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 1djp_1_A DATA FIRST_RESID 1008 DATA SEQUENCE KLANVVILAT GGTIAGAGAS AANSATYQAA KVGVDKLIAG VPELADLANV DATA SEQUENCE RGEQVMQIAS ESITNDDLLK LGKRVAELAD SNDVDGIVIT HGTDTLEETA DATA SEQUENCE YFLNLVQKTD KPIVVVGSMR PGTAMSADGM LNLYNAVAVA SNKDSRGKGV DATA SEQUENCE LVTMNDEIQS GRDVSKSINI KTEAFKSAWG PLGMVVEGKS YWFRLPAKRH DATA SEQUENCE TVNSEFDIKQ ISSLPQVDIA YSYGNVTDTA YKALAQNGAK ALIHAGTGNG DATA SEQUENCE SVSSRVVPAL QQLRKNGTQI IRSSHVNQGG FVLRNAEQPD DKNDWVVAHD DATA SEQUENCE LNPEKARILA MVAMTKTQDS KELQRIFWEY 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 1008 K HA 0.000 nan 4.320 nan 0.000 0.191 1008 K C 0.000 176.595 176.600 -0.008 0.000 0.988 1008 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 1008 K CB 0.000 32.497 32.500 -0.006 0.000 1.064 1009 L N 1.827 123.045 121.223 -0.008 0.000 2.349 1009 L HA 0.497 4.837 4.340 0.000 0.000 0.275 1009 L C 0.768 177.631 176.870 -0.012 0.000 1.115 1009 L CA -0.533 54.300 54.840 -0.011 0.000 0.820 1009 L CB 1.208 43.260 42.059 -0.010 0.000 1.135 1009 L HN 0.229 nan 8.230 nan 0.000 0.445 1010 A N 3.677 126.488 122.820 -0.016 0.000 2.466 1010 A HA 0.170 4.490 4.320 0.000 0.000 0.238 1010 A C -0.135 177.440 177.584 -0.014 0.000 1.074 1010 A CA -0.364 51.664 52.037 -0.015 0.000 0.774 1010 A CB 0.001 18.991 19.000 -0.017 0.000 1.015 1010 A HN 0.774 nan 8.150 nan 0.000 0.498 1011 N N 0.720 119.414 118.700 -0.010 0.000 2.437 1011 N HA 0.416 5.156 4.740 0.000 0.000 0.259 1011 N C -1.234 174.272 175.510 -0.007 0.000 0.983 1011 N CA -0.109 52.937 53.050 -0.008 0.000 0.937 1011 N CB 1.602 40.086 38.487 -0.004 0.000 1.122 1011 N HN 0.298 nan 8.380 nan 0.000 0.499 1012 V N 2.417 122.326 119.914 -0.009 0.000 2.495 1012 V HA 0.391 4.511 4.120 0.000 0.000 0.298 1012 V C 0.138 176.231 176.094 -0.002 0.000 1.031 1012 V CA -0.841 61.454 62.300 -0.008 0.000 0.871 1012 V CB 2.119 33.932 31.823 -0.017 0.000 0.988 1012 V HN 0.254 nan 8.190 nan 0.000 0.432 1013 V N 5.945 125.861 119.914 0.003 0.000 2.435 1013 V HA 0.492 4.612 4.120 0.000 0.000 0.290 1013 V C -0.083 176.018 176.094 0.011 0.000 1.030 1013 V CA -0.461 61.844 62.300 0.008 0.000 0.881 1013 V CB 1.737 33.566 31.823 0.011 0.000 0.983 1013 V HN 0.664 nan 8.190 nan 0.000 0.445 1014 I N 5.602 126.179 120.570 0.012 0.000 2.312 1014 I HA 0.273 4.443 4.170 0.000 0.000 0.290 1014 I C -0.845 175.285 176.117 0.021 0.000 1.008 1014 I CA -0.565 60.745 61.300 0.016 0.000 1.226 1014 I CB 1.411 39.419 38.000 0.014 0.000 1.371 1014 I HN 0.335 nan 8.210 nan 0.000 0.468 1015 L N 7.031 128.271 121.223 0.029 0.000 2.288 1015 L HA 0.421 4.761 4.340 0.000 0.000 0.283 1015 L C 0.578 177.470 176.870 0.037 0.000 1.072 1015 L CA -0.212 54.648 54.840 0.034 0.000 0.862 1015 L CB 0.679 42.764 42.059 0.044 0.000 1.245 1015 L HN 0.594 nan 8.230 nan 0.000 0.432 1016 A N 2.118 124.954 122.820 0.026 0.000 2.366 1016 A HA 0.540 4.860 4.320 0.000 0.000 0.272 1016 A C 0.970 178.559 177.584 0.008 0.000 1.135 1016 A CA 0.325 52.373 52.037 0.019 0.000 0.804 1016 A CB 0.175 19.183 19.000 0.013 0.000 1.064 1016 A HN 0.794 nan 8.150 nan 0.000 0.499 1017 T N -0.739 113.810 114.554 -0.008 0.000 3.058 1017 T HA 0.530 4.880 4.350 0.000 0.000 0.278 1017 T C 0.922 175.575 174.700 -0.079 0.000 0.974 1017 T CA 1.074 63.143 62.100 -0.052 0.000 0.893 1017 T CB -0.379 68.430 68.868 -0.098 0.000 1.138 1017 T HN 2.541 nan 8.240 nan 0.000 0.529 1018 G N 0.393 109.167 108.800 -0.042 0.000 2.443 1018 G HA2 0.403 4.363 3.960 0.000 0.000 0.209 1018 G HA3 0.403 4.363 3.960 0.000 0.000 0.209 1018 G C 0.364 175.256 174.900 -0.013 0.000 1.176 1018 G CA 0.069 45.151 45.100 -0.029 0.000 1.074 1018 G HN 2.011 nan 8.290 nan 0.000 0.577 1019 G N -3.014 105.789 108.800 0.005 0.000 2.627 1019 G HA2 0.240 4.200 3.960 0.000 0.000 0.214 1019 G HA3 0.240 4.200 3.960 0.000 0.000 0.214 1019 G C 0.862 175.809 174.900 0.079 0.000 1.331 1019 G CA 0.885 46.016 45.100 0.052 0.000 0.891 1019 G HN 1.941 nan 8.290 nan 0.000 0.539 1020 T N 0.682 115.290 114.554 0.090 0.000 2.951 1020 T HA 0.005 4.355 4.350 0.000 0.000 0.268 1020 T C 2.596 177.236 174.700 -0.100 0.000 1.073 1020 T CA 2.072 64.165 62.100 -0.012 0.000 1.134 1020 T CB -0.257 68.591 68.868 -0.032 0.000 0.884 1020 T HN 0.546 nan 8.240 nan 0.000 0.479 1021 I N 1.928 122.480 120.570 -0.031 0.000 2.208 1021 I HA -0.054 4.116 4.170 0.000 0.000 0.245 1021 I C 2.339 178.435 176.117 -0.034 0.000 1.097 1021 I CA 1.099 62.380 61.300 -0.033 0.000 1.363 1021 I CB -0.636 37.365 38.000 0.001 0.000 1.051 1021 I HN 0.126 nan 8.210 nan 0.000 0.413 1022 A N 0.647 123.458 122.820 -0.015 0.000 2.462 1022 A HA 0.600 4.920 4.320 0.000 0.000 0.261 1022 A C 1.223 178.805 177.584 -0.002 0.000 1.323 1022 A CA 0.144 52.177 52.037 -0.007 0.000 0.913 1022 A CB -1.244 17.759 19.000 0.005 0.000 1.028 1022 A HN 0.348 nan 8.150 nan 0.000 0.511 1023 G N -1.290 107.493 108.800 -0.029 0.000 2.547 1023 G HA2 0.588 4.548 3.960 0.000 0.000 0.291 1023 G HA3 0.588 4.548 3.960 0.000 0.000 0.291 1023 G C -0.289 174.601 174.900 -0.017 0.000 1.211 1023 G CA 0.103 45.203 45.100 0.001 0.000 0.950 1023 G HN 1.095 nan 8.290 nan 0.000 0.504 1024 A N -0.860 121.998 122.820 0.063 0.000 2.465 1024 A HA 0.779 5.099 4.320 0.000 0.000 0.292 1024 A C 0.021 177.678 177.584 0.121 0.000 1.041 1024 A CA 0.081 52.149 52.037 0.052 0.000 0.718 1024 A CB 1.400 20.425 19.000 0.042 0.000 1.266 1024 A HN 1.536 nan 8.150 nan 0.000 0.403 1025 G N -0.238 108.616 108.800 0.091 0.000 2.491 1025 G HA2 0.615 4.575 3.960 0.000 0.000 0.327 1025 G HA3 0.615 4.575 3.960 0.000 0.000 0.327 1025 G C 0.913 175.852 174.900 0.066 0.000 1.189 1025 G CA 0.143 45.316 45.100 0.122 0.000 0.956 1025 G HN 1.563 nan 8.290 nan 0.000 0.491 1026 A N -0.353 122.502 122.820 0.058 0.000 1.969 1026 A HA 0.322 4.642 4.320 0.000 0.000 0.218 1026 A C 1.662 179.262 177.584 0.026 0.000 1.169 1026 A CA 1.954 54.012 52.037 0.035 0.000 0.635 1026 A CB -0.492 18.524 19.000 0.028 0.000 0.810 1026 A HN 1.571 nan 8.150 nan 0.000 0.445 1027 S N -4.092 111.625 115.700 0.028 0.000 2.794 1027 S HA 0.674 5.144 4.470 0.000 0.000 0.299 1027 S C 0.738 175.348 174.600 0.016 0.000 1.179 1027 S CA 0.006 58.217 58.200 0.018 0.000 0.838 1027 S CB 1.048 64.257 63.200 0.015 0.000 1.206 1027 S HN 0.893 nan 8.310 nan 0.000 0.523 1028 A N 0.037 122.863 122.820 0.009 0.000 2.067 1028 A HA 0.516 4.836 4.320 0.000 0.000 0.217 1028 A C 2.002 179.590 177.584 0.007 0.000 1.156 1028 A CA 1.162 53.202 52.037 0.005 0.000 0.683 1028 A CB -1.261 17.739 19.000 0.001 0.000 0.808 1028 A HN 1.398 nan 8.150 nan 0.000 0.455 1029 A N -0.218 122.609 122.820 0.012 0.000 2.208 1029 A HA 0.088 4.408 4.320 0.000 0.000 0.209 1029 A C 0.585 178.184 177.584 0.025 0.000 1.161 1029 A CA 0.076 52.121 52.037 0.014 0.000 0.782 1029 A CB -0.511 18.495 19.000 0.011 0.000 0.816 1029 A HN 0.568 nan 8.150 nan 0.000 0.477 1030 N N 0.490 119.211 118.700 0.035 0.000 2.521 1030 N HA 0.207 4.947 4.740 0.000 0.000 0.236 1030 N C 0.906 176.463 175.510 0.079 0.000 1.067 1030 N CA 0.296 53.383 53.050 0.063 0.000 0.939 1030 N CB 0.836 39.370 38.487 0.078 0.000 1.201 1030 N HN 0.351 nan 8.380 nan 0.000 0.511 1031 S N 0.470 116.218 115.700 0.078 0.000 2.502 1031 S HA 0.207 4.677 4.470 0.000 0.000 0.215 1031 S C 1.330 176.028 174.600 0.164 0.000 1.009 1031 S CA 0.024 58.267 58.200 0.072 0.000 0.908 1031 S CB 0.557 63.779 63.200 0.038 0.000 0.801 1031 S HN 0.431 nan 8.310 nan 0.000 0.505 1032 A N 0.733 123.674 122.820 0.202 0.000 2.226 1032 A HA 0.449 4.769 4.320 0.000 0.000 0.207 1032 A C 0.755 178.421 177.584 0.137 0.000 1.293 1032 A CA 0.144 52.316 52.037 0.226 0.000 0.968 1032 A CB 0.206 19.263 19.000 0.095 0.000 1.044 1032 A HN 0.369 nan 8.150 nan 0.000 0.493 1033 T N 1.453 116.076 114.554 0.115 0.000 2.753 1033 T HA 0.591 4.941 4.350 0.000 0.000 0.297 1033 T C -0.836 173.901 174.700 0.062 0.000 0.981 1033 T CA -0.062 62.018 62.100 -0.033 0.000 0.956 1033 T CB -0.132 68.730 68.868 -0.011 0.000 0.936 1033 T HN 0.502 nan 8.240 nan 0.000 0.463 1034 Y N 0.393 120.692 120.300 -0.001 0.000 2.818 1034 Y HA 0.609 5.159 4.550 0.000 0.000 0.341 1034 Y C -1.437 174.463 175.900 -0.000 0.000 1.283 1034 Y CA -1.488 56.612 58.100 0.000 0.000 1.075 1034 Y CB 1.056 39.518 38.460 0.003 0.000 1.370 1034 Y HN 0.141 nan 8.280 nan 0.000 0.448 1035 Q N 1.621 121.560 119.800 0.232 0.000 2.333 1035 Q HA 0.728 5.068 4.340 0.000 0.000 0.268 1035 Q C -0.550 175.610 176.000 0.266 0.000 1.007 1035 Q CA -0.554 55.332 55.803 0.138 0.000 0.810 1035 Q CB 2.123 30.904 28.738 0.070 0.000 1.264 1035 Q HN 0.973 nan 8.270 nan 0.000 0.452 1036 A N 2.120 125.074 122.820 0.223 0.000 2.296 1036 A HA 0.627 4.947 4.320 0.000 0.000 0.264 1036 A C 0.410 178.050 177.584 0.094 0.000 1.097 1036 A CA 0.458 52.617 52.037 0.203 0.000 0.811 1036 A CB 0.136 19.251 19.000 0.191 0.000 1.072 1036 A HN 1.200 nan 8.150 nan 0.000 0.495 1037 A N -0.114 122.744 122.820 0.063 0.000 2.610 1037 A HA -0.128 4.192 4.320 0.000 0.000 0.299 1037 A C 0.951 178.551 177.584 0.026 0.000 1.487 1037 A CA 1.413 53.468 52.037 0.029 0.000 0.743 1037 A CB -1.679 17.329 19.000 0.013 0.000 1.070 1037 A HN 0.697 nan 8.150 nan 0.000 0.439 1038 K N -1.246 119.172 120.400 0.031 0.000 2.399 1038 K HA 0.282 4.602 4.320 0.000 0.000 0.196 1038 K C 0.409 177.018 176.600 0.015 0.000 1.103 1038 K CA 0.836 57.138 56.287 0.025 0.000 0.986 1038 K CB 0.661 33.182 32.500 0.035 0.000 0.952 1038 K HN 0.489 nan 8.250 nan 0.000 0.541 1039 V N 0.971 120.892 119.914 0.011 0.000 2.547 1039 V HA 0.441 4.561 4.120 0.000 0.000 0.299 1039 V C 0.705 176.802 176.094 0.006 0.000 1.040 1039 V CA -0.965 61.339 62.300 0.007 0.000 0.913 1039 V CB 1.559 33.383 31.823 0.002 0.000 0.992 1039 V HN 0.236 nan 8.190 nan 0.000 0.449 1040 G N 1.297 110.101 108.800 0.006 0.000 2.580 1040 G HA2 0.371 4.331 3.960 0.000 0.000 0.278 1040 G HA3 0.371 4.331 3.960 0.000 0.000 0.278 1040 G C 0.964 175.868 174.900 0.007 0.000 1.212 1040 G CA 0.092 45.196 45.100 0.006 0.000 0.939 1040 G HN 0.568 nan 8.290 nan 0.000 0.513 1041 V N 0.136 120.055 119.914 0.008 0.000 2.307 1041 V HA -0.116 4.004 4.120 0.000 0.000 0.245 1041 V C 2.439 178.540 176.094 0.011 0.000 1.045 1041 V CA 2.892 65.198 62.300 0.010 0.000 1.024 1041 V CB -0.610 31.220 31.823 0.011 0.000 0.651 1041 V HN 0.845 nan 8.190 nan 0.000 0.449 1042 D N -1.012 119.394 120.400 0.009 0.000 2.363 1042 D HA -0.153 4.487 4.640 0.000 0.000 0.220 1042 D C 1.928 178.233 176.300 0.010 0.000 0.994 1042 D CA 0.717 54.723 54.000 0.010 0.000 0.890 1042 D CB -0.294 40.511 40.800 0.009 0.000 0.906 1042 D HN 0.474 nan 8.370 nan 0.000 0.530 1043 K N 0.404 120.809 120.400 0.009 0.000 2.186 1043 K HA 0.076 4.396 4.320 0.000 0.000 0.202 1043 K C 1.824 178.429 176.600 0.009 0.000 1.052 1043 K CA 0.218 56.509 56.287 0.008 0.000 0.965 1043 K CB 0.072 32.575 32.500 0.006 0.000 0.746 1043 K HN 0.148 nan 8.250 nan 0.000 0.457 1044 L N 0.879 122.108 121.223 0.010 0.000 2.056 1044 L HA -0.129 4.211 4.340 0.000 0.000 0.207 1044 L C 2.306 179.187 176.870 0.018 0.000 1.078 1044 L CA 1.048 55.895 54.840 0.012 0.000 0.749 1044 L CB -0.270 41.796 42.059 0.012 0.000 0.901 1044 L HN 0.195 nan 8.230 nan 0.000 0.433 1045 I N -0.079 120.502 120.570 0.018 0.000 2.361 1045 I HA -0.249 3.921 4.170 0.000 0.000 0.251 1045 I C 2.668 178.799 176.117 0.024 0.000 1.133 1045 I CA 1.052 62.366 61.300 0.023 0.000 1.413 1045 I CB -0.369 37.642 38.000 0.018 0.000 1.073 1045 I HN 0.194 nan 8.210 nan 0.000 0.424 1046 A N 0.657 123.488 122.820 0.018 0.000 2.066 1046 A HA -0.019 4.301 4.320 0.000 0.000 0.218 1046 A C 2.340 179.934 177.584 0.016 0.000 1.157 1046 A CA 1.451 53.497 52.037 0.016 0.000 0.670 1046 A CB -0.994 18.012 19.000 0.012 0.000 0.804 1046 A HN 0.454 nan 8.150 nan 0.000 0.453 1047 G N -1.060 107.750 108.800 0.016 0.000 2.572 1047 G HA2 0.221 4.181 3.960 0.000 0.000 0.216 1047 G HA3 0.221 4.181 3.960 0.000 0.000 0.216 1047 G C 0.381 175.293 174.900 0.019 0.000 1.133 1047 G CA 1.019 46.126 45.100 0.013 0.000 0.791 1047 G HN 0.362 nan 8.290 nan 0.000 0.538 1048 V N 1.265 121.200 119.914 0.035 0.000 2.271 1048 V HA 0.213 4.333 4.120 0.000 0.000 0.259 1048 V C -1.675 174.461 176.094 0.071 0.000 1.030 1048 V CA -1.104 61.232 62.300 0.059 0.000 0.957 1048 V CB 1.501 33.382 31.823 0.098 0.000 1.186 1048 V HN -0.012 nan 8.190 nan 0.000 0.471 1049 P HA -0.119 nan 4.420 nan 0.000 0.216 1049 P C 1.290 178.635 177.300 0.075 0.000 1.150 1049 P CA 1.059 64.188 63.100 0.048 0.000 0.837 1049 P CB 0.363 32.081 31.700 0.030 0.000 0.786 1050 E N -1.016 119.247 120.200 0.104 0.000 2.396 1050 E HA -0.143 4.207 4.350 0.000 0.000 0.200 1050 E C 1.639 178.388 176.600 0.249 0.000 1.023 1050 E CA 0.427 56.932 56.400 0.177 0.000 0.857 1050 E CB -1.008 28.796 29.700 0.173 0.000 0.775 1050 E HN 0.122 nan 8.360 nan 0.000 0.525 1051 L N 0.376 121.710 121.223 0.186 0.000 2.127 1051 L HA -0.178 4.162 4.340 0.000 0.000 0.211 1051 L C 2.098 178.984 176.870 0.027 0.000 1.089 1051 L CA 1.790 56.681 54.840 0.084 0.000 0.757 1051 L CB -0.912 41.184 42.059 0.062 0.000 0.899 1051 L HN 0.183 nan 8.230 nan 0.000 0.434 1052 A N -0.886 121.961 122.820 0.044 0.000 1.940 1052 A HA -0.227 4.093 4.320 0.000 0.000 0.219 1052 A C 1.943 179.539 177.584 0.020 0.000 1.176 1052 A CA 1.850 53.902 52.037 0.025 0.000 0.631 1052 A CB -0.621 18.396 19.000 0.028 0.000 0.814 1052 A HN 0.477 nan 8.150 nan 0.000 0.446 1053 D N 0.230 120.655 120.400 0.042 0.000 2.117 1053 D HA -0.136 4.504 4.640 0.000 0.000 0.197 1053 D C 1.919 178.220 176.300 0.001 0.000 0.987 1053 D CA 1.186 55.209 54.000 0.038 0.000 0.829 1053 D CB -0.396 40.455 40.800 0.084 0.000 0.961 1053 D HN 0.495 nan 8.370 nan 0.000 0.460 1054 L N -0.218 120.980 121.223 -0.041 0.000 2.044 1054 L HA 0.096 4.436 4.340 0.000 0.000 0.205 1054 L C 1.185 178.015 176.870 -0.067 0.000 1.075 1054 L CA 0.855 55.635 54.840 -0.099 0.000 0.747 1054 L CB -0.136 41.781 42.059 -0.237 0.000 0.903 1054 L HN 0.007 nan 8.230 nan 0.000 0.435 1055 A N -1.715 121.074 122.820 -0.051 0.000 2.511 1055 A HA 0.407 4.727 4.320 0.000 0.000 0.293 1055 A C -1.396 176.176 177.584 -0.020 0.000 1.098 1055 A CA -0.771 51.245 52.037 -0.034 0.000 0.643 1055 A CB 0.556 19.531 19.000 -0.041 0.000 1.302 1055 A HN 0.019 nan 8.150 nan 0.000 0.446 1056 N N 0.606 119.297 118.700 -0.014 0.000 2.415 1056 N HA 0.363 5.103 4.740 0.000 0.000 0.246 1056 N C -1.030 174.476 175.510 -0.008 0.000 1.078 1056 N CA 0.055 53.101 53.050 -0.007 0.000 0.942 1056 N CB 1.647 40.131 38.487 -0.005 0.000 1.140 1056 N HN 0.542 nan 8.380 nan 0.000 0.501 1057 V N 3.734 123.645 119.914 -0.005 0.000 2.435 1057 V HA 0.464 4.584 4.120 0.000 0.000 0.290 1057 V C -0.493 175.602 176.094 0.002 0.000 1.030 1057 V CA -0.704 61.594 62.300 -0.003 0.000 0.881 1057 V CB 0.984 32.805 31.823 -0.004 0.000 0.983 1057 V HN 0.549 nan 8.190 nan 0.000 0.445 1058 R N 4.690 125.192 120.500 0.003 0.000 2.494 1058 R HA 0.710 5.050 4.340 0.000 0.000 0.305 1058 R C 0.069 176.374 176.300 0.008 0.000 0.959 1058 R CA -0.229 55.874 56.100 0.006 0.000 0.864 1058 R CB 1.963 32.266 30.300 0.005 0.000 1.159 1058 R HN 0.892 nan 8.270 nan 0.000 0.446 1059 G N 1.103 109.908 108.800 0.009 0.000 2.367 1059 G HA2 0.442 4.402 3.960 0.000 0.000 0.314 1059 G HA3 0.442 4.402 3.960 0.000 0.000 0.314 1059 G C -0.948 173.958 174.900 0.011 0.000 1.130 1059 G CA -0.289 44.817 45.100 0.011 0.000 0.864 1059 G HN 0.519 nan 8.290 nan 0.000 0.486 1060 E N 0.253 120.461 120.200 0.013 0.000 2.287 1060 E HA 0.182 4.532 4.350 0.000 0.000 0.274 1060 E C -1.209 175.399 176.600 0.014 0.000 0.896 1060 E CA -0.643 55.765 56.400 0.013 0.000 0.788 1060 E CB 2.075 31.784 29.700 0.015 0.000 1.244 1060 E HN 0.383 nan 8.360 nan 0.000 0.408 1061 Q N 3.342 123.148 119.800 0.011 0.000 2.406 1061 Q HA 0.197 4.537 4.340 0.000 0.000 0.242 1061 Q C -0.103 175.903 176.000 0.009 0.000 1.036 1061 Q CA 0.043 55.851 55.803 0.009 0.000 0.904 1061 Q CB 1.157 29.899 28.738 0.006 0.000 1.244 1061 Q HN 0.473 nan 8.270 nan 0.000 0.478 1062 V N 4.414 124.334 119.914 0.010 0.000 2.535 1062 V HA 0.058 4.178 4.120 0.000 0.000 0.246 1062 V C 0.785 176.881 176.094 0.003 0.000 1.045 1062 V CA 1.718 64.025 62.300 0.012 0.000 1.058 1062 V CB -0.668 31.168 31.823 0.021 0.000 0.689 1062 V HN 0.883 nan 8.190 nan 0.000 0.461 1063 M N -2.176 117.421 119.600 -0.005 0.000 2.790 1063 M HA 0.520 5.000 4.480 0.000 0.000 0.272 1063 M C -1.856 174.431 176.300 -0.021 0.000 1.168 1063 M CA -0.615 54.676 55.300 -0.014 0.000 0.829 1063 M CB 2.302 34.888 32.600 -0.023 0.000 1.675 1063 M HN -0.287 nan 8.290 nan 0.000 0.505 1064 Q N 2.799 122.586 119.800 -0.021 0.000 3.064 1064 Q HA 0.552 4.892 4.340 0.000 0.000 0.258 1064 Q C -1.370 174.615 176.000 -0.024 0.000 0.972 1064 Q CA -0.144 55.648 55.803 -0.019 0.000 0.761 1064 Q CB 1.476 30.209 28.738 -0.008 0.000 1.281 1064 Q HN 0.815 nan 8.270 nan 0.000 0.455 1065 I N -2.585 117.959 120.570 -0.043 0.000 3.108 1065 I HA 0.907 5.077 4.170 0.000 0.000 0.312 1065 I C -0.574 175.514 176.117 -0.048 0.000 1.095 1065 I CA -1.425 59.849 61.300 -0.044 0.000 1.000 1065 I CB 2.097 40.064 38.000 -0.055 0.000 1.229 1065 I HN 0.124 nan 8.210 nan 0.000 0.454 1066 A N 2.356 125.158 122.820 -0.029 0.000 2.269 1066 A HA 0.420 4.740 4.320 0.000 0.000 0.302 1066 A C 1.193 178.762 177.584 -0.025 0.000 1.266 1066 A CA 0.036 52.066 52.037 -0.011 0.000 0.894 1066 A CB 0.408 19.409 19.000 0.001 0.000 1.147 1066 A HN 1.006 nan 8.150 nan 0.000 0.537 1067 S N 2.090 117.773 115.700 -0.028 0.000 2.423 1067 S HA -0.243 4.227 4.470 0.000 0.000 0.238 1067 S C 1.423 176.051 174.600 0.047 0.000 1.028 1067 S CA 1.608 59.806 58.200 -0.003 0.000 1.000 1067 S CB -0.305 62.964 63.200 0.116 0.000 0.797 1067 S HN 0.861 nan 8.310 nan 0.000 0.487 1068 E N 1.195 121.416 120.200 0.035 0.000 2.338 1068 E HA -0.019 4.331 4.350 0.000 0.000 0.197 1068 E C 0.811 177.414 176.600 0.005 0.000 1.007 1068 E CA 1.019 57.433 56.400 0.024 0.000 0.849 1068 E CB -0.492 29.214 29.700 0.009 0.000 0.774 1068 E HN 0.561 nan 8.360 nan 0.000 0.506 1069 S N 0.806 116.504 115.700 -0.004 0.000 2.574 1069 S HA 0.279 4.749 4.470 0.000 0.000 0.242 1069 S C 0.546 175.135 174.600 -0.018 0.000 0.982 1069 S CA -0.529 57.663 58.200 -0.014 0.000 0.977 1069 S CB -0.122 63.068 63.200 -0.018 0.000 0.814 1069 S HN 0.284 nan 8.310 nan 0.000 0.464 1070 I N 3.091 123.655 120.570 -0.011 0.000 2.638 1070 I HA 0.198 4.368 4.170 0.000 0.000 0.286 1070 I C 0.504 176.606 176.117 -0.025 0.000 1.088 1070 I CA 0.187 61.476 61.300 -0.018 0.000 1.397 1070 I CB 1.129 39.133 38.000 0.008 0.000 1.414 1070 I HN 0.219 nan 8.210 nan 0.000 0.566 1071 T N 1.999 116.530 114.554 -0.039 0.000 2.926 1071 T HA 0.335 4.685 4.350 0.000 0.000 0.289 1071 T C 0.718 175.370 174.700 -0.080 0.000 1.054 1071 T CA -0.829 61.241 62.100 -0.049 0.000 1.015 1071 T CB 1.356 70.201 68.868 -0.039 0.000 1.167 1071 T HN 0.567 nan 8.240 nan 0.000 0.526 1072 N N 0.825 119.472 118.700 -0.089 0.000 2.205 1072 N HA -0.094 4.646 4.740 0.000 0.000 0.186 1072 N C 1.235 176.673 175.510 -0.121 0.000 1.015 1072 N CA 1.191 54.162 53.050 -0.132 0.000 0.862 1072 N CB -0.376 38.051 38.487 -0.100 0.000 0.986 1072 N HN 0.610 nan 8.380 nan 0.000 0.429 1073 D N 0.338 120.695 120.400 -0.072 0.000 2.183 1073 D HA -0.082 4.558 4.640 0.000 0.000 0.203 1073 D C 1.025 177.300 176.300 -0.042 0.000 0.969 1073 D CA 0.715 54.687 54.000 -0.046 0.000 0.842 1073 D CB -0.139 40.645 40.800 -0.027 0.000 0.957 1073 D HN 0.226 nan 8.370 nan 0.000 0.484 1074 D N 0.563 120.932 120.400 -0.051 0.000 2.144 1074 D HA -0.066 4.574 4.640 0.000 0.000 0.199 1074 D C 2.382 178.659 176.300 -0.040 0.000 0.984 1074 D CA 0.273 54.252 54.000 -0.035 0.000 0.834 1074 D CB -0.135 40.643 40.800 -0.036 0.000 0.955 1074 D HN 0.226 nan 8.370 nan 0.000 0.465 1075 L N 0.223 121.374 121.223 -0.120 0.000 2.017 1075 L HA -0.145 4.195 4.340 0.000 0.000 0.208 1075 L C 2.569 179.401 176.870 -0.063 0.000 1.073 1075 L CA 0.704 55.405 54.840 -0.232 0.000 0.745 1075 L CB -0.317 41.331 42.059 -0.684 0.000 0.894 1075 L HN 0.059 nan 8.230 nan 0.000 0.432 1076 L N -0.279 120.919 121.223 -0.041 0.000 2.093 1076 L HA -0.232 4.108 4.340 0.000 0.000 0.208 1076 L C 2.747 179.676 176.870 0.098 0.000 1.085 1076 L CA 1.203 56.101 54.840 0.096 0.000 0.755 1076 L CB -0.432 41.658 42.059 0.052 0.000 0.904 1076 L HN 0.272 nan 8.230 nan 0.000 0.435 1077 K N 0.367 120.799 120.400 0.053 0.000 2.002 1077 K HA -0.243 4.077 4.320 0.000 0.000 0.209 1077 K C 2.201 178.843 176.600 0.070 0.000 1.048 1077 K CA 1.592 57.909 56.287 0.049 0.000 0.930 1077 K CB -0.150 32.366 32.500 0.026 0.000 0.714 1077 K HN 0.088 nan 8.250 nan 0.000 0.438 1078 L N 0.994 122.268 121.223 0.085 0.000 2.046 1078 L HA -0.036 4.304 4.340 0.000 0.000 0.208 1078 L C 2.247 179.199 176.870 0.138 0.000 1.077 1078 L CA 2.264 57.168 54.840 0.106 0.000 0.747 1078 L CB -1.014 41.120 42.059 0.125 0.000 0.896 1078 L HN 0.333 nan 8.230 nan 0.000 0.432 1079 G N -0.948 107.981 108.800 0.215 0.000 2.450 1079 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 1079 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 1079 G C 1.681 176.645 174.900 0.106 0.000 1.130 1079 G CA 0.887 46.115 45.100 0.213 0.000 0.760 1079 G HN 0.420 nan 8.290 nan 0.000 0.557 1080 K N -0.331 120.128 120.400 0.098 0.000 2.116 1080 K HA 0.059 4.379 4.320 0.000 0.000 0.203 1080 K C 2.531 179.160 176.600 0.047 0.000 1.052 1080 K CA 0.634 56.958 56.287 0.061 0.000 0.952 1080 K CB -0.009 32.525 32.500 0.056 0.000 0.729 1080 K HN 0.090 nan 8.250 nan 0.000 0.446 1081 R N 1.326 121.857 120.500 0.052 0.000 2.115 1081 R HA -0.064 4.276 4.340 0.000 0.000 0.230 1081 R C 1.821 178.144 176.300 0.038 0.000 1.111 1081 R CA 1.090 57.215 56.100 0.041 0.000 0.976 1081 R CB -0.509 29.816 30.300 0.042 0.000 0.870 1081 R HN -0.062 nan 8.270 nan 0.000 0.445 1082 V N 0.614 120.556 119.914 0.047 0.000 2.358 1082 V HA -0.144 3.976 4.120 0.000 0.000 0.246 1082 V C 2.318 178.427 176.094 0.026 0.000 1.047 1082 V CA 1.791 64.115 62.300 0.039 0.000 1.035 1082 V CB -0.830 31.022 31.823 0.048 0.000 0.658 1082 V HN 0.519 nan 8.190 nan 0.000 0.452 1083 A N -0.318 122.516 122.820 0.023 0.000 1.908 1083 A HA -0.266 4.054 4.320 0.000 0.000 0.218 1083 A C 2.166 179.758 177.584 0.014 0.000 1.181 1083 A CA 2.020 54.065 52.037 0.014 0.000 0.627 1083 A CB -0.485 18.522 19.000 0.012 0.000 0.818 1083 A HN 0.624 nan 8.150 nan 0.000 0.445 1084 E N -0.694 119.516 120.200 0.017 0.000 2.051 1084 E HA -0.168 4.182 4.350 0.000 0.000 0.192 1084 E C 1.815 178.423 176.600 0.013 0.000 0.991 1084 E CA 1.053 57.462 56.400 0.015 0.000 0.799 1084 E CB -0.200 29.510 29.700 0.017 0.000 0.748 1084 E HN 0.387 nan 8.360 nan 0.000 0.449 1085 L N 0.459 121.691 121.223 0.015 0.000 2.141 1085 L HA -0.078 4.262 4.340 0.000 0.000 0.209 1085 L C 2.290 179.166 176.870 0.010 0.000 1.094 1085 L CA 1.528 56.376 54.840 0.013 0.000 0.763 1085 L CB -1.247 40.822 42.059 0.016 0.000 0.908 1085 L HN 0.064 nan 8.230 nan 0.000 0.437 1086 A N -0.948 121.879 122.820 0.011 0.000 1.969 1086 A HA -0.173 4.147 4.320 0.000 0.000 0.218 1086 A C 1.890 179.477 177.584 0.005 0.000 1.169 1086 A CA 1.604 53.646 52.037 0.008 0.000 0.635 1086 A CB -0.375 18.630 19.000 0.008 0.000 0.810 1086 A HN 0.386 nan 8.150 nan 0.000 0.445 1087 D N -0.335 120.068 120.400 0.005 0.000 2.323 1087 D HA 0.038 4.678 4.640 0.000 0.000 0.209 1087 D C 0.795 177.097 176.300 0.002 0.000 0.973 1087 D CA 0.539 54.541 54.000 0.003 0.000 0.874 1087 D CB -0.023 40.778 40.800 0.003 0.000 0.930 1087 D HN 0.322 nan 8.370 nan 0.000 0.521 1088 S N 0.596 116.298 115.700 0.003 0.000 2.548 1088 S HA 0.079 4.549 4.470 0.000 0.000 0.277 1088 S C 1.093 175.694 174.600 0.001 0.000 1.315 1088 S CA -0.524 57.677 58.200 0.003 0.000 1.050 1088 S CB 0.690 63.892 63.200 0.004 0.000 0.918 1088 S HN 0.015 nan 8.310 nan 0.000 0.497 1089 N N 2.784 121.484 118.700 -0.000 0.000 2.467 1089 N HA -0.047 4.693 4.740 0.000 0.000 0.184 1089 N C 0.317 175.826 175.510 -0.002 0.000 1.106 1089 N CA 0.415 53.464 53.050 -0.002 0.000 0.892 1089 N CB 0.028 38.514 38.487 -0.003 0.000 0.969 1089 N HN 0.701 nan 8.380 nan 0.000 0.454 1090 D N 0.196 120.595 120.400 -0.000 0.000 2.328 1090 D HA 0.050 4.690 4.640 0.000 0.000 0.221 1090 D C -0.534 175.766 176.300 0.000 0.000 1.072 1090 D CA 0.156 54.156 54.000 -0.000 0.000 0.850 1090 D CB 0.469 41.270 40.800 0.001 0.000 0.922 1090 D HN -0.200 nan 8.370 nan 0.000 0.516 1091 V N 1.061 120.975 119.914 0.001 0.000 2.487 1091 V HA 0.259 4.379 4.120 0.000 0.000 0.298 1091 V C 0.230 176.324 176.094 -0.000 0.000 1.028 1091 V CA -0.668 61.633 62.300 0.001 0.000 0.860 1091 V CB 2.014 33.840 31.823 0.004 0.000 0.991 1091 V HN -0.036 nan 8.190 nan 0.000 0.427 1092 D N 3.054 123.453 120.400 -0.002 0.000 2.463 1092 D HA 0.234 4.874 4.640 0.000 0.000 0.237 1092 D C 0.770 177.070 176.300 -0.000 0.000 1.013 1092 D CA 0.918 54.916 54.000 -0.003 0.000 0.910 1092 D CB 1.577 42.373 40.800 -0.006 0.000 1.080 1092 D HN 0.684 nan 8.370 nan 0.000 0.498 1093 G N 0.298 109.099 108.800 0.001 0.000 2.696 1093 G HA2 0.618 4.578 3.960 0.000 0.000 0.295 1093 G HA3 0.618 4.578 3.960 0.000 0.000 0.295 1093 G C -1.404 173.500 174.900 0.007 0.000 1.398 1093 G CA -0.525 44.578 45.100 0.005 0.000 0.920 1093 G HN -0.034 nan 8.290 nan 0.000 0.492 1094 I N 1.061 121.639 120.570 0.013 0.000 2.418 1094 I HA 0.394 4.564 4.170 0.000 0.000 0.287 1094 I C -0.542 175.587 176.117 0.019 0.000 1.008 1094 I CA -1.000 60.310 61.300 0.017 0.000 1.104 1094 I CB 2.302 40.316 38.000 0.022 0.000 1.264 1094 I HN 0.109 nan 8.210 nan 0.000 0.438 1095 V N 7.420 127.345 119.914 0.017 0.000 2.459 1095 V HA 0.496 4.616 4.120 0.000 0.000 0.295 1095 V C -0.160 175.952 176.094 0.030 0.000 1.029 1095 V CA -0.472 61.839 62.300 0.018 0.000 0.874 1095 V CB 1.971 33.799 31.823 0.008 0.000 0.985 1095 V HN 0.464 nan 8.190 nan 0.000 0.438 1096 I N 3.998 124.591 120.570 0.039 0.000 2.411 1096 I HA 0.330 4.500 4.170 0.000 0.000 0.284 1096 I C 0.430 176.592 176.117 0.074 0.000 1.012 1096 I CA -0.350 60.987 61.300 0.063 0.000 1.119 1096 I CB 2.144 40.197 38.000 0.087 0.000 1.261 1096 I HN 0.709 nan 8.210 nan 0.000 0.448 1097 T N 2.321 116.916 114.554 0.069 0.000 2.761 1097 T HA 0.319 4.669 4.350 0.000 0.000 0.296 1097 T C -0.422 174.352 174.700 0.124 0.000 0.934 1097 T CA -0.279 61.864 62.100 0.072 0.000 1.091 1097 T CB 0.636 69.529 68.868 0.042 0.000 0.896 1097 T HN 0.521 nan 8.240 nan 0.000 0.515 1098 H N 1.562 120.641 119.070 0.015 0.000 2.894 1098 H HA 0.470 5.026 4.556 0.000 0.000 0.367 1098 H C 0.354 175.710 175.328 0.047 0.000 1.144 1098 H CA -0.427 55.639 56.048 0.030 0.000 1.180 1098 H CB 1.737 31.516 29.762 0.029 0.000 1.758 1098 H HN 1.013 nan 8.280 nan 0.000 0.541 1099 G N 1.515 110.408 108.800 0.155 0.000 2.353 1099 G HA2 0.027 3.987 3.960 0.000 0.000 0.239 1099 G HA3 0.027 3.987 3.960 0.000 0.000 0.239 1099 G C 1.203 176.332 174.900 0.383 0.000 1.295 1099 G CA 0.369 45.595 45.100 0.210 0.000 0.884 1099 G HN 0.729 nan 8.290 nan 0.000 0.537 1100 T N 0.206 114.945 114.554 0.307 0.000 2.881 1100 T HA -0.166 4.184 4.350 0.000 0.000 0.270 1100 T C 1.562 176.485 174.700 0.371 0.000 1.068 1100 T CA 1.707 64.059 62.100 0.421 0.000 1.131 1100 T CB -0.182 68.951 68.868 0.442 0.000 0.871 1100 T HN 0.395 nan 8.240 nan 0.000 0.479 1101 D N 2.214 122.755 120.400 0.235 0.000 2.116 1101 D HA -0.081 4.559 4.640 0.000 0.000 0.193 1101 D C 2.040 178.438 176.300 0.164 0.000 0.998 1101 D CA 2.188 56.279 54.000 0.152 0.000 0.836 1101 D CB -0.404 40.458 40.800 0.103 0.000 0.951 1101 D HN 0.737 nan 8.370 nan 0.000 0.449 1102 T N -2.334 112.354 114.554 0.223 0.000 3.252 1102 T HA 0.240 4.590 4.350 0.000 0.000 0.286 1102 T C 1.497 176.276 174.700 0.132 0.000 1.013 1102 T CA -0.369 61.845 62.100 0.191 0.000 0.914 1102 T CB -0.323 68.654 68.868 0.182 0.000 1.131 1102 T HN 0.072 nan 8.240 nan 0.000 0.529 1103 L N 1.882 123.166 121.223 0.101 0.000 2.079 1103 L HA -0.102 4.238 4.340 0.000 0.000 0.210 1103 L C 2.780 179.598 176.870 -0.086 0.000 1.081 1103 L CA 2.181 56.888 54.840 -0.220 0.000 0.752 1103 L CB -0.268 41.751 42.059 -0.067 0.000 0.896 1103 L HN 0.536 nan 8.230 nan 0.000 0.433 1104 E N -0.638 119.643 120.200 0.134 0.000 2.204 1104 E HA -0.272 4.078 4.350 0.000 0.000 0.195 1104 E C 1.611 178.297 176.600 0.143 0.000 0.990 1104 E CA 1.474 57.966 56.400 0.154 0.000 0.821 1104 E CB -0.316 29.517 29.700 0.222 0.000 0.750 1104 E HN 0.673 nan 8.360 nan 0.000 0.477 1105 E N 0.663 120.937 120.200 0.124 0.000 2.051 1105 E HA -0.070 4.280 4.350 0.000 0.000 0.189 1105 E C 2.135 178.830 176.600 0.159 0.000 0.979 1105 E CA 1.533 58.027 56.400 0.156 0.000 0.803 1105 E CB -0.042 29.724 29.700 0.111 0.000 0.761 1105 E HN 0.214 nan 8.360 nan 0.000 0.451 1106 T N 1.205 115.796 114.554 0.061 0.000 2.708 1106 T HA -0.159 4.191 4.350 0.000 0.000 0.266 1106 T C 2.052 176.839 174.700 0.145 0.000 1.037 1106 T CA 1.277 63.429 62.100 0.087 0.000 1.146 1106 T CB -0.293 68.541 68.868 -0.058 0.000 0.865 1106 T HN 0.240 nan 8.240 nan 0.000 0.435 1107 A N 0.609 123.461 122.820 0.053 0.000 1.940 1107 A HA -0.154 4.166 4.320 0.000 0.000 0.219 1107 A C 2.135 179.845 177.584 0.208 0.000 1.176 1107 A CA 1.637 53.725 52.037 0.086 0.000 0.631 1107 A CB -0.957 18.056 19.000 0.022 0.000 0.814 1107 A HN 0.560 nan 8.150 nan 0.000 0.446 1108 Y N -0.905 119.451 120.300 0.093 0.000 2.263 1108 Y HA -0.096 4.454 4.550 0.000 0.000 0.292 1108 Y C 1.903 177.880 175.900 0.128 0.000 1.130 1108 Y CA 0.765 58.931 58.100 0.110 0.000 1.179 1108 Y CB -0.815 37.715 38.460 0.117 0.000 0.998 1108 Y HN 0.371 nan 8.280 nan 0.000 0.532 1109 F N 0.293 120.236 119.950 -0.011 0.000 2.069 1109 F HA -0.243 4.285 4.527 0.000 0.000 0.298 1109 F C 1.959 177.717 175.800 -0.071 0.000 1.113 1109 F CA 1.871 59.798 58.000 -0.120 0.000 1.214 1109 F CB -0.769 38.199 39.000 -0.052 0.000 0.978 1109 F HN -0.004 nan 8.300 nan 0.000 0.474 1110 L N 0.219 121.404 121.223 -0.063 0.000 2.131 1110 L HA -0.236 4.104 4.340 0.000 0.000 0.210 1110 L C 2.152 178.970 176.870 -0.087 0.000 1.092 1110 L CA 1.618 56.377 54.840 -0.135 0.000 0.759 1110 L CB -0.950 41.131 42.059 0.036 0.000 0.903 1110 L HN 0.253 nan 8.230 nan 0.000 0.435 1111 N N 0.133 118.842 118.700 0.014 0.000 2.309 1111 N HA -0.132 4.608 4.740 0.000 0.000 0.182 1111 N C 1.705 177.264 175.510 0.083 0.000 1.018 1111 N CA 1.044 54.157 53.050 0.104 0.000 0.876 1111 N CB 0.070 38.708 38.487 0.251 0.000 0.972 1111 N HN 0.255 nan 8.380 nan 0.000 0.434 1112 L N -0.864 120.311 121.223 -0.079 0.000 2.253 1112 L HA 0.090 4.430 4.340 0.000 0.000 0.205 1112 L C 1.754 178.580 176.870 -0.073 0.000 1.078 1112 L CA 0.432 55.232 54.840 -0.067 0.000 0.805 1112 L CB -0.013 41.852 42.059 -0.324 0.000 0.963 1112 L HN 0.130 nan 8.230 nan 0.000 0.459 1113 V N -4.696 115.053 119.914 -0.275 0.000 3.643 1113 V HA 0.177 4.297 4.120 0.000 0.000 0.280 1113 V C 0.649 176.652 176.094 -0.151 0.000 1.351 1113 V CA -0.196 61.955 62.300 -0.249 0.000 1.073 1113 V CB 0.027 31.544 31.823 -0.510 0.000 0.863 1113 V HN 0.174 nan 8.190 nan 0.000 0.436 1114 Q N 2.100 121.832 119.800 -0.114 0.000 2.377 1114 Q HA 0.370 4.710 4.340 0.000 0.000 0.249 1114 Q C -0.410 175.585 176.000 -0.009 0.000 1.005 1114 Q CA 0.010 55.782 55.803 -0.052 0.000 0.912 1114 Q CB 1.441 30.157 28.738 -0.036 0.000 1.223 1114 Q HN 0.407 nan 8.270 nan 0.000 0.459 1115 K N 2.429 122.824 120.400 -0.008 0.000 2.155 1115 K HA 0.167 4.487 4.320 0.000 0.000 0.240 1115 K C -0.192 176.409 176.600 0.001 0.000 1.193 1115 K CA 0.066 56.353 56.287 -0.001 0.000 1.104 1115 K CB 0.093 32.589 32.500 -0.006 0.000 1.558 1115 K HN 0.480 nan 8.250 nan 0.000 0.313 1116 T N 0.097 114.658 114.554 0.011 0.000 2.885 1116 T HA 0.127 4.477 4.350 0.000 0.000 0.322 1116 T C -0.483 174.230 174.700 0.022 0.000 1.387 1116 T CA -0.716 61.390 62.100 0.011 0.000 1.041 1116 T CB 1.171 70.044 68.868 0.009 0.000 1.287 1116 T HN 0.437 nan 8.240 nan 0.000 0.491 1117 D N 1.538 121.945 120.400 0.013 0.000 2.369 1117 D HA 0.173 4.813 4.640 0.000 0.000 0.211 1117 D C 0.285 176.590 176.300 0.007 0.000 1.077 1117 D CA -0.064 53.945 54.000 0.015 0.000 0.842 1117 D CB 0.091 40.891 40.800 -0.000 0.000 0.947 1117 D HN 0.388 nan 8.370 nan 0.000 0.509 1118 K N 1.364 121.768 120.400 0.007 0.000 2.382 1118 K HA 0.224 4.544 4.320 0.000 0.000 0.275 1118 K C -2.435 174.173 176.600 0.014 0.000 1.009 1118 K CA -1.477 54.813 56.287 0.006 0.000 0.970 1118 K CB 0.322 32.825 32.500 0.006 0.000 0.934 1118 K HN 0.013 nan 8.250 nan 0.000 0.479 1119 P HA 0.020 nan 4.420 nan 0.000 0.264 1119 P C -0.744 176.573 177.300 0.028 0.000 1.193 1119 P CA 0.494 63.611 63.100 0.028 0.000 0.763 1119 P CB 0.352 32.073 31.700 0.034 0.000 0.810 1120 I N 3.587 124.177 120.570 0.034 0.000 2.439 1120 I HA 0.262 4.432 4.170 0.000 0.000 0.283 1120 I C -0.655 175.482 176.117 0.033 0.000 1.023 1120 I CA -0.804 60.516 61.300 0.032 0.000 1.100 1120 I CB 1.866 39.886 38.000 0.034 0.000 1.238 1120 I HN -0.037 nan 8.210 nan 0.000 0.445 1121 V N 7.179 127.108 119.914 0.025 0.000 2.409 1121 V HA 0.410 4.530 4.120 0.000 0.000 0.291 1121 V C -0.057 176.039 176.094 0.003 0.000 1.020 1121 V CA -0.717 61.592 62.300 0.014 0.000 0.848 1121 V CB 2.114 33.944 31.823 0.012 0.000 0.990 1121 V HN 0.358 nan 8.190 nan 0.000 0.430 1122 V N 5.641 125.544 119.914 -0.018 0.000 2.427 1122 V HA 0.669 4.789 4.120 0.000 0.000 0.286 1122 V C -0.118 175.932 176.094 -0.073 0.000 1.034 1122 V CA -0.506 61.773 62.300 -0.034 0.000 0.893 1122 V CB 1.730 33.512 31.823 -0.068 0.000 0.982 1122 V HN 0.614 nan 8.190 nan 0.000 0.452 1123 V N 3.611 123.500 119.914 -0.042 0.000 3.007 1123 V HA 1.034 5.154 4.120 0.000 0.000 0.311 1123 V C 0.081 176.163 176.094 -0.021 0.000 1.120 1123 V CA 0.510 62.774 62.300 -0.059 0.000 0.980 1123 V CB 2.197 34.004 31.823 -0.027 0.000 1.033 1123 V HN 1.053 nan 8.190 nan 0.000 0.429 1124 G N 2.728 111.507 108.800 -0.035 0.000 2.911 1124 G HA2 0.841 4.801 3.960 0.000 0.000 0.299 1124 G HA3 0.841 4.801 3.960 0.000 0.000 0.299 1124 G C -0.883 174.041 174.900 0.040 0.000 1.283 1124 G CA -0.023 45.096 45.100 0.030 0.000 0.805 1124 G HN 1.706 nan 8.290 nan 0.000 0.548 1125 S N -1.581 114.162 115.700 0.071 0.000 2.547 1125 S HA 0.449 4.919 4.470 0.000 0.000 0.270 1125 S C 0.286 174.928 174.600 0.070 0.000 1.150 1125 S CA -0.631 57.602 58.200 0.055 0.000 0.850 1125 S CB 1.848 65.050 63.200 0.003 0.000 1.118 1125 S HN 0.328 nan 8.310 nan 0.000 0.461 1126 M N 0.743 120.383 119.600 0.066 0.000 2.514 1126 M HA 0.258 4.738 4.480 0.000 0.000 0.258 1126 M C 0.476 176.782 176.300 0.010 0.000 1.119 1126 M CA 0.784 56.127 55.300 0.072 0.000 1.111 1126 M CB -0.874 31.773 32.600 0.078 0.000 1.390 1126 M HN 0.650 nan 8.290 nan 0.000 0.475 1127 R N 0.807 121.268 120.500 -0.064 0.000 2.670 1127 R HA 0.438 4.778 4.340 0.000 0.000 0.289 1127 R C -2.471 173.666 176.300 -0.271 0.000 0.965 1127 R CA -1.724 54.289 56.100 -0.146 0.000 0.899 1127 R CB 1.487 31.747 30.300 -0.067 0.000 1.173 1127 R HN -0.066 nan 8.270 nan 0.000 0.456 1128 P HA -0.012 nan 4.420 nan 0.000 0.271 1128 P C 0.388 177.574 177.300 -0.190 0.000 1.218 1128 P CA -0.036 62.809 63.100 -0.425 0.000 0.780 1128 P CB 0.899 32.279 31.700 -0.534 0.000 0.901 1129 G N 1.618 110.339 108.800 -0.131 0.000 2.501 1129 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 1129 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 1129 G C 1.211 176.079 174.900 -0.053 0.000 1.114 1129 G CA 1.216 46.273 45.100 -0.072 0.000 0.757 1129 G HN 0.638 nan 8.290 nan 0.000 0.559 1130 T N -2.109 112.411 114.554 -0.056 0.000 3.081 1130 T HA 0.567 4.917 4.350 0.000 0.000 0.255 1130 T C 1.212 175.897 174.700 -0.024 0.000 1.113 1130 T CA 0.488 62.571 62.100 -0.029 0.000 1.082 1130 T CB 0.232 69.092 68.868 -0.013 0.000 0.939 1130 T HN 0.352 nan 8.240 nan 0.000 0.506 1131 A N 1.409 124.206 122.820 -0.039 0.000 2.287 1131 A HA 0.714 5.034 4.320 0.000 0.000 0.273 1131 A C 0.347 177.919 177.584 -0.021 0.000 1.091 1131 A CA -0.794 51.228 52.037 -0.025 0.000 0.817 1131 A CB 0.193 19.173 19.000 -0.034 0.000 1.069 1131 A HN 0.474 nan 8.150 nan 0.000 0.492 1132 M N 1.055 120.648 119.600 -0.012 0.000 2.228 1132 M HA 0.140 4.620 4.480 0.000 0.000 0.351 1132 M C 0.564 176.856 176.300 -0.013 0.000 1.233 1132 M CA 0.699 55.992 55.300 -0.011 0.000 1.129 1132 M CB 0.427 33.024 32.600 -0.006 0.000 1.604 1132 M HN 0.895 nan 8.290 nan 0.000 0.457 1133 S N 1.021 116.712 115.700 -0.015 0.000 3.641 1133 S HA -0.159 4.311 4.470 0.000 0.000 0.346 1133 S C 0.131 174.720 174.600 -0.018 0.000 1.074 1133 S CA 0.356 58.547 58.200 -0.015 0.000 1.026 1133 S CB -1.795 61.398 63.200 -0.011 0.000 0.908 1133 S HN 0.944 nan 8.310 nan 0.000 0.479 1134 A N 1.558 124.363 122.820 -0.025 0.000 2.511 1134 A HA 0.354 4.674 4.320 0.000 0.000 0.242 1134 A C 1.245 178.815 177.584 -0.024 0.000 1.069 1134 A CA 0.322 52.338 52.037 -0.035 0.000 0.763 1134 A CB 0.250 19.222 19.000 -0.046 0.000 1.001 1134 A HN 0.556 nan 8.150 nan 0.000 0.498 1135 D N 2.492 122.880 120.400 -0.019 0.000 2.340 1135 D HA 0.000 4.640 4.640 0.000 0.000 0.220 1135 D C 1.335 177.636 176.300 0.001 0.000 1.039 1135 D CA 0.871 54.868 54.000 -0.004 0.000 0.866 1135 D CB -0.507 40.299 40.800 0.010 0.000 0.913 1135 D HN 0.537 nan 8.370 nan 0.000 0.523 1136 G N 1.315 110.109 108.800 -0.010 0.000 2.421 1136 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 1136 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 1136 G C 1.567 176.475 174.900 0.013 0.000 1.171 1136 G CA 1.241 46.339 45.100 -0.002 0.000 0.775 1136 G HN 0.158 nan 8.290 nan 0.000 0.543 1137 M N -0.133 119.472 119.600 0.008 0.000 2.073 1137 M HA -0.002 4.478 4.480 0.000 0.000 0.258 1137 M C 2.341 178.671 176.300 0.049 0.000 1.070 1137 M CA 1.083 56.397 55.300 0.022 0.000 1.103 1137 M CB -0.769 31.830 32.600 -0.002 0.000 1.321 1137 M HN 0.216 nan 8.290 nan 0.000 0.405 1138 L N 0.312 121.551 121.223 0.026 0.000 2.093 1138 L HA -0.136 4.204 4.340 0.000 0.000 0.208 1138 L C 1.981 178.909 176.870 0.098 0.000 1.085 1138 L CA 1.754 56.623 54.840 0.048 0.000 0.755 1138 L CB -0.805 41.260 42.059 0.009 0.000 0.904 1138 L HN 0.282 nan 8.230 nan 0.000 0.435 1139 N N -0.521 118.214 118.700 0.060 0.000 2.120 1139 N HA -0.195 4.545 4.740 0.000 0.000 0.188 1139 N C 1.919 177.463 175.510 0.057 0.000 1.024 1139 N CA 1.410 54.489 53.050 0.048 0.000 0.852 1139 N CB -0.373 38.130 38.487 0.026 0.000 1.003 1139 N HN 0.364 nan 8.380 nan 0.000 0.424 1140 L N -0.532 120.732 121.223 0.068 0.000 2.056 1140 L HA -0.174 4.166 4.340 0.000 0.000 0.207 1140 L C 2.144 179.065 176.870 0.086 0.000 1.078 1140 L CA 1.143 56.020 54.840 0.062 0.000 0.749 1140 L CB -0.327 41.768 42.059 0.060 0.000 0.901 1140 L HN 0.163 nan 8.230 nan 0.000 0.433 1141 Y N 1.223 121.522 120.300 -0.001 0.000 2.128 1141 Y HA -0.313 4.237 4.550 0.000 0.000 0.284 1141 Y C 2.435 178.336 175.900 0.001 0.000 1.154 1141 Y CA 2.139 60.240 58.100 0.001 0.000 1.149 1141 Y CB -0.150 38.311 38.460 0.002 0.000 0.976 1141 Y HN 0.284 nan 8.280 nan 0.000 0.505 1142 N N 0.307 119.093 118.700 0.143 0.000 2.188 1142 N HA -0.149 4.591 4.740 0.000 0.000 0.184 1142 N C 1.947 177.443 175.510 -0.023 0.000 1.018 1142 N CA 1.287 54.367 53.050 0.050 0.000 0.858 1142 N CB -0.790 37.742 38.487 0.074 0.000 0.989 1142 N HN 0.518 nan 8.380 nan 0.000 0.426 1143 A N 0.665 123.478 122.820 -0.012 0.000 1.865 1143 A HA -0.109 4.211 4.320 0.000 0.000 0.217 1143 A C 2.435 179.993 177.584 -0.043 0.000 1.191 1143 A CA 1.604 53.629 52.037 -0.021 0.000 0.623 1143 A CB -0.863 18.133 19.000 -0.007 0.000 0.826 1143 A HN 0.108 nan 8.150 nan 0.000 0.444 1144 V N -0.192 119.676 119.914 -0.076 0.000 2.427 1144 V HA -0.193 3.927 4.120 0.000 0.000 0.248 1144 V C 3.012 179.026 176.094 -0.134 0.000 1.051 1144 V CA 1.732 63.972 62.300 -0.100 0.000 1.048 1144 V CB -1.262 30.485 31.823 -0.127 0.000 0.666 1144 V HN 0.622 nan 8.190 nan 0.000 0.456 1145 A N -0.080 122.621 122.820 -0.198 0.000 1.902 1145 A HA -0.157 4.163 4.320 0.000 0.000 0.217 1145 A C 2.375 179.911 177.584 -0.081 0.000 1.181 1145 A CA 2.151 54.076 52.037 -0.185 0.000 0.623 1145 A CB -0.615 18.257 19.000 -0.213 0.000 0.818 1145 A HN 0.348 nan 8.150 nan 0.000 0.443 1146 V N -0.500 119.386 119.914 -0.047 0.000 2.453 1146 V HA -0.129 3.991 4.120 0.000 0.000 0.247 1146 V C 2.956 179.069 176.094 0.032 0.000 1.048 1146 V CA 1.644 63.950 62.300 0.010 0.000 1.049 1146 V CB -0.920 30.910 31.823 0.013 0.000 0.672 1146 V HN 0.599 nan 8.190 nan 0.000 0.457 1147 A N 0.620 123.442 122.820 0.003 0.000 1.968 1147 A HA -0.129 4.191 4.320 0.000 0.000 0.217 1147 A C 2.374 179.958 177.584 -0.002 0.000 1.169 1147 A CA 1.758 53.800 52.037 0.008 0.000 0.638 1147 A CB -0.467 18.531 19.000 -0.003 0.000 0.812 1147 A HN 0.658 nan 8.150 nan 0.000 0.446 1148 S N -0.756 114.931 115.700 -0.021 0.000 2.593 1148 S HA 0.038 4.508 4.470 0.000 0.000 0.217 1148 S C 0.464 175.055 174.600 -0.015 0.000 0.966 1148 S CA -0.061 58.124 58.200 -0.025 0.000 0.914 1148 S CB -0.648 62.524 63.200 -0.047 0.000 0.776 1148 S HN 0.605 nan 8.310 nan 0.000 0.523 1149 N N 1.301 120.002 118.700 0.003 0.000 2.419 1149 N HA 0.172 4.912 4.740 0.000 0.000 0.264 1149 N C 0.825 176.348 175.510 0.021 0.000 1.031 1149 N CA -0.344 52.717 53.050 0.018 0.000 0.951 1149 N CB 0.957 39.475 38.487 0.052 0.000 1.101 1149 N HN 0.098 nan 8.380 nan 0.000 0.488 1150 K N 3.322 123.721 120.400 -0.001 0.000 2.211 1150 K HA -0.140 4.180 4.320 0.000 0.000 0.204 1150 K C 0.706 177.282 176.600 -0.040 0.000 1.047 1150 K CA 1.654 57.929 56.287 -0.019 0.000 0.935 1150 K CB 0.066 32.550 32.500 -0.026 0.000 0.728 1150 K HN 0.541 nan 8.250 nan 0.000 0.452 1151 D N -0.415 119.968 120.400 -0.027 0.000 2.310 1151 D HA -0.024 4.616 4.640 0.000 0.000 0.212 1151 D C 1.098 177.281 176.300 -0.195 0.000 0.965 1151 D CA 0.750 54.686 54.000 -0.106 0.000 0.879 1151 D CB 0.049 40.841 40.800 -0.013 0.000 0.921 1151 D HN 0.205 nan 8.370 nan 0.000 0.510 1152 S N -0.150 115.548 115.700 -0.004 0.000 2.522 1152 S HA 0.055 4.525 4.470 0.000 0.000 0.227 1152 S C 0.796 175.361 174.600 -0.059 0.000 0.986 1152 S CA 0.035 58.266 58.200 0.051 0.000 0.929 1152 S CB 0.272 63.581 63.200 0.181 0.000 0.769 1152 S HN 0.234 nan 8.310 nan 0.000 0.529 1153 R N 0.609 121.060 120.500 -0.081 0.000 2.643 1153 R HA 0.371 4.711 4.340 0.000 0.000 0.270 1153 R C 1.334 177.577 176.300 -0.096 0.000 1.061 1153 R CA 0.574 56.634 56.100 -0.066 0.000 1.107 1153 R CB -0.013 30.255 30.300 -0.053 0.000 0.999 1153 R HN 0.258 nan 8.270 nan 0.000 0.460 1154 G N 1.604 110.380 108.800 -0.039 0.000 2.153 1154 G HA2 -0.346 3.614 3.960 0.000 0.000 0.252 1154 G HA3 -0.346 3.614 3.960 0.000 0.000 0.252 1154 G C 0.451 175.357 174.900 0.009 0.000 0.994 1154 G CA 0.599 45.699 45.100 0.000 0.000 0.698 1154 G HN 0.630 nan 8.290 nan 0.000 0.521 1155 K N -0.059 120.283 120.400 -0.096 0.000 2.414 1155 K HA 0.479 4.799 4.320 0.000 0.000 0.204 1155 K C 1.409 177.797 176.600 -0.354 0.000 1.026 1155 K CA 0.329 56.488 56.287 -0.214 0.000 1.108 1155 K CB 0.762 33.100 32.500 -0.270 0.000 0.855 1155 K HN 1.387 nan 8.250 nan 0.000 0.517 1156 G N 0.847 109.493 108.800 -0.257 0.000 2.725 1156 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 1156 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 1156 G C -0.401 174.474 174.900 -0.041 0.000 1.357 1156 G CA -0.796 44.184 45.100 -0.200 0.000 0.866 1156 G HN -0.027 nan 8.290 nan 0.000 0.548 1157 V N 0.983 120.905 119.914 0.014 0.000 2.637 1157 V HA 0.468 4.588 4.120 0.000 0.000 0.296 1157 V C 0.538 176.658 176.094 0.044 0.000 1.046 1157 V CA -0.190 62.136 62.300 0.042 0.000 1.066 1157 V CB 1.026 32.889 31.823 0.066 0.000 0.968 1157 V HN 0.676 nan 8.190 nan 0.000 0.483 1158 L N 5.379 126.630 121.223 0.047 0.000 2.354 1158 L HA 0.692 5.032 4.340 0.000 0.000 0.269 1158 L C -0.220 176.652 176.870 0.002 0.000 1.005 1158 L CA -0.579 54.290 54.840 0.049 0.000 0.819 1158 L CB 1.863 43.978 42.059 0.094 0.000 1.311 1158 L HN 0.564 nan 8.230 nan 0.000 0.423 1159 V N -0.721 119.176 119.914 -0.028 0.000 2.487 1159 V HA 0.851 4.971 4.120 0.000 0.000 0.298 1159 V C -0.138 175.905 176.094 -0.085 0.000 1.028 1159 V CA -0.321 61.922 62.300 -0.096 0.000 0.860 1159 V CB 1.627 33.332 31.823 -0.196 0.000 0.991 1159 V HN 0.916 nan 8.190 nan 0.000 0.427 1160 T N 3.952 118.457 114.554 -0.082 0.000 3.053 1160 T HA 0.765 5.115 4.350 0.000 0.000 0.363 1160 T C -0.519 174.152 174.700 -0.049 0.000 1.239 1160 T CA -0.426 61.641 62.100 -0.056 0.000 1.071 1160 T CB 0.197 69.044 68.868 -0.035 0.000 1.089 1160 T HN 0.781 nan 8.240 nan 0.000 0.527 1161 M N 2.573 122.148 119.600 -0.043 0.000 2.593 1161 M HA 0.494 4.974 4.480 0.000 0.000 0.290 1161 M C 0.084 176.399 176.300 0.025 0.000 1.244 1161 M CA -0.868 54.428 55.300 -0.007 0.000 0.857 1161 M CB 2.091 34.682 32.600 -0.015 0.000 1.738 1161 M HN 0.555 nan 8.290 nan 0.000 0.461 1162 N N 1.802 120.525 118.700 0.038 0.000 2.735 1162 N HA -0.188 4.552 4.740 0.000 0.000 0.248 1162 N C -0.783 174.739 175.510 0.019 0.000 1.083 1162 N CA 1.460 54.531 53.050 0.035 0.000 0.703 1162 N CB -1.008 37.509 38.487 0.050 0.000 1.005 1162 N HN 0.898 nan 8.380 nan 0.000 0.550 1163 D N -2.624 117.787 120.400 0.018 0.000 3.077 1163 D HA -0.224 4.416 4.640 0.000 0.000 0.217 1163 D C -0.274 176.029 176.300 0.005 0.000 1.162 1163 D CA 1.671 55.682 54.000 0.018 0.000 0.943 1163 D CB -1.114 39.694 40.800 0.014 0.000 1.122 1163 D HN 0.791 nan 8.370 nan 0.000 0.413 1164 E N -0.351 119.846 120.200 -0.004 0.000 2.243 1164 E HA 0.685 5.035 4.350 0.000 0.000 0.260 1164 E C 0.331 176.900 176.600 -0.051 0.000 0.985 1164 E CA -0.821 55.567 56.400 -0.021 0.000 0.858 1164 E CB 1.691 31.388 29.700 -0.004 0.000 1.210 1164 E HN 0.044 nan 8.360 nan 0.000 0.411 1165 I N 2.423 122.940 120.570 -0.088 0.000 2.405 1165 I HA 0.144 4.314 4.170 0.000 0.000 0.280 1165 I C -0.346 175.744 176.117 -0.045 0.000 1.027 1165 I CA -0.523 60.699 61.300 -0.131 0.000 1.161 1165 I CB 0.851 38.624 38.000 -0.378 0.000 1.300 1165 I HN 0.185 nan 8.210 nan 0.000 0.463 1166 Q N 3.260 123.056 119.800 -0.007 0.000 2.226 1166 Q HA 0.373 4.713 4.340 0.000 0.000 0.256 1166 Q C -0.242 175.791 176.000 0.054 0.000 0.962 1166 Q CA -0.457 55.368 55.803 0.036 0.000 0.887 1166 Q CB 2.575 31.332 28.738 0.032 0.000 1.282 1166 Q HN 0.555 nan 8.270 nan 0.000 0.449 1167 S N 0.024 115.774 115.700 0.083 0.000 2.523 1167 S HA 0.277 4.747 4.470 0.000 0.000 0.275 1167 S C 1.210 175.850 174.600 0.066 0.000 1.281 1167 S CA 0.039 58.288 58.200 0.082 0.000 1.050 1167 S CB 0.618 63.877 63.200 0.097 0.000 0.937 1167 S HN 0.741 nan 8.310 nan 0.000 0.492 1168 G N 4.327 113.166 108.800 0.064 0.000 2.470 1168 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 1168 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 1168 G C 1.417 176.376 174.900 0.099 0.000 1.121 1168 G CA 0.507 45.654 45.100 0.078 0.000 0.766 1168 G HN 0.772 nan 8.290 nan 0.000 0.553 1169 R N 1.251 121.802 120.500 0.084 0.000 2.075 1169 R HA -0.117 4.223 4.340 0.000 0.000 0.230 1169 R C 1.614 177.758 176.300 -0.259 0.000 1.140 1169 R CA 2.128 58.177 56.100 -0.085 0.000 0.928 1169 R CB -0.294 30.026 30.300 0.035 0.000 0.834 1169 R HN 0.451 nan 8.270 nan 0.000 0.429 1170 D N -0.458 119.919 120.400 -0.039 0.000 2.395 1170 D HA 0.057 4.697 4.640 0.000 0.000 0.213 1170 D C 0.298 176.635 176.300 0.062 0.000 1.110 1170 D CA -0.354 53.659 54.000 0.022 0.000 0.835 1170 D CB 0.385 41.295 40.800 0.184 0.000 0.965 1170 D HN 0.022 nan 8.370 nan 0.000 0.505 1171 V N 0.228 120.189 119.914 0.079 0.000 2.715 1171 V HA 0.415 4.535 4.120 0.000 0.000 0.299 1171 V C -0.184 176.020 176.094 0.184 0.000 1.054 1171 V CA 0.192 62.572 62.300 0.132 0.000 1.077 1171 V CB 1.297 33.198 31.823 0.129 0.000 0.972 1171 V HN 0.302 nan 8.190 nan 0.000 0.484 1172 S N 4.680 120.506 115.700 0.210 0.000 2.546 1172 S HA 0.428 4.898 4.470 0.000 0.000 0.274 1172 S C -0.781 173.788 174.600 -0.053 0.000 1.121 1172 S CA -0.892 57.395 58.200 0.144 0.000 0.887 1172 S CB 1.504 64.729 63.200 0.043 0.000 1.094 1172 S HN 0.925 nan 8.310 nan 0.000 0.474 1173 K N 2.457 122.670 120.400 -0.312 0.000 2.278 1173 K HA 0.331 4.651 4.320 0.000 0.000 0.289 1173 K C 0.181 176.580 176.600 -0.335 0.000 1.080 1173 K CA 0.008 55.835 56.287 -0.767 0.000 0.934 1173 K CB -0.055 32.007 32.500 -0.731 0.000 1.093 1173 K HN 0.504 nan 8.250 nan 0.000 0.459 1174 S N 3.849 119.386 115.700 -0.270 0.000 2.505 1174 S HA 0.235 4.705 4.470 0.000 0.000 0.216 1174 S C 0.198 174.721 174.600 -0.128 0.000 1.018 1174 S CA -0.186 57.926 58.200 -0.147 0.000 0.911 1174 S CB 0.258 63.398 63.200 -0.099 0.000 0.818 1174 S HN 0.528 nan 8.310 nan 0.000 0.497 1175 I N 2.154 122.631 120.570 -0.155 0.000 2.466 1175 I HA 0.346 4.516 4.170 0.000 0.000 0.289 1175 I C -0.836 175.215 176.117 -0.111 0.000 1.026 1175 I CA -0.650 60.586 61.300 -0.107 0.000 1.078 1175 I CB 1.706 39.660 38.000 -0.076 0.000 1.249 1175 I HN -0.060 nan 8.210 nan 0.000 0.429 1176 N N 5.522 124.174 118.700 -0.079 0.000 2.513 1176 N HA 0.541 5.281 4.740 0.000 0.000 0.274 1176 N C 1.089 176.579 175.510 -0.033 0.000 1.189 1176 N CA -0.004 53.009 53.050 -0.061 0.000 0.975 1176 N CB 1.472 39.928 38.487 -0.052 0.000 1.157 1176 N HN 0.727 nan 8.380 nan 0.000 0.465 1177 I N -1.471 119.093 120.570 -0.010 0.000 4.407 1177 I HA -0.437 3.733 4.170 0.000 0.000 0.066 1177 I C 0.243 176.369 176.117 0.016 0.000 0.591 1177 I CA 1.497 62.805 61.300 0.013 0.000 1.050 1177 I CB -0.901 37.102 38.000 0.006 0.000 0.939 1177 I HN 0.485 nan 8.210 nan 0.000 0.169 1178 K N 1.964 122.364 120.400 0.000 0.000 2.355 1178 K HA 0.142 4.462 4.320 0.000 0.000 0.270 1178 K C 1.378 177.989 176.600 0.018 0.000 1.003 1178 K CA 0.740 57.030 56.287 0.005 0.000 0.957 1178 K CB 0.497 32.993 32.500 -0.006 0.000 0.939 1178 K HN 0.525 nan 8.250 nan 0.000 0.482 1179 T N -1.415 113.155 114.554 0.027 0.000 2.977 1179 T HA -0.141 4.209 4.350 0.000 0.000 0.271 1179 T C 1.046 175.785 174.700 0.065 0.000 1.105 1179 T CA 1.103 63.231 62.100 0.048 0.000 1.116 1179 T CB -0.274 68.615 68.868 0.034 0.000 0.878 1179 T HN 0.753 nan 8.240 nan 0.000 0.509 1180 E N 0.989 121.213 120.200 0.040 0.000 2.335 1180 E HA 0.573 4.923 4.350 0.000 0.000 0.191 1180 E C 1.866 178.485 176.600 0.032 0.000 1.077 1180 E CA 0.108 56.534 56.400 0.043 0.000 1.010 1180 E CB -0.143 29.566 29.700 0.015 0.000 1.141 1180 E HN 0.491 nan 8.360 nan 0.000 0.452 1181 A N 1.266 124.099 122.820 0.022 0.000 1.927 1181 A HA -0.146 4.175 4.320 0.000 0.000 0.220 1181 A C 0.509 177.942 177.584 -0.251 0.000 1.185 1181 A CA 0.897 52.860 52.037 -0.124 0.000 0.639 1181 A CB -0.595 18.296 19.000 -0.181 0.000 0.820 1181 A HN 0.361 nan 8.150 nan 0.000 0.451 1182 F N -0.459 119.492 119.950 0.003 0.000 2.420 1182 F HA 0.582 5.109 4.527 0.000 0.000 0.352 1182 F C 0.407 176.203 175.800 -0.007 0.000 1.108 1182 F CA -0.107 57.894 58.000 0.001 0.000 1.162 1182 F CB 1.217 40.222 39.000 0.007 0.000 1.118 1182 F HN -0.085 nan 8.300 nan 0.000 0.510 1183 K N 1.199 121.663 120.400 0.107 0.000 2.477 1183 K HA 0.612 4.932 4.320 0.000 0.000 0.255 1183 K C -1.117 175.507 176.600 0.039 0.000 0.952 1183 K CA -0.829 55.487 56.287 0.048 0.000 0.826 1183 K CB 2.258 34.749 32.500 -0.015 0.000 1.331 1183 K HN 0.424 nan 8.250 nan 0.000 0.437 1184 S N 0.921 116.628 115.700 0.012 0.000 2.521 1184 S HA 0.616 5.086 4.470 0.000 0.000 0.295 1184 S C 0.363 174.885 174.600 -0.131 0.000 1.098 1184 S CA -0.184 58.008 58.200 -0.014 0.000 0.999 1184 S CB 1.420 64.660 63.200 0.067 0.000 1.034 1184 S HN 0.644 nan 8.310 nan 0.000 0.483 1185 A N 3.423 126.050 122.820 -0.321 0.000 2.125 1185 A HA 0.035 4.355 4.320 0.000 0.000 0.219 1185 A C 0.973 178.087 177.584 -0.782 0.000 1.156 1185 A CA 0.831 52.494 52.037 -0.623 0.000 0.671 1185 A CB -0.573 17.894 19.000 -0.888 0.000 0.794 1185 A HN 0.941 nan 8.150 nan 0.000 0.459 1186 W N -0.874 120.447 121.300 0.034 0.000 3.220 1186 W HA 0.444 5.104 4.660 0.000 0.000 0.328 1186 W C 1.180 177.723 176.519 0.040 0.000 1.205 1186 W CA 0.360 57.728 57.345 0.038 0.000 1.773 1186 W CB 0.083 29.567 29.460 0.040 0.000 1.086 1186 W HN 0.581 nan 8.180 nan 0.000 0.622 1187 G N 0.954 109.825 108.800 0.119 0.000 2.756 1187 G HA2 -0.173 3.787 3.960 0.000 0.000 0.678 1187 G HA3 -0.173 3.787 3.960 0.000 0.000 0.678 1187 G C -2.862 172.104 174.900 0.109 0.000 1.349 1187 G CA -1.501 43.654 45.100 0.091 0.000 0.847 1187 G HN -0.185 nan 8.290 nan 0.000 0.548 1188 P HA 0.465 nan 4.420 nan 0.000 0.276 1188 P C 1.198 178.571 177.300 0.123 0.000 1.244 1188 P CA -0.657 62.488 63.100 0.076 0.000 0.801 1188 P CB 0.594 32.312 31.700 0.031 0.000 1.006 1189 L N -0.177 121.125 121.223 0.131 0.000 2.209 1189 L HA 0.248 4.588 4.340 0.000 0.000 0.207 1189 L C 1.344 178.341 176.870 0.211 0.000 1.094 1189 L CA 1.139 56.112 54.840 0.223 0.000 0.790 1189 L CB -0.476 41.774 42.059 0.319 0.000 0.932 1189 L HN 0.597 nan 8.230 nan 0.000 0.447 1190 G N -1.496 107.320 108.800 0.026 0.000 2.570 1190 G HA2 0.536 4.496 3.960 0.000 0.000 0.310 1190 G HA3 0.536 4.496 3.960 0.000 0.000 0.310 1190 G C -1.465 173.426 174.900 -0.016 0.000 1.266 1190 G CA -0.603 44.518 45.100 0.035 0.000 0.825 1190 G HN -0.185 nan 8.290 nan 0.000 0.483 1191 M N -0.277 119.331 119.600 0.014 0.000 2.575 1191 M HA 0.562 5.042 4.480 0.000 0.000 0.284 1191 M C -1.291 175.042 176.300 0.055 0.000 1.253 1191 M CA -0.887 54.435 55.300 0.038 0.000 0.861 1191 M CB 2.879 35.535 32.600 0.093 0.000 1.733 1191 M HN 0.292 nan 8.290 nan 0.000 0.462 1192 V N 2.144 122.090 119.914 0.054 0.000 2.407 1192 V HA 0.629 4.749 4.120 0.000 0.000 0.291 1192 V C -0.849 175.329 176.094 0.140 0.000 1.018 1192 V CA -0.732 61.615 62.300 0.078 0.000 0.842 1192 V CB 1.528 33.359 31.823 0.015 0.000 0.996 1192 V HN 0.620 nan 8.190 nan 0.000 0.426 1193 V N 3.038 123.096 119.914 0.241 0.000 2.577 1193 V HA 0.473 4.593 4.120 0.000 0.000 0.303 1193 V C 0.214 176.434 176.094 0.211 0.000 1.042 1193 V CA -0.783 61.639 62.300 0.202 0.000 0.872 1193 V CB 1.476 33.397 31.823 0.163 0.000 0.998 1193 V HN 1.018 nan 8.190 nan 0.000 0.423 1194 E N 3.383 123.680 120.200 0.162 0.000 2.210 1194 E HA -0.285 4.065 4.350 0.000 0.000 0.201 1194 E C 1.293 178.015 176.600 0.203 0.000 1.339 1194 E CA 0.617 57.115 56.400 0.165 0.000 0.699 1194 E CB -1.135 28.634 29.700 0.115 0.000 1.126 1194 E HN 1.561 nan 8.360 nan 0.000 0.355 1195 G N 0.190 109.143 108.800 0.254 0.000 2.189 1195 G HA2 -0.391 3.569 3.960 0.000 0.000 0.267 1195 G HA3 -0.391 3.569 3.960 0.000 0.000 0.267 1195 G C 0.163 175.079 174.900 0.027 0.000 0.975 1195 G CA 1.070 46.249 45.100 0.133 0.000 0.644 1195 G HN 0.334 nan 8.290 nan 0.000 0.537 1196 K N 0.704 121.125 120.400 0.036 0.000 2.182 1196 K HA 0.602 4.922 4.320 0.000 0.000 0.262 1196 K C -0.313 176.154 176.600 -0.223 0.000 0.957 1196 K CA -0.437 55.780 56.287 -0.117 0.000 0.842 1196 K CB 1.761 34.174 32.500 -0.145 0.000 1.099 1196 K HN 0.089 nan 8.250 nan 0.000 0.438 1197 S N 2.016 117.516 115.700 -0.334 0.000 2.480 1197 S HA 0.368 4.838 4.470 0.000 0.000 0.286 1197 S C -1.100 173.147 174.600 -0.588 0.000 1.180 1197 S CA -0.593 57.404 58.200 -0.339 0.000 1.075 1197 S CB 0.206 63.310 63.200 -0.159 0.000 0.996 1197 S HN 0.334 nan 8.310 nan 0.000 0.487 1198 Y N 0.866 120.985 120.300 -0.300 0.000 2.326 1198 Y HA 0.401 4.951 4.550 0.000 0.000 0.331 1198 Y C -0.767 174.824 175.900 -0.515 0.000 0.962 1198 Y CA -0.871 57.057 58.100 -0.287 0.000 1.167 1198 Y CB 0.921 39.332 38.460 -0.081 0.000 1.148 1198 Y HN 0.653 nan 8.280 nan 0.000 0.463 1199 W N 3.581 124.740 121.300 -0.236 0.000 2.417 1199 W HA 0.492 5.152 4.660 0.000 0.000 0.317 1199 W C -0.301 175.929 176.519 -0.482 0.000 1.121 1199 W CA -0.422 56.802 57.345 -0.202 0.000 1.208 1199 W CB 0.661 30.050 29.460 -0.117 0.000 1.253 1199 W HN 0.529 nan 8.180 nan 0.000 0.533 1200 F N 0.783 120.892 119.950 0.265 0.000 2.834 1200 F HA 0.343 4.870 4.527 0.000 0.000 0.332 1200 F C 0.752 176.655 175.800 0.171 0.000 1.056 1200 F CA -0.241 57.865 58.000 0.176 0.000 1.178 1200 F CB 0.325 39.389 39.000 0.107 0.000 1.037 1200 F HN 0.017 nan 8.300 nan 0.000 0.580 1201 R N 0.340 121.061 120.500 0.369 0.000 2.740 1201 R HA 0.708 5.048 4.340 0.000 0.000 0.273 1201 R C -1.672 174.778 176.300 0.251 0.000 0.998 1201 R CA -0.497 55.762 56.100 0.265 0.000 0.900 1201 R CB 1.843 32.287 30.300 0.240 0.000 1.223 1201 R HN -0.066 nan 8.270 nan 0.000 0.466 1202 L N 2.338 123.649 121.223 0.146 0.000 2.354 1202 L HA 0.669 5.009 4.340 0.000 0.000 0.269 1202 L C -1.951 174.960 176.870 0.069 0.000 1.005 1202 L CA -2.109 52.780 54.840 0.081 0.000 0.819 1202 L CB 2.044 44.114 42.059 0.018 0.000 1.311 1202 L HN 0.458 nan 8.230 nan 0.000 0.423 1203 P HA 0.181 nan 4.420 nan 0.000 0.271 1203 P C -0.216 177.121 177.300 0.061 0.000 1.216 1203 P CA -0.179 62.950 63.100 0.048 0.000 0.776 1203 P CB 1.227 32.915 31.700 -0.019 0.000 0.881 1204 A N 2.551 125.387 122.820 0.027 0.000 2.140 1204 A HA 0.076 4.396 4.320 0.000 0.000 0.209 1204 A C 0.726 178.307 177.584 -0.006 0.000 1.181 1204 A CA 0.622 52.654 52.037 -0.008 0.000 0.824 1204 A CB -0.054 18.907 19.000 -0.065 0.000 0.879 1204 A HN 0.329 nan 8.150 nan 0.000 0.480 1205 K N 1.033 121.456 120.400 0.037 0.000 2.098 1205 K HA 0.358 4.678 4.320 0.000 0.000 0.257 1205 K C -0.334 176.283 176.600 0.028 0.000 0.999 1205 K CA -0.458 55.845 56.287 0.026 0.000 0.924 1205 K CB 0.648 33.197 32.500 0.083 0.000 1.028 1205 K HN 0.298 nan 8.250 nan 0.000 0.466 1206 R N 2.400 122.766 120.500 -0.223 0.000 2.537 1206 R HA 0.079 4.419 4.340 0.000 0.000 0.280 1206 R C 0.484 176.683 176.300 -0.169 0.000 1.058 1206 R CA 0.283 56.120 56.100 -0.437 0.000 1.057 1206 R CB 0.220 29.948 30.300 -0.955 0.000 0.973 1206 R HN 0.775 nan 8.270 nan 0.000 0.438 1207 H N -0.915 118.126 119.070 -0.049 0.000 2.948 1207 H HA 0.138 4.694 4.556 0.000 0.000 0.315 1207 H C 0.494 175.852 175.328 0.050 0.000 1.360 1207 H CA -0.271 55.819 56.048 0.071 0.000 1.125 1207 H CB 0.424 30.230 29.762 0.074 0.000 1.844 1207 H HN 0.677 nan 8.280 nan 0.000 0.529 1208 T N -0.643 114.040 114.554 0.215 0.000 2.480 1208 T HA -0.414 3.936 4.350 0.000 0.000 0.106 1208 T C 1.986 176.705 174.700 0.033 0.000 1.782 1208 T CA 3.917 66.090 62.100 0.120 0.000 0.802 1208 T CB -2.255 66.710 68.868 0.161 0.000 0.843 1208 T HN 1.057 nan 8.240 nan 0.000 0.407 1209 V N 2.326 122.244 119.914 0.007 0.000 2.324 1209 V HA -0.181 3.939 4.120 0.000 0.000 0.250 1209 V C 2.033 178.078 176.094 -0.081 0.000 1.060 1209 V CA 2.429 64.706 62.300 -0.038 0.000 1.042 1209 V CB -1.550 30.251 31.823 -0.037 0.000 0.650 1209 V HN 1.036 nan 8.190 nan 0.000 0.450 1210 N N 0.438 119.044 118.700 -0.157 0.000 2.295 1210 N HA 0.118 4.858 4.740 0.000 0.000 0.221 1210 N C 0.317 175.746 175.510 -0.135 0.000 1.129 1210 N CA 0.523 53.473 53.050 -0.167 0.000 0.836 1210 N CB 0.135 38.486 38.487 -0.226 0.000 1.040 1210 N HN 0.526 nan 8.380 nan 0.000 0.494 1211 S N 0.515 116.190 115.700 -0.042 0.000 2.562 1211 S HA 0.085 4.555 4.470 0.000 0.000 0.275 1211 S C 1.028 175.611 174.600 -0.028 0.000 1.281 1211 S CA -0.667 57.599 58.200 0.109 0.000 1.045 1211 S CB 0.810 64.144 63.200 0.224 0.000 0.962 1211 S HN 0.467 nan 8.310 nan 0.000 0.503 1212 E N 3.319 123.412 120.200 -0.179 0.000 2.502 1212 E HA 0.071 4.421 4.350 0.000 0.000 0.194 1212 E C -0.617 175.671 176.600 -0.521 0.000 1.062 1212 E CA 0.143 56.306 56.400 -0.394 0.000 0.867 1212 E CB -0.064 29.339 29.700 -0.495 0.000 0.888 1212 E HN 0.578 nan 8.360 nan 0.000 0.510 1213 F N 1.079 121.008 119.950 -0.036 0.000 2.483 1213 F HA 0.481 5.008 4.527 0.000 0.000 0.329 1213 F C 0.056 175.809 175.800 -0.077 0.000 1.064 1213 F CA -1.240 56.707 58.000 -0.089 0.000 0.986 1213 F CB 1.470 40.369 39.000 -0.167 0.000 1.218 1213 F HN -0.169 nan 8.300 nan 0.000 0.484 1214 D N 1.336 121.807 120.400 0.118 0.000 2.891 1214 D HA 0.170 4.810 4.640 0.000 0.000 0.224 1214 D C 0.214 176.521 176.300 0.011 0.000 1.321 1214 D CA -0.444 53.575 54.000 0.033 0.000 0.929 1214 D CB 1.649 42.460 40.800 0.019 0.000 1.551 1214 D HN 0.404 nan 8.370 nan 0.000 0.574 1215 I N 3.811 124.362 120.570 -0.031 0.000 2.423 1215 I HA -0.152 4.018 4.170 0.000 0.000 0.254 1215 I C 1.798 177.923 176.117 0.014 0.000 1.151 1215 I CA 1.616 62.902 61.300 -0.024 0.000 1.421 1215 I CB 0.059 38.029 38.000 -0.050 0.000 1.079 1215 I HN 0.403 nan 8.210 nan 0.000 0.431 1216 K N -0.402 120.005 120.400 0.011 0.000 2.283 1216 K HA -0.122 4.198 4.320 0.000 0.000 0.202 1216 K C 1.689 178.301 176.600 0.020 0.000 1.048 1216 K CA 1.085 57.382 56.287 0.016 0.000 0.948 1216 K CB -0.098 32.408 32.500 0.010 0.000 0.742 1216 K HN 0.487 nan 8.250 nan 0.000 0.458 1217 Q N 0.041 119.855 119.800 0.023 0.000 2.282 1217 Q HA 0.210 4.550 4.340 0.000 0.000 0.206 1217 Q C -0.155 175.865 176.000 0.034 0.000 0.878 1217 Q CA -0.011 55.808 55.803 0.027 0.000 0.944 1217 Q CB 0.678 29.433 28.738 0.028 0.000 1.100 1217 Q HN 0.187 nan 8.270 nan 0.000 0.509 1218 I N 1.138 121.730 120.570 0.038 0.000 2.312 1218 I HA 0.066 4.236 4.170 0.000 0.000 0.290 1218 I C 0.743 176.887 176.117 0.046 0.000 1.008 1218 I CA -0.149 61.178 61.300 0.044 0.000 1.226 1218 I CB 1.561 39.593 38.000 0.054 0.000 1.371 1218 I HN 0.113 nan 8.210 nan 0.000 0.468 1219 S N 2.761 118.483 115.700 0.036 0.000 2.499 1219 S HA 0.169 4.639 4.470 0.000 0.000 0.225 1219 S C 0.595 175.211 174.600 0.027 0.000 1.050 1219 S CA -0.073 58.145 58.200 0.031 0.000 0.928 1219 S CB 0.218 63.432 63.200 0.023 0.000 0.803 1219 S HN 0.619 nan 8.310 nan 0.000 0.506 1220 S N 0.945 116.660 115.700 0.024 0.000 2.556 1220 S HA 0.746 5.216 4.470 0.000 0.000 0.271 1220 S C -1.384 173.222 174.600 0.011 0.000 1.135 1220 S CA -0.935 57.274 58.200 0.014 0.000 0.858 1220 S CB 1.534 64.739 63.200 0.008 0.000 1.114 1220 S HN 0.116 nan 8.310 nan 0.000 0.468 1221 L N 2.765 123.987 121.223 -0.002 0.000 2.322 1221 L HA 0.642 4.982 4.340 0.000 0.000 0.281 1221 L C -2.094 174.766 176.870 -0.017 0.000 1.014 1221 L CA -1.789 53.044 54.840 -0.012 0.000 0.815 1221 L CB 1.140 43.179 42.059 -0.033 0.000 1.247 1221 L HN 0.677 nan 8.230 nan 0.000 0.421 1222 P HA 0.067 nan 4.420 nan 0.000 0.271 1222 P C -0.659 176.634 177.300 -0.011 0.000 1.218 1222 P CA -0.479 62.616 63.100 -0.009 0.000 0.780 1222 P CB 0.884 32.582 31.700 -0.004 0.000 0.901 1223 Q N 1.329 121.125 119.800 -0.007 0.000 2.286 1223 Q HA 0.314 4.654 4.340 0.000 0.000 0.267 1223 Q C -1.238 174.763 176.000 0.001 0.000 1.028 1223 Q CA -0.232 55.567 55.803 -0.007 0.000 0.901 1223 Q CB 0.377 29.112 28.738 -0.005 0.000 1.183 1223 Q HN 0.221 nan 8.270 nan 0.000 0.392 1224 V N 4.968 124.883 119.914 0.002 0.000 2.638 1224 V HA 0.420 4.540 4.120 0.000 0.000 0.306 1224 V C -0.602 175.500 176.094 0.013 0.000 1.052 1224 V CA -0.808 61.501 62.300 0.015 0.000 0.885 1224 V CB 2.056 33.896 31.823 0.028 0.000 0.999 1224 V HN 0.867 nan 8.190 nan 0.000 0.424 1225 D N 3.241 123.648 120.400 0.012 0.000 2.450 1225 D HA 0.670 5.310 4.640 0.000 0.000 0.238 1225 D C -0.878 175.425 176.300 0.005 0.000 1.020 1225 D CA -0.345 53.656 54.000 0.003 0.000 1.010 1225 D CB 3.062 43.855 40.800 -0.012 0.000 1.342 1225 D HN 0.316 nan 8.370 nan 0.000 0.530 1226 I N 0.747 121.314 120.570 -0.005 0.000 2.465 1226 I HA 0.501 4.671 4.170 0.000 0.000 0.291 1226 I C -0.402 175.685 176.117 -0.051 0.000 1.014 1226 I CA -0.799 60.501 61.300 0.000 0.000 1.093 1226 I CB 1.986 40.011 38.000 0.041 0.000 1.267 1226 I HN 0.247 nan 8.210 nan 0.000 0.431 1227 A N 5.432 128.180 122.820 -0.119 0.000 2.318 1227 A HA 0.615 4.935 4.320 0.000 0.000 0.324 1227 A C -1.439 176.123 177.584 -0.037 0.000 1.170 1227 A CA -0.389 51.474 52.037 -0.290 0.000 0.810 1227 A CB 0.803 19.150 19.000 -1.088 0.000 1.198 1227 A HN 0.601 nan 8.150 nan 0.000 0.484 1228 Y N 1.689 121.962 120.300 -0.045 0.000 2.310 1228 Y HA 0.512 5.062 4.550 0.000 0.000 0.326 1228 Y C 0.721 176.803 175.900 0.302 0.000 1.151 1228 Y CA 0.210 58.387 58.100 0.129 0.000 1.195 1228 Y CB 1.466 39.998 38.460 0.120 0.000 1.210 1228 Y HN 0.622 nan 8.280 nan 0.000 0.483 1229 S N 5.362 121.029 115.700 -0.055 0.000 2.501 1229 S HA 0.785 5.255 4.470 0.000 0.000 0.301 1229 S C -1.558 173.112 174.600 0.116 0.000 1.096 1229 S CA -0.239 57.990 58.200 0.048 0.000 1.063 1229 S CB 0.382 63.641 63.200 0.099 0.000 1.042 1229 S HN 0.637 nan 8.310 nan 0.000 0.494 1230 Y N 0.023 120.353 120.300 0.051 0.000 2.914 1230 Y HA 0.677 5.227 4.550 0.000 0.000 0.327 1230 Y C 0.080 176.024 175.900 0.074 0.000 1.440 1230 Y CA -1.242 56.899 58.100 0.068 0.000 1.086 1230 Y CB -0.054 38.453 38.460 0.079 0.000 1.544 1230 Y HN 0.691 nan 8.280 nan 0.000 0.442 1231 G N 1.078 110.020 108.800 0.237 0.000 2.340 1231 G HA2 0.288 4.248 3.960 0.000 0.000 0.245 1231 G HA3 0.288 4.248 3.960 0.000 0.000 0.245 1231 G C 0.031 174.984 174.900 0.088 0.000 1.294 1231 G CA 0.620 45.795 45.100 0.124 0.000 0.896 1231 G HN 1.103 nan 8.290 nan 0.000 0.522 1232 N N -0.697 118.004 118.700 0.002 0.000 2.741 1232 N HA -0.221 4.519 4.740 0.000 0.000 0.250 1232 N C 0.245 175.695 175.510 -0.101 0.000 1.115 1232 N CA 0.915 53.959 53.050 -0.010 0.000 0.724 1232 N CB -1.152 37.371 38.487 0.060 0.000 1.090 1232 N HN 0.615 nan 8.380 nan 0.000 0.558 1233 V N 0.543 120.273 119.914 -0.306 0.000 2.811 1233 V HA 0.512 4.632 4.120 0.000 0.000 0.302 1233 V C 1.050 177.052 176.094 -0.154 0.000 1.063 1233 V CA 0.791 62.818 62.300 -0.455 0.000 1.088 1233 V CB 1.060 32.475 31.823 -0.679 0.000 0.982 1233 V HN 0.419 nan 8.190 nan 0.000 0.485 1234 T N 1.907 116.429 114.554 -0.054 0.000 2.938 1234 T HA 0.433 4.783 4.350 0.000 0.000 0.285 1234 T C 0.406 175.149 174.700 0.072 0.000 1.028 1234 T CA -0.001 62.100 62.100 0.002 0.000 1.005 1234 T CB 1.428 70.314 68.868 0.029 0.000 1.157 1234 T HN 0.744 nan 8.240 nan 0.000 0.550 1235 D N -0.815 119.612 120.400 0.045 0.000 2.349 1235 D HA 0.049 4.689 4.640 0.000 0.000 0.224 1235 D C 1.497 177.918 176.300 0.201 0.000 1.029 1235 D CA 0.161 54.217 54.000 0.093 0.000 0.879 1235 D CB -0.833 39.947 40.800 -0.033 0.000 0.906 1235 D HN 0.511 nan 8.370 nan 0.000 0.528 1236 T N 0.632 115.274 114.554 0.146 0.000 2.565 1236 T HA -0.269 4.081 4.350 0.000 0.000 0.265 1236 T C 2.073 176.840 174.700 0.112 0.000 1.082 1236 T CA 2.590 64.757 62.100 0.111 0.000 1.173 1236 T CB -0.687 68.233 68.868 0.086 0.000 0.864 1236 T HN 0.444 nan 8.240 nan 0.000 0.425 1237 A N -0.020 122.862 122.820 0.102 0.000 1.972 1237 A HA -0.060 4.260 4.320 0.000 0.000 0.219 1237 A C 2.064 179.632 177.584 -0.026 0.000 1.169 1237 A CA 1.435 53.476 52.037 0.006 0.000 0.635 1237 A CB -0.988 17.976 19.000 -0.061 0.000 0.810 1237 A HN 0.631 nan 8.150 nan 0.000 0.446 1238 Y N 0.269 120.580 120.300 0.019 0.000 2.145 1238 Y HA -0.186 4.364 4.550 0.000 0.000 0.286 1238 Y C 2.491 178.386 175.900 -0.008 0.000 1.145 1238 Y CA 1.982 60.080 58.100 -0.003 0.000 1.148 1238 Y CB -0.221 38.220 38.460 -0.032 0.000 0.981 1238 Y HN 0.209 nan 8.280 nan 0.000 0.507 1239 K N -0.198 120.303 120.400 0.169 0.000 2.025 1239 K HA -0.118 4.202 4.320 0.000 0.000 0.207 1239 K C 2.434 179.069 176.600 0.057 0.000 1.049 1239 K CA 0.996 57.336 56.287 0.088 0.000 0.933 1239 K CB -0.450 32.091 32.500 0.069 0.000 0.714 1239 K HN 0.264 nan 8.250 nan 0.000 0.438 1240 A N 1.561 124.412 122.820 0.050 0.000 1.892 1240 A HA -0.195 4.125 4.320 0.000 0.000 0.218 1240 A C 2.063 179.658 177.584 0.017 0.000 1.188 1240 A CA 1.449 53.503 52.037 0.028 0.000 0.631 1240 A CB -0.581 18.432 19.000 0.023 0.000 0.822 1240 A HN 0.107 nan 8.150 nan 0.000 0.447 1241 L N -0.591 120.638 121.223 0.010 0.000 2.046 1241 L HA -0.112 4.228 4.340 0.000 0.000 0.208 1241 L C 2.968 179.845 176.870 0.011 0.000 1.077 1241 L CA 1.890 56.730 54.840 -0.000 0.000 0.747 1241 L CB -1.337 40.708 42.059 -0.023 0.000 0.896 1241 L HN 0.431 nan 8.230 nan 0.000 0.432 1242 A N -1.354 121.481 122.820 0.025 0.000 1.930 1242 A HA -0.220 4.100 4.320 0.000 0.000 0.217 1242 A C 2.172 179.768 177.584 0.021 0.000 1.175 1242 A CA 1.298 53.351 52.037 0.026 0.000 0.627 1242 A CB -0.415 18.607 19.000 0.037 0.000 0.815 1242 A HN 0.527 nan 8.150 nan 0.000 0.443 1243 Q N -0.607 119.206 119.800 0.022 0.000 2.291 1243 Q HA -0.082 4.258 4.340 0.000 0.000 0.205 1243 Q C 0.627 176.634 176.000 0.012 0.000 0.970 1243 Q CA 1.242 57.055 55.803 0.017 0.000 0.876 1243 Q CB -0.124 28.625 28.738 0.018 0.000 0.935 1243 Q HN 0.706 nan 8.270 nan 0.000 0.455 1244 N N -1.129 117.577 118.700 0.010 0.000 2.276 1244 N HA 0.148 4.888 4.740 0.000 0.000 0.212 1244 N C 0.217 175.729 175.510 0.004 0.000 1.127 1244 N CA 0.520 53.574 53.050 0.006 0.000 0.834 1244 N CB 1.302 39.791 38.487 0.003 0.000 1.014 1244 N HN 0.294 nan 8.380 nan 0.000 0.491 1245 G N -0.839 107.965 108.800 0.007 0.000 2.211 1245 G HA2 -0.195 3.765 3.960 0.000 0.000 0.201 1245 G HA3 -0.195 3.765 3.960 0.000 0.000 0.201 1245 G C 0.242 175.146 174.900 0.006 0.000 0.997 1245 G CA -0.248 44.855 45.100 0.006 0.000 0.652 1245 G HN 0.471 nan 8.290 nan 0.000 0.500 1246 A N 0.864 123.688 122.820 0.008 0.000 2.515 1246 A HA 0.543 4.863 4.320 0.000 0.000 0.263 1246 A C 1.456 179.048 177.584 0.013 0.000 1.096 1246 A CA 0.929 52.972 52.037 0.009 0.000 0.769 1246 A CB 0.310 19.316 19.000 0.009 0.000 1.040 1246 A HN 0.189 nan 8.150 nan 0.000 0.505 1247 K N 1.139 121.547 120.400 0.013 0.000 2.365 1247 K HA 0.233 4.553 4.320 0.000 0.000 0.197 1247 K C 0.519 177.131 176.600 0.020 0.000 1.042 1247 K CA 1.246 57.543 56.287 0.016 0.000 0.987 1247 K CB 0.022 32.530 32.500 0.015 0.000 0.779 1247 K HN 0.847 nan 8.250 nan 0.000 0.484 1248 A N 0.757 123.589 122.820 0.020 0.000 2.547 1248 A HA 0.657 4.977 4.320 0.000 0.000 0.297 1248 A C -1.389 176.207 177.584 0.021 0.000 1.056 1248 A CA -0.699 51.351 52.037 0.022 0.000 0.688 1248 A CB 1.215 20.238 19.000 0.039 0.000 1.282 1248 A HN 0.088 nan 8.150 nan 0.000 0.400 1249 L N 2.824 124.054 121.223 0.013 0.000 2.333 1249 L HA 0.483 4.823 4.340 0.000 0.000 0.280 1249 L C -0.869 176.021 176.870 0.033 0.000 1.004 1249 L CA -0.827 54.028 54.840 0.024 0.000 0.820 1249 L CB 1.722 43.808 42.059 0.046 0.000 1.247 1249 L HN 0.519 nan 8.230 nan 0.000 0.416 1250 I N 2.672 123.273 120.570 0.051 0.000 2.301 1250 I HA 0.118 4.288 4.170 0.000 0.000 0.292 1250 I C 0.107 176.288 176.117 0.108 0.000 1.046 1250 I CA -0.371 60.972 61.300 0.071 0.000 1.282 1250 I CB 0.564 38.614 38.000 0.084 0.000 1.409 1250 I HN 0.532 nan 8.210 nan 0.000 0.484 1251 H N 6.548 125.630 119.070 0.019 0.000 2.846 1251 H HA 0.494 5.050 4.556 0.000 0.000 0.278 1251 H C 0.004 175.362 175.328 0.050 0.000 1.117 1251 H CA -0.539 55.553 56.048 0.073 0.000 1.406 1251 H CB 0.846 30.621 29.762 0.022 0.000 1.445 1251 H HN 0.636 nan 8.280 nan 0.000 0.469 1252 A N 5.264 127.952 122.820 -0.220 0.000 3.078 1252 A HA 0.422 4.742 4.320 0.000 0.000 0.279 1252 A C 1.062 178.344 177.584 -0.503 0.000 1.594 1252 A CA -0.004 51.900 52.037 -0.221 0.000 1.301 1252 A CB -0.871 18.179 19.000 0.084 0.000 1.162 1252 A HN 0.884 nan 8.150 nan 0.000 0.585 1253 G N 0.786 109.075 108.800 -0.852 0.000 2.616 1253 G HA2 0.435 4.395 3.960 0.000 0.000 0.268 1253 G HA3 0.435 4.395 3.960 0.000 0.000 0.268 1253 G C 0.503 175.036 174.900 -0.613 0.000 1.213 1253 G CA 0.331 45.005 45.100 -0.710 0.000 0.926 1253 G HN 0.779 nan 8.290 nan 0.000 0.523 1254 T N -1.845 112.456 114.554 -0.421 0.000 2.904 1254 T HA 0.535 4.885 4.350 0.000 0.000 0.290 1254 T C 1.352 175.881 174.700 -0.285 0.000 1.018 1254 T CA 0.597 62.414 62.100 -0.471 0.000 1.075 1254 T CB 0.939 69.737 68.868 -0.116 0.000 0.986 1254 T HN 2.210 nan 8.240 nan 0.000 0.523 1255 G N 2.302 110.955 108.800 -0.245 0.000 2.614 1255 G HA2 -0.348 3.612 3.960 0.000 0.000 0.303 1255 G HA3 -0.348 3.612 3.960 0.000 0.000 0.303 1255 G C 0.438 175.271 174.900 -0.112 0.000 1.270 1255 G CA 0.277 45.299 45.100 -0.131 0.000 0.988 1255 G HN 1.009 nan 8.290 nan 0.000 0.551 1256 N N 2.975 121.641 118.700 -0.056 0.000 3.210 1256 N HA 0.271 5.011 4.740 0.000 0.000 0.314 1256 N C 1.508 177.028 175.510 0.018 0.000 1.291 1256 N CA 1.487 54.525 53.050 -0.020 0.000 1.202 1256 N CB -1.132 37.349 38.487 -0.010 0.000 1.475 1256 N HN 1.858 nan 8.380 nan 0.000 0.554 1257 G N 0.818 109.608 108.800 -0.018 0.000 2.225 1257 G HA2 -0.277 3.683 3.960 0.000 0.000 0.267 1257 G HA3 -0.277 3.683 3.960 0.000 0.000 0.267 1257 G C 0.106 175.090 174.900 0.140 0.000 1.024 1257 G CA 0.381 45.500 45.100 0.032 0.000 0.784 1257 G HN 0.438 nan 8.290 nan 0.000 0.507 1258 S N -1.404 114.345 115.700 0.083 0.000 2.573 1258 S HA 0.463 4.933 4.470 0.000 0.000 0.277 1258 S C 0.521 175.250 174.600 0.215 0.000 1.346 1258 S CA 0.027 58.294 58.200 0.112 0.000 1.034 1258 S CB 2.092 65.318 63.200 0.043 0.000 0.879 1258 S HN 0.807 nan 8.310 nan 0.000 0.528 1259 V N 1.978 121.957 119.914 0.107 0.000 2.531 1259 V HA 0.390 4.510 4.120 0.000 0.000 0.301 1259 V C 0.323 176.405 176.094 -0.020 0.000 1.034 1259 V CA -0.886 61.408 62.300 -0.010 0.000 0.865 1259 V CB 1.785 33.507 31.823 -0.168 0.000 0.995 1259 V HN 0.912 nan 8.190 nan 0.000 0.424 1260 S N 2.947 118.621 115.700 -0.043 0.000 2.549 1260 S HA 0.028 4.498 4.470 0.000 0.000 0.286 1260 S C 1.691 176.259 174.600 -0.054 0.000 1.314 1260 S CA 0.222 58.395 58.200 -0.045 0.000 1.062 1260 S CB 0.852 64.013 63.200 -0.064 0.000 0.865 1260 S HN 1.250 nan 8.310 nan 0.000 0.498 1261 S N 4.891 120.573 115.700 -0.031 0.000 2.440 1261 S HA -0.166 4.304 4.470 0.000 0.000 0.240 1261 S C 1.583 176.161 174.600 -0.037 0.000 1.014 1261 S CA 1.063 59.248 58.200 -0.025 0.000 0.980 1261 S CB -0.340 62.850 63.200 -0.016 0.000 0.775 1261 S HN 0.839 nan 8.310 nan 0.000 0.499 1262 R N 0.103 120.572 120.500 -0.051 0.000 2.200 1262 R HA 0.205 4.545 4.340 0.000 0.000 0.208 1262 R C 1.594 177.840 176.300 -0.089 0.000 1.033 1262 R CA 0.910 56.976 56.100 -0.057 0.000 1.000 1262 R CB -0.116 30.155 30.300 -0.049 0.000 0.906 1262 R HN 0.396 nan 8.270 nan 0.000 0.462 1263 V N -0.057 119.772 119.914 -0.141 0.000 3.590 1263 V HA -0.037 4.083 4.120 0.000 0.000 0.265 1263 V C 2.000 177.957 176.094 -0.229 0.000 1.239 1263 V CA 0.518 62.667 62.300 -0.250 0.000 1.117 1263 V CB 0.581 32.148 31.823 -0.426 0.000 0.818 1263 V HN 0.032 nan 8.190 nan 0.000 0.451 1264 V N 1.796 121.646 119.914 -0.107 0.000 2.233 1264 V HA -0.160 3.960 4.120 0.000 0.000 0.247 1264 V C 0.467 176.595 176.094 0.057 0.000 1.050 1264 V CA 2.793 65.107 62.300 0.024 0.000 1.010 1264 V CB -1.705 30.160 31.823 0.069 0.000 0.637 1264 V HN 0.517 nan 8.190 nan 0.000 0.444 1265 P HA -0.183 nan 4.420 nan 0.000 0.218 1265 P C 1.530 178.837 177.300 0.013 0.000 1.148 1265 P CA 2.267 65.377 63.100 0.018 0.000 0.822 1265 P CB -0.058 31.640 31.700 -0.003 0.000 0.784 1266 A N -0.307 122.493 122.820 -0.034 0.000 1.897 1266 A HA -0.114 4.206 4.320 0.000 0.000 0.215 1266 A C 2.220 179.776 177.584 -0.046 0.000 1.181 1266 A CA 1.189 53.199 52.037 -0.046 0.000 0.620 1266 A CB -1.484 17.464 19.000 -0.087 0.000 0.821 1266 A HN 0.065 nan 8.150 nan 0.000 0.443 1267 L N 0.021 121.183 121.223 -0.103 0.000 2.083 1267 L HA -0.195 4.145 4.340 0.000 0.000 0.209 1267 L C 2.655 179.611 176.870 0.144 0.000 1.083 1267 L CA 1.882 56.637 54.840 -0.141 0.000 0.752 1267 L CB -0.901 40.881 42.059 -0.461 0.000 0.899 1267 L HN 0.480 nan 8.230 nan 0.000 0.433 1268 Q N -1.518 118.452 119.800 0.283 0.000 2.079 1268 Q HA -0.253 4.087 4.340 0.000 0.000 0.200 1268 Q C 2.255 178.344 176.000 0.148 0.000 0.974 1268 Q CA 1.383 57.356 55.803 0.283 0.000 0.840 1268 Q CB -0.099 28.730 28.738 0.151 0.000 0.898 1268 Q HN 0.419 nan 8.270 nan 0.000 0.430 1269 Q N 0.529 120.379 119.800 0.084 0.000 2.119 1269 Q HA -0.064 4.276 4.340 0.000 0.000 0.201 1269 Q C 1.914 177.946 176.000 0.053 0.000 0.972 1269 Q CA 1.118 56.953 55.803 0.053 0.000 0.847 1269 Q CB -0.060 28.696 28.738 0.031 0.000 0.903 1269 Q HN 0.339 nan 8.270 nan 0.000 0.433 1270 L N -0.295 120.957 121.223 0.048 0.000 2.201 1270 L HA -0.124 4.216 4.340 0.000 0.000 0.212 1270 L C 2.304 179.207 176.870 0.055 0.000 1.105 1270 L CA 0.884 55.747 54.840 0.037 0.000 0.775 1270 L CB -0.196 41.872 42.059 0.014 0.000 0.913 1270 L HN 0.125 nan 8.230 nan 0.000 0.440 1271 R N 0.802 121.364 120.500 0.103 0.000 2.062 1271 R HA -0.098 4.242 4.340 0.000 0.000 0.229 1271 R C 2.163 178.522 176.300 0.099 0.000 1.128 1271 R CA 1.400 57.586 56.100 0.143 0.000 0.960 1271 R CB -0.121 30.369 30.300 0.316 0.000 0.855 1271 R HN 0.117 nan 8.270 nan 0.000 0.432 1272 K N 0.064 120.514 120.400 0.083 0.000 2.152 1272 K HA -0.099 4.221 4.320 0.000 0.000 0.206 1272 K C 1.455 178.080 176.600 0.042 0.000 1.048 1272 K CA 1.829 58.147 56.287 0.052 0.000 0.933 1272 K CB -0.199 32.325 32.500 0.040 0.000 0.721 1272 K HN 0.387 nan 8.250 nan 0.000 0.447 1273 N N -0.521 118.204 118.700 0.042 0.000 2.521 1273 N HA -0.039 4.701 4.740 0.000 0.000 0.188 1273 N C 0.643 176.173 175.510 0.032 0.000 1.146 1273 N CA 0.348 53.418 53.050 0.032 0.000 0.893 1273 N CB 0.522 39.027 38.487 0.029 0.000 0.975 1273 N HN 0.338 nan 8.380 nan 0.000 0.451 1274 G N -0.124 108.700 108.800 0.040 0.000 2.159 1274 G HA2 -0.231 3.729 3.960 0.000 0.000 0.227 1274 G HA3 -0.231 3.729 3.960 0.000 0.000 0.227 1274 G C 0.076 174.998 174.900 0.036 0.000 0.986 1274 G CA -0.162 44.961 45.100 0.037 0.000 0.651 1274 G HN 0.259 nan 8.290 nan 0.000 0.523 1275 T N 2.731 117.306 114.554 0.035 0.000 2.749 1275 T HA 0.474 4.824 4.350 0.000 0.000 0.295 1275 T C 0.312 175.025 174.700 0.022 0.000 0.936 1275 T CA -0.263 61.852 62.100 0.025 0.000 1.060 1275 T CB 1.371 70.250 68.868 0.018 0.000 0.904 1275 T HN 0.243 nan 8.240 nan 0.000 0.500 1276 Q N 2.742 122.555 119.800 0.021 0.000 2.313 1276 Q HA 0.199 4.539 4.340 0.000 0.000 0.266 1276 Q C -0.202 175.774 176.000 -0.040 0.000 0.989 1276 Q CA 0.009 55.822 55.803 0.017 0.000 0.890 1276 Q CB 0.778 29.535 28.738 0.032 0.000 1.200 1276 Q HN 0.485 nan 8.270 nan 0.000 0.396 1277 I N 4.840 125.350 120.570 -0.100 0.000 2.330 1277 I HA 0.332 4.502 4.170 0.000 0.000 0.286 1277 I C 0.156 176.143 176.117 -0.218 0.000 1.025 1277 I CA -0.530 60.597 61.300 -0.290 0.000 1.197 1277 I CB 0.421 37.924 38.000 -0.828 0.000 1.358 1277 I HN 0.449 nan 8.210 nan 0.000 0.467 1278 I N 6.495 126.972 120.570 -0.154 0.000 2.328 1278 I HA 0.324 4.494 4.170 0.000 0.000 0.287 1278 I C 0.527 176.594 176.117 -0.084 0.000 1.012 1278 I CA -0.606 60.594 61.300 -0.166 0.000 1.195 1278 I CB 0.792 38.678 38.000 -0.190 0.000 1.350 1278 I HN 0.313 nan 8.210 nan 0.000 0.464 1279 R N 4.494 124.963 120.500 -0.052 0.000 2.242 1279 R HA 0.355 4.695 4.340 0.000 0.000 0.334 1279 R C -0.047 176.279 176.300 0.043 0.000 1.071 1279 R CA -0.063 56.082 56.100 0.076 0.000 0.922 1279 R CB 1.314 31.697 30.300 0.140 0.000 1.023 1279 R HN 0.615 nan 8.270 nan 0.000 0.458 1280 S N 1.461 117.176 115.700 0.025 0.000 2.788 1280 S HA 0.675 5.145 4.470 0.000 0.000 0.291 1280 S C -0.621 173.944 174.600 -0.059 0.000 1.061 1280 S CA -0.348 57.867 58.200 0.025 0.000 0.923 1280 S CB 1.354 64.587 63.200 0.055 0.000 1.339 1280 S HN 0.650 nan 8.310 nan 0.000 0.591 1281 S N -0.493 115.176 115.700 -0.051 0.000 2.611 1281 S HA 0.409 4.879 4.470 0.000 0.000 0.268 1281 S C -1.280 173.289 174.600 -0.053 0.000 1.156 1281 S CA -0.478 57.628 58.200 -0.156 0.000 0.817 1281 S CB 0.585 63.692 63.200 -0.155 0.000 1.122 1281 S HN 1.047 nan 8.310 nan 0.000 0.466 1282 H N -0.757 118.277 119.070 -0.060 0.000 2.524 1282 H HA 0.690 5.246 4.556 0.000 0.000 0.297 1282 H C -0.583 174.757 175.328 0.020 0.000 1.115 1282 H CA -0.722 55.341 56.048 0.025 0.000 1.027 1282 H CB -0.245 29.561 29.762 0.073 0.000 1.591 1282 H HN 0.365 nan 8.280 nan 0.000 0.543 1283 V N 1.625 121.552 119.914 0.021 0.000 2.260 1283 V HA 0.175 4.295 4.120 0.000 0.000 0.263 1283 V C -0.111 175.991 176.094 0.014 0.000 1.036 1283 V CA -0.564 61.742 62.300 0.011 0.000 0.874 1283 V CB 0.136 31.923 31.823 -0.059 0.000 1.116 1283 V HN 0.627 nan 8.190 nan 0.000 0.454 1284 N N 1.763 120.482 118.700 0.032 0.000 2.321 1284 N HA 0.112 4.852 4.740 0.000 0.000 0.242 1284 N C 1.305 176.794 175.510 -0.035 0.000 1.141 1284 N CA -0.156 52.902 53.050 0.013 0.000 0.864 1284 N CB 0.676 39.187 38.487 0.040 0.000 1.100 1284 N HN 0.624 nan 8.380 nan 0.000 0.510 1285 Q N 0.354 120.120 119.800 -0.056 0.000 2.373 1285 Q HA 0.255 4.595 4.340 0.000 0.000 0.210 1285 Q C 0.337 176.234 176.000 -0.171 0.000 0.913 1285 Q CA 0.139 55.884 55.803 -0.097 0.000 0.911 1285 Q CB 0.620 29.315 28.738 -0.072 0.000 1.040 1285 Q HN 0.356 nan 8.270 nan 0.000 0.521 1286 G N -1.810 106.895 108.800 -0.158 0.000 2.495 1286 G HA2 0.458 4.418 3.960 0.000 0.000 0.294 1286 G HA3 0.458 4.418 3.960 0.000 0.000 0.294 1286 G C -0.521 174.313 174.900 -0.110 0.000 1.397 1286 G CA -0.221 44.739 45.100 -0.233 0.000 0.790 1286 G HN 0.439 nan 8.290 nan 0.000 0.486 1287 G N -1.453 107.315 108.800 -0.055 0.000 2.698 1287 G HA2 0.489 4.449 3.960 0.000 0.000 0.233 1287 G HA3 0.489 4.449 3.960 0.000 0.000 0.233 1287 G C -0.273 174.758 174.900 0.218 0.000 1.352 1287 G CA 0.638 45.765 45.100 0.044 0.000 0.879 1287 G HN 2.339 nan 8.290 nan 0.000 0.567 1288 F N -3.772 116.235 119.950 0.095 0.000 2.741 1288 F HA 0.705 5.232 4.527 0.000 0.000 0.313 1288 F C -0.316 175.562 175.800 0.130 0.000 1.153 1288 F CA -1.483 56.578 58.000 0.101 0.000 0.931 1288 F CB 1.000 40.012 39.000 0.020 0.000 1.335 1288 F HN 0.632 nan 8.300 nan 0.000 0.460 1289 V N 2.896 123.055 119.914 0.409 0.000 2.432 1289 V HA 0.313 4.433 4.120 0.000 0.000 0.271 1289 V C -0.261 176.116 176.094 0.472 0.000 1.046 1289 V CA -0.349 62.127 62.300 0.293 0.000 0.945 1289 V CB 0.973 32.933 31.823 0.227 0.000 0.992 1289 V HN 0.702 nan 8.190 nan 0.000 0.471 1290 L N 6.043 127.450 121.223 0.306 0.000 2.292 1290 L HA 0.457 4.797 4.340 0.000 0.000 0.284 1290 L C 0.537 177.588 176.870 0.303 0.000 1.065 1290 L CA 0.061 55.120 54.840 0.365 0.000 0.806 1290 L CB 0.968 43.144 42.059 0.195 0.000 1.175 1290 L HN 0.653 nan 8.230 nan 0.000 0.431 1291 R N 4.274 124.995 120.500 0.369 0.000 2.537 1291 R HA 0.076 4.416 4.340 0.000 0.000 0.280 1291 R C 0.280 176.705 176.300 0.207 0.000 1.058 1291 R CA 0.233 56.514 56.100 0.301 0.000 1.057 1291 R CB 0.139 30.694 30.300 0.425 0.000 0.973 1291 R HN 0.866 nan 8.270 nan 0.000 0.438 1292 N N 0.972 119.761 118.700 0.149 0.000 2.828 1292 N HA -0.266 4.474 4.740 0.000 0.000 0.248 1292 N C 0.136 175.694 175.510 0.080 0.000 1.044 1292 N CA 1.258 54.365 53.050 0.094 0.000 0.851 1292 N CB -1.110 37.426 38.487 0.082 0.000 1.136 1292 N HN 0.687 nan 8.380 nan 0.000 0.572 1293 A N 0.727 123.605 122.820 0.097 0.000 1.843 1293 A HA 0.015 4.335 4.320 0.000 0.000 0.213 1293 A C 1.881 179.500 177.584 0.057 0.000 1.239 1293 A CA 1.056 53.136 52.037 0.071 0.000 0.606 1293 A CB -0.142 18.902 19.000 0.073 0.000 0.903 1293 A HN 0.178 nan 8.150 nan 0.000 0.455 1294 E N -0.383 119.859 120.200 0.070 0.000 2.299 1294 E HA 0.044 4.394 4.350 0.000 0.000 0.193 1294 E C -0.097 176.546 176.600 0.072 0.000 0.998 1294 E CA 0.575 57.013 56.400 0.064 0.000 0.851 1294 E CB 0.207 29.949 29.700 0.070 0.000 0.795 1294 E HN 0.478 nan 8.360 nan 0.000 0.492 1295 Q N -0.341 119.511 119.800 0.086 0.000 2.418 1295 Q HA 0.280 4.620 4.340 0.000 0.000 0.282 1295 Q C -2.614 173.391 176.000 0.008 0.000 1.044 1295 Q CA -1.899 53.946 55.803 0.070 0.000 0.813 1295 Q CB 2.554 31.414 28.738 0.203 0.000 1.428 1295 Q HN -0.086 nan 8.270 nan 0.000 0.402 1296 P HA 0.098 nan 4.420 nan 0.000 0.247 1296 P C -0.219 176.952 177.300 -0.215 0.000 1.756 1296 P CA -0.014 63.010 63.100 -0.127 0.000 1.117 1296 P CB 0.313 31.923 31.700 -0.150 0.000 1.869 1297 D N 1.325 121.669 120.400 -0.092 0.000 2.182 1297 D HA -0.160 4.480 4.640 0.000 0.000 0.201 1297 D C 1.070 177.298 176.300 -0.120 0.000 0.986 1297 D CA 1.332 55.289 54.000 -0.070 0.000 0.847 1297 D CB -0.000 40.846 40.800 0.077 0.000 0.942 1297 D HN 0.296 nan 8.370 nan 0.000 0.467 1298 D N 0.601 120.951 120.400 -0.083 0.000 2.097 1298 D HA -0.092 4.548 4.640 0.000 0.000 0.197 1298 D C 2.054 178.280 176.300 -0.125 0.000 0.984 1298 D CA 0.910 54.869 54.000 -0.069 0.000 0.826 1298 D CB -0.029 40.754 40.800 -0.029 0.000 0.973 1298 D HN 0.029 nan 8.370 nan 0.000 0.460 1299 K N 0.560 120.859 120.400 -0.167 0.000 2.026 1299 K HA -0.010 4.310 4.320 0.000 0.000 0.208 1299 K C 1.474 177.906 176.600 -0.280 0.000 1.048 1299 K CA 0.878 57.050 56.287 -0.192 0.000 0.929 1299 K CB -0.043 32.342 32.500 -0.192 0.000 0.713 1299 K HN 0.032 nan 8.250 nan 0.000 0.439 1300 N N 0.733 119.136 118.700 -0.495 0.000 2.467 1300 N HA -0.079 4.661 4.740 0.000 0.000 0.184 1300 N C -0.523 174.668 175.510 -0.531 0.000 1.106 1300 N CA 0.623 53.216 53.050 -0.761 0.000 0.892 1300 N CB 0.144 37.521 38.487 -1.851 0.000 0.969 1300 N HN 0.147 nan 8.380 nan 0.000 0.454 1301 D N -0.648 119.584 120.400 -0.280 0.000 2.699 1301 D HA -0.158 4.482 4.640 0.000 0.000 0.239 1301 D C -1.022 175.362 176.300 0.140 0.000 1.136 1301 D CA 0.445 54.411 54.000 -0.055 0.000 0.668 1301 D CB -0.899 39.896 40.800 -0.007 0.000 1.060 1301 D HN 0.176 nan 8.370 nan 0.000 0.429 1302 W N -0.607 120.665 121.300 -0.046 0.000 2.497 1302 W HA 0.688 5.348 4.660 0.000 0.000 0.359 1302 W C 0.343 176.806 176.519 -0.092 0.000 1.131 1302 W CA -0.854 56.455 57.345 -0.061 0.000 1.280 1302 W CB 0.568 29.995 29.460 -0.056 0.000 1.319 1302 W HN -0.208 nan 8.180 nan 0.000 0.626 1303 V N 1.714 121.690 119.914 0.104 0.000 2.628 1303 V HA 0.494 4.614 4.120 0.000 0.000 0.306 1303 V C -0.449 175.553 176.094 -0.152 0.000 1.045 1303 V CA -1.165 61.073 62.300 -0.104 0.000 0.905 1303 V CB 1.754 33.452 31.823 -0.208 0.000 0.997 1303 V HN 0.211 nan 8.190 nan 0.000 0.436 1304 V N 3.080 122.875 119.914 -0.198 0.000 2.435 1304 V HA 0.498 4.618 4.120 0.000 0.000 0.290 1304 V C 0.964 176.922 176.094 -0.226 0.000 1.030 1304 V CA 0.159 62.407 62.300 -0.087 0.000 0.881 1304 V CB 1.742 33.636 31.823 0.119 0.000 0.983 1304 V HN 1.048 nan 8.190 nan 0.000 0.445 1305 A N 3.976 126.703 122.820 -0.155 0.000 2.252 1305 A HA 0.112 4.432 4.320 0.000 0.000 0.207 1305 A C 1.132 178.967 177.584 0.419 0.000 1.194 1305 A CA 1.155 53.156 52.037 -0.061 0.000 0.809 1305 A CB -0.995 18.031 19.000 0.044 0.000 0.814 1305 A HN 1.224 nan 8.150 nan 0.000 0.482 1306 H N -0.442 118.818 119.070 0.317 0.000 1.452 1306 H HA -0.283 4.273 4.556 0.000 0.000 0.090 1306 H C 0.770 176.359 175.328 0.435 0.000 0.629 1306 H CA 1.612 57.913 56.048 0.422 0.000 1.901 1306 H CB -1.029 28.987 29.762 0.424 0.000 2.257 1306 H HN 0.619 nan 8.280 nan 0.000 0.961 1307 D N 2.222 122.795 120.400 0.288 0.000 2.360 1307 D HA 0.107 4.747 4.640 0.000 0.000 0.210 1307 D C 0.634 177.097 176.300 0.271 0.000 1.047 1307 D CA 0.090 54.256 54.000 0.277 0.000 0.854 1307 D CB -0.003 40.983 40.800 0.310 0.000 0.936 1307 D HN 0.276 nan 8.370 nan 0.000 0.514 1308 L N 2.445 123.852 121.223 0.307 0.000 2.453 1308 L HA 0.077 4.417 4.340 0.000 0.000 0.272 1308 L C 0.895 177.893 176.870 0.213 0.000 1.182 1308 L CA -0.668 54.325 54.840 0.254 0.000 0.858 1308 L CB 0.194 42.458 42.059 0.341 0.000 1.120 1308 L HN 0.032 nan 8.230 nan 0.000 0.474 1309 N N 3.907 122.700 118.700 0.155 0.000 2.294 1309 N HA 0.172 4.912 4.740 0.000 0.000 0.248 1309 N C -2.171 173.433 175.510 0.155 0.000 1.300 1309 N CA -1.481 51.650 53.050 0.134 0.000 0.925 1309 N CB -0.191 38.357 38.487 0.101 0.000 1.188 1309 N HN 0.156 nan 8.380 nan 0.000 0.512 1310 P HA -0.214 nan 4.420 nan 0.000 0.214 1310 P C 1.159 178.547 177.300 0.146 0.000 1.163 1310 P CA 1.839 65.022 63.100 0.138 0.000 0.889 1310 P CB -0.050 31.732 31.700 0.137 0.000 0.790 1311 E N 0.297 120.575 120.200 0.130 0.000 2.153 1311 E HA -0.211 4.139 4.350 0.000 0.000 0.194 1311 E C 1.698 178.404 176.600 0.176 0.000 0.988 1311 E CA 1.465 57.941 56.400 0.128 0.000 0.811 1311 E CB -0.708 29.053 29.700 0.101 0.000 0.746 1311 E HN 0.120 nan 8.360 nan 0.000 0.466 1312 K N 1.160 121.678 120.400 0.198 0.000 2.062 1312 K HA 0.101 4.421 4.320 0.000 0.000 0.205 1312 K C 2.148 178.971 176.600 0.371 0.000 1.051 1312 K CA 1.505 57.958 56.287 0.277 0.000 0.941 1312 K CB -0.529 32.053 32.500 0.137 0.000 0.719 1312 K HN 0.235 nan 8.250 nan 0.000 0.440 1313 A N 0.657 123.685 122.820 0.346 0.000 1.969 1313 A HA -0.164 4.157 4.320 0.000 0.000 0.218 1313 A C 2.111 179.918 177.584 0.372 0.000 1.169 1313 A CA 1.579 53.907 52.037 0.484 0.000 0.635 1313 A CB -0.436 18.822 19.000 0.431 0.000 0.810 1313 A HN 0.280 nan 8.150 nan 0.000 0.445 1314 R N -0.205 120.438 120.500 0.238 0.000 2.073 1314 R HA -0.109 4.231 4.340 0.000 0.000 0.234 1314 R C 1.807 178.175 176.300 0.113 0.000 1.134 1314 R CA 1.769 57.963 56.100 0.157 0.000 0.952 1314 R CB -0.324 30.041 30.300 0.108 0.000 0.850 1314 R HN 0.401 nan 8.270 nan 0.000 0.433 1315 I N 1.331 121.973 120.570 0.121 0.000 2.163 1315 I HA -0.264 3.906 4.170 0.000 0.000 0.243 1315 I C 2.407 178.476 176.117 -0.081 0.000 1.085 1315 I CA 0.967 62.297 61.300 0.051 0.000 1.347 1315 I CB -1.123 36.950 38.000 0.123 0.000 1.044 1315 I HN 0.317 nan 8.210 nan 0.000 0.408 1316 L N 1.373 122.537 121.223 -0.099 0.000 2.046 1316 L HA -0.098 4.242 4.340 0.000 0.000 0.208 1316 L C 2.583 179.266 176.870 -0.313 0.000 1.077 1316 L CA 2.084 56.709 54.840 -0.358 0.000 0.747 1316 L CB -0.917 40.846 42.059 -0.495 0.000 0.896 1316 L HN 0.185 nan 8.230 nan 0.000 0.432 1317 A N -0.721 122.080 122.820 -0.031 0.000 1.877 1317 A HA -0.247 4.073 4.320 0.000 0.000 0.216 1317 A C 2.300 179.863 177.584 -0.035 0.000 1.186 1317 A CA 2.148 54.238 52.037 0.088 0.000 0.620 1317 A CB -0.550 18.581 19.000 0.218 0.000 0.822 1317 A HN 0.499 nan 8.150 nan 0.000 0.443 1318 M N -0.681 118.891 119.600 -0.046 0.000 2.082 1318 M HA -0.195 4.285 4.480 0.000 0.000 0.258 1318 M C 2.204 178.419 176.300 -0.141 0.000 1.071 1318 M CA 2.029 57.291 55.300 -0.064 0.000 1.103 1318 M CB -0.667 31.904 32.600 -0.047 0.000 1.307 1318 M HN 0.289 nan 8.290 nan 0.000 0.409 1319 V N 0.370 120.134 119.914 -0.249 0.000 2.287 1319 V HA -0.292 3.828 4.120 0.000 0.000 0.248 1319 V C 2.604 178.281 176.094 -0.695 0.000 1.053 1319 V CA 2.092 64.103 62.300 -0.481 0.000 1.027 1319 V CB -1.423 29.981 31.823 -0.698 0.000 0.646 1319 V HN 0.570 nan 8.190 nan 0.000 0.447 1320 A N -0.600 121.839 122.820 -0.635 0.000 1.902 1320 A HA -0.227 4.093 4.320 0.000 0.000 0.217 1320 A C 2.180 179.712 177.584 -0.087 0.000 1.181 1320 A CA 2.179 53.999 52.037 -0.362 0.000 0.623 1320 A CB -0.554 18.341 19.000 -0.176 0.000 0.818 1320 A HN 0.512 nan 8.150 nan 0.000 0.443 1321 M N 0.529 120.085 119.600 -0.074 0.000 2.700 1321 M HA -0.085 4.395 4.480 0.000 0.000 0.249 1321 M C 1.810 178.108 176.300 -0.003 0.000 1.082 1321 M CA 1.432 56.726 55.300 -0.010 0.000 1.077 1321 M CB -0.392 32.210 32.600 0.003 0.000 1.477 1321 M HN 0.698 nan 8.290 nan 0.000 0.529 1322 T N -3.180 111.359 114.554 -0.025 0.000 3.100 1322 T HA 0.066 4.416 4.350 0.000 0.000 0.253 1322 T C 1.666 176.399 174.700 0.055 0.000 1.118 1322 T CA 0.381 62.485 62.100 0.007 0.000 1.058 1322 T CB 0.182 69.045 68.868 -0.008 0.000 0.953 1322 T HN 0.247 nan 8.240 nan 0.000 0.515 1323 K N -0.052 120.403 120.400 0.093 0.000 2.424 1323 K HA 0.245 4.565 4.320 0.000 0.000 0.198 1323 K C 0.463 177.112 176.600 0.083 0.000 1.190 1323 K CA 0.408 56.767 56.287 0.120 0.000 0.935 1323 K CB 1.262 33.901 32.500 0.233 0.000 1.087 1323 K HN 0.363 nan 8.250 nan 0.000 0.524 1324 T N -0.737 113.863 114.554 0.078 0.000 2.885 1324 T HA 0.172 4.522 4.350 0.000 0.000 0.322 1324 T C -1.082 173.649 174.700 0.052 0.000 1.387 1324 T CA -0.408 61.728 62.100 0.060 0.000 1.041 1324 T CB 1.932 70.838 68.868 0.064 0.000 1.287 1324 T HN -0.110 nan 8.240 nan 0.000 0.491 1325 Q N 1.504 121.330 119.800 0.044 0.000 2.149 1325 Q HA 0.162 4.502 4.340 0.000 0.000 0.221 1325 Q C -0.604 175.421 176.000 0.041 0.000 0.807 1325 Q CA -0.187 55.641 55.803 0.042 0.000 1.000 1325 Q CB 0.616 29.374 28.738 0.034 0.000 1.157 1325 Q HN 0.685 nan 8.270 nan 0.000 0.487 1326 D N 0.006 120.431 120.400 0.041 0.000 2.343 1326 D HA 0.095 4.735 4.640 0.000 0.000 0.255 1326 D C 0.619 176.942 176.300 0.037 0.000 1.187 1326 D CA 0.305 54.327 54.000 0.036 0.000 0.875 1326 D CB 1.398 42.218 40.800 0.033 0.000 1.136 1326 D HN -0.093 nan 8.370 nan 0.000 0.469 1327 S N 3.136 118.855 115.700 0.033 0.000 2.399 1327 S HA -0.148 4.322 4.470 0.000 0.000 0.231 1327 S C 1.560 176.159 174.600 -0.003 0.000 1.022 1327 S CA 0.941 59.156 58.200 0.026 0.000 0.983 1327 S CB 0.107 63.328 63.200 0.036 0.000 0.803 1327 S HN 0.429 nan 8.310 nan 0.000 0.480 1328 K N 1.382 121.781 120.400 -0.001 0.000 2.103 1328 K HA 0.087 4.407 4.320 0.000 0.000 0.204 1328 K C 2.096 178.691 176.600 -0.008 0.000 1.052 1328 K CA 0.798 57.074 56.287 -0.017 0.000 0.945 1328 K CB -0.163 32.341 32.500 0.007 0.000 0.722 1328 K HN 0.159 nan 8.250 nan 0.000 0.443 1329 E N 0.054 120.267 120.200 0.022 0.000 2.107 1329 E HA -0.106 4.244 4.350 0.000 0.000 0.191 1329 E C 1.817 178.453 176.600 0.060 0.000 0.982 1329 E CA 0.668 57.094 56.400 0.044 0.000 0.809 1329 E CB -0.082 29.647 29.700 0.050 0.000 0.756 1329 E HN 0.079 nan 8.360 nan 0.000 0.459 1330 L N 1.161 122.422 121.223 0.064 0.000 2.083 1330 L HA -0.204 4.136 4.340 0.000 0.000 0.209 1330 L C 2.461 179.415 176.870 0.141 0.000 1.083 1330 L CA 1.565 56.482 54.840 0.127 0.000 0.752 1330 L CB -0.645 41.487 42.059 0.122 0.000 0.899 1330 L HN 0.086 nan 8.230 nan 0.000 0.433 1331 Q N -0.479 119.281 119.800 -0.067 0.000 2.119 1331 Q HA -0.198 4.142 4.340 0.000 0.000 0.201 1331 Q C 2.414 178.167 176.000 -0.411 0.000 0.972 1331 Q CA 1.576 57.154 55.803 -0.375 0.000 0.847 1331 Q CB -0.205 28.180 28.738 -0.588 0.000 0.903 1331 Q HN 0.392 nan 8.270 nan 0.000 0.433 1332 R N -0.220 120.215 120.500 -0.109 0.000 2.073 1332 R HA -0.117 4.223 4.340 0.000 0.000 0.234 1332 R C 2.134 178.561 176.300 0.213 0.000 1.134 1332 R CA 1.709 57.881 56.100 0.121 0.000 0.952 1332 R CB -0.426 29.955 30.300 0.135 0.000 0.850 1332 R HN 0.399 nan 8.270 nan 0.000 0.433 1333 I N 0.175 120.859 120.570 0.190 0.000 2.208 1333 I HA -0.273 3.897 4.170 0.000 0.000 0.245 1333 I C 1.798 178.062 176.117 0.244 0.000 1.097 1333 I CA 1.330 62.777 61.300 0.245 0.000 1.363 1333 I CB -0.246 37.817 38.000 0.105 0.000 1.051 1333 I HN 0.151 nan 8.210 nan 0.000 0.413 1334 F N -0.698 119.315 119.950 0.104 0.000 2.502 1334 F HA -0.153 4.374 4.527 0.000 0.000 0.298 1334 F C 1.699 177.636 175.800 0.227 0.000 1.111 1334 F CA 0.879 58.957 58.000 0.130 0.000 1.445 1334 F CB -0.075 38.916 39.000 -0.015 0.000 1.081 1334 F HN 0.166 nan 8.300 nan 0.000 0.558 1335 W N -0.208 121.197 121.300 0.174 0.000 3.114 1335 W HA 0.152 4.812 4.660 0.000 0.000 0.279 1335 W C 1.537 178.050 176.519 -0.009 0.000 1.277 1335 W CA 0.117 57.422 57.345 -0.066 0.000 1.630 1335 W CB -0.491 28.900 29.460 -0.114 0.000 1.087 1335 W HN 0.123 nan 8.180 nan 0.000 0.637 1336 E N -2.149 118.238 120.200 0.311 0.000 2.434 1336 E HA 0.040 4.390 4.350 0.000 0.000 0.207 1336 E C -0.179 176.417 176.600 -0.006 0.000 0.929 1336 E CA 0.327 56.799 56.400 0.120 0.000 1.001 1336 E CB 0.536 30.276 29.700 0.068 0.000 1.016 1336 E HN -0.020 nan 8.360 nan 0.000 0.502 1337 Y N 0.000 120.391 120.300 0.152 0.000 2.660 1337 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1337 Y CA 0.000 58.212 58.100 0.187 0.000 1.940 1337 Y CB 0.000 38.555 38.460 0.159 0.000 1.050 1337 Y HN 0.000 nan 8.280 nan 0.000 0.758