.340 0.000 0.000 0.226 6020 Q C -0.546 175.345 176.000 -0.182 0.000 0.813 6020 Q CA -0.014 55.721 55.803 -0.113 0.000 0.978 6020 Q CB 0.722 29.414 28.738 -0.077 0.000 1.149 6020 Q HN 0.733 nan 8.270 nan 0.000 0.489 6021 L N 0.624 121.745 121.223 -0.170 0.000 2.365 6021 L HA 0.812 5.152 4.340 0.000 0.000 0.273 6021 L C -1.673 175.074 176.870 -0.205 0.000 1.000 6021 L CA -0.662 54.051 54.840 -0.211 0.000 0.819 6021 L CB 1.700 43.685 42.059 -0.124 0.000 1.284 6021 L HN -0.084 nan 8.230 nan 0.000 0.418 6022 A N 5.567 128.219 122.820 -0.280 0.000 2.371 6022 A HA 0.718 5.038 4.320 0.000 0.000 0.311 6022 A C -1.007 176.554 177.584 -0.038 0.000 1.068 6022 A CA -0.547 51.405 52.037 -0.141 0.000 0.744 6022 A CB 1.099 20.017 19.000 -0.136 0.000 1.239 6022 A HN 0.665 nan 8.150 nan 0.000 0.435 6023 I N 2.466 123.044 120.570 0.012 0.000 2.331 6023 I HA 0.372 4.542 4.170 0.000 0.000 0.292 6023 I C -0.240 175.922 176.117 0.076 0.000 0.998 6023 I CA -0.617 60.707 61.300 0.039 0.000 1.267 6023 I CB 1.785 39.796 38.000 0.019 0.000 1.386 6023 I HN 0.450 nan 8.210 nan 0.000 0.476 6024 V N 5.616 125.588 119.914 0.097 0.000 2.276 6024 V HA 0.488 4.608 4.120 0.000 0.000 0.268 6024 V C -2.512 173.629 176.094 0.079 0.000 1.032 6024 V CA -1.933 60.436 62.300 0.115 0.000 0.810 6024 V CB 0.299 32.224 31.823 0.170 0.000 1.060 6024 V HN 0.457 nan 8.190 nan 0.000 0.446 6025 P HA 0.288 nan 4.420 nan 0.000 0.274 6025 P C 1.013 178.339 177.300 0.044 0.000 1.246 6025 P CA 0.300 63.424 63.100 0.039 0.000 0.795 6025 P CB 1.724 33.436 31.700 0.020 0.000 1.006 6026 G N -0.077 108.739 108.800 0.025 0.000 2.396 6026 G HA2 -0.083 3.877 3.960 0.000 0.000 0.214 6026 G HA3 -0.083 3.877 3.960 0.000 0.000 0.214 6026 G C 0.280 175.181 174.900 0.001 0.000 1.166 6026 G CA 0.458 45.568 45.100 0.017 0.000 0.793 6026 G HN 0.516 nan 8.290 nan 0.000 0.533 6027 D N 0.445 120.841 120.400 -0.006 0.000 2.280 6027 D HA 0.251 4.891 4.640 0.000 0.000 0.243 6027 D C -1.146 175.149 176.300 -0.009 0.000 1.129 6027 D CA -2.530 51.458 54.000 -0.020 0.000 0.848 6027 D CB 2.139 42.923 40.800 -0.027 0.000 1.107 6027 D HN -0.012 nan 8.370 nan 0.000 0.471 6028 P HA -0.138 nan 4.420 nan 0.000 0.219 6028 P C 0.480 177.785 177.300 0.009 0.000 1.146 6028 P CA 1.049 64.159 63.100 0.016 0.000 0.808 6028 P CB 0.329 32.032 31.700 0.006 0.000 0.779 6029 E N -0.811 119.381 120.200 -0.013 0.000 2.418 6029 E HA -0.057 4.293 4.350 0.000 0.000 0.197 6029 E C 2.128 178.695 176.600 -0.055 0.000 1.026 6029 E CA 0.143 56.527 56.400 -0.026 0.000 0.862 6029 E CB -0.196 29.489 29.700 -0.026 0.000 0.799 6029 E HN 0.100 nan 8.360 nan 0.000 0.518 6030 R N 0.555 121.023 120.500 -0.054 0.000 2.254 6030 R HA 0.043 4.383 4.340 0.000 0.000 0.195 6030 R C 1.955 178.185 176.300 -0.117 0.000 0.957 6030 R CA 0.243 56.300 56.100 -0.073 0.000 1.024 6030 R CB 0.164 30.438 30.300 -0.044 0.000 0.952 6030 R HN 0.090 nan 8.270 nan 0.000 0.484 6031 V N 1.044 120.889 119.914 -0.115 0.000 2.255 6031 V HA -0.270 3.850 4.120 0.000 0.000 0.247 6031 V C 2.386 178.205 176.094 -0.459 0.000 1.051 6031 V CA 2.245 64.446 62.300 -0.165 0.000 1.018 6031 V CB -0.506 31.308 31.823 -0.015 0.000 0.641 6031 V HN 0.395 nan 8.190 nan 0.000 0.445 6032 E N 0.298 120.085 120.200 -0.688 0.000 2.085 6032 E HA -0.292 4.058 4.350 0.000 0.000 0.194 6032 E C 2.219 178.424 176.600 -0.658 0.000 0.994 6032 E CA 1.699 57.401 56.400 -1.164 0.000 0.801 6032 E CB -0.108 29.095 29.700 -0.828 0.000 0.743 6032 E HN 0.596 nan 8.360 nan 0.000 0.453 6033 K N 0.033 120.212 120.400 -0.367 0.000 2.057 6033 K HA -0.136 4.184 4.320 0.000 0.000 0.207 6033 K C 2.186 178.670 176.600 -0.192 0.000 1.049 6033 K CA 1.618 57.770 56.287 -0.226 0.000 0.931 6033 K CB -0.133 32.281 32.500 -0.143 0.000 0.714 6033 K HN 0.232 nan 8.250 nan 0.000 0.440 6034 I N 0.739 121.198 120.570 -0.186 0.000 2.286 6034 I HA -0.222 3.948 4.170 0.000 0.000 0.245 6034 I C 2.413 178.453 176.117 -0.128 0.000 1.104 6034 I CA 0.942 62.168 61.300 -0.124 0.000 1.397 6034 I CB -0.259 37.690 38.000 -0.085 0.000 1.072 6034 I HN 0.129 nan 8.210 nan 0.000 0.417 6035 A N 0.670 123.371 122.820 -0.199 0.000 1.972 6035 A HA -0.129 4.191 4.320 0.000 0.000 0.219 6035 A C 2.465 179.983 177.584 -0.109 0.000 1.169 6035 A CA 1.632 53.591 52.037 -0.129 0.000 0.635 6035 A CB -0.772 18.148 19.000 -0.133 0.000 0.810 6035 A HN 0.421 nan 8.150 nan 0.000 0.446 6036 A N -0.395 122.311 122.820 -0.190 0.000 2.125 6036 A HA 0.079 4.399 4.320 0.000 0.000 0.219 6036 A C 1.796 179.343 177.584 -0.061 0.000 1.156 6036 A CA 1.182 53.149 52.037 -0.116 0.000 0.671 6036 A CB -0.534 18.378 19.000 -0.146 0.000 0.794 6036 A HN 0.500 nan 8.150 nan 0.000 0.459 6037 L N -1.409 119.778 121.223 -0.061 0.000 2.591 6037 L HA 0.218 4.558 4.340 0.000 0.000 0.228 6037 L C 0.798 177.653 176.870 -0.024 0.000 1.133 6037 L CA -0.056 54.760 54.840 -0.040 0.000 0.880 6037 L CB -0.347 41.685 42.059 -0.044 0.000 1.033 6037 L HN 0.355 nan 8.230 nan 0.000 0.450 6038 M N -1.469 118.122 119.600 -0.014 0.000 2.796 6038 M HA 0.342 4.822 4.480 0.000 0.000 0.303 6038 M C -0.776 175.534 176.300 0.016 0.000 1.240 6038 M CA -0.916 54.385 55.300 0.001 0.000 0.831 6038 M CB 1.716 34.320 32.600 0.007 0.000 1.750 6038 M HN -0.168 nan 8.290 nan 0.000 0.484 6039 D N 1.127 121.538 120.400 0.018 0.000 2.341 6039 D HA 0.135 4.775 4.640 0.000 0.000 0.245 6039 D C -0.382 175.944 176.300 0.042 0.000 1.106 6039 D CA 0.201 54.216 54.000 0.025 0.000 0.905 6039 D CB 0.609 41.419 40.800 0.016 0.000 1.202 6039 D HN 0.435 nan 8.370 nan 0.000 0.426 6040 K N -0.244 120.184 120.400 0.047 0.000 3.278 6040 K HA -0.135 4.185 4.320 0.000 0.000 0.270 6040 K C -2.377 174.280 176.600 0.094 0.000 0.955 6040 K CA 0.148 56.469 56.287 0.057 0.000 0.723 6040 K CB -0.944 31.578 32.500 0.036 0.000 1.382 6040 K HN 0.367 nan 8.250 nan 0.000 0.461 6041 P HA 0.156 nan 4.420 nan 0.000 0.276 6041 P C -0.555 176.922 177.300 0.295 0.000 1.230 6041 P CA -0.168 63.103 63.100 0.285 0.000 0.776 6041 P CB 1.369 33.258 31.700 0.316 0.000 0.888 6042 V N 3.528 123.558 119.914 0.192 0.000 2.668 6042 V HA 0.276 4.396 4.120 0.000 0.000 0.304 6042 V C 0.320 176.015 176.094 -0.665 0.000 1.071 6042 V CA -0.925 61.260 62.300 -0.193 0.000 0.894 6042 V CB 2.042 33.798 31.823 -0.112 0.000 1.008 6042 V HN 0.493 nan 8.190 nan 0.000 0.425 6043 K N 3.321 122.898 120.400 -1.372 0.000 2.368 6043 K HA 0.399 4.719 4.320 0.000 0.000 0.282 6043 K C 0.213 176.401 176.600 -0.686 0.000 1.035 6043 K CA -0.161 55.133 56.287 -1.653 0.000 0.973 6043 K CB 0.754 32.422 32.500 -1.388 0.000 0.957 6043 K HN 0.659 nan 8.250 nan 0.000 0.474 6044 L N 2.623 123.566 121.223 -0.468 0.000 2.347 6044 L HA 0.340 4.680 4.340 0.000 0.000 0.196 6044 L C 0.493 177.285 176.870 -0.131 0.000 1.072 6044 L CA 0.104 54.822 54.840 -0.204 0.000 0.817 6044 L CB 0.264 42.270 42.059 -0.087 0.000 1.029 6044 L HN 0.738 nan 8.230 nan 0.000 0.478 6045 A N -1.042 121.719 122.820 -0.098 0.000 2.586 6045 A HA 0.611 4.931 4.320 0.000 0.000 0.291 6045 A C -1.235 176.309 177.584 -0.067 0.000 1.062 6045 A CA -0.289 51.712 52.037 -0.060 0.000 0.666 6045 A CB 1.622 20.679 19.000 0.095 0.000 1.281 6045 A HN -0.143 nan 8.150 nan 0.000 0.421 6046 S N 0.686 116.230 115.700 -0.259 0.000 2.737 6046 S HA 0.643 5.113 4.470 0.000 0.000 0.269 6046 S C -1.705 172.635 174.600 -0.432 0.000 1.150 6046 S CA -0.464 57.625 58.200 -0.185 0.000 1.077 6046 S CB 0.266 63.413 63.200 -0.088 0.000 1.075 6046 S HN 0.704 nan 8.310 nan 0.000 0.476 6047 H N 3.618 122.780 119.070 0.154 0.000 2.782 6047 H HA 0.523 5.079 4.556 0.000 0.000 0.347 6047 H C 0.568 175.992 175.328 0.159 0.000 1.038 6047 H CA -0.496 55.649 56.048 0.161 0.000 1.255 6047 H CB 1.512 31.397 29.762 0.205 0.000 1.623 6047 H HN 0.755 nan 8.280 nan 0.000 0.525 6048 R N 0.532 121.133 120.500 0.168 0.000 3.835 6048 R HA -0.227 4.113 4.340 0.000 0.000 0.455 6048 R C 1.059 177.267 176.300 -0.152 0.000 0.241 6048 R CA 1.870 57.974 56.100 0.006 0.000 1.439 6048 R CB -0.738 29.575 30.300 0.022 0.000 0.987 6048 R HN 0.760 nan 8.270 nan 0.000 0.570 6049 E N 2.011 121.929 120.200 -0.470 0.000 2.445 6049 E HA 0.007 4.357 4.350 0.000 0.000 0.189 6049 E C -0.103 176.227 176.600 -0.449 0.000 1.069 6049 E CA 0.683 56.795 56.400 -0.479 0.000 0.871 6049 E CB 0.028 29.425 29.700 -0.506 0.000 0.991 6049 E HN 0.363 nan 8.360 nan 0.000 0.481 6050 F N 1.610 121.614 119.950 0.091 0.000 2.291 6050 F HA 0.290 4.817 4.527 -0.000 0.000 0.368 6050 F C 0.170 176.035 175.800 0.109 0.000 1.085 6050 F CA -0.764 57.300 58.000 0.106 0.000 1.165 6050 F CB 1.392 40.475 39.000 0.139 0.000 1.429 6050 F HN -0.306 nan 8.300 nan 0.000 0.503 6051 T N 1.896 116.594 114.554 0.240 0.000 2.767 6051 T HA 0.456 4.806 4.350 0.000 0.000 0.284 6051 T C -0.221 174.638 174.700 0.264 0.000 0.973 6051 T CA -0.734 61.495 62.100 0.214 0.000 0.996 6051 T CB 1.171 70.149 68.868 0.183 0.000 0.927 6051 T HN 0.521 nan 8.240 nan 0.000 0.456 6052 S N 2.267 118.119 115.700 0.253 0.000 2.521 6052 S HA 0.755 5.225 4.470 0.000 0.000 0.295 6052 S C -1.586 173.173 174.600 0.265 0.000 1.098 6052 S CA -1.007 57.341 58.200 0.248 0.000 0.999 6052 S CB 1.124 64.419 63.200 0.160 0.000 1.034 6052 S HN 0.653 nan 8.310 nan 0.000 0.483 6053 W N 1.284 122.604 121.300 0.033 0.000 2.864 6053 W HA 0.647 5.307 4.660 -0.000 0.000 0.343 6053 W C 0.279 176.806 176.519 0.013 0.000 1.109 6053 W CA -0.843 56.514 57.345 0.019 0.000 1.192 6053 W CB 1.862 31.330 29.460 0.014 0.000 1.426 6053 W HN 0.731 nan 8.180 nan 0.000 0.529 6054 R N 1.569 122.180 120.500 0.186 0.000 2.604 6054 R HA 0.888 5.228 4.340 0.000 0.000 0.287 6054 R C -0.498 175.897 176.300 0.160 0.000 0.970 6054 R CA -0.265 55.908 56.100 0.123 0.000 0.946 6054 R CB 1.408 31.733 30.300 0.041 0.000 1.127 6054 R HN 0.655 nan 8.270 nan 0.000 0.473 6055 A N 2.224 125.108 122.820 0.108 0.000 2.534 6055 A HA 0.503 4.823 4.320 0.000 0.000 0.300 6055 A C -1.601 176.011 177.584 0.047 0.000 1.223 6055 A CA -0.655 51.437 52.037 0.091 0.000 0.666 6055 A CB 1.703 20.760 19.000 0.095 0.000 1.316 6055 A HN 0.691 nan 8.150 nan 0.000 0.468 6056 E N -0.423 119.798 120.200 0.035 0.000 2.314 6056 E HA 0.657 5.007 4.350 0.000 0.000 0.272 6056 E C -2.065 174.541 176.600 0.009 0.000 0.884 6056 E CA -0.409 56.001 56.400 0.017 0.000 0.753 6056 E CB 2.006 31.715 29.700 0.016 0.000 1.213 6056 E HN 0.500 nan 8.360 nan 0.000 0.432 6057 L N 3.685 124.909 121.223 0.001 0.000 2.404 6057 L HA 0.303 4.643 4.340 0.000 0.000 0.272 6057 L C -0.999 175.866 176.870 -0.007 0.000 0.980 6057 L CA -0.561 54.276 54.840 -0.005 0.000 0.836 6057 L CB 1.691 43.744 42.059 -0.010 0.000 1.238 6057 L HN 0.665 nan 8.230 nan 0.000 0.408 6058 D N 3.342 123.738 120.400 -0.007 0.000 2.708 6058 D HA -0.203 4.437 4.640 0.000 0.000 0.236 6058 D C 1.144 177.441 176.300 -0.006 0.000 1.146 6058 D CA 1.622 55.618 54.000 -0.008 0.000 0.662 6058 D CB -0.831 39.963 40.800 -0.010 0.000 1.059 6058 D HN 1.091 nan 8.370 nan 0.000 0.428 6059 G N -1.149 107.648 108.800 -0.004 0.000 2.162 6059 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 6059 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 6059 G C 0.232 175.130 174.900 -0.005 0.000 0.976 6059 G CA 0.643 45.741 45.100 -0.003 0.000 0.655 6059 G HN 0.413 nan 8.290 nan 0.000 0.533 6060 K N 0.522 120.918 120.400 -0.007 0.000 2.221 6060 K HA 0.694 5.014 4.320 0.000 0.000 0.258 6060 K C 0.453 177.049 176.600 -0.008 0.000 0.944 6060 K CA 0.001 56.282 56.287 -0.010 0.000 0.823 6060 K CB 1.988 34.479 32.500 -0.015 0.000 1.113 6060 K HN 0.519 nan 8.250 nan 0.000 0.431 6061 A N 2.260 125.074 122.820 -0.009 0.000 2.477 6061 A HA 0.351 4.671 4.320 0.000 0.000 0.246 6061 A C 0.140 177.718 177.584 -0.011 0.000 1.078 6061 A CA -0.346 51.688 52.037 -0.005 0.000 0.770 6061 A CB 0.011 19.007 19.000 -0.007 0.000 1.011 6061 A HN 0.486 nan 8.150 nan 0.000 0.494 6062 V N 1.013 120.927 119.914 -0.000 0.000 2.789 6062 V HA 0.675 4.795 4.120 0.000 0.000 0.311 6062 V C -0.547 175.557 176.094 0.015 0.000 1.073 6062 V CA -1.057 61.239 62.300 -0.007 0.000 0.921 6062 V CB 1.663 33.483 31.823 -0.006 0.000 1.009 6062 V HN 0.641 nan 8.190 nan 0.000 0.426 6063 I N 3.496 124.067 120.570 0.002 0.000 2.392 6063 I HA 0.577 4.747 4.170 0.000 0.000 0.295 6063 I C -0.212 175.938 176.117 0.055 0.000 0.985 6063 I CA -0.613 60.709 61.300 0.036 0.000 1.221 6063 I CB 1.868 39.877 38.000 0.015 0.000 1.366 6063 I HN 0.531 nan 8.210 nan 0.000 0.467 6064 V N 5.307 125.286 119.914 0.107 0.000 2.409 6064 V HA 0.440 4.560 4.120 0.000 0.000 0.291 6064 V C -0.353 175.832 176.094 0.151 0.000 1.020 6064 V CA -0.482 61.882 62.300 0.106 0.000 0.848 6064 V CB 1.999 33.871 31.823 0.081 0.000 0.990 6064 V HN 0.904 nan 8.190 nan 0.000 0.430 6065 C N 4.820 124.204 119.300 0.141 0.000 2.608 6065 C HA 0.742 5.202 4.460 0.000 0.000 0.325 6065 C C 0.521 175.617 174.990 0.177 0.000 1.147 6065 C CA -0.299 58.825 59.018 0.176 0.000 1.359 6065 C CB 1.377 29.220 27.740 0.172 0.000 1.912 6065 C HN 1.061 nan 8.230 nan 0.000 0.466 6066 S N 2.987 118.806 115.700 0.197 0.000 2.617 6066 S HA 0.431 4.901 4.470 0.000 0.000 0.269 6066 S C 0.858 175.609 174.600 0.252 0.000 1.292 6066 S CA 0.385 58.685 58.200 0.166 0.000 1.010 6066 S CB 1.341 64.605 63.200 0.106 0.000 0.944 6066 S HN 1.054 nan 8.310 nan 0.000 0.536 6067 T N -1.834 112.825 114.554 0.176 0.000 2.990 6067 T HA 0.522 4.872 4.350 0.000 0.000 0.250 6067 T C 1.179 175.952 174.700 0.121 0.000 1.041 6067 T CA 0.274 62.508 62.100 0.224 0.000 1.010 6067 T CB -0.913 68.031 68.868 0.127 0.000 1.003 6067 T HN 1.917 nan 8.240 nan 0.000 0.499 6068 G N 1.592 110.385 108.800 -0.011 0.000 2.855 6068 G HA2 -0.139 3.821 3.960 0.000 0.000 0.352 6068 G HA3 -0.139 3.821 3.960 0.000 0.000 0.352 6068 G C -0.544 174.335 174.900 -0.036 0.000 1.415 6068 G CA -0.489 44.558 45.100 -0.087 0.000 0.871 6068 G HN 0.647 nan 8.290 nan 0.000 0.543 6069 I N 2.100 122.639 120.570 -0.051 0.000 2.441 6069 I HA 0.520 4.690 4.170 0.000 0.000 0.287 6069 I C 1.124 177.230 176.117 -0.019 0.000 1.049 6069 I CA 1.177 62.458 61.300 -0.032 0.000 1.381 6069 I CB 0.675 38.646 38.000 -0.049 0.000 1.409 6069 I HN 1.963 nan 8.210 nan 0.000 0.523 6070 G N 3.865 112.662 108.800 -0.005 0.000 2.629 6070 G HA2 -0.076 3.884 3.960 0.000 0.000 0.686 6070 G HA3 -0.076 3.884 3.960 0.000 0.000 0.686 6070 G C 0.531 175.432 174.900 0.002 0.000 1.232 6070 G CA -0.490 44.608 45.100 -0.002 0.000 0.803 6070 G HN 0.933 nan 8.290 nan 0.000 0.638 6071 G N 0.625 109.423 108.800 -0.003 0.000 2.476 6071 G HA2 -0.002 3.958 3.960 0.000 0.000 0.218 6071 G HA3 -0.002 3.958 3.960 0.000 0.000 0.218 6071 G C 0.173 175.074 174.900 0.001 0.000 1.164 6071 G CA 2.259 47.356 45.100 -0.004 0.000 0.768 6071 G HN 0.709 nan 8.290 nan 0.000 0.560 6072 P HA -0.131 nan 4.420 nan 0.000 0.213 6072 P C 2.324 179.644 177.300 0.034 0.000 1.170 6072 P CA 2.056 65.153 63.100 -0.005 0.000 0.902 6072 P CB -0.209 31.481 31.700 -0.017 0.000 0.789 6073 S N -1.792 113.942 115.700 0.057 0.000 2.382 6073 S HA -0.148 4.322 4.470 0.000 0.000 0.228 6073 S C 1.897 176.621 174.600 0.207 0.000 1.027 6073 S CA 2.047 60.344 58.200 0.161 0.000 0.991 6073 S CB -1.348 61.892 63.200 0.066 0.000 0.823 6073 S HN 0.151 nan 8.310 nan 0.000 0.469 6074 T N 1.611 116.223 114.554 0.096 0.000 2.746 6074 T HA -0.101 4.249 4.350 0.000 0.000 0.267 6074 T C 2.199 176.882 174.700 -0.028 0.000 1.039 6074 T CA 1.643 63.770 62.100 0.044 0.000 1.142 6074 T CB -0.581 68.283 68.868 -0.006 0.000 0.866 6074 T HN 0.724 nan 8.240 nan 0.000 0.444 6075 S N 1.196 116.888 115.700 -0.014 0.000 2.399 6075 S HA -0.015 4.455 4.470 0.000 0.000 0.231 6075 S C 2.058 176.649 174.600 -0.015 0.000 1.022 6075 S CA 0.678 58.871 58.200 -0.011 0.000 0.983 6075 S CB -0.711 62.578 63.200 0.147 0.000 0.803 6075 S HN 0.494 nan 8.310 nan 0.000 0.480 6076 I N 1.999 122.544 120.570 -0.041 0.000 2.193 6076 I HA -0.077 4.093 4.170 0.000 0.000 0.240 6076 I C 3.118 179.097 176.117 -0.231 0.000 1.084 6076 I CA 1.095 62.306 61.300 -0.148 0.000 1.365 6076 I CB -0.693 37.135 38.000 -0.286 0.000 1.064 6076 I HN 0.428 nan 8.210 nan 0.000 0.410 6077 A N 0.369 123.030 122.820 -0.264 0.000 1.902 6077 A HA -0.154 4.166 4.320 0.000 0.000 0.217 6077 A C 2.409 179.931 177.584 -0.102 0.000 1.181 6077 A CA 1.750 53.633 52.037 -0.255 0.000 0.623 6077 A CB -0.969 17.993 19.000 -0.064 0.000 0.818 6077 A HN 0.245 nan 8.150 nan 0.000 0.443 6078 V N 0.138 119.957 119.914 -0.158 0.000 2.358 6078 V HA -0.225 3.895 4.120 0.000 0.000 0.246 6078 V C 2.630 178.618 176.094 -0.176 0.000 1.047 6078 V CA 2.409 64.512 62.300 -0.329 0.000 1.035 6078 V CB -0.670 30.773 31.823 -0.632 0.000 0.658 6078 V HN 0.766 nan 8.190 nan 0.000 0.452 6079 E N 0.905 121.038 120.200 -0.112 0.000 2.051 6079 E HA -0.239 4.111 4.350 0.000 0.000 0.192 6079 E C 2.075 178.689 176.600 0.023 0.000 0.991 6079 E CA 1.942 58.331 56.400 -0.018 0.000 0.799 6079 E CB -0.272 29.456 29.700 0.046 0.000 0.748 6079 E HN 0.680 nan 8.360 nan 0.000 0.449 6080 E N -0.139 120.061 120.200 -0.000 0.000 2.107 6080 E HA -0.084 4.266 4.350 0.000 0.000 0.191 6080 E C 2.285 178.903 176.600 0.031 0.000 0.982 6080 E CA 0.864 57.265 56.400 0.003 0.000 0.809 6080 E CB -0.104 29.575 29.700 -0.035 0.000 0.756 6080 E HN 0.300 nan 8.360 nan 0.000 0.459 6081 L N 0.805 122.077 121.223 0.082 0.000 2.046 6081 L HA -0.187 4.153 4.340 0.000 0.000 0.208 6081 L C 2.646 179.621 176.870 0.175 0.000 1.077 6081 L CA 1.030 55.960 54.840 0.150 0.000 0.747 6081 L CB -0.527 41.709 42.059 0.296 0.000 0.896 6081 L HN 0.136 nan 8.230 nan 0.000 0.432 6082 A N -0.362 122.621 122.820 0.272 0.000 1.892 6082 A HA -0.298 4.022 4.320 0.000 0.000 0.218 6082 A C 2.213 179.854 177.584 0.095 0.000 1.188 6082 A CA 1.880 54.047 52.037 0.218 0.000 0.631 6082 A CB -0.616 18.498 19.000 0.191 0.000 0.822 6082 A HN 0.501 nan 8.150 nan 0.000 0.447 6083 Q N -0.749 119.088 119.800 0.063 0.000 2.135 6083 Q HA -0.118 4.222 4.340 0.000 0.000 0.204 6083 Q C 1.905 177.910 176.000 0.009 0.000 0.981 6083 Q CA 1.422 57.239 55.803 0.024 0.000 0.856 6083 Q CB -0.309 28.430 28.738 0.001 0.000 0.902 6083 Q HN 0.701 nan 8.270 nan 0.000 0.425 6084 L N -1.525 119.706 121.223 0.013 0.000 2.478 6084 L HA 0.043 4.383 4.340 0.000 0.000 0.223 6084 L C 1.310 178.177 176.870 -0.006 0.000 1.140 6084 L CA 0.719 55.558 54.840 -0.002 0.000 0.842 6084 L CB 0.207 42.266 42.059 -0.001 0.000 0.953 6084 L HN 0.451 nan 8.230 nan 0.000 0.452 6085 G N -0.861 107.940 108.800 0.002 0.000 2.273 6085 G HA2 -0.145 3.815 3.960 0.000 0.000 0.162 6085 G HA3 -0.145 3.815 3.960 0.000 0.000 0.162 6085 G C 0.180 175.056 174.900 -0.041 0.000 1.006 6085 G CA -0.735 44.357 45.100 -0.013 0.000 0.704 6085 G HN 0.010 nan 8.290 nan 0.000 0.487 6086 I N 1.260 121.792 120.570 -0.063 0.000 2.588 6086 I HA 0.355 4.525 4.170 0.000 0.000 0.283 6086 I C 1.245 177.248 176.117 -0.190 0.000 1.119 6086 I CA 0.162 61.328 61.300 -0.223 0.000 1.419 6086 I CB 1.053 38.787 38.000 -0.443 0.000 1.394 6086 I HN 0.074 nan 8.210 nan 0.000 0.562 6087 R N 2.842 123.203 120.500 -0.233 0.000 2.469 6087 R HA 0.203 4.543 4.340 0.000 0.000 0.250 6087 R C -0.254 175.993 176.300 -0.089 0.000 0.909 6087 R CA 0.197 56.253 56.100 -0.074 0.000 1.050 6087 R CB 0.597 30.880 30.300 -0.028 0.000 1.256 6087 R HN 0.543 nan 8.270 nan 0.000 0.550 6088 T N 1.208 115.574 114.554 -0.313 0.000 2.879 6088 T HA 0.590 4.940 4.350 0.000 0.000 0.290 6088 T C -1.055 173.382 174.700 -0.438 0.000 0.993 6088 T CA -0.304 61.676 62.100 -0.200 0.000 0.975 6088 T CB 1.333 70.134 68.868 -0.111 0.000 0.981 6088 T HN -0.170 nan 8.240 nan 0.000 0.439 6089 F N 2.415 122.360 119.950 -0.009 0.000 2.507 6089 F HA 0.602 5.129 4.527 0.000 0.000 0.325 6089 F C -0.304 175.491 175.800 -0.009 0.000 1.116 6089 F CA -1.093 56.901 58.000 -0.009 0.000 0.930 6089 F CB 1.474 40.465 39.000 -0.017 0.000 1.146 6089 F HN 0.222 nan 8.300 nan 0.000 0.447 6090 L N 4.058 125.363 121.223 0.137 0.000 2.345 6090 L HA 0.498 4.838 4.340 0.000 0.000 0.274 6090 L C -0.080 176.839 176.870 0.082 0.000 0.999 6090 L CA -0.679 54.209 54.840 0.081 0.000 0.849 6090 L CB 1.710 43.787 42.059 0.031 0.000 1.220 6090 L HN 0.596 nan 8.230 nan 0.000 0.422 6091 R N 3.116 123.660 120.500 0.073 0.000 2.438 6091 R HA 0.463 4.803 4.340 0.000 0.000 0.287 6091 R C -0.878 175.444 176.300 0.037 0.000 1.077 6091 R CA -0.399 55.734 56.100 0.056 0.000 1.034 6091 R CB 1.025 31.349 30.300 0.040 0.000 0.993 6091 R HN 0.526 nan 8.270 nan 0.000 0.459 6092 I N 4.149 124.739 120.570 0.033 0.000 2.410 6092 I HA 0.569 4.739 4.170 0.000 0.000 0.286 6092 I C -0.619 175.511 176.117 0.022 0.000 1.009 6092 I CA -0.065 61.249 61.300 0.023 0.000 1.111 6092 I CB 1.664 39.673 38.000 0.016 0.000 1.262 6092 I HN 0.748 nan 8.210 nan 0.000 0.443 6093 G N 4.122 112.935 108.800 0.021 0.000 3.105 6093 G HA2 0.736 4.696 3.960 0.000 0.000 0.277 6093 G HA3 0.736 4.696 3.960 0.000 0.000 0.277 6093 G C -1.061 173.853 174.900 0.023 0.000 1.375 6093 G CA -0.284 44.828 45.100 0.021 0.000 0.962 6093 G HN 0.624 nan 8.290 nan 0.000 0.541 6094 T N -3.037 111.532 114.554 0.026 0.000 2.912 6094 T HA 0.742 5.092 4.350 0.000 0.000 0.288 6094 T C -0.548 174.178 174.700 0.043 0.000 1.030 6094 T CA -0.682 61.437 62.100 0.032 0.000 1.020 6094 T CB 2.100 70.987 68.868 0.031 0.000 1.056 6094 T HN 0.780 nan 8.240 nan 0.000 0.480 6095 T N -0.133 114.447 114.554 0.043 0.000 2.889 6095 T HA 0.667 5.017 4.350 0.000 0.000 0.315 6095 T C -0.470 174.256 174.700 0.042 0.000 1.291 6095 T CA -0.448 61.679 62.100 0.045 0.000 1.028 6095 T CB 1.374 70.259 68.868 0.029 0.000 1.235 6095 T HN 1.159 nan 8.240 nan 0.000 0.491 6096 G N 1.711 110.540 108.800 0.049 0.000 2.347 6096 G HA2 0.627 4.587 3.960 0.000 0.000 0.314 6096 G HA3 0.627 4.587 3.960 0.000 0.000 0.314 6096 G C -0.004 174.912 174.900 0.027 0.000 1.126 6096 G CA -0.254 44.870 45.100 0.040 0.000 0.929 6096 G HN 0.963 nan 8.290 nan 0.000 0.441 6097 A N 2.346 125.162 122.820 -0.006 0.000 2.388 6097 A HA 0.517 4.837 4.320 0.000 0.000 0.257 6097 A C 1.110 178.665 177.584 -0.048 0.000 1.095 6097 A CA -0.447 51.561 52.037 -0.048 0.000 0.791 6097 A CB 0.243 19.202 19.000 -0.068 0.000 1.029 6097 A HN 1.264 nan 8.150 nan 0.000 0.489 6098 I N -1.778 118.739 120.570 -0.089 0.000 4.082 6098 I HA 0.237 4.407 4.170 0.000 0.000 0.337 6098 I C -0.149 175.924 176.117 -0.074 0.000 1.352 6098 I CA -0.289 60.966 61.300 -0.076 0.000 1.097 6098 I CB 0.189 38.107 38.000 -0.137 0.000 1.048 6098 I HN 0.344 nan 8.210 nan 0.000 0.393 6099 Q N 2.671 122.414 119.800 -0.095 0.000 2.256 6099 Q HA 0.386 4.726 4.340 0.000 0.000 0.257 6099 Q C -1.849 174.068 176.000 -0.139 0.000 0.936 6099 Q CA -2.128 53.614 55.803 -0.101 0.000 0.903 6099 Q CB 1.833 30.514 28.738 -0.095 0.000 1.263 6099 Q HN 0.032 nan 8.270 nan 0.000 0.440 6100 P HA -0.119 nan 4.420 nan 0.000 0.223 6100 P C 0.397 177.467 177.300 -0.383 0.000 1.151 6100 P CA 1.378 64.278 63.100 -0.333 0.000 0.787 6100 P CB 0.399 31.809 31.700 -0.484 0.000 0.788 6101 H N -1.090 117.959 119.070 -0.035 0.000 2.586 6101 H HA 0.288 4.844 4.556 0.000 0.000 0.273 6101 H C 0.937 176.243 175.328 -0.037 0.000 0.997 6101 H CA -0.309 55.728 56.048 -0.019 0.000 1.177 6101 H CB 0.241 30.006 29.762 0.004 0.000 1.471 6101 H HN 0.206 nan 8.280 nan 0.000 0.538 6102 I N 3.009 123.552 120.570 -0.045 0.000 2.379 6102 I HA -0.011 4.159 4.170 0.000 0.000 0.290 6102 I C -0.064 176.036 176.117 -0.028 0.000 1.063 6102 I CA -0.316 60.913 61.300 -0.119 0.000 1.351 6102 I CB 0.455 38.291 38.000 -0.273 0.000 1.410 6102 I HN -0.014 nan 8.210 nan 0.000 0.505 6103 N N 5.686 124.404 118.700 0.030 0.000 2.524 6103 N HA 0.236 4.976 4.740 0.000 0.000 0.283 6103 N C -0.351 175.170 175.510 0.018 0.000 1.142 6103 N CA -0.597 52.470 53.050 0.029 0.000 0.984 6103 N CB 1.447 39.960 38.487 0.044 0.000 1.155 6103 N HN 0.199 nan 8.380 nan 0.000 0.467 6104 V N 1.105 121.025 119.914 0.009 0.000 2.644 6104 V HA 0.192 4.312 4.120 0.000 0.000 0.305 6104 V C 1.544 177.639 176.094 0.002 0.000 1.053 6104 V CA 1.729 64.033 62.300 0.006 0.000 1.186 6104 V CB 0.043 31.869 31.823 0.005 0.000 0.895 6104 V HN 1.045 nan 8.190 nan 0.000 0.490 6105 G N 3.858 112.660 108.800 0.003 0.000 2.234 6105 G HA2 -0.185 3.775 3.960 0.000 0.000 0.235 6105 G HA3 -0.185 3.775 3.960 0.000 0.000 0.235 6105 G C -0.012 174.887 174.900 -0.002 0.000 0.997 6105 G CA 0.023 45.114 45.100 -0.015 0.000 0.623 6105 G HN 0.673 nan 8.290 nan 0.000 0.514 6106 D N 0.287 120.709 120.400 0.037 0.000 2.400 6106 D HA 0.430 5.070 4.640 0.000 0.000 0.238 6106 D C 0.570 176.929 176.300 0.098 0.000 1.157 6106 D CA 0.199 54.255 54.000 0.093 0.000 0.889 6106 D CB 1.557 42.471 40.800 0.190 0.000 1.199 6106 D HN 0.208 nan 8.370 nan 0.000 0.436 6107 V N 2.705 122.688 119.914 0.116 0.000 2.370 6107 V HA 0.291 4.411 4.120 0.000 0.000 0.283 6107 V C 0.116 176.279 176.094 0.115 0.000 1.023 6107 V CA -0.671 61.686 62.300 0.096 0.000 0.857 6107 V CB 1.000 32.872 31.823 0.081 0.000 0.985 6107 V HN 0.258 nan 8.190 nan 0.000 0.443 6108 L N 5.687 126.964 121.223 0.089 0.000 2.313 6108 L HA 0.629 4.969 4.340 0.000 0.000 0.283 6108 L C -0.592 176.307 176.870 0.048 0.000 1.013 6108 L CA -0.780 54.111 54.840 0.086 0.000 0.816 6108 L CB 1.879 43.972 42.059 0.057 0.000 1.236 6108 L HN 0.316 nan 8.230 nan 0.000 0.419 6109 V N 1.880 121.820 119.914 0.042 0.000 2.398 6109 V HA 0.299 4.419 4.120 0.000 0.000 0.286 6109 V C 0.299 176.401 176.094 0.015 0.000 1.026 6109 V CA -0.380 61.931 62.300 0.019 0.000 0.868 6109 V CB 1.776 33.601 31.823 0.004 0.000 0.982 6109 V HN 0.741 nan 8.190 nan 0.000 0.443 6110 T N 3.354 117.912 114.554 0.006 0.000 2.743 6110 T HA 0.203 4.553 4.350 0.000 0.000 0.293 6110 T C 1.319 176.020 174.700 0.002 0.000 0.945 6110 T CA 0.170 62.270 62.100 -0.000 0.000 1.030 6110 T CB 1.206 70.070 68.868 -0.007 0.000 0.912 6110 T HN 0.967 nan 8.240 nan 0.000 0.483 6111 T N 0.738 115.295 114.554 0.004 0.000 2.937 6111 T HA 0.454 4.804 4.350 0.000 0.000 0.260 6111 T C 0.734 175.440 174.700 0.009 0.000 1.051 6111 T CA 0.311 62.418 62.100 0.013 0.000 1.141 6111 T CB 0.148 69.028 68.868 0.021 0.000 0.879 6111 T HN 0.760 nan 8.240 nan 0.000 0.459 6112 A N -0.038 122.778 122.820 -0.005 0.000 2.601 6112 A HA 0.668 4.988 4.320 0.000 0.000 0.291 6112 A C -1.063 176.501 177.584 -0.033 0.000 1.075 6112 A CA -0.856 51.173 52.037 -0.013 0.000 0.671 6112 A CB 1.250 20.240 19.000 -0.017 0.000 1.277 6112 A HN 0.212 nan 8.150 nan 0.000 0.417 6113 S N -0.119 115.558 115.700 -0.037 0.000 2.513 6113 S HA 0.570 5.040 4.470 0.000 0.000 0.299 6113 S C -0.310 174.235 174.600 -0.092 0.000 1.087 6113 S CA -0.578 57.581 58.200 -0.069 0.000 1.012 6113 S CB 1.663 64.833 63.200 -0.050 0.000 1.044 6113 S HN 0.932 nan 8.310 nan 0.000 0.485 6114 V N 3.517 123.324 119.914 -0.179 0.000 2.485 6114 V HA 0.100 4.220 4.120 0.000 0.000 0.287 6114 V C 0.743 176.748 176.094 -0.149 0.000 1.022 6114 V CA 0.164 62.318 62.300 -0.244 0.000 1.067 6114 V CB -0.416 31.054 31.823 -0.587 0.000 0.967 6114 V HN 0.705 nan 8.190 nan 0.000 0.479 6115 R N 5.320 125.786 120.500 -0.057 0.000 3.268 6115 R HA 0.267 4.607 4.340 0.000 0.000 0.217 6115 R C 0.119 176.451 176.300 0.053 0.000 1.568 6115 R CA -0.098 56.011 56.100 0.014 0.000 1.322 6115 R CB -0.099 30.235 30.300 0.057 0.000 1.280 6115 R HN 0.676 nan 8.270 nan 0.000 0.667 6116 L N 1.797 123.052 121.223 0.054 0.000 2.851 6116 L HA 0.112 4.452 4.340 0.000 0.000 0.237 6116 L C 0.382 177.333 176.870 0.136 0.000 1.257 6116 L CA -0.215 54.725 54.840 0.166 0.000 1.061 6116 L CB -0.740 41.451 42.059 0.220 0.000 1.372 6116 L HN 0.481 nan 8.230 nan 0.000 0.493 6117 D N -1.344 119.114 120.400 0.096 0.000 2.525 6117 D HA 0.327 4.967 4.640 0.000 0.000 0.249 6117 D C 0.689 177.040 176.300 0.083 0.000 1.072 6117 D CA -0.318 53.725 54.000 0.071 0.000 1.067 6117 D CB 1.920 42.745 40.800 0.041 0.000 1.282 6117 D HN -0.073 nan 8.370 nan 0.000 0.587 6118 G N -1.090 107.743 108.800 0.055 0.000 2.768 6118 G HA2 0.233 4.193 3.960 0.000 0.000 0.201 6118 G HA3 0.233 4.193 3.960 0.000 0.000 0.201 6118 G C 1.315 176.219 174.900 0.007 0.000 1.089 6118 G CA 0.607 45.743 45.100 0.059 0.000 0.787 6118 G HN 0.618 nan 8.290 nan 0.000 0.547 6119 A N 1.840 124.612 122.820 -0.081 0.000 1.972 6119 A HA -0.043 4.277 4.320 0.000 0.000 0.219 6119 A C 2.678 180.344 177.584 0.137 0.000 1.169 6119 A CA 2.531 54.473 52.037 -0.158 0.000 0.635 6119 A CB -0.723 18.242 19.000 -0.059 0.000 0.810 6119 A HN 0.771 nan 8.150 nan 0.000 0.446 6120 S N 0.293 116.093 115.700 0.166 0.000 2.383 6120 S HA -0.144 4.326 4.470 0.000 0.000 0.229 6120 S C 1.723 176.479 174.600 0.260 0.000 1.030 6120 S CA 1.540 59.884 58.200 0.239 0.000 1.002 6120 S CB -0.815 62.470 63.200 0.141 0.000 0.829 6120 S HN 0.464 nan 8.310 nan 0.000 0.467 6121 L N 0.821 122.173 121.223 0.214 0.000 2.353 6121 L HA -0.024 4.316 4.340 0.000 0.000 0.220 6121 L C 2.312 179.274 176.870 0.153 0.000 1.133 6121 L CA 1.106 56.056 54.840 0.184 0.000 0.798 6121 L CB -0.736 41.428 42.059 0.174 0.000 0.922 6121 L HN 0.510 nan 8.230 nan 0.000 0.445 6122 H N -1.834 117.176 119.070 -0.100 0.000 2.547 6122 H HA 0.028 4.584 4.556 0.000 0.000 0.266 6122 H C 1.238 176.167 175.328 -0.665 0.000 0.988 6122 H CA 0.518 56.348 56.048 -0.364 0.000 1.147 6122 H CB 0.413 29.898 29.762 -0.462 0.000 1.365 6122 H HN 0.357 nan 8.280 nan 0.000 0.589 6123 F N -0.299 119.676 119.950 0.042 0.000 2.667 6123 F HA 0.431 4.958 4.527 0.000 0.000 0.288 6123 F C 0.847 176.557 175.800 -0.150 0.000 1.086 6123 F CA -0.033 57.931 58.000 -0.059 0.000 1.297 6123 F CB 1.029 39.980 39.000 -0.082 0.000 1.059 6123 F HN -0.042 nan 8.300 nan 0.000 0.624 6124 A N 0.473 123.310 122.820 0.029 0.000 2.589 6124 A HA 0.632 4.952 4.320 0.000 0.000 0.296 6124 A C -2.807 174.793 177.584 0.027 0.000 1.062 6124 A CA -1.418 50.559 52.037 -0.099 0.000 0.686 6124 A CB 0.716 19.471 19.000 -0.408 0.000 1.282 6124 A HN -0.177 nan 8.150 nan 0.000 0.404 6125 P HA 0.136 nan 4.420 nan 0.000 0.272 6125 P C 0.852 178.231 177.300 0.133 0.000 1.240 6125 P CA -0.267 62.881 63.100 0.080 0.000 0.791 6125 P CB 0.465 32.208 31.700 0.071 0.000 0.978 6126 M N 1.267 120.933 119.600 0.111 0.000 2.195 6126 M HA -0.194 4.286 4.480 0.000 0.000 0.260 6126 M C 1.415 177.792 176.300 0.129 0.000 1.066 6126 M CA 1.957 57.328 55.300 0.117 0.000 1.089 6126 M CB -1.268 31.386 32.600 0.091 0.000 1.377 6126 M HN 0.298 nan 8.290 nan 0.000 0.411 6127 E N -0.904 119.370 120.200 0.125 0.000 2.204 6127 E HA -0.088 4.262 4.350 0.000 0.000 0.195 6127 E C 0.364 177.040 176.600 0.126 0.000 0.990 6127 E CA 0.517 56.980 56.400 0.106 0.000 0.821 6127 E CB -0.565 29.190 29.700 0.091 0.000 0.750 6127 E HN 0.500 nan 8.360 nan 0.000 0.477 6128 F N 2.841 122.812 119.950 0.036 0.000 2.484 6128 F HA 0.165 4.692 4.527 -0.000 0.000 0.360 6128 F C -2.000 173.819 175.800 0.032 0.000 1.101 6128 F CA -2.856 55.166 58.000 0.036 0.000 1.251 6128 F CB 0.580 39.608 39.000 0.045 0.000 1.132 6128 F HN -0.128 nan 8.300 nan 0.000 0.570 6129 P HA 0.162 nan 4.420 nan 0.000 0.281 6129 P C -1.284 176.017 177.300 0.001 0.000 1.252 6129 P CA -0.417 62.584 63.100 -0.166 0.000 0.778 6129 P CB 1.247 32.792 31.700 -0.259 0.000 0.895 6130 A N 3.977 126.840 122.820 0.071 0.000 3.037 6130 A HA 0.276 4.596 4.320 0.000 0.000 0.272 6130 A C 0.222 177.829 177.584 0.037 0.000 1.723 6130 A CA -0.298 51.794 52.037 0.091 0.000 1.413 6130 A CB -0.929 18.107 19.000 0.061 0.000 1.112 6130 A HN 0.469 nan 8.150 nan 0.000 0.606 6131 V N 1.941 121.876 119.914 0.035 0.000 2.547 6131 V HA 0.723 4.843 4.120 0.000 0.000 0.299 6131 V C 0.570 176.689 176.094 0.041 0.000 1.040 6131 V CA -0.251 62.057 62.300 0.014 0.000 0.913 6131 V CB 1.483 33.290 31.823 -0.025 0.000 0.992 6131 V HN 0.929 nan 8.190 nan 0.000 0.449 6132 A N 4.196 127.038 122.820 0.037 0.000 2.351 6132 A HA 0.405 4.725 4.320 0.000 0.000 0.257 6132 A C 0.052 177.677 177.584 0.068 0.000 1.087 6132 A CA -0.233 51.831 52.037 0.045 0.000 0.798 6132 A CB 0.177 19.194 19.000 0.029 0.000 1.033 6132 A HN 1.032 nan 8.150 nan 0.000 0.488 6133 D N 0.341 120.784 120.400 0.073 0.000 2.455 6133 D HA 0.057 4.697 4.640 0.000 0.000 0.241 6133 D C 0.700 177.065 176.300 0.108 0.000 1.138 6133 D CA 0.151 54.209 54.000 0.097 0.000 0.877 6133 D CB 0.128 40.978 40.800 0.083 0.000 1.187 6133 D HN 0.401 nan 8.370 nan 0.000 0.451 6134 F N 4.154 124.112 119.950 0.013 0.000 2.134 6134 F HA -0.113 4.414 4.527 0.000 0.000 0.299 6134 F C 2.001 177.806 175.800 0.008 0.000 1.097 6134 F CA 1.707 59.711 58.000 0.008 0.000 1.264 6134 F CB -0.319 38.684 39.000 0.004 0.000 1.001 6134 F HN 0.481 nan 8.300 nan 0.000 0.479 6135 A N -0.442 122.370 122.820 -0.013 0.000 1.902 6135 A HA -0.206 4.114 4.320 0.000 0.000 0.217 6135 A C 2.348 179.848 177.584 -0.140 0.000 1.181 6135 A CA 1.794 53.768 52.037 -0.105 0.000 0.623 6135 A CB -1.659 17.357 19.000 0.028 0.000 0.818 6135 A HN 0.572 nan 8.150 nan 0.000 0.443 6136 C N -1.116 118.140 119.300 -0.072 0.000 2.453 6136 C HA -0.068 4.392 4.460 0.000 0.000 0.277 6136 C C 3.043 177.977 174.990 -0.095 0.000 1.262 6136 C CA 1.493 60.476 59.018 -0.058 0.000 1.718 6136 C CB -1.520 26.215 27.740 -0.007 0.000 2.031 6136 C HN 0.647 nan 8.230 nan 0.000 0.480 6137 T N 0.700 115.181 114.554 -0.121 0.000 2.746 6137 T HA -0.166 4.184 4.350 0.000 0.000 0.267 6137 T C 1.792 176.372 174.700 -0.201 0.000 1.039 6137 T CA 2.167 64.187 62.100 -0.132 0.000 1.142 6137 T CB -0.574 68.231 68.868 -0.105 0.000 0.866 6137 T HN 0.594 nan 8.240 nan 0.000 0.444 6138 T N 2.072 116.410 114.554 -0.360 0.000 2.684 6138 T HA -0.077 4.273 4.350 0.000 0.000 0.267 6138 T C 2.410 176.993 174.700 -0.196 0.000 1.036 6138 T CA 1.258 63.141 62.100 -0.362 0.000 1.148 6138 T CB -0.604 67.918 68.868 -0.577 0.000 0.863 6138 T HN 0.452 nan 8.240 nan 0.000 0.436 6139 A N 1.110 123.835 122.820 -0.159 0.000 1.902 6139 A HA -0.007 4.313 4.320 0.000 0.000 0.217 6139 A C 2.312 179.849 177.584 -0.078 0.000 1.181 6139 A CA 1.288 53.267 52.037 -0.098 0.000 0.623 6139 A CB -0.850 18.105 19.000 -0.075 0.000 0.818 6139 A HN 0.477 nan 8.150 nan 0.000 0.443 6140 L N -0.643 120.535 121.223 -0.075 0.000 2.056 6140 L HA -0.154 4.186 4.340 0.000 0.000 0.207 6140 L C 2.534 179.372 176.870 -0.053 0.000 1.078 6140 L CA 1.096 55.904 54.840 -0.053 0.000 0.749 6140 L CB -0.614 41.421 42.059 -0.040 0.000 0.901 6140 L HN 0.239 nan 8.230 nan 0.000 0.433 6141 V N -0.186 119.687 119.914 -0.067 0.000 2.295 6141 V HA -0.276 3.844 4.120 0.000 0.000 0.246 6141 V C 2.369 178.430 176.094 -0.055 0.000 1.049 6141 V CA 1.897 64.162 62.300 -0.058 0.000 1.024 6141 V CB -0.527 31.255 31.823 -0.068 0.000 0.648 6141 V HN 0.459 nan 8.190 nan 0.000 0.447 6142 E N 0.179 120.340 120.200 -0.064 0.000 2.150 6142 E HA -0.134 4.216 4.350 0.000 0.000 0.193 6142 E C 2.299 178.871 176.600 -0.047 0.000 0.985 6142 E CA 1.131 57.499 56.400 -0.054 0.000 0.814 6142 E CB -0.284 29.381 29.700 -0.058 0.000 0.752 6142 E HN 0.606 nan 8.360 nan 0.000 0.466 6143 A N 1.489 124.279 122.820 -0.050 0.000 1.930 6143 A HA -0.059 4.261 4.320 0.000 0.000 0.217 6143 A C 2.374 179.928 177.584 -0.050 0.000 1.175 6143 A CA 1.494 53.502 52.037 -0.049 0.000 0.627 6143 A CB -0.455 18.516 19.000 -0.048 0.000 0.815 6143 A HN 0.280 nan 8.150 nan 0.000 0.443 6144 A N -0.170 122.624 122.820 -0.043 0.000 1.930 6144 A HA -0.116 4.204 4.320 0.000 0.000 0.217 6144 A C 2.100 179.664 177.584 -0.034 0.000 1.175 6144 A CA 1.695 53.711 52.037 -0.035 0.000 0.627 6144 A CB -0.361 18.625 19.000 -0.024 0.000 0.815 6144 A HN 0.533 nan 8.150 nan 0.000 0.443 6145 K N 0.380 120.759 120.400 -0.035 0.000 2.026 6145 K HA -0.133 4.187 4.320 0.000 0.000 0.208 6145 K C 2.454 179.035 176.600 -0.031 0.000 1.048 6145 K CA 1.626 57.894 56.287 -0.031 0.000 0.929 6145 K CB -0.268 32.214 32.500 -0.031 0.000 0.713 6145 K HN 0.650 nan 8.250 nan 0.000 0.439 6146 S N 1.750 117.428 115.700 -0.037 0.000 2.383 6146 S HA -0.171 4.299 4.470 0.000 0.000 0.229 6146 S C 1.958 176.531 174.600 -0.044 0.000 1.030 6146 S CA 1.520 59.697 58.200 -0.038 0.000 1.002 6146 S CB -0.703 62.473 63.200 -0.040 0.000 0.829 6146 S HN 0.503 nan 8.310 nan 0.000 0.467 6147 I N -2.512 118.022 120.570 -0.061 0.000 3.883 6147 I HA 0.561 4.731 4.170 0.000 0.000 0.326 6147 I C 1.263 177.352 176.117 -0.048 0.000 1.283 6147 I CA 0.124 61.373 61.300 -0.084 0.000 1.161 6147 I CB -0.438 37.462 38.000 -0.168 0.000 1.012 6147 I HN 0.351 nan 8.210 nan 0.000 0.421 6148 G N 1.835 110.624 108.800 -0.018 0.000 2.221 6148 G HA2 -0.222 3.738 3.960 0.000 0.000 0.265 6148 G HA3 -0.222 3.738 3.960 0.000 0.000 0.265 6148 G C 0.375 175.311 174.900 0.060 0.000 1.041 6148 G CA 0.122 45.230 45.100 0.014 0.000 0.807 6148 G HN 0.967 nan 8.290 nan 0.000 0.502 6149 A N -0.193 122.672 122.820 0.074 0.000 2.407 6149 A HA 0.676 4.996 4.320 0.000 0.000 0.248 6149 A C 0.923 178.541 177.584 0.057 0.000 1.082 6149 A CA 0.840 52.983 52.037 0.176 0.000 0.785 6149 A CB 0.396 19.521 19.000 0.208 0.000 1.020 6149 A HN 0.856 nan 8.150 nan 0.000 0.489 6150 T N 2.819 117.394 114.554 0.036 0.000 2.752 6150 T HA 0.433 4.783 4.350 0.000 0.000 0.295 6150 T C 0.014 174.666 174.700 -0.081 0.000 0.923 6150 T CA 0.585 62.659 62.100 -0.045 0.000 1.112 6150 T CB -0.077 68.782 68.868 -0.016 0.000 0.884 6150 T HN 0.637 nan 8.240 nan 0.000 0.525 6151 T N 4.297 118.718 114.554 -0.220 0.000 2.893 6151 T HA 0.409 4.759 4.350 0.000 0.000 0.293 6151 T C -0.850 173.607 174.700 -0.406 0.000 1.027 6151 T CA -0.794 61.195 62.100 -0.184 0.000 0.988 6151 T CB 1.158 69.981 68.868 -0.075 0.000 1.043 6151 T HN 0.558 nan 8.240 nan 0.000 0.461 6152 H N 0.753 119.829 119.070 0.010 0.000 2.600 6152 H HA 0.620 5.176 4.556 0.000 0.000 0.357 6152 H C -1.103 174.225 175.328 0.001 0.000 1.106 6152 H CA -0.614 55.438 56.048 0.007 0.000 1.193 6152 H CB 2.064 31.831 29.762 0.009 0.000 1.594 6152 H HN 0.262 nan 8.280 nan 0.000 0.526 6153 V N 1.919 121.893 119.914 0.101 0.000 2.487 6153 V HA 0.717 4.837 4.120 0.000 0.000 0.298 6153 V C 0.444 176.568 176.094 0.049 0.000 1.028 6153 V CA -0.245 62.087 62.300 0.052 0.000 0.860 6153 V CB 1.449 33.286 31.823 0.023 0.000 0.991 6153 V HN 1.114 nan 8.190 nan 0.000 0.427 6154 G N 3.061 111.879 108.800 0.031 0.000 2.360 6154 G HA2 0.379 4.339 3.960 0.000 0.000 0.276 6154 G HA3 0.379 4.339 3.960 0.000 0.000 0.276 6154 G C -1.449 173.449 174.900 -0.003 0.000 1.256 6154 G CA -0.419 44.692 45.100 0.018 0.000 0.890 6154 G HN 0.523 nan 8.290 nan 0.000 0.486 6155 V N 0.798 120.701 119.914 -0.018 0.000 2.607 6155 V HA 0.628 4.748 4.120 0.000 0.000 0.289 6155 V C 0.377 176.423 176.094 -0.081 0.000 1.053 6155 V CA 0.016 62.288 62.300 -0.047 0.000 0.996 6155 V CB 1.305 33.098 31.823 -0.049 0.000 0.995 6155 V HN 0.793 nan 8.190 nan 0.000 0.476 6156 T N 3.406 117.900 114.554 -0.101 0.000 2.856 6156 T HA 0.677 5.027 4.350 0.000 0.000 0.283 6156 T C -0.135 174.445 174.700 -0.200 0.000 1.008 6156 T CA -0.311 61.711 62.100 -0.130 0.000 0.997 6156 T CB 1.703 70.526 68.868 -0.074 0.000 0.992 6156 T HN 0.915 nan 8.240 nan 0.000 0.454 6157 A N 1.947 124.602 122.820 -0.276 0.000 2.274 6157 A HA 0.666 4.986 4.320 0.000 0.000 0.309 6157 A C 0.221 177.751 177.584 -0.090 0.000 1.226 6157 A CA -0.515 51.322 52.037 -0.332 0.000 0.853 6157 A CB 0.577 19.204 19.000 -0.620 0.000 1.146 6157 A HN 0.630 nan 8.150 nan 0.000 0.518 6158 S N 1.853 117.504 115.700 -0.081 0.000 2.566 6158 S HA 0.544 5.014 4.470 0.000 0.000 0.324 6158 S C -0.211 174.387 174.600 -0.003 0.000 1.081 6158 S CA -0.338 57.851 58.200 -0.019 0.000 1.105 6158 S CB 0.512 63.696 63.200 -0.025 0.000 0.981 6158 S HN 1.001 nan 8.310 nan 0.000 0.464 6159 S N 3.219 118.914 115.700 -0.007 0.000 2.509 6159 S HA 0.373 4.843 4.470 0.000 0.000 0.297 6159 S C 0.362 174.931 174.600 -0.051 0.000 1.118 6159 S CA -0.601 57.567 58.200 -0.054 0.000 1.074 6159 S CB 1.192 64.283 63.200 -0.182 0.000 1.038 6159 S HN 0.715 nan 8.310 nan 0.000 0.498 6160 D N 1.935 122.313 120.400 -0.036 0.000 2.363 6160 D HA 0.111 4.751 4.640 0.000 0.000 0.220 6160 D C 0.693 176.971 176.300 -0.036 0.000 0.994 6160 D CA 0.811 54.800 54.000 -0.019 0.000 0.890 6160 D CB 0.188 40.997 40.800 0.015 0.000 0.906 6160 D HN 0.712 nan 8.370 nan 0.000 0.530 6161 T N -4.205 110.291 114.554 -0.097 0.000 2.906 6161 T HA 0.294 4.644 4.350 0.000 0.000 0.295 6161 T C 0.469 175.097 174.700 -0.120 0.000 1.061 6161 T CA -0.881 61.176 62.100 -0.072 0.000 1.000 6161 T CB 1.140 69.959 68.868 -0.082 0.000 1.103 6161 T HN -0.112 nan 8.240 nan 0.000 0.486 6162 F N 0.039 119.845 119.950 -0.240 0.000 2.335 6162 F HA 0.191 4.718 4.527 0.000 0.000 0.296 6162 F C 0.993 176.448 175.800 -0.576 0.000 1.091 6162 F CA 0.725 58.465 58.000 -0.433 0.000 1.399 6162 F CB 0.022 38.706 39.000 -0.527 0.000 1.067 6162 F HN 0.688 nan 8.300 nan 0.000 0.520 6163 Y N 0.596 120.832 120.300 -0.107 0.000 2.414 6163 Y HA 0.134 4.684 4.550 -0.000 0.000 0.248 6163 Y C -0.510 175.204 175.900 -0.310 0.000 1.054 6163 Y CA 0.307 58.300 58.100 -0.178 0.000 1.156 6163 Y CB -1.838 36.610 38.460 -0.021 0.000 1.051 6163 Y HN -0.242 nan 8.280 nan 0.000 0.485 6164 P HA -0.093 nan 4.420 nan 0.000 0.218 6164 P C 1.387 178.406 177.300 -0.469 0.000 1.149 6164 P CA 2.137 65.101 63.100 -0.227 0.000 0.817 6164 P CB -0.201 31.438 31.700 -0.101 0.000 0.785 6165 G N -0.012 108.386 108.800 -0.670 0.000 2.534 6165 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 6165 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 6165 G C 1.346 175.744 174.900 -0.838 0.000 1.128 6165 G CA 0.216 44.594 45.100 -1.203 0.000 0.784 6165 G HN 0.365 nan 8.290 nan 0.000 0.542 6166 Q N -0.418 118.902 119.800 -0.800 0.000 2.204 6166 Q HA 0.196 4.536 4.340 0.000 0.000 0.209 6166 Q C 0.000 175.623 176.000 -0.629 0.000 0.861 6166 Q CA -0.269 54.817 55.803 -1.195 0.000 0.971 6166 Q CB 0.449 28.401 28.738 -1.309 0.000 1.095 6166 Q HN 0.584 nan 8.270 nan 0.000 0.486 6167 E N 1.749 121.713 120.200 -0.393 0.000 2.269 6167 E HA -0.234 4.116 4.350 0.000 0.000 0.223 6167 E C -0.901 175.484 176.600 -0.358 0.000 1.244 6167 E CA 0.147 56.367 56.400 -0.300 0.000 0.713 6167 E CB -0.344 29.335 29.700 -0.036 0.000 1.178 6167 E HN 0.337 nan 8.360 nan 0.000 0.370 6168 R N 0.199 120.481 120.500 -0.363 0.000 2.265 6168 R HA 0.179 4.519 4.340 0.000 0.000 0.314 6168 R C 0.294 176.451 176.300 -0.238 0.000 1.053 6168 R CA -0.107 55.875 56.100 -0.197 0.000 0.931 6168 R CB 0.478 30.727 30.300 -0.086 0.000 1.024 6168 R HN 0.237 nan 8.270 nan 0.000 0.457 6169 Y N -0.458 119.872 120.300 0.051 0.000 2.458 6169 Y HA 0.034 4.584 4.550 -0.000 0.000 0.254 6169 Y C 0.777 176.700 175.900 0.039 0.000 1.120 6169 Y CA -0.120 58.003 58.100 0.039 0.000 1.282 6169 Y CB 0.590 39.064 38.460 0.023 0.000 1.109 6169 Y HN 0.482 nan 8.280 nan 0.000 0.526 6170 D N 1.653 122.163 120.400 0.182 0.000 2.688 6170 D HA 0.068 4.708 4.640 0.000 0.000 0.228 6170 D C 0.060 176.409 176.300 0.081 0.000 1.116 6170 D CA 0.282 54.359 54.000 0.129 0.000 1.023 6170 D CB -0.242 40.637 40.800 0.132 0.000 1.100 6170 D HN 0.260 nan 8.370 nan 0.000 0.487 6171 T N -2.814 111.762 114.554 0.037 0.000 2.831 6171 T HA 0.179 4.529 4.350 0.000 0.000 0.287 6171 T C 1.097 175.797 174.700 0.000 0.000 1.070 6171 T CA -0.829 61.242 62.100 -0.047 0.000 1.010 6171 T CB 0.609 69.425 68.868 -0.085 0.000 1.264 6171 T HN 0.121 nan 8.240 nan 0.000 0.532 6172 Y N 1.459 121.689 120.300 -0.116 0.000 2.081 6172 Y HA -0.199 4.351 4.550 0.000 0.000 0.280 6172 Y C 2.829 178.708 175.900 -0.034 0.000 1.163 6172 Y CA 2.880 60.937 58.100 -0.071 0.000 1.135 6172 Y CB -0.351 38.058 38.460 -0.085 0.000 0.970 6172 Y HN 0.762 nan 8.280 nan 0.000 0.498 6173 S N -0.972 114.628 115.700 -0.167 0.000 2.425 6173 S HA 0.104 4.574 4.470 0.000 0.000 0.225 6173 S C 1.903 176.445 174.600 -0.096 0.000 1.024 6173 S CA 0.783 58.863 58.200 -0.198 0.000 0.951 6173 S CB -0.529 62.650 63.200 -0.036 0.000 0.796 6173 S HN 1.033 nan 8.310 nan 0.000 0.498 6174 G N 1.627 110.417 108.800 -0.016 0.000 2.168 6174 G HA2 -0.346 3.614 3.960 0.000 0.000 0.263 6174 G HA3 -0.346 3.614 3.960 0.000 0.000 0.263 6174 G C 0.083 175.089 174.900 0.177 0.000 0.977 6174 G CA 0.550 45.698 45.100 0.079 0.000 0.659 6174 G HN 0.914 nan 8.290 nan 0.000 0.533 6175 R N -0.561 120.003 120.500 0.107 0.000 2.668 6175 R HA 0.705 5.045 4.340 0.000 0.000 0.279 6175 R C -0.941 175.409 176.300 0.084 0.000 0.976 6175 R CA -0.623 55.557 56.100 0.132 0.000 0.978 6175 R CB 1.755 32.097 30.300 0.071 0.000 1.133 6175 R HN 0.161 nan 8.270 nan 0.000 0.484 6176 V N 4.322 124.308 119.914 0.119 0.000 2.531 6176 V HA 0.222 4.342 4.120 0.000 0.000 0.301 6176 V C -0.049 176.116 176.094 0.117 0.000 1.034 6176 V CA -0.926 61.398 62.300 0.040 0.000 0.865 6176 V CB 1.669 33.417 31.823 -0.125 0.000 0.995 6176 V HN 0.705 nan 8.190 nan 0.000 0.424 6177 V N 5.842 125.835 119.914 0.131 0.000 3.032 6177 V HA 0.045 4.165 4.120 0.000 0.000 0.307 6177 V C 1.879 178.037 176.094 0.107 0.000 1.097 6177 V CA 0.807 63.182 62.300 0.125 0.000 1.191 6177 V CB 0.894 32.806 31.823 0.148 0.000 0.964 6177 V HN 0.979 nan 8.190 nan 0.000 0.494 6178 R N 3.433 123.967 120.500 0.055 0.000 2.134 6178 R HA -0.239 4.101 4.340 0.000 0.000 0.248 6178 R C 2.304 178.584 176.300 -0.034 0.000 1.143 6178 R CA 2.621 58.732 56.100 0.018 0.000 0.957 6178 R CB -0.366 29.934 30.300 -0.001 0.000 0.867 6178 R HN 0.831 nan 8.270 nan 0.000 0.441 6179 R N -0.712 119.724 120.500 -0.107 0.000 2.139 6179 R HA -0.162 4.178 4.340 0.000 0.000 0.243 6179 R C 1.339 177.377 176.300 -0.438 0.000 1.145 6179 R CA 1.945 57.851 56.100 -0.324 0.000 0.976 6179 R CB -0.152 29.842 30.300 -0.510 0.000 0.866 6179 R HN 0.317 nan 8.270 nan 0.000 0.449 6180 F N 0.190 120.157 119.950 0.029 0.000 2.695 6180 F HA 0.266 4.793 4.527 0.000 0.000 0.303 6180 F C 0.376 176.182 175.800 0.009 0.000 1.091 6180 F CA -0.406 57.610 58.000 0.026 0.000 1.300 6180 F CB 0.476 39.493 39.000 0.028 0.000 1.071 6180 F HN -0.293 nan 8.300 nan 0.000 0.578 6181 K N 0.869 121.357 120.400 0.146 0.000 2.436 6181 K HA 0.232 4.552 4.320 0.000 0.000 0.282 6181 K C 1.140 177.782 176.600 0.069 0.000 1.044 6181 K CA 0.852 57.224 56.287 0.142 0.000 1.028 6181 K CB 0.261 32.832 32.500 0.119 0.000 0.919 6181 K HN 0.368 nan 8.250 nan 0.000 0.474 6182 G N 1.860 110.715 108.800 0.092 0.000 2.184 6182 G HA2 -0.356 3.604 3.960 0.000 0.000 0.264 6182 G HA3 -0.356 3.604 3.960 0.000 0.000 0.264 6182 G C 0.983 175.836 174.900 -0.077 0.000 0.975 6182 G CA 0.828 45.935 45.100 0.011 0.000 0.642 6182 G HN 0.686 nan 8.290 nan 0.000 0.536 6183 S N -0.479 115.184 115.700 -0.062 0.000 2.383 6183 S HA 0.004 4.474 4.470 0.000 0.000 0.227 6183 S C 2.281 176.663 174.600 -0.364 0.000 1.026 6183 S CA 1.718 59.745 58.200 -0.287 0.000 0.981 6183 S CB -0.300 62.902 63.200 0.002 0.000 0.818 6183 S HN 0.757 nan 8.310 nan 0.000 0.472 6184 M N 2.224 121.846 119.600 0.036 0.000 2.117 6184 M HA -0.200 4.280 4.480 0.000 0.000 0.262 6184 M C 2.164 178.479 176.300 0.025 0.000 1.065 6184 M CA 2.336 57.740 55.300 0.172 0.000 1.114 6184 M CB -0.397 32.366 32.600 0.272 0.000 1.361 6184 M HN 0.541 nan 8.290 nan 0.000 0.408 6185 E N -0.070 120.119 120.200 -0.019 0.000 2.118 6185 E HA -0.265 4.085 4.350 0.000 0.000 0.195 6185 E C 1.778 178.327 176.600 -0.085 0.000 0.992 6185 E CA 1.869 58.248 56.400 -0.035 0.000 0.804 6185 E CB -0.690 28.993 29.700 -0.028 0.000 0.741 6185 E HN 0.711 nan 8.360 nan 0.000 0.458 6186 E N 0.289 120.361 120.200 -0.214 0.000 2.051 6186 E HA -0.158 4.192 4.350 0.000 0.000 0.192 6186 E C 1.665 178.180 176.600 -0.142 0.000 0.991 6186 E CA 1.418 57.654 56.400 -0.275 0.000 0.799 6186 E CB -0.224 29.174 29.700 -0.503 0.000 0.748 6186 E HN 0.507 nan 8.360 nan 0.000 0.449 6187 W N 0.996 122.296 121.300 0.000 0.000 2.363 6187 W HA -0.155 4.506 4.660 0.000 0.000 0.296 6187 W C 2.599 179.078 176.519 -0.066 0.000 1.212 6187 W CA 0.516 57.835 57.345 -0.044 0.000 1.260 6187 W CB -0.201 29.196 29.460 -0.105 0.000 1.131 6187 W HN 0.241 nan 8.180 nan 0.000 0.530 6188 Q N 1.003 120.879 119.800 0.127 0.000 2.050 6188 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 6188 Q C 2.397 178.422 176.000 0.042 0.000 0.980 6188 Q CA 2.013 57.846 55.803 0.051 0.000 0.840 6188 Q CB -0.415 28.333 28.738 0.018 0.000 0.898 6188 Q HN 0.242 nan 8.270 nan 0.000 0.424 6189 A N 0.385 123.225 122.820 0.032 0.000 2.019 6189 A HA -0.123 4.197 4.320 0.000 0.000 0.219 6189 A C 1.845 179.455 177.584 0.043 0.000 1.164 6189 A CA 1.306 53.358 52.037 0.024 0.000 0.644 6189 A CB -0.359 18.643 19.000 0.003 0.000 0.805 6189 A HN 0.472 nan 8.150 nan 0.000 0.449 6190 M N -1.372 118.275 119.600 0.078 0.000 2.561 6190 M HA 0.173 4.653 4.480 0.000 0.000 0.238 6190 M C 1.306 177.652 176.300 0.077 0.000 1.131 6190 M CA 0.734 56.092 55.300 0.096 0.000 1.046 6190 M CB 0.283 32.988 32.600 0.176 0.000 1.532 6190 M HN 0.613 nan 8.290 nan 0.000 0.497 6191 G N 0.616 109.451 108.800 0.058 0.000 2.157 6191 G HA2 -0.206 3.754 3.960 0.000 0.000 0.248 6191 G HA3 -0.206 3.754 3.960 0.000 0.000 0.248 6191 G C 0.090 174.999 174.900 0.014 0.000 0.979 6191 G CA -0.172 44.949 45.100 0.034 0.000 0.650 6191 G HN 0.309 nan 8.290 nan 0.000 0.529 6192 V N 1.692 121.619 119.914 0.021 0.000 2.673 6192 V HA 0.206 4.326 4.120 0.000 0.000 0.303 6192 V C 1.848 177.893 176.094 -0.081 0.000 1.046 6192 V CA 1.125 63.399 62.300 -0.043 0.000 1.126 6192 V CB 1.256 33.038 31.823 -0.070 0.000 0.934 6192 V HN 0.392 nan 8.190 nan 0.000 0.487 6193 M N 3.105 122.645 119.600 -0.100 0.000 2.334 6193 M HA 0.120 4.600 4.480 0.000 0.000 0.266 6193 M C 0.566 176.781 176.300 -0.140 0.000 1.082 6193 M CA 0.909 56.146 55.300 -0.106 0.000 1.141 6193 M CB 0.032 32.587 32.600 -0.076 0.000 1.380 6193 M HN 0.960 nan 8.290 nan 0.000 0.440 6194 N N -1.692 116.899 118.700 -0.182 0.000 3.127 6194 N HA 0.143 4.883 4.740 0.000 0.000 0.239 6194 N C -2.027 173.344 175.510 -0.231 0.000 1.407 6194 N CA -0.652 52.296 53.050 -0.171 0.000 0.891 6194 N CB 1.099 39.541 38.487 -0.074 0.000 1.447 6194 N HN -0.122 nan 8.380 nan 0.000 0.507 6195 Y N -0.102 120.152 120.300 -0.078 0.000 2.387 6195 Y HA 0.515 5.065 4.550 -0.000 0.000 0.336 6195 Y C 0.424 176.274 175.900 -0.084 0.000 1.067 6195 Y CA -0.099 57.939 58.100 -0.103 0.000 1.114 6195 Y CB 1.547 39.928 38.460 -0.132 0.000 1.208 6195 Y HN 0.820 nan 8.280 nan 0.000 0.458 6196 E N -0.113 120.153 120.200 0.110 0.000 2.368 6196 E HA 0.500 4.850 4.350 0.000 0.000 0.257 6196 E C -1.036 175.583 176.600 0.032 0.000 1.022 6196 E CA -0.690 55.744 56.400 0.057 0.000 0.886 6196 E CB 1.058 30.781 29.700 0.038 0.000 1.740 6196 E HN 0.447 nan 8.360 nan 0.000 0.456 6197 M N -0.634 118.980 119.600 0.024 0.000 2.289 6197 M HA 0.321 4.801 4.480 0.000 0.000 0.335 6197 M C -0.021 176.282 176.300 0.005 0.000 0.961 6197 M CA 0.243 55.550 55.300 0.011 0.000 1.018 6197 M CB 0.692 33.304 32.600 0.020 0.000 1.678 6197 M HN 0.507 nan 8.290 nan 0.000 0.589 6198 E N -0.588 119.614 120.200 0.004 0.000 2.474 6198 E HA 0.067 4.417 4.350 0.000 0.000 0.215 6198 E C 1.839 178.430 176.600 -0.014 0.000 0.867 6198 E CA 0.618 57.015 56.400 -0.004 0.000 1.135 6198 E CB 0.361 30.062 29.700 0.001 0.000 1.147 6198 E HN 0.305 nan 8.360 nan 0.000 0.534 6199 S N 0.756 116.449 115.700 -0.011 0.000 2.383 6199 S HA -0.066 4.404 4.470 0.000 0.000 0.227 6199 S C 2.203 176.791 174.600 -0.020 0.000 1.026 6199 S CA 0.905 59.095 58.200 -0.016 0.000 0.981 6199 S CB -0.226 62.967 63.200 -0.012 0.000 0.818 6199 S HN 0.219 nan 8.310 nan 0.000 0.472 6200 A N 1.769 124.580 122.820 -0.013 0.000 1.902 6200 A HA -0.029 4.291 4.320 0.000 0.000 0.217 6200 A C 2.431 180.015 177.584 -0.001 0.000 1.181 6200 A CA 2.112 54.149 52.037 -0.000 0.000 0.623 6200 A CB -1.645 17.360 19.000 0.009 0.000 0.818 6200 A HN 0.567 nan 8.150 nan 0.000 0.443 6201 T N 0.028 114.572 114.554 -0.016 0.000 2.701 6201 T HA -0.116 4.234 4.350 0.000 0.000 0.263 6201 T C 1.886 176.499 174.700 -0.145 0.000 1.040 6201 T CA 1.481 63.553 62.100 -0.046 0.000 1.147 6201 T CB -0.445 68.406 68.868 -0.028 0.000 0.865 6201 T HN 0.359 nan 8.240 nan 0.000 0.426 6202 L N 1.103 122.248 121.223 -0.131 0.000 1.990 6202 L HA -0.055 4.285 4.340 0.000 0.000 0.213 6202 L C 2.210 178.986 176.870 -0.157 0.000 1.072 6202 L CA 1.756 56.487 54.840 -0.181 0.000 0.755 6202 L CB -0.697 41.292 42.059 -0.116 0.000 0.889 6202 L HN 0.247 nan 8.230 nan 0.000 0.432 6203 L N -1.255 119.925 121.223 -0.072 0.000 2.056 6203 L HA -0.184 4.156 4.340 0.000 0.000 0.207 6203 L C 2.373 179.248 176.870 0.008 0.000 1.078 6203 L CA 1.718 56.547 54.840 -0.019 0.000 0.749 6203 L CB -1.130 40.936 42.059 0.012 0.000 0.901 6203 L HN 0.335 nan 8.230 nan 0.000 0.433 6204 T N 0.519 115.075 114.554 0.004 0.000 2.737 6204 T HA -0.206 4.144 4.350 0.000 0.000 0.265 6204 T C 1.851 176.480 174.700 -0.119 0.000 1.038 6204 T CA 1.837 63.968 62.100 0.051 0.000 1.144 6204 T CB -0.236 68.683 68.868 0.086 0.000 0.866 6204 T HN 0.440 nan 8.240 nan 0.000 0.434 6205 M N 0.226 119.616 119.600 -0.350 0.000 2.296 6205 M HA 0.001 4.481 4.480 0.000 0.000 0.265 6205 M C 2.146 178.205 176.300 -0.403 0.000 1.064 6205 M CA 1.417 56.287 55.300 -0.718 0.000 1.109 6205 M CB -1.004 30.709 32.600 -1.479 0.000 1.396 6205 M HN 0.181 nan 8.290 nan 0.000 0.430 6206 C N 1.335 120.483 119.300 -0.254 0.000 2.518 6206 C HA 0.200 4.660 4.460 0.000 0.000 0.279 6206 C C 3.259 178.244 174.990 -0.009 0.000 1.279 6206 C CA 0.946 59.890 59.018 -0.124 0.000 1.703 6206 C CB -1.079 26.615 27.740 -0.076 0.000 2.072 6206 C HN 0.757 nan 8.230 nan 0.000 0.487 6207 A N 1.042 123.897 122.820 0.058 0.000 2.070 6207 A HA -0.129 4.191 4.320 0.000 0.000 0.220 6207 A C 2.119 179.826 177.584 0.204 0.000 1.159 6207 A CA 2.115 54.258 52.037 0.177 0.000 0.656 6207 A CB -0.568 18.607 19.000 0.293 0.000 0.800 6207 A HN 0.721 nan 8.150 nan 0.000 0.453 6208 S N -2.009 113.703 115.700 0.019 0.000 2.556 6208 S HA 0.181 4.651 4.470 0.000 0.000 0.216 6208 S C 0.880 175.449 174.600 -0.051 0.000 0.970 6208 S CA 0.164 58.277 58.200 -0.145 0.000 0.912 6208 S CB 0.093 62.976 63.200 -0.528 0.000 0.790 6208 S HN 0.627 nan 8.310 nan 0.000 0.504 6209 Q N 0.331 120.124 119.800 -0.012 0.000 2.086 6209 Q HA 0.331 4.671 4.340 0.000 0.000 0.220 6209 Q C 0.559 176.580 176.000 0.035 0.000 0.792 6209 Q CA 0.031 55.840 55.803 0.010 0.000 1.062 6209 Q CB 1.090 29.823 28.738 -0.008 0.000 1.198 6209 Q HN 0.626 nan 8.270 nan 0.000 0.466 6210 G N 1.614 110.445 108.800 0.051 0.000 2.198 6210 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 6210 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 6210 G C -0.170 174.775 174.900 0.074 0.000 1.025 6210 G CA 0.260 45.398 45.100 0.063 0.000 0.769 6210 G HN 0.255 nan 8.290 nan 0.000 0.507 6211 L N -0.724 120.549 121.223 0.084 0.000 2.334 6211 L HA 0.672 5.012 4.340 0.000 0.000 0.273 6211 L C 0.850 177.801 176.870 0.136 0.000 1.013 6211 L CA -1.175 53.746 54.840 0.136 0.000 0.816 6211 L CB 1.556 43.727 42.059 0.187 0.000 1.278 6211 L HN 0.069 nan 8.230 nan 0.000 0.431 6212 R N 1.715 122.307 120.500 0.155 0.000 2.312 6212 R HA 0.785 5.125 4.340 0.000 0.000 0.311 6212 R C -0.766 175.638 176.300 0.173 0.000 1.004 6212 R CA -0.547 55.629 56.100 0.126 0.000 0.902 6212 R CB 1.682 32.031 30.300 0.081 0.000 1.073 6212 R HN 0.698 nan 8.270 nan 0.000 0.457 6213 A N 1.464 124.360 122.820 0.126 0.000 2.449 6213 A HA 0.786 5.106 4.320 0.000 0.000 0.302 6213 A C -0.667 176.959 177.584 0.071 0.000 1.048 6213 A CA -0.655 51.456 52.037 0.124 0.000 0.708 6213 A CB 2.121 21.169 19.000 0.081 0.000 1.274 6213 A HN 0.768 nan 8.150 nan 0.000 0.410 6214 G N -0.193 108.645 108.800 0.063 0.000 2.569 6214 G HA2 0.691 4.651 3.960 0.000 0.000 0.300 6214 G HA3 0.691 4.651 3.960 0.000 0.000 0.300 6214 G C -1.111 173.807 174.900 0.031 0.000 1.269 6214 G CA -0.593 44.525 45.100 0.031 0.000 0.959 6214 G HN 1.152 nan 8.290 nan 0.000 0.478 6215 M N 1.519 121.129 119.600 0.017 0.000 2.224 6215 M HA 0.671 5.151 4.480 0.000 0.000 0.281 6215 M C -1.849 174.458 176.300 0.012 0.000 1.025 6215 M CA -0.832 54.477 55.300 0.016 0.000 0.954 6215 M CB 1.837 34.443 32.600 0.010 0.000 1.639 6215 M HN 0.728 nan 8.290 nan 0.000 0.461 6216 V N 4.189 124.112 119.914 0.015 0.000 2.841 6216 V HA 1.050 5.170 4.120 0.000 0.000 0.310 6216 V C -1.636 174.471 176.094 0.022 0.000 1.090 6216 V CA 0.149 62.459 62.300 0.017 0.000 0.930 6216 V CB 1.942 33.773 31.823 0.013 0.000 1.014 6216 V HN 1.231 nan 8.190 nan 0.000 0.425 6217 A N 3.751 126.587 122.820 0.027 0.000 2.515 6217 A HA 0.919 5.239 4.320 0.000 0.000 0.298 6217 A C -0.223 177.383 177.584 0.037 0.000 1.059 6217 A CA -0.165 51.889 52.037 0.029 0.000 0.698 6217 A CB 1.872 20.887 19.000 0.025 0.000 1.289 6217 A HN 1.617 nan 8.150 nan 0.000 0.404 6218 G N 0.082 108.903 108.800 0.035 0.000 2.348 6218 G HA2 0.524 4.484 3.960 0.000 0.000 0.312 6218 G HA3 0.524 4.484 3.960 0.000 0.000 0.312 6218 G C -0.472 174.447 174.900 0.032 0.000 1.126 6218 G CA -0.352 44.771 45.100 0.038 0.000 0.865 6218 G HN 0.872 nan 8.290 nan 0.000 0.474 6219 V N 3.292 123.225 119.914 0.031 0.000 2.508 6219 V HA 0.106 4.226 4.120 0.000 0.000 0.281 6219 V C 1.337 177.443 176.094 0.020 0.000 1.041 6219 V CA 0.191 62.504 62.300 0.022 0.000 1.016 6219 V CB 0.884 32.715 31.823 0.014 0.000 0.984 6219 V HN 0.769 nan 8.190 nan 0.000 0.478 6220 I N 3.344 123.929 120.570 0.025 0.000 4.139 6220 I HA 0.547 4.717 4.170 0.000 0.000 0.335 6220 I C 0.193 176.327 176.117 0.028 0.000 1.327 6220 I CA 0.277 61.593 61.300 0.027 0.000 1.112 6220 I CB 1.099 39.119 38.000 0.034 0.000 1.058 6220 I HN 0.416 nan 8.210 nan 0.000 0.396 6221 V N 1.301 121.230 119.914 0.025 0.000 3.077 6221 V HA 0.438 4.558 4.120 0.000 0.000 0.299 6221 V C -1.864 174.236 176.094 0.010 0.000 1.276 6221 V CA -0.605 61.708 62.300 0.022 0.000 0.993 6221 V CB 2.298 34.140 31.823 0.032 0.000 1.076 6221 V HN 0.351 nan 8.190 nan 0.000 0.434 6222 N N 4.800 123.502 118.700 0.004 0.000 2.444 6222 N HA 0.399 5.139 4.740 0.000 0.000 0.262 6222 N C 0.538 176.047 175.510 -0.000 0.000 0.974 6222 N CA -0.558 52.487 53.050 -0.008 0.000 0.933 6222 N CB 1.676 40.150 38.487 -0.021 0.000 1.137 6222 N HN 0.615 nan 8.380 nan 0.000 0.498 6223 R N 1.050 121.555 120.500 0.008 0.000 2.276 6223 R HA -0.022 4.318 4.340 0.000 0.000 0.203 6223 R C 1.430 177.745 176.300 0.024 0.000 1.017 6223 R CA 0.736 56.852 56.100 0.028 0.000 1.010 6223 R CB -0.704 29.640 30.300 0.073 0.000 0.900 6223 R HN 0.695 nan 8.270 nan 0.000 0.469 6224 T N -2.830 111.723 114.554 -0.001 0.000 3.118 6224 T HA -0.022 4.328 4.350 0.000 0.000 0.260 6224 T C 1.496 176.192 174.700 -0.007 0.000 1.139 6224 T CA 0.810 62.904 62.100 -0.010 0.000 1.085 6224 T CB 0.216 69.056 68.868 -0.047 0.000 0.934 6224 T HN 0.226 nan 8.240 nan 0.000 0.518 6225 Q N 0.217 120.016 119.800 -0.001 0.000 2.532 6225 Q HA 0.273 4.613 4.340 0.000 0.000 0.247 6225 Q C 0.617 176.626 176.000 0.015 0.000 0.872 6225 Q CA -0.025 55.780 55.803 0.002 0.000 0.963 6225 Q CB 0.651 29.387 28.738 -0.003 0.000 1.159 6225 Q HN 0.773 nan 8.270 nan 0.000 0.598 6226 Q N -1.042 118.770 119.800 0.020 0.000 2.522 6226 Q HA 0.308 4.648 4.340 0.000 0.000 0.285 6226 Q C -0.540 175.478 176.000 0.030 0.000 0.982 6226 Q CA -0.526 55.295 55.803 0.030 0.000 0.805 6226 Q CB 1.026 29.782 28.738 0.031 0.000 1.457 6226 Q HN -0.048 nan 8.270 nan 0.000 0.394 6227 E N 0.420 120.644 120.200 0.040 0.000 2.122 6227 E HA 0.107 4.457 4.350 0.000 0.000 0.190 6227 E C 0.351 176.968 176.600 0.028 0.000 0.977 6227 E CA 0.776 57.189 56.400 0.022 0.000 0.820 6227 E CB 0.444 30.177 29.700 0.054 0.000 0.770 6227 E HN 0.414 nan 8.360 nan 0.000 0.462 6228 I N 1.947 122.559 120.570 0.070 0.000 2.582 6228 I HA 0.273 4.443 4.170 0.000 0.000 0.292 6228 I C -2.469 173.693 176.117 0.074 0.000 1.066 6228 I CA -2.733 58.630 61.300 0.105 0.000 1.053 6228 I CB 1.574 39.659 38.000 0.142 0.000 1.241 6228 I HN -0.206 nan 8.210 nan 0.000 0.421 6229 P HA 0.215 nan 4.420 nan 0.000 0.272 6229 P C 0.196 177.522 177.300 0.043 0.000 1.230 6229 P CA -0.205 62.924 63.100 0.048 0.000 0.788 6229 P CB 1.026 32.752 31.700 0.043 0.000 0.949 6230 N N 0.089 118.808 118.700 0.032 0.000 2.142 6230 N HA 0.023 4.763 4.740 0.000 0.000 0.186 6230 N C 0.794 176.318 175.510 0.023 0.000 1.023 6230 N CA 1.481 54.547 53.050 0.027 0.000 0.852 6230 N CB -0.387 38.112 38.487 0.021 0.000 0.998 6230 N HN 0.656 nan 8.380 nan 0.000 0.424 6240 H N 2.725 121.792 119.070 -0.006 0.000 2.352 6240 H HA 0.298 4.854 4.556 -0.000 0.000 0.299 6240 H C 2.519 177.844 175.328 -0.006 0.000 1.097 6240 H CA 2.330 58.375 56.048 -0.006 0.000 1.311 6240 H CB -0.493 29.268 29.762 -0.002 0.000 1.377 6240 H HN 0.663 nan 8.280 nan 0.000 0.504 6241 A N -0.018 122.874 122.820 0.119 0.000 1.940 6241 A HA -0.151 4.169 4.320 0.000 0.000 0.219 6241 A C 2.658 180.256 177.584 0.022 0.000 1.176 6241 A CA 1.818 53.889 52.037 0.057 0.000 0.631 6241 A CB -0.815 18.215 19.000 0.050 0.000 0.814 6241 A HN 0.266 nan 8.150 nan 0.000 0.446 6242 V N 0.065 119.989 119.914 0.018 0.000 2.323 6242 V HA -0.242 3.878 4.120 0.000 0.000 0.244 6242 V C 2.402 178.482 176.094 -0.023 0.000 1.041 6242 V CA 2.192 64.489 62.300 -0.005 0.000 1.025 6242 V CB -0.676 31.142 31.823 -0.008 0.000 0.656 6242 V HN 0.532 nan 8.190 nan 0.000 0.451 6243 K N -0.075 120.302 120.400 -0.037 0.000 2.063 6243 K HA -0.167 4.153 4.320 0.000 0.000 0.208 6243 K C 2.070 178.631 176.600 -0.065 0.000 1.048 6243 K CA 1.766 58.013 56.287 -0.067 0.000 0.928 6243 K CB -0.394 32.031 32.500 -0.124 0.000 0.713 6243 K HN 0.387 nan 8.250 nan 0.000 0.442 6244 I N 0.430 120.965 120.570 -0.059 0.000 2.179 6244 I HA -0.271 3.899 4.170 0.000 0.000 0.242 6244 I C 2.398 178.495 176.117 -0.033 0.000 1.088 6244 I CA 0.936 62.208 61.300 -0.047 0.000 1.357 6244 I CB -0.260 37.722 38.000 -0.029 0.000 1.051 6244 I HN -0.015 nan 8.210 nan 0.000 0.409 6245 V N 0.304 120.206 119.914 -0.021 0.000 2.490 6245 V HA -0.205 3.915 4.120 0.000 0.000 0.250 6245 V C 2.313 178.394 176.094 -0.021 0.000 1.061 6245 V CA 1.645 63.935 62.300 -0.016 0.000 1.064 6245 V CB 0.131 31.951 31.823 -0.005 0.000 0.670 6245 V HN 0.222 nan 8.190 nan 0.000 0.461 6246 V N -0.063 119.836 119.914 -0.026 0.000 2.379 6246 V HA -0.172 3.948 4.120 0.000 0.000 0.245 6246 V C 2.491 178.566 176.094 -0.031 0.000 1.044 6246 V CA 2.143 64.427 62.300 -0.028 0.000 1.036 6246 V CB -0.585 31.219 31.823 -0.030 0.000 0.664 6246 V HN 0.666 nan 8.190 nan 0.000 0.453 6247 E N 1.010 121.187 120.200 -0.037 0.000 2.077 6247 E HA -0.180 4.170 4.350 0.000 0.000 0.193 6247 E C 2.096 178.673 176.600 -0.037 0.000 0.989 6247 E CA 1.720 58.096 56.400 -0.039 0.000 0.800 6247 E CB -0.470 29.201 29.700 -0.048 0.000 0.746 6247 E HN 0.499 nan 8.360 nan 0.000 0.452 6248 A N 0.820 123.618 122.820 -0.037 0.000 1.902 6248 A HA -0.041 4.279 4.320 0.000 0.000 0.217 6248 A C 2.466 180.030 177.584 -0.034 0.000 1.181 6248 A CA 2.064 54.078 52.037 -0.038 0.000 0.623 6248 A CB -1.077 17.901 19.000 -0.037 0.000 0.818 6248 A HN 0.398 nan 8.150 nan 0.000 0.443 6249 A N -0.295 122.507 122.820 -0.030 0.000 1.908 6249 A HA -0.220 4.100 4.320 0.000 0.000 0.218 6249 A C 2.231 179.797 177.584 -0.030 0.000 1.181 6249 A CA 1.873 53.892 52.037 -0.030 0.000 0.627 6249 A CB -0.553 18.431 19.000 -0.027 0.000 0.818 6249 A HN 0.556 nan 8.150 nan 0.000 0.445 6250 R N -0.438 120.046 120.500 -0.028 0.000 2.103 6250 R HA -0.163 4.177 4.340 0.000 0.000 0.242 6250 R C 2.260 178.545 176.300 -0.026 0.000 1.142 6250 R CA 1.888 57.973 56.100 -0.025 0.000 0.960 6250 R CB -0.211 30.074 30.300 -0.025 0.000 0.858 6250 R HN 0.547 nan 8.270 nan 0.000 0.439 6251 R N -0.309 120.173 120.500 -0.029 0.000 2.235 6251 R HA -0.012 4.328 4.340 0.000 0.000 0.213 6251 R C 1.592 177.875 176.300 -0.028 0.000 1.059 6251 R CA 0.691 56.773 56.100 -0.029 0.000 0.997 6251 R CB 0.116 30.395 30.300 -0.036 0.000 0.884 6251 R HN 0.272 nan 8.270 nan 0.000 0.462 6252 L N 0.226 121.431 121.223 -0.029 0.000 2.693 6252 L HA 0.212 4.552 4.340 0.000 0.000 0.235 6252 L C 0.428 177.281 176.870 -0.028 0.000 1.127 6252 L CA -0.197 54.626 54.840 -0.028 0.000 0.914 6252 L CB 0.223 42.263 42.059 -0.032 0.000 1.193 6252 L HN 0.021 nan 8.230 nan 0.000 0.502 6253 L N 0.000 121.207 121.223 -0.027 0.000 2.949 6253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 6253 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 6253 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502