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 3l99_1_B DATA FIRST_RESID 1001 DATA SEQUENCE ADTKAKLTLN GDTAVELDVL KGTLGQDVID IRTLGSKGVF TFDPGFTSTT DATA SEQUENCE SCESKITFID GDEGILLHRG FPIDQLATDS NYLEVCYILL NGEKPTQEQY DATA SEQUENCE DEFKTTVTRH TMIHEQITRL FHAFRRDSHP MAVMCGITGA LAAFYHDSLD DATA SEQUENCE VNNPRHREIA AFRLLSKMPT MAAMCYKYSI GQPFVYPRND LSYAGNFLNM DATA SEQUENCE MFSTPCEPYE VNPILERAMD RILILHADHE QNASTSTVRT AGSSGANPFA DATA SEQUENCE CIAAGIASLW GPAHGGANEA ALKMLEEIGK KENIPEFVRR AKDKNDSFRL DATA SEQUENCE MGFGHRVYKN YDPRATVMRE TCHEVLKELG TKDDLLEVAM ELENIALNDP DATA SEQUENCE YFIEKKLYPN VDFYSGIILK AMGIPSSMFT VIFAMARTVG WIAHWSEMHS DATA SEQUENCE DGMKIARPRQ LYTGYEKRDF KSDIKR 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 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.581 177.584 -0.004 0.000 1.274 1001 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1001 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 1002 D N 1.133 121.532 120.400 -0.002 0.000 2.237 1002 D HA 0.001 4.641 4.640 -0.000 0.000 0.267 1002 D C 1.262 177.562 176.300 0.000 0.000 1.226 1002 D CA 1.568 55.568 54.000 -0.001 0.000 0.947 1002 D CB 0.581 41.382 40.800 0.002 0.000 0.941 1002 D HN 0.397 nan 8.370 nan 0.000 0.333 1003 T N 0.638 115.193 114.554 0.002 0.000 3.473 1003 T HA 0.071 4.421 4.350 -0.000 0.000 0.247 1003 T C -0.474 174.227 174.700 0.002 0.000 1.010 1003 T CA -0.206 61.895 62.100 0.002 0.000 0.940 1003 T CB -0.662 68.208 68.868 0.004 0.000 1.068 1003 T HN 0.137 nan 8.240 nan 0.000 0.604 1004 K N 0.047 120.448 120.400 0.000 0.000 2.762 1004 K HA 0.560 4.880 4.320 -0.000 0.000 0.272 1004 K C 0.001 176.600 176.600 -0.002 0.000 1.093 1004 K CA -0.581 55.706 56.287 -0.000 0.000 1.048 1004 K CB 0.615 33.115 32.500 0.000 0.000 1.304 1004 K HN 0.006 nan 8.250 nan 0.000 0.511 1005 A N 2.701 125.519 122.820 -0.003 0.000 1.922 1005 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 1005 A C 0.287 177.868 177.584 -0.005 0.000 1.370 1005 A CA 1.184 53.219 52.037 -0.004 0.000 0.627 1005 A CB 0.010 19.008 19.000 -0.004 0.000 1.060 1005 A HN 0.614 nan 8.150 nan 0.000 0.487 1006 K N -1.518 118.879 120.400 -0.005 0.000 2.509 1006 K HA 0.657 4.977 4.320 -0.000 0.000 0.266 1006 K C -1.407 175.190 176.600 -0.004 0.000 0.987 1006 K CA -0.548 55.736 56.287 -0.005 0.000 0.868 1006 K CB 1.722 34.218 32.500 -0.006 0.000 1.421 1006 K HN 0.605 nan 8.250 nan 0.000 0.444 1007 L N -1.282 119.938 121.223 -0.005 0.000 2.350 1007 L HA 0.825 5.165 4.340 -0.000 0.000 0.260 1007 L C -1.059 175.808 176.870 -0.005 0.000 1.015 1007 L CA -0.686 54.152 54.840 -0.004 0.000 0.821 1007 L CB 2.315 44.373 42.059 -0.003 0.000 1.370 1007 L HN 0.693 nan 8.230 nan 0.000 0.416 1008 T N 0.173 114.725 114.554 -0.003 0.000 2.890 1008 T HA 0.554 4.904 4.350 -0.000 0.000 0.295 1008 T C -0.750 173.948 174.700 -0.003 0.000 0.993 1008 T CA -0.506 61.591 62.100 -0.005 0.000 0.979 1008 T CB 1.376 70.241 68.868 -0.004 0.000 0.967 1008 T HN 0.714 nan 8.240 nan 0.000 0.441 1009 L N 3.780 124.999 121.223 -0.006 0.000 2.315 1009 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 1009 L C -0.673 176.195 176.870 -0.003 0.000 1.089 1009 L CA -0.144 54.693 54.840 -0.004 0.000 0.833 1009 L CB -0.063 41.990 42.059 -0.010 0.000 1.170 1009 L HN 0.659 nan 8.230 nan 0.000 0.442 1010 N N 4.222 122.922 118.700 0.001 0.000 2.424 1010 N HA 0.507 5.247 4.740 -0.000 0.000 0.271 1010 N C 0.217 175.730 175.510 0.004 0.000 0.985 1010 N CA 0.226 53.277 53.050 0.002 0.000 0.921 1010 N CB 1.986 40.475 38.487 0.003 0.000 1.149 1010 N HN 0.841 nan 8.380 nan 0.000 0.492 1011 G N 0.645 109.447 108.800 0.002 0.000 2.485 1011 G HA2 0.030 3.990 3.960 -0.000 0.000 0.192 1011 G HA3 0.030 3.990 3.960 -0.000 0.000 0.192 1011 G C 0.249 175.151 174.900 0.003 0.000 1.368 1011 G CA 0.137 45.239 45.100 0.004 0.000 0.685 1011 G HN 0.406 nan 8.290 nan 0.000 0.608 1012 D N -0.293 120.108 120.400 0.001 0.000 2.460 1012 D HA 0.235 4.874 4.640 -0.000 0.000 0.263 1012 D C -0.413 175.886 176.300 -0.001 0.000 1.209 1012 D CA 0.510 54.510 54.000 0.001 0.000 0.818 1012 D CB 1.771 42.572 40.800 0.002 0.000 1.239 1012 D HN 0.188 nan 8.370 nan 0.000 0.530 1013 T N 0.614 115.166 114.554 -0.003 0.000 3.237 1013 T HA 0.521 4.871 4.350 -0.000 0.000 0.319 1013 T C -0.476 174.220 174.700 -0.007 0.000 1.037 1013 T CA -0.705 61.392 62.100 -0.005 0.000 1.048 1013 T CB 2.212 71.076 68.868 -0.006 0.000 1.081 1013 T HN 0.062 nan 8.240 nan 0.000 0.455 1014 A N 2.729 125.545 122.820 -0.006 0.000 2.561 1014 A HA 0.424 4.744 4.320 -0.000 0.000 0.251 1014 A C 0.274 177.852 177.584 -0.010 0.000 1.062 1014 A CA 0.037 52.070 52.037 -0.007 0.000 0.761 1014 A CB -0.209 18.787 19.000 -0.005 0.000 0.986 1014 A HN 0.737 nan 8.150 nan 0.000 0.510 1015 V N 4.951 124.858 119.914 -0.012 0.000 2.284 1015 V HA 0.170 4.290 4.120 -0.000 0.000 0.274 1015 V C 0.234 176.319 176.094 -0.015 0.000 1.023 1015 V CA -0.449 61.841 62.300 -0.016 0.000 0.808 1015 V CB 0.675 32.485 31.823 -0.022 0.000 1.035 1015 V HN 0.972 nan 8.190 nan 0.000 0.445 1016 E N 4.481 124.672 120.200 -0.014 0.000 2.344 1016 E HA 0.409 4.759 4.350 -0.000 0.000 0.270 1016 E C -0.895 175.696 176.600 -0.015 0.000 1.021 1016 E CA -0.067 56.326 56.400 -0.012 0.000 0.887 1016 E CB 1.059 30.752 29.700 -0.011 0.000 0.997 1016 E HN 0.525 nan 8.360 nan 0.000 0.429 1017 L N 3.592 124.807 121.223 -0.013 0.000 2.346 1017 L HA 0.259 4.599 4.340 -0.000 0.000 0.276 1017 L C -0.399 176.464 176.870 -0.013 0.000 1.006 1017 L CA -1.283 53.548 54.840 -0.015 0.000 0.817 1017 L CB 1.518 43.568 42.059 -0.015 0.000 1.272 1017 L HN 0.511 nan 8.230 nan 0.000 0.421 1018 D N 2.216 122.607 120.400 -0.014 0.000 2.390 1018 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 1018 D C -0.044 176.248 176.300 -0.012 0.000 1.144 1018 D CA -0.194 53.799 54.000 -0.013 0.000 0.880 1018 D CB 1.856 42.647 40.800 -0.014 0.000 1.182 1018 D HN 0.096 nan 8.370 nan 0.000 0.451 1019 V N 2.463 122.371 119.914 -0.010 0.000 2.607 1019 V HA 0.318 4.438 4.120 -0.000 0.000 0.289 1019 V C -0.651 175.437 176.094 -0.010 0.000 1.053 1019 V CA -0.495 61.800 62.300 -0.009 0.000 0.996 1019 V CB 0.857 32.676 31.823 -0.007 0.000 0.995 1019 V HN 0.425 nan 8.190 nan 0.000 0.476 1020 L N 6.669 127.886 121.223 -0.010 0.000 2.330 1020 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 1020 L C -0.086 176.779 176.870 -0.009 0.000 1.013 1020 L CA -0.202 54.631 54.840 -0.011 0.000 0.816 1020 L CB 1.801 43.853 42.059 -0.013 0.000 1.287 1020 L HN 0.542 nan 8.230 nan 0.000 0.435 1021 K N 0.182 120.575 120.400 -0.012 0.000 2.371 1021 K HA 0.728 5.047 4.320 -0.000 0.000 0.251 1021 K C -0.272 176.319 176.600 -0.016 0.000 0.934 1021 K CA -0.749 55.531 56.287 -0.012 0.000 0.798 1021 K CB 2.172 34.663 32.500 -0.016 0.000 1.204 1021 K HN 0.770 nan 8.250 nan 0.000 0.427 1022 G N -0.342 108.450 108.800 -0.012 0.000 2.522 1022 G HA2 0.164 4.124 3.960 -0.000 0.000 0.304 1022 G HA3 0.164 4.124 3.960 -0.000 0.000 0.304 1022 G C 0.910 175.781 174.900 -0.049 0.000 1.210 1022 G CA -0.483 44.605 45.100 -0.019 0.000 0.960 1022 G HN 0.629 nan 8.290 nan 0.000 0.497 1023 T N -2.191 112.317 114.554 -0.076 0.000 3.035 1023 T HA 0.207 4.557 4.350 -0.000 0.000 0.268 1023 T C 0.611 175.202 174.700 -0.182 0.000 1.109 1023 T CA 0.666 62.697 62.100 -0.115 0.000 1.119 1023 T CB -0.243 68.551 68.868 -0.124 0.000 0.900 1023 T HN 0.165 nan 8.240 nan 0.000 0.503 1024 L N -0.666 120.430 121.223 -0.211 0.000 2.518 1024 L HA 0.646 4.986 4.340 -0.000 0.000 0.257 1024 L C 0.463 177.302 176.870 -0.051 0.000 0.980 1024 L CA -0.130 54.505 54.840 -0.342 0.000 0.837 1024 L CB 2.054 43.480 42.059 -1.055 0.000 1.410 1024 L HN 0.408 nan 8.230 nan 0.000 0.410 1025 G N 0.923 109.787 108.800 0.107 0.000 2.627 1025 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 1025 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 1025 G C -1.196 173.763 174.900 0.100 0.000 1.331 1025 G CA -0.805 44.438 45.100 0.238 0.000 0.891 1025 G HN 0.457 nan 8.290 nan 0.000 0.539 1026 Q N 0.700 120.549 119.800 0.081 0.000 2.354 1026 Q HA 0.420 4.760 4.340 -0.000 0.000 0.244 1026 Q C -0.180 175.836 176.000 0.027 0.000 0.969 1026 Q CA -0.275 55.553 55.803 0.041 0.000 0.885 1026 Q CB 0.821 29.576 28.738 0.028 0.000 1.241 1026 Q HN 0.579 nan 8.270 nan 0.000 0.461 1027 D N 0.501 120.910 120.400 0.014 0.000 2.283 1027 D HA 0.389 5.029 4.640 -0.000 0.000 0.248 1027 D C -0.071 176.232 176.300 0.004 0.000 1.072 1027 D CA -0.288 53.715 54.000 0.006 0.000 0.929 1027 D CB 1.217 42.018 40.800 0.002 0.000 1.182 1027 D HN 0.286 nan 8.370 nan 0.000 0.433 1028 V N -1.825 118.089 119.914 -0.000 0.000 3.126 1028 V HA 0.627 4.747 4.120 -0.000 0.000 0.314 1028 V C -0.228 175.862 176.094 -0.006 0.000 1.138 1028 V CA -1.008 61.290 62.300 -0.003 0.000 1.034 1028 V CB 1.639 33.458 31.823 -0.006 0.000 1.075 1028 V HN 0.378 nan 8.190 nan 0.000 0.442 1029 I N 1.593 122.159 120.570 -0.007 0.000 2.359 1029 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 1029 I C -0.418 175.691 176.117 -0.012 0.000 0.987 1029 I CA -0.252 61.043 61.300 -0.008 0.000 1.225 1029 I CB 1.524 39.521 38.000 -0.005 0.000 1.366 1029 I HN 0.710 nan 8.210 nan 0.000 0.466 1030 D N 6.436 126.828 120.400 -0.014 0.000 2.302 1030 D HA 0.340 4.980 4.640 -0.000 0.000 0.248 1030 D C 0.291 176.579 176.300 -0.020 0.000 1.094 1030 D CA 0.126 54.115 54.000 -0.018 0.000 0.897 1030 D CB 1.203 41.992 40.800 -0.019 0.000 1.200 1030 D HN 0.553 nan 8.370 nan 0.000 0.429 1031 I N -0.293 120.263 120.570 -0.023 0.000 4.014 1031 I HA 0.221 4.391 4.170 -0.000 0.000 0.339 1031 I C 1.184 177.282 176.117 -0.031 0.000 1.357 1031 I CA -0.591 60.693 61.300 -0.027 0.000 1.070 1031 I CB 0.310 38.298 38.000 -0.019 0.000 1.809 1031 I HN 0.080 nan 8.210 nan 0.000 0.664 1032 R N 1.712 122.195 120.500 -0.028 0.000 2.096 1032 R HA -0.135 4.205 4.340 -0.000 0.000 0.240 1032 R C 2.195 178.476 176.300 -0.031 0.000 1.139 1032 R CA 2.719 58.804 56.100 -0.025 0.000 0.952 1032 R CB -0.477 29.810 30.300 -0.023 0.000 0.854 1032 R HN 0.698 nan 8.270 nan 0.000 0.436 1033 T N -1.124 113.406 114.554 -0.040 0.000 3.088 1033 T HA 0.092 4.442 4.350 -0.000 0.000 0.259 1033 T C 1.888 176.535 174.700 -0.088 0.000 1.122 1033 T CA 0.184 62.254 62.100 -0.051 0.000 1.095 1033 T CB -0.115 68.728 68.868 -0.042 0.000 0.930 1033 T HN 0.084 nan 8.240 nan 0.000 0.508 1034 L N 1.222 122.382 121.223 -0.104 0.000 1.997 1034 L HA -0.121 4.219 4.340 -0.000 0.000 0.216 1034 L C 3.099 179.785 176.870 -0.308 0.000 1.074 1034 L CA 1.946 56.685 54.840 -0.168 0.000 0.763 1034 L CB -1.374 40.595 42.059 -0.150 0.000 0.890 1034 L HN 0.513 nan 8.230 nan 0.000 0.434 1035 G N -1.434 107.154 108.800 -0.354 0.000 2.469 1035 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 1035 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 1035 G C 1.630 176.344 174.900 -0.310 0.000 1.136 1035 G CA 1.086 45.833 45.100 -0.589 0.000 0.759 1035 G HN 0.377 nan 8.290 nan 0.000 0.562 1036 S N -0.273 115.342 115.700 -0.142 0.000 2.641 1036 S HA 0.056 4.526 4.470 -0.000 0.000 0.239 1036 S C 1.308 175.856 174.600 -0.088 0.000 0.972 1036 S CA 0.726 58.884 58.200 -0.070 0.000 0.954 1036 S CB -0.224 62.951 63.200 -0.042 0.000 0.767 1036 S HN 0.481 nan 8.310 nan 0.000 0.539 1037 K N -0.544 119.759 120.400 -0.161 0.000 2.860 1037 K HA 0.261 4.581 4.320 -0.000 0.000 0.204 1037 K C 0.795 177.288 176.600 -0.178 0.000 1.127 1037 K CA 0.214 56.422 56.287 -0.131 0.000 1.050 1037 K CB 0.624 33.055 32.500 -0.114 0.000 0.745 1037 K HN 0.166 nan 8.250 nan 0.000 0.459 1038 G N 1.250 109.912 108.800 -0.230 0.000 2.200 1038 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 1038 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 1038 G C 0.051 174.727 174.900 -0.373 0.000 0.993 1038 G CA 0.817 45.811 45.100 -0.177 0.000 0.701 1038 G HN 0.329 nan 8.290 nan 0.000 0.524 1039 V N 0.696 120.245 119.914 -0.608 0.000 2.328 1039 V HA 0.795 4.915 4.120 -0.000 0.000 0.278 1039 V C -0.558 175.157 176.094 -0.632 0.000 1.021 1039 V CA -1.224 60.830 62.300 -0.410 0.000 0.838 1039 V CB 0.313 32.016 31.823 -0.200 0.000 0.999 1039 V HN 0.271 nan 8.190 nan 0.000 0.447 1040 F N 3.621 123.597 119.950 0.043 0.000 2.546 1040 F HA 0.705 5.232 4.527 -0.000 0.000 0.320 1040 F C 0.658 176.509 175.800 0.085 0.000 1.076 1040 F CA -0.663 57.373 58.000 0.061 0.000 0.928 1040 F CB 2.158 41.202 39.000 0.072 0.000 1.189 1040 F HN 0.560 nan 8.300 nan 0.000 0.465 1041 T N -0.918 113.795 114.554 0.265 0.000 2.934 1041 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 1041 T C -1.019 173.862 174.700 0.302 0.000 1.005 1041 T CA -0.538 61.694 62.100 0.220 0.000 1.041 1041 T CB 1.414 70.364 68.868 0.137 0.000 1.042 1041 T HN 0.504 nan 8.240 nan 0.000 0.505 1042 F N 1.345 121.356 119.950 0.102 0.000 2.482 1042 F HA 0.543 5.070 4.527 -0.000 0.000 0.331 1042 F C -0.610 175.241 175.800 0.085 0.000 1.115 1042 F CA -0.636 57.417 58.000 0.088 0.000 0.955 1042 F CB 1.618 40.655 39.000 0.062 0.000 1.136 1042 F HN 0.725 nan 8.300 nan 0.000 0.452 1043 D N 6.905 127.009 120.400 -0.493 0.000 3.449 1043 D HA 0.254 4.894 4.640 -0.000 0.000 0.262 1043 D C -2.858 173.224 176.300 -0.364 0.000 1.343 1043 D CA -1.112 52.688 54.000 -0.333 0.000 0.787 1043 D CB 0.670 41.456 40.800 -0.024 0.000 1.412 1043 D HN 0.118 nan 8.370 nan 0.000 0.652 1044 P HA 0.398 nan 4.420 nan 0.000 0.268 1044 P C 1.057 178.123 177.300 -0.390 0.000 1.205 1044 P CA 0.867 63.668 63.100 -0.499 0.000 0.771 1044 P CB 1.082 32.519 31.700 -0.438 0.000 0.858 1045 G N 1.951 110.440 108.800 -0.520 0.000 2.258 1045 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.233 1045 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.233 1045 G C 0.552 175.328 174.900 -0.206 0.000 1.006 1045 G CA -0.111 44.782 45.100 -0.345 0.000 0.620 1045 G HN 0.553 nan 8.290 nan 0.000 0.511 1046 F N 0.337 120.231 119.950 -0.093 0.000 3.039 1046 F HA -0.281 4.246 4.527 -0.000 0.000 0.287 1046 F C 1.988 177.754 175.800 -0.057 0.000 0.956 1046 F CA 1.138 59.096 58.000 -0.070 0.000 0.971 1046 F CB -1.983 36.985 39.000 -0.052 0.000 0.943 1046 F HN 0.644 nan 8.300 nan 0.000 0.766 1047 T N -4.974 109.637 114.554 0.095 0.000 3.085 1047 T HA 0.006 4.356 4.350 -0.000 0.000 0.263 1047 T C 1.233 175.955 174.700 0.037 0.000 1.127 1047 T CA 1.343 63.468 62.100 0.042 0.000 1.103 1047 T CB 0.201 69.072 68.868 0.005 0.000 0.921 1047 T HN 0.349 nan 8.240 nan 0.000 0.510 1048 S N -0.252 115.477 115.700 0.048 0.000 2.744 1048 S HA 0.212 4.682 4.470 -0.000 0.000 0.265 1048 S C 0.237 174.847 174.600 0.017 0.000 1.065 1048 S CA -0.492 57.725 58.200 0.028 0.000 1.191 1048 S CB 0.847 64.062 63.200 0.025 0.000 1.150 1048 S HN 0.491 nan 8.310 nan 0.000 0.646 1049 T N 3.346 117.913 114.554 0.021 0.000 2.780 1049 T HA 0.341 4.690 4.350 -0.000 0.000 0.294 1049 T C -0.217 174.430 174.700 -0.088 0.000 0.949 1049 T CA 0.119 62.190 62.100 -0.047 0.000 1.074 1049 T CB 1.178 69.979 68.868 -0.112 0.000 0.910 1049 T HN -0.038 nan 8.240 nan 0.000 0.501 1050 T N 2.827 117.332 114.554 -0.083 0.000 2.811 1050 T HA 0.175 4.525 4.350 -0.000 0.000 0.309 1050 T C 1.667 176.298 174.700 -0.114 0.000 1.005 1050 T CA -0.566 61.488 62.100 -0.077 0.000 0.955 1050 T CB 0.526 69.368 68.868 -0.043 0.000 0.970 1050 T HN 0.740 nan 8.240 nan 0.000 0.496 1051 S N 1.936 117.543 115.700 -0.155 0.000 2.402 1051 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 1051 S C 1.139 175.679 174.600 -0.102 0.000 1.021 1051 S CA 0.318 58.410 58.200 -0.179 0.000 0.974 1051 S CB -0.602 62.469 63.200 -0.215 0.000 0.800 1051 S HN 0.901 nan 8.310 nan 0.000 0.484 1052 C N -0.758 118.505 119.300 -0.061 0.000 3.332 1052 C HA 0.798 5.258 4.460 -0.000 0.000 0.329 1052 C C -1.081 173.900 174.990 -0.015 0.000 1.434 1052 C CA -1.151 57.846 59.018 -0.034 0.000 1.314 1052 C CB 1.009 28.740 27.740 -0.016 0.000 1.664 1052 C HN 0.557 nan 8.230 nan 0.000 0.457 1053 E N 1.124 121.318 120.200 -0.009 0.000 2.158 1053 E HA 0.655 5.004 4.350 -0.000 0.000 0.271 1053 E C -0.856 175.749 176.600 0.008 0.000 0.911 1053 E CA 0.105 56.504 56.400 -0.002 0.000 0.767 1053 E CB 1.579 31.271 29.700 -0.012 0.000 1.120 1053 E HN 0.870 nan 8.360 nan 0.000 0.405 1054 S N 3.048 118.762 115.700 0.023 0.000 2.595 1054 S HA 0.434 4.904 4.470 -0.000 0.000 0.281 1054 S C -0.466 174.146 174.600 0.020 0.000 1.117 1054 S CA -0.658 57.556 58.200 0.024 0.000 0.873 1054 S CB 1.253 64.496 63.200 0.070 0.000 1.108 1054 S HN 0.598 nan 8.310 nan 0.000 0.477 1055 K N 2.260 122.655 120.400 -0.008 0.000 2.483 1055 K HA 0.367 4.687 4.320 -0.000 0.000 0.206 1055 K C 0.932 177.525 176.600 -0.011 0.000 1.086 1055 K CA 0.045 56.325 56.287 -0.011 0.000 1.052 1055 K CB 0.298 32.776 32.500 -0.035 0.000 0.904 1055 K HN 0.485 nan 8.250 nan 0.000 0.557 1056 I N 0.706 121.262 120.570 -0.023 0.000 2.130 1056 I HA -0.088 4.082 4.170 -0.000 0.000 0.234 1056 I C 0.602 176.783 176.117 0.106 0.000 1.067 1056 I CA 1.046 62.329 61.300 -0.028 0.000 1.339 1056 I CB 0.102 37.970 38.000 -0.220 0.000 1.073 1056 I HN -0.082 nan 8.210 nan 0.000 0.405 1057 T N 0.981 115.642 114.554 0.178 0.000 2.841 1057 T HA 0.425 4.775 4.350 -0.000 0.000 0.283 1057 T C -1.172 173.654 174.700 0.209 0.000 1.000 1057 T CA -0.276 61.979 62.100 0.257 0.000 0.977 1057 T CB 2.027 71.109 68.868 0.357 0.000 0.979 1057 T HN 0.017 nan 8.240 nan 0.000 0.446 1058 F N 3.803 123.774 119.950 0.035 0.000 2.482 1058 F HA 0.771 5.297 4.527 -0.000 0.000 0.331 1058 F C -1.251 174.543 175.800 -0.010 0.000 1.115 1058 F CA -0.981 57.019 58.000 -0.000 0.000 0.955 1058 F CB 0.715 39.703 39.000 -0.019 0.000 1.136 1058 F HN 0.433 nan 8.300 nan 0.000 0.452 1059 I N 4.912 124.880 120.570 -1.004 0.000 2.608 1059 I HA 0.285 4.455 4.170 -0.000 0.000 0.295 1059 I C -1.496 173.989 176.117 -1.053 0.000 1.049 1059 I CA -0.786 60.056 61.300 -0.764 0.000 1.063 1059 I CB 2.128 39.836 38.000 -0.487 0.000 1.248 1059 I HN 0.469 nan 8.210 nan 0.000 0.424 1060 D N 3.995 124.056 120.400 -0.565 0.000 2.420 1060 D HA 0.288 4.928 4.640 -0.000 0.000 0.255 1060 D C 0.908 177.112 176.300 -0.160 0.000 1.185 1060 D CA -0.343 53.474 54.000 -0.305 0.000 0.904 1060 D CB 1.765 42.550 40.800 -0.025 0.000 1.102 1060 D HN 0.699 nan 8.370 nan 0.000 0.534 1061 G N 2.843 111.514 108.800 -0.214 0.000 2.529 1061 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 1061 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 1061 G C 1.078 175.938 174.900 -0.065 0.000 1.177 1061 G CA 0.730 45.717 45.100 -0.189 0.000 0.773 1061 G HN 0.487 nan 8.290 nan 0.000 0.573 1062 D N 0.447 120.817 120.400 -0.049 0.000 2.219 1062 D HA -0.041 4.598 4.640 -0.000 0.000 0.205 1062 D C 2.140 178.430 176.300 -0.016 0.000 0.970 1062 D CA 0.707 54.695 54.000 -0.020 0.000 0.851 1062 D CB -0.017 40.781 40.800 -0.004 0.000 0.943 1062 D HN 0.280 nan 8.370 nan 0.000 0.488 1063 E N -0.164 120.030 120.200 -0.009 0.000 2.479 1063 E HA 0.121 4.470 4.350 -0.000 0.000 0.193 1063 E C 1.068 177.643 176.600 -0.042 0.000 1.049 1063 E CA 0.127 56.536 56.400 0.014 0.000 0.870 1063 E CB 0.474 30.207 29.700 0.056 0.000 0.944 1063 E HN 0.243 nan 8.360 nan 0.000 0.492 1064 G N 2.205 110.930 108.800 -0.125 0.000 2.273 1064 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.280 1064 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.280 1064 G C 0.180 175.003 174.900 -0.128 0.000 1.047 1064 G CA 0.096 44.991 45.100 -0.343 0.000 0.869 1064 G HN 0.144 nan 8.290 nan 0.000 0.502 1065 I N -0.041 120.547 120.570 0.030 0.000 2.331 1065 I HA 0.611 4.781 4.170 -0.000 0.000 0.292 1065 I C 0.064 176.221 176.117 0.066 0.000 0.998 1065 I CA -1.063 60.278 61.300 0.068 0.000 1.267 1065 I CB 1.414 39.508 38.000 0.156 0.000 1.386 1065 I HN 0.152 nan 8.210 nan 0.000 0.476 1066 L N 8.178 129.429 121.223 0.048 0.000 2.441 1066 L HA 0.612 4.952 4.340 -0.000 0.000 0.270 1066 L C -1.643 175.189 176.870 -0.063 0.000 0.973 1066 L CA -0.297 54.547 54.840 0.005 0.000 0.842 1066 L CB 1.515 43.586 42.059 0.020 0.000 1.239 1066 L HN 0.265 nan 8.230 nan 0.000 0.406 1067 L N 4.646 125.841 121.223 -0.046 0.000 2.370 1067 L HA 0.624 4.964 4.340 -0.000 0.000 0.266 1067 L C -0.791 176.010 176.870 -0.115 0.000 1.002 1067 L CA -0.577 54.233 54.840 -0.049 0.000 0.818 1067 L CB 1.918 44.039 42.059 0.104 0.000 1.325 1067 L HN 0.516 nan 8.230 nan 0.000 0.418 1068 H N 4.623 123.776 119.070 0.138 0.000 2.762 1068 H HA 0.437 4.993 4.556 0.000 0.000 0.310 1068 H C -0.150 175.218 175.328 0.066 0.000 1.004 1068 H CA -0.512 55.607 56.048 0.118 0.000 1.267 1068 H CB 1.343 31.190 29.762 0.141 0.000 1.437 1068 H HN 0.359 nan 8.280 nan 0.000 0.498 1069 R N 1.878 122.436 120.500 0.095 0.000 3.525 1069 R HA -0.205 4.135 4.340 -0.000 0.000 0.276 1069 R C 1.097 177.188 176.300 -0.348 0.000 1.116 1069 R CA 0.892 56.945 56.100 -0.078 0.000 0.745 1069 R CB -2.251 28.036 30.300 -0.022 0.000 1.185 1069 R HN 1.173 nan 8.270 nan 0.000 0.454 1070 G N -1.490 107.166 108.800 -0.240 0.000 2.241 1070 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.244 1070 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.244 1070 G C 0.207 174.936 174.900 -0.285 0.000 0.998 1070 G CA 0.243 45.144 45.100 -0.331 0.000 0.621 1070 G HN 0.319 nan 8.290 nan 0.000 0.519 1071 F N 2.179 122.149 119.950 0.034 0.000 2.396 1071 F HA 0.513 5.040 4.527 -0.000 0.000 0.343 1071 F C -1.809 173.992 175.800 0.003 0.000 1.104 1071 F CA -2.391 55.623 58.000 0.023 0.000 1.161 1071 F CB 1.309 40.333 39.000 0.039 0.000 1.146 1071 F HN -0.159 nan 8.300 nan 0.000 0.522 1072 P HA 0.004 nan 4.420 nan 0.000 0.271 1072 P C 0.753 178.087 177.300 0.057 0.000 1.220 1072 P CA -0.015 63.135 63.100 0.083 0.000 0.768 1072 P CB 0.745 32.488 31.700 0.071 0.000 0.848 1073 I N 3.431 123.991 120.570 -0.017 0.000 2.194 1073 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 1073 I C 1.325 177.454 176.117 0.019 0.000 1.093 1073 I CA 1.972 63.267 61.300 -0.010 0.000 1.355 1073 I CB -0.562 37.399 38.000 -0.066 0.000 1.046 1073 I HN 0.313 nan 8.210 nan 0.000 0.413 1074 D N 0.055 120.457 120.400 0.003 0.000 2.133 1074 D HA -0.240 4.400 4.640 -0.000 0.000 0.195 1074 D C 2.216 178.518 176.300 0.003 0.000 0.997 1074 D CA 1.458 55.456 54.000 -0.003 0.000 0.840 1074 D CB -0.316 40.479 40.800 -0.008 0.000 0.947 1074 D HN 0.558 nan 8.370 nan 0.000 0.452 1075 Q N -0.270 119.538 119.800 0.014 0.000 2.079 1075 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 1075 Q C 2.548 178.537 176.000 -0.018 0.000 0.974 1075 Q CA 0.645 56.448 55.803 -0.001 0.000 0.840 1075 Q CB -0.033 28.713 28.738 0.014 0.000 0.898 1075 Q HN 0.322 nan 8.270 nan 0.000 0.430 1076 L N -0.058 121.171 121.223 0.009 0.000 2.056 1076 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 1076 L C 2.427 179.309 176.870 0.019 0.000 1.078 1076 L CA 0.906 55.750 54.840 0.006 0.000 0.749 1076 L CB -0.508 41.604 42.059 0.088 0.000 0.901 1076 L HN 0.182 nan 8.230 nan 0.000 0.433 1077 A N -0.959 121.882 122.820 0.034 0.000 2.067 1077 A HA -0.123 4.196 4.320 -0.000 0.000 0.219 1077 A C 2.248 179.841 177.584 0.015 0.000 1.158 1077 A CA 1.991 54.048 52.037 0.033 0.000 0.661 1077 A CB -0.514 18.502 19.000 0.026 0.000 0.801 1077 A HN 0.393 nan 8.150 nan 0.000 0.452 1078 T N -0.769 113.785 114.554 -0.000 0.000 3.021 1078 T HA 0.029 4.379 4.350 -0.000 0.000 0.245 1078 T C 0.720 175.410 174.700 -0.017 0.000 1.028 1078 T CA 0.933 63.029 62.100 -0.008 0.000 1.139 1078 T CB -0.021 68.838 68.868 -0.014 0.000 0.884 1078 T HN 0.405 nan 8.240 nan 0.000 0.457 1079 D N 1.012 121.392 120.400 -0.034 0.000 2.424 1079 D HA 0.342 4.982 4.640 -0.000 0.000 0.220 1079 D C 0.434 176.691 176.300 -0.072 0.000 1.150 1079 D CA 0.125 54.093 54.000 -0.054 0.000 0.831 1079 D CB 0.768 41.526 40.800 -0.069 0.000 0.981 1079 D HN 0.205 nan 8.370 nan 0.000 0.500 1080 S N 0.383 116.052 115.700 -0.052 0.000 2.971 1080 S HA 0.599 5.069 4.470 -0.000 0.000 0.320 1080 S C -1.340 173.257 174.600 -0.005 0.000 1.111 1080 S CA -0.555 57.610 58.200 -0.059 0.000 0.870 1080 S CB 1.348 64.505 63.200 -0.071 0.000 1.331 1080 S HN 0.240 nan 8.310 nan 0.000 0.635 1081 N N -0.646 118.068 118.700 0.023 0.000 2.708 1081 N HA 0.260 5.000 4.740 -0.000 0.000 0.257 1081 N C -0.177 175.407 175.510 0.124 0.000 1.373 1081 N CA -0.682 52.423 53.050 0.092 0.000 0.843 1081 N CB -0.124 38.432 38.487 0.114 0.000 1.503 1081 N HN 0.512 nan 8.380 nan 0.000 0.504 1082 Y N 0.729 121.025 120.300 -0.005 0.000 2.069 1082 Y HA -0.094 4.456 4.550 -0.000 0.000 0.278 1082 Y C 1.707 177.591 175.900 -0.028 0.000 1.175 1082 Y CA 1.962 60.008 58.100 -0.091 0.000 1.134 1082 Y CB -0.338 37.946 38.460 -0.293 0.000 0.965 1082 Y HN 0.566 nan 8.280 nan 0.000 0.498 1083 L N -0.164 121.083 121.223 0.040 0.000 2.017 1083 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 1083 L C 2.559 179.588 176.870 0.264 0.000 1.073 1083 L CA 2.025 56.969 54.840 0.174 0.000 0.745 1083 L CB -0.721 41.545 42.059 0.346 0.000 0.894 1083 L HN 0.300 nan 8.230 nan 0.000 0.432 1084 E N 0.113 120.495 120.200 0.302 0.000 2.085 1084 E HA -0.210 4.139 4.350 -0.000 0.000 0.194 1084 E C 2.167 178.795 176.600 0.046 0.000 0.994 1084 E CA 1.541 58.057 56.400 0.194 0.000 0.801 1084 E CB 0.098 29.802 29.700 0.008 0.000 0.743 1084 E HN 0.256 nan 8.360 nan 0.000 0.453 1085 V N 0.377 120.276 119.914 -0.026 0.000 2.427 1085 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 1085 V C 2.481 178.483 176.094 -0.154 0.000 1.051 1085 V CA 1.539 63.795 62.300 -0.074 0.000 1.048 1085 V CB -0.362 31.414 31.823 -0.078 0.000 0.666 1085 V HN 0.561 nan 8.190 nan 0.000 0.456 1086 C N -1.011 118.134 119.300 -0.259 0.000 2.429 1086 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 1086 C C 2.597 177.439 174.990 -0.247 0.000 1.262 1086 C CA 1.055 59.916 59.018 -0.261 0.000 1.733 1086 C CB -1.042 26.585 27.740 -0.188 0.000 2.010 1086 C HN 0.688 nan 8.230 nan 0.000 0.483 1087 Y N 1.619 121.627 120.300 -0.487 0.000 2.165 1087 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 1087 Y C 2.169 177.874 175.900 -0.325 0.000 1.155 1087 Y CA 1.488 59.160 58.100 -0.713 0.000 1.164 1087 Y CB -0.458 37.586 38.460 -0.693 0.000 0.978 1087 Y HN 0.297 nan 8.280 nan 0.000 0.513 1088 I N -0.533 120.089 120.570 0.088 0.000 2.113 1088 I HA -0.366 3.804 4.170 -0.000 0.000 0.238 1088 I C 2.380 178.497 176.117 -0.001 0.000 1.070 1088 I CA 1.587 62.962 61.300 0.126 0.000 1.332 1088 I CB -0.603 37.509 38.000 0.187 0.000 1.044 1088 I HN 0.213 nan 8.210 nan 0.000 0.402 1089 L N 0.180 121.367 121.223 -0.060 0.000 2.043 1089 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 1089 L C 2.515 179.306 176.870 -0.133 0.000 1.075 1089 L CA 1.504 56.286 54.840 -0.095 0.000 0.752 1089 L CB -0.539 41.435 42.059 -0.143 0.000 0.891 1089 L HN 0.290 nan 8.230 nan 0.000 0.432 1090 L N -0.777 120.327 121.223 -0.198 0.000 2.072 1090 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 1090 L C 1.931 178.647 176.870 -0.257 0.000 1.079 1090 L CA 0.993 55.695 54.840 -0.231 0.000 0.752 1090 L CB -0.414 41.462 42.059 -0.304 0.000 0.906 1090 L HN 0.362 nan 8.230 nan 0.000 0.436 1091 N N -0.555 117.938 118.700 -0.346 0.000 2.325 1091 N HA 0.052 4.792 4.740 -0.000 0.000 0.182 1091 N C 1.441 176.885 175.510 -0.110 0.000 1.088 1091 N CA 1.004 53.872 53.050 -0.304 0.000 0.879 1091 N CB 1.159 39.263 38.487 -0.639 0.000 0.983 1091 N HN 0.393 nan 8.380 nan 0.000 0.471 1092 G N 0.711 109.477 108.800 -0.057 0.000 2.205 1092 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.261 1092 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.261 1092 G C -0.028 174.905 174.900 0.055 0.000 0.980 1092 G CA 0.336 45.430 45.100 -0.010 0.000 0.632 1092 G HN 0.342 nan 8.290 nan 0.000 0.533 1093 E N -0.196 120.089 120.200 0.141 0.000 2.429 1093 E HA 0.400 4.750 4.350 -0.000 0.000 0.276 1093 E C -0.163 176.617 176.600 0.300 0.000 0.953 1093 E CA -0.757 55.773 56.400 0.217 0.000 0.787 1093 E CB 1.295 31.094 29.700 0.164 0.000 1.307 1093 E HN 0.544 nan 8.360 nan 0.000 0.458 1094 K N 0.863 121.411 120.400 0.246 0.000 2.237 1094 K HA 0.406 4.726 4.320 -0.000 0.000 0.270 1094 K C -2.218 174.330 176.600 -0.087 0.000 1.015 1094 K CA -1.224 55.099 56.287 0.061 0.000 0.949 1094 K CB 0.212 32.684 32.500 -0.047 0.000 0.976 1094 K HN 0.111 nan 8.250 nan 0.000 0.472 1095 P HA 0.087 nan 4.420 nan 0.000 0.278 1095 P C -0.673 176.465 177.300 -0.269 0.000 1.266 1095 P CA -0.451 62.267 63.100 -0.637 0.000 0.807 1095 P CB 0.934 31.897 31.700 -1.229 0.000 1.094 1096 T N 0.694 115.144 114.554 -0.173 0.000 2.902 1096 T HA 0.076 4.426 4.350 -0.000 0.000 0.280 1096 T C 1.296 175.974 174.700 -0.035 0.000 0.992 1096 T CA -0.054 62.004 62.100 -0.071 0.000 1.015 1096 T CB 0.832 69.690 68.868 -0.017 0.000 1.044 1096 T HN 0.371 nan 8.240 nan 0.000 0.520 1097 Q N 0.533 120.326 119.800 -0.011 0.000 2.152 1097 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 1097 Q C 1.723 177.787 176.000 0.106 0.000 0.985 1097 Q CA 1.926 57.754 55.803 0.043 0.000 0.863 1097 Q CB -0.145 28.606 28.738 0.022 0.000 0.904 1097 Q HN 0.635 nan 8.270 nan 0.000 0.422 1098 E N -0.202 120.039 120.200 0.068 0.000 2.046 1098 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 1098 E C 2.035 178.696 176.600 0.102 0.000 0.982 1098 E CA 1.406 57.853 56.400 0.079 0.000 0.800 1098 E CB -0.118 29.617 29.700 0.059 0.000 0.756 1098 E HN 0.481 nan 8.360 nan 0.000 0.449 1099 Q N -0.753 119.098 119.800 0.084 0.000 2.084 1099 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 1099 Q C 1.963 178.053 176.000 0.150 0.000 0.978 1099 Q CA 1.497 57.376 55.803 0.127 0.000 0.844 1099 Q CB -0.273 28.499 28.738 0.057 0.000 0.898 1099 Q HN 0.388 nan 8.270 nan 0.000 0.426 1100 Y N 1.929 122.178 120.300 -0.084 0.000 2.145 1100 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 1100 Y C 1.681 177.679 175.900 0.163 0.000 1.145 1100 Y CA 1.701 59.797 58.100 -0.006 0.000 1.148 1100 Y CB -0.013 38.390 38.460 -0.094 0.000 0.981 1100 Y HN 0.067 nan 8.280 nan 0.000 0.507 1101 D N 0.215 120.697 120.400 0.136 0.000 2.178 1101 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 1101 D C 1.980 178.295 176.300 0.024 0.000 0.980 1101 D CA 1.502 55.530 54.000 0.047 0.000 0.842 1101 D CB -0.285 40.584 40.800 0.116 0.000 0.948 1101 D HN 0.636 nan 8.370 nan 0.000 0.472 1102 E N -0.328 119.928 120.200 0.093 0.000 2.047 1102 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 1102 E C 2.023 178.698 176.600 0.124 0.000 0.987 1102 E CA 0.445 56.905 56.400 0.101 0.000 0.799 1102 E CB -0.166 29.620 29.700 0.144 0.000 0.752 1102 E HN 0.165 nan 8.360 nan 0.000 0.449 1103 F N 2.161 122.150 119.950 0.066 0.000 2.069 1103 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 1103 F C 2.365 178.188 175.800 0.039 0.000 1.113 1103 F CA 2.135 60.223 58.000 0.147 0.000 1.214 1103 F CB -0.303 38.877 39.000 0.300 0.000 0.978 1103 F HN -0.108 nan 8.300 nan 0.000 0.474 1104 K N -0.583 119.732 120.400 -0.142 0.000 2.103 1104 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 1104 K C 1.928 178.432 176.600 -0.159 0.000 1.048 1104 K CA 2.013 58.147 56.287 -0.255 0.000 0.930 1104 K CB -0.421 31.864 32.500 -0.358 0.000 0.716 1104 K HN 0.305 nan 8.250 nan 0.000 0.444 1105 T N 0.305 114.794 114.554 -0.107 0.000 2.746 1105 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 1105 T C 1.735 176.375 174.700 -0.099 0.000 1.039 1105 T CA 1.883 63.938 62.100 -0.076 0.000 1.142 1105 T CB -0.361 68.480 68.868 -0.045 0.000 0.866 1105 T HN 0.376 nan 8.240 nan 0.000 0.444 1106 T N 1.800 116.264 114.554 -0.151 0.000 2.777 1106 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 1106 T C 2.180 176.835 174.700 -0.075 0.000 1.040 1106 T CA 0.785 62.764 62.100 -0.201 0.000 1.141 1106 T CB -0.499 68.034 68.868 -0.558 0.000 0.868 1106 T HN 0.139 nan 8.240 nan 0.000 0.444 1107 V N 2.401 122.233 119.914 -0.136 0.000 2.261 1107 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 1107 V C 3.050 179.162 176.094 0.031 0.000 1.047 1107 V CA 2.261 64.546 62.300 -0.026 0.000 1.015 1107 V CB -1.351 30.386 31.823 -0.143 0.000 0.642 1107 V HN 0.725 nan 8.190 nan 0.000 0.446 1108 T N -1.067 113.479 114.554 -0.014 0.000 2.929 1108 T HA -0.190 4.160 4.350 -0.000 0.000 0.271 1108 T C 1.660 176.341 174.700 -0.033 0.000 1.085 1108 T CA 1.055 63.151 62.100 -0.007 0.000 1.125 1108 T CB -0.398 68.464 68.868 -0.011 0.000 0.874 1108 T HN 0.489 nan 8.240 nan 0.000 0.494 1109 R N 0.173 120.626 120.500 -0.078 0.000 2.320 1109 R HA 0.164 4.504 4.340 -0.000 0.000 0.211 1109 R C 0.896 176.964 176.300 -0.386 0.000 0.931 1109 R CA 0.320 56.294 56.100 -0.209 0.000 1.071 1109 R CB 0.018 30.158 30.300 -0.266 0.000 1.025 1109 R HN 0.592 nan 8.270 nan 0.000 0.495 1110 H N -0.883 118.174 119.070 -0.022 0.000 2.916 1110 H HA 0.078 4.634 4.556 -0.000 0.000 0.262 1110 H C 1.386 176.716 175.328 0.003 0.000 1.178 1110 H CA 0.427 56.472 56.048 -0.005 0.000 1.090 1110 H CB 1.030 30.784 29.762 -0.014 0.000 1.657 1110 H HN 0.172 nan 8.280 nan 0.000 0.601 1111 T N -1.773 112.825 114.554 0.073 0.000 2.962 1111 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 1111 T C 1.122 175.853 174.700 0.050 0.000 1.088 1111 T CA 0.269 62.397 62.100 0.048 0.000 1.127 1111 T CB 0.289 69.168 68.868 0.017 0.000 0.883 1111 T HN 0.081 nan 8.240 nan 0.000 0.493 1112 M N 1.266 120.911 119.600 0.074 0.000 2.233 1112 M HA 0.455 4.935 4.480 -0.000 0.000 0.350 1112 M C -0.897 175.481 176.300 0.130 0.000 1.176 1112 M CA -0.407 54.960 55.300 0.112 0.000 1.150 1112 M CB 0.450 33.128 32.600 0.130 0.000 1.530 1112 M HN 0.130 nan 8.290 nan 0.000 0.459 1113 I N 3.193 123.830 120.570 0.111 0.000 2.428 1113 I HA 0.195 4.365 4.170 -0.000 0.000 0.296 1113 I C -0.064 176.150 176.117 0.161 0.000 0.985 1113 I CA -0.790 60.598 61.300 0.146 0.000 1.260 1113 I CB 1.205 39.238 38.000 0.054 0.000 1.389 1113 I HN 0.650 nan 8.210 nan 0.000 0.484 1114 H N 5.017 124.137 119.070 0.083 0.000 3.064 1114 H HA -0.062 4.494 4.556 -0.000 0.000 0.329 1114 H C 0.957 176.262 175.328 -0.037 0.000 1.020 1114 H CA 0.591 56.620 56.048 -0.032 0.000 1.402 1114 H CB 0.851 30.467 29.762 -0.243 0.000 1.379 1114 H HN 0.505 nan 8.280 nan 0.000 0.594 1115 E N 3.385 123.439 120.200 -0.243 0.000 2.153 1115 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 1115 E C 1.840 178.476 176.600 0.060 0.000 0.988 1115 E CA 0.972 57.337 56.400 -0.059 0.000 0.811 1115 E CB -0.030 29.615 29.700 -0.093 0.000 0.746 1115 E HN 0.700 nan 8.360 nan 0.000 0.466 1116 Q N 0.727 120.648 119.800 0.203 0.000 2.124 1116 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 1116 Q C 2.067 178.112 176.000 0.076 0.000 0.977 1116 Q CA 0.973 56.938 55.803 0.271 0.000 0.850 1116 Q CB -0.279 28.783 28.738 0.539 0.000 0.901 1116 Q HN 0.329 nan 8.270 nan 0.000 0.429 1117 I N -0.457 120.008 120.570 -0.175 0.000 2.361 1117 I HA -0.255 3.914 4.170 -0.000 0.000 0.251 1117 I C 1.782 177.936 176.117 0.061 0.000 1.133 1117 I CA 1.361 62.484 61.300 -0.294 0.000 1.413 1117 I CB -0.391 37.369 38.000 -0.400 0.000 1.073 1117 I HN 0.172 nan 8.210 nan 0.000 0.424 1118 T N 0.512 115.159 114.554 0.156 0.000 2.833 1118 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 1118 T C 2.009 176.964 174.700 0.426 0.000 1.054 1118 T CA 0.984 63.272 62.100 0.313 0.000 1.135 1118 T CB -0.142 68.894 68.868 0.280 0.000 0.869 1118 T HN 0.225 nan 8.240 nan 0.000 0.466 1119 R N 0.676 121.355 120.500 0.298 0.000 2.115 1119 R HA 0.099 4.439 4.340 -0.000 0.000 0.230 1119 R C 2.282 178.734 176.300 0.254 0.000 1.111 1119 R CA 0.607 56.880 56.100 0.288 0.000 0.976 1119 R CB -1.114 29.302 30.300 0.193 0.000 0.870 1119 R HN 0.323 nan 8.270 nan 0.000 0.445 1120 L N 0.193 121.526 121.223 0.183 0.000 2.083 1120 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 1120 L C 1.922 178.876 176.870 0.141 0.000 1.083 1120 L CA 1.470 56.378 54.840 0.113 0.000 0.752 1120 L CB -0.698 41.397 42.059 0.060 0.000 0.899 1120 L HN -0.067 nan 8.230 nan 0.000 0.433 1121 F N -0.040 119.940 119.950 0.050 0.000 2.095 1121 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 1121 F C 2.372 177.976 175.800 -0.327 0.000 1.104 1121 F CA 2.130 60.032 58.000 -0.164 0.000 1.232 1121 F CB -0.616 38.204 39.000 -0.300 0.000 0.987 1121 F HN 0.281 nan 8.300 nan 0.000 0.475 1122 H N -1.495 117.700 119.070 0.209 0.000 2.563 1122 H HA 0.124 4.680 4.556 -0.000 0.000 0.272 1122 H C 1.891 177.339 175.328 0.200 0.000 1.005 1122 H CA 0.573 56.772 56.048 0.251 0.000 1.171 1122 H CB -0.050 29.868 29.762 0.261 0.000 1.351 1122 H HN 0.234 nan 8.280 nan 0.000 0.602 1123 A N -0.098 122.831 122.820 0.182 0.000 2.147 1123 A HA 0.108 4.428 4.320 -0.000 0.000 0.211 1123 A C 0.309 177.870 177.584 -0.039 0.000 1.160 1123 A CA -0.174 51.888 52.037 0.041 0.000 0.781 1123 A CB -0.088 18.863 19.000 -0.081 0.000 0.842 1123 A HN 0.138 nan 8.150 nan 0.000 0.475 1124 F N 1.076 121.034 119.950 0.013 0.000 2.450 1124 F HA 0.307 4.834 4.527 -0.000 0.000 0.339 1124 F C 1.183 177.105 175.800 0.203 0.000 1.146 1124 F CA -0.225 57.798 58.000 0.040 0.000 1.267 1124 F CB 0.639 39.594 39.000 -0.075 0.000 1.178 1124 F HN 0.062 nan 8.300 nan 0.000 0.585 1125 R N 2.134 122.850 120.500 0.360 0.000 2.590 1125 R HA 0.089 4.429 4.340 -0.000 0.000 0.274 1125 R C 1.257 177.778 176.300 0.367 0.000 1.061 1125 R CA -0.568 55.706 56.100 0.291 0.000 1.081 1125 R CB 0.479 30.898 30.300 0.199 0.000 0.984 1125 R HN 0.570 nan 8.270 nan 0.000 0.448 1126 R N 1.763 122.394 120.500 0.219 0.000 2.152 1126 R HA -0.133 4.206 4.340 -0.000 0.000 0.232 1126 R C 0.880 177.210 176.300 0.051 0.000 1.117 1126 R CA 1.605 57.726 56.100 0.035 0.000 0.981 1126 R CB -0.276 29.963 30.300 -0.102 0.000 0.870 1126 R HN 0.717 nan 8.270 nan 0.000 0.451 1127 D N -0.729 119.725 120.400 0.089 0.000 2.328 1127 D HA 0.006 4.646 4.640 -0.000 0.000 0.226 1127 D C -0.195 176.181 176.300 0.126 0.000 1.066 1127 D CA -0.151 53.895 54.000 0.077 0.000 0.861 1127 D CB -0.049 40.791 40.800 0.067 0.000 0.912 1127 D HN -0.263 nan 8.370 nan 0.000 0.521 1128 S N 0.149 115.961 115.700 0.185 0.000 2.560 1128 S HA -0.022 4.448 4.470 -0.000 0.000 0.284 1128 S C 0.008 174.703 174.600 0.158 0.000 1.327 1128 S CA -0.389 57.938 58.200 0.211 0.000 1.055 1128 S CB 0.126 63.481 63.200 0.257 0.000 0.868 1128 S HN 0.520 nan 8.310 nan 0.000 0.506 1129 H N 3.770 122.904 119.070 0.107 0.000 2.803 1129 H HA 0.161 4.717 4.556 -0.000 0.000 0.330 1129 H C -1.824 173.457 175.328 -0.078 0.000 1.057 1129 H CA -1.364 54.718 56.048 0.056 0.000 1.458 1129 H CB 0.649 30.518 29.762 0.177 0.000 1.470 1129 H HN 0.295 nan 8.280 nan 0.000 0.560 1130 P HA -0.282 nan 4.420 nan 0.000 0.218 1130 P C 1.405 178.590 177.300 -0.193 0.000 1.154 1130 P CA 1.505 64.475 63.100 -0.217 0.000 0.872 1130 P CB 0.091 31.633 31.700 -0.263 0.000 0.790 1131 M N -0.866 118.656 119.600 -0.129 0.000 2.175 1131 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 1131 M C 1.895 177.787 176.300 -0.681 0.000 1.063 1131 M CA 1.703 56.666 55.300 -0.563 0.000 1.119 1131 M CB -1.163 30.643 32.600 -1.323 0.000 1.377 1131 M HN -0.150 nan 8.290 nan 0.000 0.415 1132 A N -1.133 121.363 122.820 -0.541 0.000 1.898 1132 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 1132 A C 2.139 179.590 177.584 -0.220 0.000 1.181 1132 A CA 1.832 53.756 52.037 -0.188 0.000 0.620 1132 A CB -1.135 17.973 19.000 0.179 0.000 0.819 1132 A HN 0.344 nan 8.150 nan 0.000 0.442 1133 V N -0.523 119.173 119.914 -0.362 0.000 2.343 1133 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 1133 V C 2.576 178.318 176.094 -0.586 0.000 1.051 1133 V CA 2.329 64.163 62.300 -0.777 0.000 1.036 1133 V CB -0.679 30.759 31.823 -0.641 0.000 0.654 1133 V HN 0.682 nan 8.190 nan 0.000 0.451 1134 M N -0.511 118.884 119.600 -0.342 0.000 2.108 1134 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 1134 M C 2.136 178.332 176.300 -0.175 0.000 1.066 1134 M CA 2.163 57.327 55.300 -0.226 0.000 1.107 1134 M CB -0.535 31.966 32.600 -0.164 0.000 1.356 1134 M HN 0.409 nan 8.290 nan 0.000 0.406 1135 C N -0.174 119.036 119.300 -0.149 0.000 2.446 1135 C HA 0.011 4.470 4.460 -0.000 0.000 0.277 1135 C C 2.760 177.733 174.990 -0.029 0.000 1.275 1135 C CA 0.816 59.811 59.018 -0.037 0.000 1.727 1135 C CB -1.963 25.809 27.740 0.054 0.000 2.010 1135 C HN 0.789 nan 8.230 nan 0.000 0.486 1136 G N 0.935 109.690 108.800 -0.074 0.000 2.446 1136 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 1136 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 1136 G C 1.384 176.280 174.900 -0.007 0.000 1.168 1136 G CA 0.919 46.058 45.100 0.065 0.000 0.771 1136 G HN 0.380 nan 8.290 nan 0.000 0.551 1137 I N 1.233 121.654 120.570 -0.249 0.000 2.163 1137 I HA -0.097 4.073 4.170 -0.000 0.000 0.240 1137 I C 2.963 179.011 176.117 -0.115 0.000 1.081 1137 I CA 1.566 62.703 61.300 -0.271 0.000 1.353 1137 I CB -1.689 35.980 38.000 -0.551 0.000 1.054 1137 I HN 0.114 nan 8.210 nan 0.000 0.407 1138 T N 1.121 115.630 114.554 -0.076 0.000 2.699 1138 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 1138 T C 1.857 176.590 174.700 0.054 0.000 1.036 1138 T CA 1.631 63.736 62.100 0.009 0.000 1.147 1138 T CB -0.804 68.090 68.868 0.042 0.000 0.862 1138 T HN 0.550 nan 8.240 nan 0.000 0.446 1139 G N 0.397 109.226 108.800 0.049 0.000 2.559 1139 G HA2 0.136 4.096 3.960 -0.000 0.000 0.216 1139 G HA3 0.136 4.096 3.960 -0.000 0.000 0.216 1139 G C 1.403 176.352 174.900 0.081 0.000 1.126 1139 G CA 0.660 45.805 45.100 0.075 0.000 0.778 1139 G HN 0.601 nan 8.290 nan 0.000 0.543 1140 A N -0.050 122.813 122.820 0.071 0.000 2.267 1140 A HA 0.441 4.761 4.320 -0.000 0.000 0.213 1140 A C 2.129 179.803 177.584 0.150 0.000 1.192 1140 A CA -0.126 51.978 52.037 0.112 0.000 0.851 1140 A CB -0.038 19.045 19.000 0.140 0.000 0.881 1140 A HN 0.302 nan 8.150 nan 0.000 0.494 1141 L N -0.695 120.541 121.223 0.022 0.000 2.083 1141 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 1141 L C 2.973 179.721 176.870 -0.202 0.000 1.083 1141 L CA 1.169 55.917 54.840 -0.152 0.000 0.752 1141 L CB -0.579 41.133 42.059 -0.579 0.000 0.899 1141 L HN 0.434 nan 8.230 nan 0.000 0.433 1142 A N 0.227 123.016 122.820 -0.051 0.000 2.024 1142 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 1142 A C 2.507 180.145 177.584 0.090 0.000 1.164 1142 A CA 1.625 53.747 52.037 0.142 0.000 0.643 1142 A CB -0.515 18.643 19.000 0.264 0.000 0.806 1142 A HN 0.418 nan 8.150 nan 0.000 0.451 1143 A N -1.518 121.309 122.820 0.012 0.000 2.015 1143 A HA 0.195 4.515 4.320 -0.000 0.000 0.219 1143 A C 1.764 179.146 177.584 -0.336 0.000 1.163 1143 A CA 1.261 53.191 52.037 -0.178 0.000 0.646 1143 A CB -0.442 18.372 19.000 -0.312 0.000 0.806 1143 A HN 0.471 nan 8.150 nan 0.000 0.448 1144 F N -2.388 117.474 119.950 -0.147 0.000 2.293 1144 F HA 0.180 4.707 4.527 -0.000 0.000 0.272 1144 F C 0.765 176.372 175.800 -0.321 0.000 1.053 1144 F CA 0.224 58.035 58.000 -0.314 0.000 1.152 1144 F CB -0.738 37.932 39.000 -0.550 0.000 1.119 1144 F HN 0.072 nan 8.300 nan 0.000 0.564 1145 Y N 1.989 122.296 120.300 0.013 0.000 3.168 1145 Y HA -0.018 4.532 4.550 -0.000 0.000 0.373 1145 Y C 1.537 177.459 175.900 0.037 0.000 1.073 1145 Y CA -0.137 57.931 58.100 -0.053 0.000 2.070 1145 Y CB -1.807 36.575 38.460 -0.131 0.000 2.252 1145 Y HN 0.262 nan 8.280 nan 0.000 0.404 1146 H N -1.725 117.413 119.070 0.113 0.000 2.563 1146 H HA -0.041 4.515 4.556 -0.000 0.000 0.272 1146 H C 0.794 176.213 175.328 0.151 0.000 1.005 1146 H CA 0.843 56.967 56.048 0.126 0.000 1.171 1146 H CB -0.192 29.592 29.762 0.036 0.000 1.351 1146 H HN 0.372 nan 8.280 nan 0.000 0.602 1147 D N 0.281 120.574 120.400 -0.179 0.000 2.319 1147 D HA -0.013 4.627 4.640 -0.000 0.000 0.230 1147 D C 0.267 176.479 176.300 -0.147 0.000 1.094 1147 D CA 0.407 54.342 54.000 -0.109 0.000 0.856 1147 D CB -0.323 40.351 40.800 -0.211 0.000 0.915 1147 D HN 0.434 nan 8.370 nan 0.000 0.517 1148 S N -0.235 115.506 115.700 0.069 0.000 2.539 1148 S HA 0.332 4.802 4.470 -0.000 0.000 0.185 1148 S C 0.253 175.033 174.600 0.300 0.000 1.181 1148 S CA -0.746 57.486 58.200 0.053 0.000 1.216 1148 S CB -0.826 62.395 63.200 0.036 0.000 1.476 1148 S HN 0.170 nan 8.310 nan 0.000 0.395 1149 L N -0.101 121.375 121.223 0.422 0.000 2.966 1149 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 1149 L C 0.229 177.250 176.870 0.251 0.000 1.165 1149 L CA -0.194 54.831 54.840 0.308 0.000 0.978 1149 L CB 0.290 42.527 42.059 0.296 0.000 1.337 1149 L HN 0.360 nan 8.230 nan 0.000 0.563 1150 D N 1.672 122.225 120.400 0.255 0.000 2.483 1150 D HA 0.070 4.710 4.640 -0.000 0.000 0.220 1150 D C 1.420 177.729 176.300 0.015 0.000 1.173 1150 D CA -0.005 53.995 54.000 0.000 0.000 0.964 1150 D CB 1.315 41.886 40.800 -0.381 0.000 1.046 1150 D HN 0.068 nan 8.370 nan 0.000 0.517 1151 V N 1.765 121.714 119.914 0.058 0.000 2.867 1151 V HA -0.109 4.011 4.120 -0.000 0.000 0.260 1151 V C 1.276 177.148 176.094 -0.371 0.000 1.099 1151 V CA 1.130 63.406 62.300 -0.039 0.000 1.122 1151 V CB -0.387 31.504 31.823 0.113 0.000 0.708 1151 V HN 0.342 nan 8.190 nan 0.000 0.490 1152 N N 1.031 119.593 118.700 -0.229 0.000 2.280 1152 N HA 0.065 4.805 4.740 -0.000 0.000 0.192 1152 N C 0.411 175.818 175.510 -0.171 0.000 1.109 1152 N CA 0.225 53.135 53.050 -0.234 0.000 0.855 1152 N CB -0.120 38.282 38.487 -0.141 0.000 0.974 1152 N HN 0.585 nan 8.380 nan 0.000 0.482 1153 N N 1.767 120.374 118.700 -0.154 0.000 2.500 1153 N HA 0.198 4.938 4.740 -0.000 0.000 0.236 1153 N C -1.996 173.501 175.510 -0.021 0.000 1.022 1153 N CA -1.855 51.126 53.050 -0.115 0.000 0.935 1153 N CB 1.575 39.906 38.487 -0.260 0.000 1.147 1153 N HN -0.119 nan 8.380 nan 0.000 0.512 1154 P HA -0.191 nan 4.420 nan 0.000 0.218 1154 P C 1.217 178.568 177.300 0.085 0.000 1.147 1154 P CA 1.182 64.291 63.100 0.014 0.000 0.827 1154 P CB 0.288 31.988 31.700 0.002 0.000 0.778 1155 R N -1.337 119.239 120.500 0.127 0.000 2.073 1155 R HA -0.146 4.194 4.340 -0.000 0.000 0.229 1155 R C 2.016 178.441 176.300 0.209 0.000 1.120 1155 R CA 1.392 57.591 56.100 0.166 0.000 0.967 1155 R CB -0.530 29.880 30.300 0.183 0.000 0.862 1155 R HN 0.224 nan 8.270 nan 0.000 0.436 1156 H N 0.015 119.121 119.070 0.060 0.000 2.389 1156 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 1156 H C 2.096 177.482 175.328 0.097 0.000 1.081 1156 H CA 1.596 57.692 56.048 0.079 0.000 1.345 1156 H CB 0.043 29.852 29.762 0.078 0.000 1.393 1156 H HN 0.169 nan 8.280 nan 0.000 0.520 1157 R N 0.082 120.724 120.500 0.237 0.000 2.075 1157 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 1157 R C 2.214 178.635 176.300 0.201 0.000 1.126 1157 R CA 1.435 57.690 56.100 0.259 0.000 0.963 1157 R CB -0.015 30.390 30.300 0.176 0.000 0.858 1157 R HN 0.468 nan 8.270 nan 0.000 0.435 1158 E N 1.125 121.423 120.200 0.164 0.000 2.072 1158 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 1158 E C 1.887 178.631 176.600 0.240 0.000 0.982 1158 E CA 0.909 57.423 56.400 0.189 0.000 0.803 1158 E CB -0.004 29.832 29.700 0.227 0.000 0.755 1158 E HN 0.257 nan 8.360 nan 0.000 0.453 1159 I N 0.982 121.644 120.570 0.154 0.000 2.286 1159 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 1159 I C 2.505 178.649 176.117 0.046 0.000 1.115 1159 I CA 0.995 62.340 61.300 0.076 0.000 1.392 1159 I CB -0.309 37.688 38.000 -0.005 0.000 1.065 1159 I HN 0.242 nan 8.210 nan 0.000 0.418 1160 A N 0.702 123.533 122.820 0.019 0.000 1.872 1160 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 1160 A C 2.570 180.076 177.584 -0.130 0.000 1.187 1160 A CA 1.545 53.514 52.037 -0.115 0.000 0.614 1160 A CB -0.840 17.984 19.000 -0.293 0.000 0.826 1160 A HN 0.392 nan 8.150 nan 0.000 0.442 1161 A N -1.262 121.511 122.820 -0.079 0.000 1.940 1161 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 1161 A C 1.953 179.453 177.584 -0.140 0.000 1.176 1161 A CA 1.686 53.653 52.037 -0.117 0.000 0.631 1161 A CB -0.725 18.215 19.000 -0.100 0.000 0.814 1161 A HN 0.457 nan 8.150 nan 0.000 0.446 1162 F N -0.476 119.434 119.950 -0.066 0.000 2.163 1162 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 1162 F C 2.512 178.230 175.800 -0.136 0.000 1.094 1162 F CA 1.415 59.346 58.000 -0.115 0.000 1.290 1162 F CB -0.315 38.564 39.000 -0.201 0.000 1.017 1162 F HN 0.092 nan 8.300 nan 0.000 0.483 1163 R N -0.025 120.493 120.500 0.030 0.000 2.091 1163 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 1163 R C 2.196 178.508 176.300 0.019 0.000 1.136 1163 R CA 1.470 57.551 56.100 -0.032 0.000 0.959 1163 R CB -0.676 29.581 30.300 -0.071 0.000 0.856 1163 R HN 0.297 nan 8.270 nan 0.000 0.437 1164 L N 0.035 121.287 121.223 0.047 0.000 2.056 1164 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 1164 L C 2.301 179.216 176.870 0.075 0.000 1.078 1164 L CA 0.707 55.587 54.840 0.068 0.000 0.749 1164 L CB -0.357 41.715 42.059 0.023 0.000 0.901 1164 L HN 0.187 nan 8.230 nan 0.000 0.433 1165 L N -0.949 120.312 121.223 0.063 0.000 2.083 1165 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 1165 L C 2.524 179.493 176.870 0.165 0.000 1.083 1165 L CA 1.705 56.612 54.840 0.112 0.000 0.752 1165 L CB -0.397 41.688 42.059 0.044 0.000 0.899 1165 L HN 0.106 nan 8.230 nan 0.000 0.433 1166 S N -0.791 114.982 115.700 0.122 0.000 2.362 1166 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 1166 S C 1.817 176.452 174.600 0.058 0.000 1.032 1166 S CA 1.155 59.420 58.200 0.109 0.000 0.973 1166 S CB -0.067 63.211 63.200 0.131 0.000 0.849 1166 S HN 0.455 nan 8.310 nan 0.000 0.465 1167 K N 0.560 120.984 120.400 0.039 0.000 2.243 1167 K HA 0.185 4.505 4.320 -0.000 0.000 0.201 1167 K C 1.976 178.582 176.600 0.010 0.000 1.051 1167 K CA 0.422 56.715 56.287 0.010 0.000 0.970 1167 K CB -0.124 32.361 32.500 -0.024 0.000 0.755 1167 K HN 0.194 nan 8.250 nan 0.000 0.465 1168 M N 0.916 120.538 119.600 0.037 0.000 2.089 1168 M HA -0.124 4.356 4.480 -0.000 0.000 0.257 1168 M C -0.867 175.420 176.300 -0.021 0.000 1.071 1168 M CA 1.870 57.188 55.300 0.030 0.000 1.096 1168 M CB -1.896 30.743 32.600 0.066 0.000 1.330 1168 M HN -0.068 nan 8.290 nan 0.000 0.403 1169 P HA -0.073 nan 4.420 nan 0.000 0.217 1169 P C 1.456 178.755 177.300 -0.001 0.000 1.150 1169 P CA 1.432 64.453 63.100 -0.130 0.000 0.832 1169 P CB -0.277 31.228 31.700 -0.324 0.000 0.787 1170 T N -0.742 113.785 114.554 -0.044 0.000 2.674 1170 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 1170 T C 1.817 176.453 174.700 -0.107 0.000 1.039 1170 T CA 1.447 63.501 62.100 -0.076 0.000 1.150 1170 T CB -0.806 68.017 68.868 -0.074 0.000 0.864 1170 T HN 0.088 nan 8.240 nan 0.000 0.427 1171 M N 0.980 120.553 119.600 -0.045 0.000 2.175 1171 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 1171 M C 2.844 179.154 176.300 0.016 0.000 1.063 1171 M CA 1.381 56.691 55.300 0.017 0.000 1.119 1171 M CB -0.502 32.139 32.600 0.069 0.000 1.377 1171 M HN 0.317 nan 8.290 nan 0.000 0.415 1172 A N 0.577 123.408 122.820 0.019 0.000 1.902 1172 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 1172 A C 2.389 180.028 177.584 0.091 0.000 1.181 1172 A CA 1.967 54.036 52.037 0.054 0.000 0.623 1172 A CB -0.917 18.105 19.000 0.035 0.000 0.818 1172 A HN 0.488 nan 8.150 nan 0.000 0.443 1173 A N -0.662 122.215 122.820 0.094 0.000 1.898 1173 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 1173 A C 2.229 179.738 177.584 -0.126 0.000 1.181 1173 A CA 1.804 53.811 52.037 -0.049 0.000 0.620 1173 A CB -0.536 18.373 19.000 -0.152 0.000 0.819 1173 A HN 0.518 nan 8.150 nan 0.000 0.442 1174 M N -1.122 118.288 119.600 -0.316 0.000 2.213 1174 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 1174 M C 2.232 178.308 176.300 -0.374 0.000 1.062 1174 M CA 1.074 55.966 55.300 -0.680 0.000 1.105 1174 M CB -0.601 31.012 32.600 -1.645 0.000 1.385 1174 M HN 0.552 nan 8.290 nan 0.000 0.417 1175 C N -0.909 118.328 119.300 -0.105 0.000 2.429 1175 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 1175 C C 2.604 177.645 174.990 0.084 0.000 1.262 1175 C CA 0.718 59.785 59.018 0.080 0.000 1.733 1175 C CB -0.918 26.852 27.740 0.050 0.000 2.010 1175 C HN 0.576 nan 8.230 nan 0.000 0.483 1176 Y N 1.907 122.157 120.300 -0.084 0.000 2.109 1176 Y HA -0.186 4.364 4.550 0.000 0.000 0.285 1176 Y C 2.483 178.338 175.900 -0.075 0.000 1.131 1176 Y CA 1.580 59.610 58.100 -0.117 0.000 1.121 1176 Y CB -0.234 38.099 38.460 -0.212 0.000 0.987 1176 Y HN 0.045 nan 8.280 nan 0.000 0.495 1177 K N 0.152 120.417 120.400 -0.224 0.000 2.034 1177 K HA -0.311 4.009 4.320 -0.000 0.000 0.214 1177 K C 1.976 178.471 176.600 -0.176 0.000 1.051 1177 K CA 2.218 58.353 56.287 -0.254 0.000 0.931 1177 K CB -1.465 31.045 32.500 0.016 0.000 0.715 1177 K HN 0.559 nan 8.250 nan 0.000 0.446 1178 Y N 2.091 122.362 120.300 -0.049 0.000 2.151 1178 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 1178 Y C 2.586 178.422 175.900 -0.107 0.000 1.166 1178 Y CA 2.361 60.437 58.100 -0.040 0.000 1.163 1178 Y CB -0.253 38.285 38.460 0.130 0.000 0.974 1178 Y HN 0.259 nan 8.280 nan 0.000 0.511 1179 S N 0.088 115.735 115.700 -0.089 0.000 2.447 1179 S HA -0.170 4.300 4.470 -0.000 0.000 0.233 1179 S C 1.591 176.035 174.600 -0.261 0.000 1.006 1179 S CA 1.231 59.337 58.200 -0.156 0.000 0.957 1179 S CB -1.110 62.033 63.200 -0.095 0.000 0.773 1179 S HN 0.667 nan 8.310 nan 0.000 0.507 1180 I N -3.226 117.126 120.570 -0.362 0.000 4.018 1180 I HA 0.575 4.745 4.170 -0.000 0.000 0.337 1180 I C 1.272 177.217 176.117 -0.287 0.000 1.327 1180 I CA 0.029 61.129 61.300 -0.333 0.000 1.100 1180 I CB -0.257 37.472 38.000 -0.450 0.000 1.025 1180 I HN 0.298 nan 8.210 nan 0.000 0.396 1181 G N 1.743 110.347 108.800 -0.326 0.000 2.176 1181 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.252 1181 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.252 1181 G C -0.129 174.624 174.900 -0.244 0.000 1.024 1181 G CA 0.104 45.028 45.100 -0.293 0.000 0.755 1181 G HN 0.634 nan 8.290 nan 0.000 0.507 1182 Q N 0.191 119.836 119.800 -0.258 0.000 2.257 1182 Q HA 0.495 4.835 4.340 -0.000 0.000 0.262 1182 Q C -2.210 173.642 176.000 -0.246 0.000 0.997 1182 Q CA -2.005 53.674 55.803 -0.207 0.000 0.873 1182 Q CB 2.240 30.873 28.738 -0.176 0.000 1.312 1182 Q HN 0.268 nan 8.270 nan 0.000 0.450 1183 P HA 0.011 nan 4.420 nan 0.000 0.269 1183 P C -0.838 176.354 177.300 -0.180 0.000 1.209 1183 P CA 0.037 62.982 63.100 -0.258 0.000 0.776 1183 P CB 0.393 32.007 31.700 -0.143 0.000 0.876 1184 F N 0.627 120.476 119.950 -0.169 0.000 2.506 1184 F HA 0.119 4.646 4.527 -0.000 0.000 0.351 1184 F C 0.991 176.627 175.800 -0.273 0.000 1.136 1184 F CA -0.333 57.501 58.000 -0.277 0.000 1.298 1184 F CB -0.116 38.657 39.000 -0.378 0.000 1.145 1184 F HN -0.010 nan 8.300 nan 0.000 0.593 1185 V N 3.243 123.106 119.914 -0.086 0.000 2.513 1185 V HA 0.306 4.426 4.120 -0.000 0.000 0.299 1185 V C -0.547 175.432 176.094 -0.191 0.000 1.035 1185 V CA -1.072 61.167 62.300 -0.102 0.000 0.889 1185 V CB 1.398 33.168 31.823 -0.089 0.000 0.988 1185 V HN 0.477 nan 8.190 nan 0.000 0.440 1186 Y N 4.272 124.562 120.300 -0.017 0.000 2.300 1186 Y HA 0.379 4.929 4.550 -0.000 0.000 0.328 1186 Y C -1.713 174.166 175.900 -0.035 0.000 1.270 1186 Y CA -1.772 56.312 58.100 -0.025 0.000 1.352 1186 Y CB 0.492 38.944 38.460 -0.013 0.000 1.286 1186 Y HN 0.468 nan 8.280 nan 0.000 0.536 1187 P HA 0.095 nan 4.420 nan 0.000 0.269 1187 P C -0.767 176.571 177.300 0.064 0.000 1.217 1187 P CA -0.078 63.054 63.100 0.054 0.000 0.783 1187 P CB 0.557 32.281 31.700 0.040 0.000 0.898 1188 R N 2.411 122.933 120.500 0.037 0.000 2.352 1188 R HA 0.201 4.541 4.340 -0.000 0.000 0.304 1188 R C 0.373 176.692 176.300 0.031 0.000 1.104 1188 R CA -0.507 55.616 56.100 0.038 0.000 0.991 1188 R CB 0.428 30.755 30.300 0.044 0.000 1.140 1188 R HN 0.381 nan 8.270 nan 0.000 0.540 1189 N N 1.409 120.122 118.700 0.023 0.000 2.258 1189 N HA -0.211 4.529 4.740 -0.000 0.000 0.187 1189 N C 0.980 176.507 175.510 0.029 0.000 1.012 1189 N CA 1.675 54.736 53.050 0.017 0.000 0.870 1189 N CB 0.151 38.640 38.487 0.003 0.000 0.977 1189 N HN 0.581 nan 8.380 nan 0.000 0.434 1190 D N -0.643 119.777 120.400 0.034 0.000 2.348 1190 D HA -0.033 4.607 4.640 -0.000 0.000 0.211 1190 D C 0.481 176.815 176.300 0.057 0.000 0.998 1190 D CA 0.096 54.122 54.000 0.042 0.000 0.873 1190 D CB -0.163 40.659 40.800 0.036 0.000 0.925 1190 D HN 0.186 nan 8.370 nan 0.000 0.524 1191 L N 1.179 122.439 121.223 0.061 0.000 2.399 1191 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 1191 L C 0.977 177.906 176.870 0.098 0.000 1.089 1191 L CA -0.867 54.020 54.840 0.079 0.000 0.802 1191 L CB 1.535 43.640 42.059 0.076 0.000 1.180 1191 L HN -0.002 nan 8.230 nan 0.000 0.454 1192 S N 0.079 115.855 115.700 0.126 0.000 2.608 1192 S HA 0.008 4.478 4.470 -0.000 0.000 0.261 1192 S C 0.886 175.611 174.600 0.208 0.000 1.314 1192 S CA -0.267 58.039 58.200 0.177 0.000 0.992 1192 S CB 0.425 63.738 63.200 0.189 0.000 0.935 1192 S HN 0.594 nan 8.310 nan 0.000 0.564 1193 Y N 1.357 121.745 120.300 0.146 0.000 2.053 1193 Y HA -0.196 4.354 4.550 -0.000 0.000 0.277 1193 Y C 2.634 178.625 175.900 0.152 0.000 1.159 1193 Y CA 2.406 60.599 58.100 0.154 0.000 1.125 1193 Y CB -1.042 37.546 38.460 0.212 0.000 0.969 1193 Y HN 0.804 nan 8.280 nan 0.000 0.492 1194 A N -0.138 122.961 122.820 0.465 0.000 1.933 1194 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 1194 A C 2.385 180.121 177.584 0.253 0.000 1.175 1194 A CA 1.633 53.882 52.037 0.354 0.000 0.628 1194 A CB -1.651 17.511 19.000 0.270 0.000 0.814 1194 A HN 0.634 nan 8.150 nan 0.000 0.444 1195 G N -0.111 108.809 108.800 0.199 0.000 2.403 1195 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 1195 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 1195 G C 1.454 176.427 174.900 0.121 0.000 1.154 1195 G CA 1.203 46.398 45.100 0.159 0.000 0.784 1195 G HN 0.617 nan 8.290 nan 0.000 0.538 1196 N N -0.022 118.734 118.700 0.094 0.000 2.142 1196 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 1196 N C 1.781 177.292 175.510 0.002 0.000 1.023 1196 N CA 1.044 54.114 53.050 0.033 0.000 0.852 1196 N CB -0.377 38.106 38.487 -0.007 0.000 0.998 1196 N HN 0.231 nan 8.380 nan 0.000 0.424 1197 F N 0.662 120.535 119.950 -0.128 0.000 2.234 1197 F HA 0.114 4.641 4.527 -0.000 0.000 0.299 1197 F C 1.752 177.469 175.800 -0.138 0.000 1.087 1197 F CA 0.900 58.802 58.000 -0.164 0.000 1.340 1197 F CB -0.241 38.657 39.000 -0.171 0.000 1.031 1197 F HN 0.061 nan 8.300 nan 0.000 0.500 1198 L N 0.036 121.131 121.223 -0.214 0.000 2.093 1198 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 1198 L C 2.204 178.900 176.870 -0.290 0.000 1.085 1198 L CA 1.544 56.251 54.840 -0.221 0.000 0.755 1198 L CB -0.755 41.389 42.059 0.142 0.000 0.904 1198 L HN 0.198 nan 8.230 nan 0.000 0.435 1199 N N 0.200 118.793 118.700 -0.179 0.000 2.142 1199 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 1199 N C 1.891 177.208 175.510 -0.321 0.000 1.023 1199 N CA 1.382 54.288 53.050 -0.240 0.000 0.852 1199 N CB -0.015 38.461 38.487 -0.018 0.000 0.998 1199 N HN 0.164 nan 8.380 nan 0.000 0.424 1200 M N -0.795 118.626 119.600 -0.298 0.000 2.374 1200 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 1200 M C 1.522 177.585 176.300 -0.396 0.000 1.067 1200 M CA 0.798 55.928 55.300 -0.284 0.000 1.103 1200 M CB -0.031 32.438 32.600 -0.217 0.000 1.402 1200 M HN 0.253 nan 8.290 nan 0.000 0.444 1201 M N -1.119 118.086 119.600 -0.659 0.000 2.216 1201 M HA 0.004 4.484 4.480 -0.000 0.000 0.264 1201 M C 1.499 177.369 176.300 -0.716 0.000 1.080 1201 M CA 1.830 56.615 55.300 -0.858 0.000 1.153 1201 M CB -0.559 31.102 32.600 -1.564 0.000 1.356 1201 M HN 0.234 nan 8.290 nan 0.000 0.432 1202 F N -0.306 119.384 119.950 -0.433 0.000 2.724 1202 F HA 0.124 4.651 4.527 -0.000 0.000 0.306 1202 F C 1.572 177.032 175.800 -0.567 0.000 1.100 1202 F CA -0.623 57.111 58.000 -0.444 0.000 1.255 1202 F CB 0.013 38.737 39.000 -0.459 0.000 1.072 1202 F HN 0.009 nan 8.300 nan 0.000 0.589 1203 S N -0.092 115.296 115.700 -0.519 0.000 2.589 1203 S HA 0.475 4.945 4.470 -0.000 0.000 0.265 1203 S C 0.032 174.590 174.600 -0.070 0.000 1.342 1203 S CA -0.124 57.922 58.200 -0.258 0.000 1.005 1203 S CB 1.362 64.472 63.200 -0.149 0.000 0.909 1203 S HN 0.058 nan 8.310 nan 0.000 0.555 1204 T N 1.550 116.112 114.554 0.013 0.000 2.889 1204 T HA 0.504 4.854 4.350 -0.000 0.000 0.315 1204 T C -2.350 172.366 174.700 0.028 0.000 1.291 1204 T CA -0.930 61.178 62.100 0.012 0.000 1.028 1204 T CB 1.746 70.630 68.868 0.025 0.000 1.235 1204 T HN 0.370 nan 8.240 nan 0.000 0.491 1205 P HA 0.046 nan 4.420 nan 0.000 0.223 1205 P C 1.260 178.573 177.300 0.022 0.000 1.151 1205 P CA 0.584 63.696 63.100 0.020 0.000 0.787 1205 P CB -0.083 31.623 31.700 0.009 0.000 0.788 1206 C N 0.116 119.428 119.300 0.020 0.000 2.396 1206 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 1206 C C 1.358 176.364 174.990 0.027 0.000 1.231 1206 C CA 1.016 60.046 59.018 0.019 0.000 1.775 1206 C CB -1.482 26.269 27.740 0.019 0.000 2.036 1206 C HN 0.418 nan 8.230 nan 0.000 0.484 1207 E N -0.266 119.960 120.200 0.043 0.000 2.439 1207 E HA 0.384 4.734 4.350 -0.000 0.000 0.279 1207 E C -3.118 173.525 176.600 0.072 0.000 1.077 1207 E CA -1.260 55.168 56.400 0.047 0.000 0.849 1207 E CB 0.777 30.501 29.700 0.040 0.000 1.408 1207 E HN -0.028 nan 8.360 nan 0.000 0.457 1208 P HA 0.118 nan 4.420 nan 0.000 0.275 1208 P C -1.438 175.937 177.300 0.125 0.000 1.228 1208 P CA -0.145 63.006 63.100 0.085 0.000 0.786 1208 P CB 0.421 32.149 31.700 0.048 0.000 0.927 1209 Y N 0.974 121.286 120.300 0.019 0.000 2.330 1209 Y HA 0.341 4.891 4.550 -0.000 0.000 0.336 1209 Y C 0.143 176.055 175.900 0.019 0.000 1.036 1209 Y CA -0.669 57.444 58.100 0.023 0.000 1.125 1209 Y CB 1.523 40.006 38.460 0.039 0.000 1.194 1209 Y HN 0.263 nan 8.280 nan 0.000 0.469 1210 E N 4.181 124.070 120.200 -0.520 0.000 2.113 1210 E HA 0.312 4.662 4.350 -0.000 0.000 0.273 1210 E C -1.394 174.957 176.600 -0.414 0.000 0.924 1210 E CA -0.527 55.678 56.400 -0.325 0.000 0.764 1210 E CB 1.113 30.673 29.700 -0.233 0.000 1.104 1210 E HN 0.490 nan 8.360 nan 0.000 0.406 1211 V N 5.843 125.683 119.914 -0.124 0.000 2.381 1211 V HA 0.044 4.164 4.120 -0.000 0.000 0.257 1211 V C 0.726 176.803 176.094 -0.028 0.000 1.057 1211 V CA -0.538 61.762 62.300 -0.001 0.000 1.013 1211 V CB -0.016 31.873 31.823 0.110 0.000 1.069 1211 V HN 0.597 nan 8.190 nan 0.000 0.484 1212 N N 7.433 126.102 118.700 -0.052 0.000 2.454 1212 N HA 0.056 4.796 4.740 -0.000 0.000 0.260 1212 N C -1.556 173.956 175.510 0.005 0.000 1.218 1212 N CA -1.244 51.782 53.050 -0.039 0.000 0.904 1212 N CB 1.849 40.307 38.487 -0.048 0.000 1.065 1212 N HN 0.233 nan 8.380 nan 0.000 0.462 1213 P HA -0.067 nan 4.420 nan 0.000 0.215 1213 P C 1.344 178.656 177.300 0.020 0.000 1.153 1213 P CA 1.227 64.336 63.100 0.016 0.000 0.853 1213 P CB 0.281 31.985 31.700 0.005 0.000 0.788 1214 I N -1.653 118.920 120.570 0.004 0.000 2.439 1214 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 1214 I C 2.180 178.307 176.117 0.017 0.000 1.139 1214 I CA 1.087 62.387 61.300 0.001 0.000 1.438 1214 I CB -0.508 37.479 38.000 -0.023 0.000 1.085 1214 I HN -0.098 nan 8.210 nan 0.000 0.427 1215 L N 0.334 121.571 121.223 0.025 0.000 2.109 1215 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 1215 L C 2.567 179.487 176.870 0.083 0.000 1.086 1215 L CA 1.143 56.013 54.840 0.050 0.000 0.760 1215 L CB -0.572 41.517 42.059 0.050 0.000 0.910 1215 L HN 0.311 nan 8.230 nan 0.000 0.437 1216 E N 0.926 121.177 120.200 0.084 0.000 2.077 1216 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 1216 E C 2.350 179.011 176.600 0.103 0.000 0.989 1216 E CA 1.299 57.764 56.400 0.109 0.000 0.800 1216 E CB 0.086 29.846 29.700 0.099 0.000 0.746 1216 E HN 0.310 nan 8.360 nan 0.000 0.452 1217 R N -0.014 120.530 120.500 0.075 0.000 2.090 1217 R HA -0.046 4.294 4.340 -0.000 0.000 0.228 1217 R C 2.234 178.573 176.300 0.065 0.000 1.110 1217 R CA 1.136 57.275 56.100 0.066 0.000 0.973 1217 R CB -0.258 30.068 30.300 0.043 0.000 0.869 1217 R HN 0.180 nan 8.270 nan 0.000 0.440 1218 A N 1.159 124.015 122.820 0.059 0.000 1.877 1218 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 1218 A C 2.103 179.733 177.584 0.077 0.000 1.186 1218 A CA 1.669 53.741 52.037 0.058 0.000 0.620 1218 A CB -0.538 18.491 19.000 0.049 0.000 0.822 1218 A HN 0.459 nan 8.150 nan 0.000 0.443 1219 M N 0.285 119.945 119.600 0.099 0.000 2.086 1219 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 1219 M C 1.682 178.032 176.300 0.084 0.000 1.067 1219 M CA 2.357 57.728 55.300 0.117 0.000 1.116 1219 M CB -0.615 32.095 32.600 0.183 0.000 1.348 1219 M HN 0.487 nan 8.290 nan 0.000 0.407 1220 D N -0.288 120.169 120.400 0.095 0.000 2.149 1220 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 1220 D C 2.002 178.339 176.300 0.062 0.000 0.990 1220 D CA 1.402 55.449 54.000 0.079 0.000 0.839 1220 D CB -0.087 40.783 40.800 0.118 0.000 0.948 1220 D HN 0.452 nan 8.370 nan 0.000 0.460 1221 R N -0.139 120.402 120.500 0.068 0.000 2.075 1221 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 1221 R C 2.724 179.068 176.300 0.074 0.000 1.126 1221 R CA 0.777 56.916 56.100 0.065 0.000 0.963 1221 R CB -0.171 30.161 30.300 0.052 0.000 0.858 1221 R HN 0.302 nan 8.270 nan 0.000 0.435 1222 I N 0.674 121.294 120.570 0.084 0.000 2.208 1222 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 1222 I C 1.926 178.137 176.117 0.157 0.000 1.097 1222 I CA 1.022 62.408 61.300 0.143 0.000 1.363 1222 I CB -0.193 37.878 38.000 0.119 0.000 1.051 1222 I HN 0.115 nan 8.210 nan 0.000 0.413 1223 L N 0.467 121.683 121.223 -0.012 0.000 1.994 1223 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 1223 L C 2.368 179.256 176.870 0.029 0.000 1.071 1223 L CA 1.877 56.593 54.840 -0.207 0.000 0.745 1223 L CB -0.733 40.922 42.059 -0.674 0.000 0.892 1223 L HN 0.151 nan 8.230 nan 0.000 0.431 1224 I N -0.963 119.687 120.570 0.133 0.000 2.151 1224 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 1224 I C 2.189 178.381 176.117 0.125 0.000 1.080 1224 I CA 1.344 62.760 61.300 0.193 0.000 1.339 1224 I CB -0.329 37.754 38.000 0.139 0.000 1.039 1224 I HN 0.208 nan 8.210 nan 0.000 0.409 1225 L N -0.496 120.767 121.223 0.066 0.000 2.551 1225 L HA -0.161 4.179 4.340 -0.000 0.000 0.228 1225 L C 1.299 178.012 176.870 -0.262 0.000 1.153 1225 L CA 0.931 55.729 54.840 -0.069 0.000 0.851 1225 L CB -0.570 41.410 42.059 -0.130 0.000 0.959 1225 L HN 0.362 nan 8.230 nan 0.000 0.451 1226 H N -2.001 117.027 119.070 -0.071 0.000 2.784 1226 H HA 0.288 4.844 4.556 0.000 0.000 0.273 1226 H C 1.876 177.155 175.328 -0.081 0.000 1.112 1226 H CA 0.360 56.331 56.048 -0.130 0.000 1.162 1226 H CB 0.478 30.121 29.762 -0.199 0.000 1.586 1226 H HN 0.139 nan 8.280 nan 0.000 0.548 1227 A N 0.142 123.006 122.820 0.074 0.000 1.917 1227 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 1227 A C 0.559 178.093 177.584 -0.083 0.000 1.182 1227 A CA 2.066 54.120 52.037 0.028 0.000 0.633 1227 A CB -0.013 18.971 19.000 -0.027 0.000 0.819 1227 A HN 0.486 nan 8.150 nan 0.000 0.448 1228 D N -5.238 115.129 120.400 -0.054 0.000 2.663 1228 D HA 0.362 5.002 4.640 -0.000 0.000 0.233 1228 D C -0.872 175.594 176.300 0.277 0.000 1.240 1228 D CA -0.547 53.486 54.000 0.055 0.000 0.774 1228 D CB 0.657 41.479 40.800 0.037 0.000 1.443 1228 D HN 0.192 nan 8.370 nan 0.000 0.441 1229 H N 2.589 121.730 119.070 0.119 0.000 2.924 1229 H HA 0.201 4.757 4.556 -0.000 0.000 0.229 1229 H C -0.101 175.274 175.328 0.078 0.000 1.345 1229 H CA -0.319 55.800 56.048 0.119 0.000 1.044 1229 H CB 0.264 30.079 29.762 0.088 0.000 2.221 1229 H HN 0.563 nan 8.280 nan 0.000 0.574 1230 E N 0.451 120.738 120.200 0.144 0.000 4.788 1230 E HA -0.223 4.126 4.350 -0.000 0.000 0.194 1230 E C -0.393 176.146 176.600 -0.103 0.000 1.477 1230 E CA 0.574 57.001 56.400 0.045 0.000 2.443 1230 E CB -0.067 29.586 29.700 -0.078 0.000 2.075 1230 E HN 0.484 nan 8.360 nan 0.000 0.466 1231 Q N 1.375 121.126 119.800 -0.081 0.000 2.892 1231 Q HA 0.018 4.358 4.340 -0.000 0.000 0.237 1231 Q C 0.034 175.997 176.000 -0.062 0.000 1.157 1231 Q CA 0.812 56.566 55.803 -0.081 0.000 0.939 1231 Q CB -1.586 27.130 28.738 -0.036 0.000 1.715 1231 Q HN 0.303 nan 8.270 nan 0.000 0.451 1232 N N -1.548 117.129 118.700 -0.039 0.000 2.418 1232 N HA 0.371 5.111 4.740 -0.000 0.000 0.283 1232 N C 0.965 176.508 175.510 0.055 0.000 1.267 1232 N CA -0.006 53.056 53.050 0.020 0.000 0.975 1232 N CB 0.273 38.811 38.487 0.085 0.000 1.167 1232 N HN -0.018 nan 8.380 nan 0.000 0.581 1233 A N -0.045 122.821 122.820 0.076 0.000 1.865 1233 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 1233 A C 2.176 179.805 177.584 0.074 0.000 1.191 1233 A CA 2.471 54.550 52.037 0.071 0.000 0.623 1233 A CB -1.737 17.303 19.000 0.066 0.000 0.826 1233 A HN 0.817 nan 8.150 nan 0.000 0.444 1234 S N -1.162 114.616 115.700 0.131 0.000 2.368 1234 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 1234 S C 1.841 176.451 174.600 0.017 0.000 1.030 1234 S CA 1.958 60.224 58.200 0.109 0.000 0.999 1234 S CB -1.240 62.163 63.200 0.337 0.000 0.844 1234 S HN 0.478 nan 8.310 nan 0.000 0.459 1235 T N 2.179 116.821 114.554 0.147 0.000 2.867 1235 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 1235 T C 2.100 176.795 174.700 -0.008 0.000 1.057 1235 T CA 1.455 63.598 62.100 0.073 0.000 1.136 1235 T CB -0.545 68.307 68.868 -0.026 0.000 0.874 1235 T HN 0.513 nan 8.240 nan 0.000 0.466 1236 S N 0.977 116.681 115.700 0.007 0.000 2.368 1236 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 1236 S C 2.374 176.978 174.600 0.006 0.000 1.030 1236 S CA 1.355 59.566 58.200 0.018 0.000 0.999 1236 S CB -0.560 62.671 63.200 0.052 0.000 0.844 1236 S HN 0.527 nan 8.310 nan 0.000 0.459 1237 T N 2.109 116.650 114.554 -0.023 0.000 2.708 1237 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 1237 T C 1.957 176.615 174.700 -0.071 0.000 1.037 1237 T CA 1.250 63.322 62.100 -0.046 0.000 1.146 1237 T CB -0.476 68.346 68.868 -0.078 0.000 0.865 1237 T HN 0.166 nan 8.240 nan 0.000 0.435 1238 V N 1.466 121.296 119.914 -0.140 0.000 2.255 1238 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 1238 V C 2.649 178.771 176.094 0.047 0.000 1.051 1238 V CA 1.821 64.049 62.300 -0.120 0.000 1.018 1238 V CB -0.554 31.140 31.823 -0.216 0.000 0.641 1238 V HN 0.381 nan 8.190 nan 0.000 0.445 1239 R N -0.564 119.970 120.500 0.057 0.000 2.081 1239 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 1239 R C 2.403 178.717 176.300 0.023 0.000 1.131 1239 R CA 1.970 58.106 56.100 0.061 0.000 0.960 1239 R CB -0.667 29.658 30.300 0.042 0.000 0.856 1239 R HN 0.505 nan 8.270 nan 0.000 0.436 1240 T N 0.506 115.072 114.554 0.020 0.000 2.821 1240 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 1240 T C 1.861 176.578 174.700 0.029 0.000 1.046 1240 T CA 1.279 63.391 62.100 0.020 0.000 1.139 1240 T CB -0.130 68.757 68.868 0.032 0.000 0.871 1240 T HN 0.372 nan 8.240 nan 0.000 0.454 1241 A N 1.302 124.143 122.820 0.035 0.000 1.898 1241 A HA 0.178 4.498 4.320 -0.000 0.000 0.216 1241 A C 2.597 180.239 177.584 0.098 0.000 1.181 1241 A CA 1.660 53.727 52.037 0.049 0.000 0.620 1241 A CB -1.223 17.791 19.000 0.024 0.000 0.819 1241 A HN 0.500 nan 8.150 nan 0.000 0.442 1242 G N 0.010 108.897 108.800 0.146 0.000 2.471 1242 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 1242 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 1242 G C 1.861 176.759 174.900 -0.003 0.000 1.125 1242 G CA 1.578 46.811 45.100 0.222 0.000 0.775 1242 G HN 0.812 nan 8.290 nan 0.000 0.548 1243 S N 1.288 116.968 115.700 -0.034 0.000 2.402 1243 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 1243 S C 2.400 177.006 174.600 0.009 0.000 1.021 1243 S CA 1.656 59.822 58.200 -0.056 0.000 0.974 1243 S CB -0.544 62.632 63.200 -0.040 0.000 0.800 1243 S HN 0.540 nan 8.310 nan 0.000 0.484 1244 S N 0.528 116.254 115.700 0.043 0.000 2.515 1244 S HA 0.380 4.850 4.470 -0.000 0.000 0.231 1244 S C 1.647 176.298 174.600 0.084 0.000 0.987 1244 S CA 0.594 58.828 58.200 0.056 0.000 0.936 1244 S CB -0.694 62.539 63.200 0.054 0.000 0.766 1244 S HN 1.572 nan 8.310 nan 0.000 0.528 1245 G N 0.604 109.482 108.800 0.130 0.000 2.159 1245 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.227 1245 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.227 1245 G C 0.255 175.276 174.900 0.202 0.000 0.986 1245 G CA -0.132 45.075 45.100 0.178 0.000 0.651 1245 G HN 1.251 nan 8.290 nan 0.000 0.523 1246 A N 0.261 123.194 122.820 0.189 0.000 2.520 1246 A HA 0.498 4.818 4.320 -0.000 0.000 0.235 1246 A C 0.834 178.549 177.584 0.219 0.000 1.065 1246 A CA 0.759 52.896 52.037 0.167 0.000 0.764 1246 A CB -0.040 19.033 19.000 0.123 0.000 1.002 1246 A HN 1.869 nan 8.150 nan 0.000 0.502 1247 N N 2.059 120.855 118.700 0.160 0.000 2.416 1247 N HA 0.202 4.942 4.740 -0.000 0.000 0.246 1247 N C -2.203 173.272 175.510 -0.057 0.000 1.260 1247 N CA -0.723 52.406 53.050 0.131 0.000 0.897 1247 N CB 0.094 38.684 38.487 0.171 0.000 1.110 1247 N HN 0.227 nan 8.380 nan 0.000 0.439 1248 P HA -0.179 nan 4.420 nan 0.000 0.216 1248 P C 0.643 177.520 177.300 -0.705 0.000 1.157 1248 P CA 1.648 64.184 63.100 -0.941 0.000 0.880 1248 P CB -0.104 30.903 31.700 -1.155 0.000 0.791 1249 F N -0.437 119.412 119.950 -0.168 0.000 2.146 1249 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 1249 F C 2.511 178.259 175.800 -0.087 0.000 1.096 1249 F CA 0.969 58.909 58.000 -0.100 0.000 1.275 1249 F CB -1.472 37.521 39.000 -0.013 0.000 1.008 1249 F HN -0.125 nan 8.300 nan 0.000 0.480 1250 A N -0.525 122.354 122.820 0.098 0.000 1.940 1250 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 1250 A C 2.230 179.790 177.584 -0.039 0.000 1.176 1250 A CA 1.840 53.907 52.037 0.049 0.000 0.631 1250 A CB -1.503 17.537 19.000 0.067 0.000 0.814 1250 A HN 0.517 nan 8.150 nan 0.000 0.446 1251 C N -0.583 118.646 119.300 -0.119 0.000 2.453 1251 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 1251 C C 2.512 177.347 174.990 -0.258 0.000 1.262 1251 C CA 0.726 59.636 59.018 -0.180 0.000 1.718 1251 C CB -1.051 26.532 27.740 -0.261 0.000 2.031 1251 C HN 0.582 nan 8.230 nan 0.000 0.480 1252 I N 1.713 122.133 120.570 -0.250 0.000 2.286 1252 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 1252 I C 2.729 178.735 176.117 -0.186 0.000 1.115 1252 I CA 1.854 63.029 61.300 -0.208 0.000 1.392 1252 I CB -1.673 36.313 38.000 -0.023 0.000 1.065 1252 I HN 0.275 nan 8.210 nan 0.000 0.418 1253 A N 0.882 123.652 122.820 -0.082 0.000 1.902 1253 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 1253 A C 2.583 180.116 177.584 -0.086 0.000 1.181 1253 A CA 1.912 53.927 52.037 -0.036 0.000 0.623 1253 A CB -0.758 18.253 19.000 0.018 0.000 0.818 1253 A HN 0.399 nan 8.150 nan 0.000 0.443 1254 A N -0.478 122.267 122.820 -0.126 0.000 1.933 1254 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 1254 A C 2.389 179.826 177.584 -0.244 0.000 1.175 1254 A CA 1.950 53.910 52.037 -0.128 0.000 0.628 1254 A CB -1.344 17.588 19.000 -0.113 0.000 0.814 1254 A HN 0.729 nan 8.150 nan 0.000 0.444 1255 G N 0.005 108.487 108.800 -0.531 0.000 2.418 1255 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 1255 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 1255 G C 1.521 176.037 174.900 -0.640 0.000 1.158 1255 G CA 1.100 45.581 45.100 -1.031 0.000 0.771 1255 G HN 0.488 nan 8.290 nan 0.000 0.545 1256 I N 1.353 121.733 120.570 -0.317 0.000 2.179 1256 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 1256 I C 3.298 179.524 176.117 0.182 0.000 1.088 1256 I CA 1.031 62.421 61.300 0.149 0.000 1.357 1256 I CB -0.267 37.819 38.000 0.142 0.000 1.051 1256 I HN 0.236 nan 8.210 nan 0.000 0.409 1257 A N -0.229 122.672 122.820 0.134 0.000 1.933 1257 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 1257 A C 2.488 180.208 177.584 0.227 0.000 1.175 1257 A CA 2.200 54.390 52.037 0.255 0.000 0.628 1257 A CB -0.736 18.374 19.000 0.184 0.000 0.814 1257 A HN 0.418 nan 8.150 nan 0.000 0.444 1258 S N -1.003 114.764 115.700 0.112 0.000 2.383 1258 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 1258 S C 1.868 176.571 174.600 0.173 0.000 1.026 1258 S CA 1.395 59.653 58.200 0.096 0.000 0.981 1258 S CB -0.366 62.840 63.200 0.010 0.000 0.818 1258 S HN 0.424 nan 8.310 nan 0.000 0.472 1259 L N 0.265 121.643 121.223 0.259 0.000 2.109 1259 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 1259 L C 1.928 178.986 176.870 0.314 0.000 1.086 1259 L CA 1.517 56.556 54.840 0.331 0.000 0.760 1259 L CB -0.638 41.705 42.059 0.472 0.000 0.910 1259 L HN 0.583 nan 8.230 nan 0.000 0.437 1260 W N 0.520 121.860 121.300 0.066 0.000 2.418 1260 W HA 0.066 4.726 4.660 -0.000 0.000 0.292 1260 W C 2.201 178.620 176.519 -0.166 0.000 1.213 1260 W CA 1.253 58.560 57.345 -0.063 0.000 1.283 1260 W CB -1.048 28.365 29.460 -0.079 0.000 1.119 1260 W HN 0.235 nan 8.180 nan 0.000 0.542 1261 G N 2.543 111.377 108.800 0.056 0.000 2.864 1261 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.250 1261 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.250 1261 G C -1.086 173.735 174.900 -0.131 0.000 1.154 1261 G CA 1.768 46.843 45.100 -0.042 0.000 0.755 1261 G HN 0.272 nan 8.290 nan 0.000 0.697 1262 P HA 0.309 nan 4.420 nan 0.000 0.262 1262 P C -0.162 177.091 177.300 -0.079 0.000 1.647 1262 P CA 1.245 64.317 63.100 -0.047 0.000 0.865 1262 P CB -0.205 31.495 31.700 -0.000 0.000 1.834 1263 A N -0.715 121.978 122.820 -0.212 0.000 2.554 1263 A HA 0.149 4.469 4.320 -0.000 0.000 0.266 1263 A C 1.106 178.473 177.584 -0.362 0.000 0.938 1263 A CA -0.211 51.702 52.037 -0.208 0.000 1.045 1263 A CB -0.338 18.605 19.000 -0.095 0.000 1.198 1263 A HN 0.150 nan 8.150 nan 0.000 0.528 1264 H N 0.331 119.224 119.070 -0.295 0.000 2.520 1264 H HA 0.140 4.696 4.556 -0.000 0.000 0.279 1264 H C 1.683 176.895 175.328 -0.193 0.000 0.990 1264 H CA 0.738 56.575 56.048 -0.352 0.000 1.288 1264 H CB 0.087 29.578 29.762 -0.451 0.000 1.446 1264 H HN 0.494 nan 8.280 nan 0.000 0.538 1265 G N -0.401 108.387 108.800 -0.021 0.000 2.690 1265 G HA2 0.108 4.068 3.960 -0.000 0.000 0.239 1265 G HA3 0.108 4.068 3.960 -0.000 0.000 0.239 1265 G C 1.313 176.202 174.900 -0.018 0.000 1.233 1265 G CA 0.192 45.276 45.100 -0.025 0.000 0.847 1265 G HN 0.363 nan 8.290 nan 0.000 0.588 1266 G N 0.595 109.386 108.800 -0.016 0.000 2.433 1266 G HA2 0.045 4.005 3.960 -0.000 0.000 0.216 1266 G HA3 0.045 4.005 3.960 -0.000 0.000 0.216 1266 G C 1.937 176.833 174.900 -0.007 0.000 1.186 1266 G CA 1.513 46.610 45.100 -0.006 0.000 0.779 1266 G HN 1.071 nan 8.290 nan 0.000 0.543 1267 A N 0.631 123.440 122.820 -0.019 0.000 2.216 1267 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 1267 A C 2.090 179.655 177.584 -0.032 0.000 1.160 1267 A CA 1.656 53.676 52.037 -0.029 0.000 0.725 1267 A CB -0.378 18.594 19.000 -0.047 0.000 0.784 1267 A HN 0.410 nan 8.150 nan 0.000 0.472 1268 N N 0.247 118.933 118.700 -0.023 0.000 2.092 1268 N HA -0.075 4.665 4.740 -0.000 0.000 0.189 1268 N C 1.452 176.970 175.510 0.012 0.000 1.040 1268 N CA 1.791 54.831 53.050 -0.016 0.000 0.845 1268 N CB -0.250 38.220 38.487 -0.028 0.000 1.017 1268 N HN 0.546 nan 8.380 nan 0.000 0.426 1269 E N 0.159 120.372 120.200 0.023 0.000 2.318 1269 E HA 0.212 4.562 4.350 -0.000 0.000 0.193 1269 E C 1.703 178.329 176.600 0.043 0.000 0.998 1269 E CA 0.566 56.995 56.400 0.048 0.000 0.859 1269 E CB -0.140 29.598 29.700 0.064 0.000 0.812 1269 E HN 0.334 nan 8.360 nan 0.000 0.492 1270 A N 1.214 124.050 122.820 0.027 0.000 1.972 1270 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 1270 A C 2.274 179.876 177.584 0.030 0.000 1.169 1270 A CA 1.803 53.855 52.037 0.026 0.000 0.635 1270 A CB -0.595 18.413 19.000 0.013 0.000 0.810 1270 A HN 0.300 nan 8.150 nan 0.000 0.446 1271 A N -0.377 122.456 122.820 0.022 0.000 1.850 1271 A HA 0.222 4.542 4.320 -0.000 0.000 0.212 1271 A C 1.644 179.271 177.584 0.071 0.000 1.208 1271 A CA 0.869 52.924 52.037 0.030 0.000 0.609 1271 A CB -0.511 18.481 19.000 -0.014 0.000 0.860 1271 A HN 0.399 nan 8.150 nan 0.000 0.448 1272 L N -0.053 121.216 121.223 0.077 0.000 2.798 1272 L HA -0.001 4.339 4.340 -0.000 0.000 0.254 1272 L C 1.833 178.757 176.870 0.090 0.000 1.176 1272 L CA 0.268 55.171 54.840 0.106 0.000 0.991 1272 L CB -0.330 41.797 42.059 0.114 0.000 1.225 1272 L HN 0.315 nan 8.230 nan 0.000 0.420 1273 K N 0.998 121.444 120.400 0.077 0.000 2.159 1273 K HA 0.100 4.420 4.320 -0.000 0.000 0.210 1273 K C 1.824 178.465 176.600 0.069 0.000 1.026 1273 K CA 1.116 57.441 56.287 0.064 0.000 0.959 1273 K CB -0.003 32.528 32.500 0.053 0.000 0.890 1273 K HN 0.067 nan 8.250 nan 0.000 0.459 1274 M N 0.939 120.583 119.600 0.073 0.000 2.549 1274 M HA -0.008 4.472 4.480 -0.000 0.000 0.260 1274 M C 1.587 177.943 176.300 0.093 0.000 1.076 1274 M CA 0.555 55.900 55.300 0.075 0.000 1.090 1274 M CB -0.126 32.518 32.600 0.074 0.000 1.418 1274 M HN 0.080 nan 8.290 nan 0.000 0.486 1275 L N 0.700 121.992 121.223 0.115 0.000 2.261 1275 L HA -0.180 4.160 4.340 -0.000 0.000 0.216 1275 L C 2.066 179.010 176.870 0.123 0.000 1.114 1275 L CA 1.963 56.890 54.840 0.145 0.000 0.777 1275 L CB -0.211 41.953 42.059 0.175 0.000 0.910 1275 L HN 0.315 nan 8.230 nan 0.000 0.440 1276 E N -1.621 118.639 120.200 0.099 0.000 2.489 1276 E HA -0.069 4.281 4.350 -0.000 0.000 0.208 1276 E C 1.836 178.473 176.600 0.061 0.000 0.814 1276 E CA 0.435 56.885 56.400 0.083 0.000 1.348 1276 E CB -0.256 29.496 29.700 0.087 0.000 1.334 1276 E HN 0.394 nan 8.360 nan 0.000 0.672 1277 E N -0.028 120.207 120.200 0.057 0.000 2.333 1277 E HA -0.110 4.240 4.350 -0.000 0.000 0.200 1277 E C -0.171 176.454 176.600 0.042 0.000 1.010 1277 E CA 0.676 57.104 56.400 0.045 0.000 0.841 1277 E CB 0.175 29.902 29.700 0.045 0.000 0.757 1277 E HN 0.178 nan 8.360 nan 0.000 0.508 1278 I N -0.011 120.588 120.570 0.048 0.000 2.498 1278 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 1278 I C 0.190 176.332 176.117 0.042 0.000 1.032 1278 I CA -0.553 60.771 61.300 0.041 0.000 1.073 1278 I CB 1.658 39.682 38.000 0.039 0.000 1.251 1278 I HN -0.098 nan 8.210 nan 0.000 0.426 1279 G N 6.811 115.631 108.800 0.033 0.000 4.160 1279 G HA2 0.590 4.550 3.960 -0.000 0.000 0.341 1279 G HA3 0.590 4.550 3.960 -0.000 0.000 0.341 1279 G C -0.565 174.350 174.900 0.024 0.000 1.510 1279 G CA -0.469 44.650 45.100 0.032 0.000 1.011 1279 G HN 0.646 nan 8.290 nan 0.000 0.491 1280 K N 1.051 121.464 120.400 0.021 0.000 2.575 1280 K HA 0.246 4.566 4.320 -0.000 0.000 0.271 1280 K C -0.158 176.444 176.600 0.002 0.000 1.013 1280 K CA -0.981 55.313 56.287 0.012 0.000 0.939 1280 K CB 1.286 33.791 32.500 0.008 0.000 1.328 1280 K HN -0.006 nan 8.250 nan 0.000 0.450 1281 K N 1.613 122.014 120.400 0.002 0.000 1.976 1281 K HA -0.213 4.107 4.320 -0.000 0.000 0.233 1281 K C 0.046 176.621 176.600 -0.042 0.000 1.032 1281 K CA 2.032 58.314 56.287 -0.009 0.000 1.032 1281 K CB -0.348 32.148 32.500 -0.007 0.000 0.733 1281 K HN 0.708 nan 8.250 nan 0.000 0.448 1282 E N 0.728 120.892 120.200 -0.059 0.000 2.127 1282 E HA -0.004 4.346 4.350 -0.000 0.000 0.295 1282 E C 0.052 176.571 176.600 -0.134 0.000 1.155 1282 E CA 0.080 56.408 56.400 -0.120 0.000 1.201 1282 E CB -0.320 29.319 29.700 -0.102 0.000 1.083 1282 E HN 0.336 nan 8.360 nan 0.000 0.472 1283 N N 0.665 119.289 118.700 -0.126 0.000 2.539 1283 N HA 0.016 4.756 4.740 -0.000 0.000 0.326 1283 N C 0.983 176.454 175.510 -0.066 0.000 0.622 1283 N CA -0.114 52.881 53.050 -0.091 0.000 1.237 1283 N CB 0.002 38.470 38.487 -0.032 0.000 1.806 1283 N HN 0.099 nan 8.380 nan 0.000 1.552 1284 I N 2.162 122.717 120.570 -0.024 0.000 2.252 1284 I HA -0.007 4.163 4.170 -0.000 0.000 0.245 1284 I C -1.050 175.070 176.117 0.005 0.000 1.102 1284 I CA 0.950 62.259 61.300 0.015 0.000 1.385 1284 I CB -0.966 37.065 38.000 0.053 0.000 1.064 1284 I HN 0.295 nan 8.210 nan 0.000 0.414 1285 P HA -0.135 nan 4.420 nan 0.000 0.210 1285 P C 0.428 177.656 177.300 -0.119 0.000 1.173 1285 P CA 0.673 63.751 63.100 -0.037 0.000 0.898 1285 P CB -0.289 31.386 31.700 -0.042 0.000 0.758 1286 E N 1.669 121.729 120.200 -0.233 0.000 3.506 1286 E HA -0.168 4.182 4.350 -0.000 0.000 0.233 1286 E C -0.404 175.714 176.600 -0.804 0.000 0.936 1286 E CA -0.121 55.978 56.400 -0.502 0.000 0.931 1286 E CB -1.347 27.965 29.700 -0.646 0.000 0.864 1286 E HN 0.256 nan 8.360 nan 0.000 0.551 1287 F N 0.326 120.290 119.950 0.024 0.000 3.048 1287 F HA -0.321 4.206 4.527 -0.000 0.000 0.269 1287 F C -0.531 175.286 175.800 0.027 0.000 0.960 1287 F CA 0.735 58.747 58.000 0.020 0.000 0.909 1287 F CB -2.085 36.923 39.000 0.013 0.000 0.837 1287 F HN 0.123 nan 8.300 nan 0.000 0.768 1288 V N -0.164 119.822 119.914 0.119 0.000 4.822 1288 V HA 0.232 4.352 4.120 -0.000 0.000 0.163 1288 V C 1.881 178.041 176.094 0.110 0.000 0.972 1288 V CA 0.227 62.596 62.300 0.115 0.000 1.430 1288 V CB -0.034 31.806 31.823 0.029 0.000 2.168 1288 V HN 0.240 nan 8.190 nan 0.000 0.434 1289 R N 0.595 121.154 120.500 0.098 0.000 2.845 1289 R HA 0.015 4.355 4.340 -0.000 0.000 0.220 1289 R C 1.798 178.204 176.300 0.177 0.000 1.528 1289 R CA 0.159 56.337 56.100 0.131 0.000 1.374 1289 R CB -0.113 30.270 30.300 0.138 0.000 1.104 1289 R HN 0.326 nan 8.270 nan 0.000 0.510 1290 R N -0.919 119.667 120.500 0.144 0.000 2.075 1290 R HA 0.015 4.355 4.340 -0.000 0.000 0.226 1290 R C 1.421 177.786 176.300 0.108 0.000 1.114 1290 R CA 1.534 57.717 56.100 0.138 0.000 0.972 1290 R CB -0.273 30.077 30.300 0.083 0.000 0.869 1290 R HN 0.267 nan 8.270 nan 0.000 0.437 1291 A N 0.188 123.060 122.820 0.086 0.000 2.498 1291 A HA 0.127 4.447 4.320 -0.000 0.000 0.238 1291 A C 1.590 179.229 177.584 0.090 0.000 1.225 1291 A CA -0.155 51.923 52.037 0.069 0.000 0.978 1291 A CB 0.292 19.298 19.000 0.010 0.000 1.142 1291 A HN 0.022 nan 8.150 nan 0.000 0.552 1292 K N 2.029 122.487 120.400 0.097 0.000 2.585 1292 K HA -0.095 4.225 4.320 -0.000 0.000 0.194 1292 K C -0.507 176.131 176.600 0.065 0.000 1.037 1292 K CA 0.909 57.242 56.287 0.078 0.000 0.964 1292 K CB -0.735 31.815 32.500 0.083 0.000 0.787 1292 K HN 0.706 nan 8.250 nan 0.000 0.488 1293 D N -1.046 119.406 120.400 0.087 0.000 2.225 1293 D HA 0.204 4.844 4.640 -0.000 0.000 0.248 1293 D C 0.326 176.602 176.300 -0.039 0.000 1.096 1293 D CA -0.560 53.440 54.000 -0.001 0.000 0.863 1293 D CB 1.695 42.507 40.800 0.020 0.000 1.156 1293 D HN -0.222 nan 8.370 nan 0.000 0.450 1294 K N 1.930 122.270 120.400 -0.101 0.000 2.324 1294 K HA 0.125 4.445 4.320 -0.000 0.000 0.222 1294 K C 1.299 177.840 176.600 -0.099 0.000 1.107 1294 K CA 0.225 56.473 56.287 -0.064 0.000 0.873 1294 K CB -0.387 32.094 32.500 -0.031 0.000 1.270 1294 K HN 0.379 nan 8.250 nan 0.000 0.456 1295 N N 0.438 119.062 118.700 -0.127 0.000 2.272 1295 N HA -0.060 4.680 4.740 -0.000 0.000 0.195 1295 N C 1.001 176.404 175.510 -0.179 0.000 1.048 1295 N CA 1.809 54.795 53.050 -0.107 0.000 0.912 1295 N CB -0.136 38.308 38.487 -0.072 0.000 1.096 1295 N HN -0.037 nan 8.380 nan 0.000 0.471 1296 D N -0.237 120.033 120.400 -0.217 0.000 2.255 1296 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 1296 D C 0.344 176.219 176.300 -0.708 0.000 0.997 1296 D CA 1.218 55.062 54.000 -0.260 0.000 0.906 1296 D CB -0.670 40.056 40.800 -0.122 0.000 1.047 1296 D HN 0.237 nan 8.370 nan 0.000 0.458 1297 S N -0.769 114.619 115.700 -0.520 0.000 3.420 1297 S HA -0.245 4.225 4.470 -0.000 0.000 0.367 1297 S C 0.421 174.666 174.600 -0.591 0.000 1.063 1297 S CA 0.759 58.635 58.200 -0.540 0.000 1.073 1297 S CB -1.465 61.386 63.200 -0.582 0.000 0.905 1297 S HN 0.337 nan 8.310 nan 0.000 0.485 1298 F N -1.211 118.788 119.950 0.082 0.000 1.806 1298 F HA 0.287 4.814 4.527 0.000 0.000 0.245 1298 F C 1.766 177.669 175.800 0.172 0.000 1.158 1298 F CA -0.642 57.423 58.000 0.109 0.000 1.289 1298 F CB -0.403 38.547 39.000 -0.083 0.000 1.718 1298 F HN 0.026 nan 8.300 nan 0.000 0.480 1299 R N 1.329 121.989 120.500 0.267 0.000 2.341 1299 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 1299 R C 1.352 177.711 176.300 0.098 0.000 1.082 1299 R CA 0.941 57.123 56.100 0.136 0.000 1.017 1299 R CB -0.355 29.987 30.300 0.069 0.000 0.860 1299 R HN 0.287 nan 8.270 nan 0.000 0.473 1300 L N -0.941 120.350 121.223 0.114 0.000 2.513 1300 L HA 0.140 4.480 4.340 -0.000 0.000 0.222 1300 L C 0.837 177.797 176.870 0.150 0.000 1.096 1300 L CA 0.594 55.497 54.840 0.105 0.000 0.857 1300 L CB -0.144 41.955 42.059 0.066 0.000 1.026 1300 L HN 0.266 nan 8.230 nan 0.000 0.469 1301 M N -0.952 118.770 119.600 0.203 0.000 2.428 1301 M HA 0.311 4.791 4.480 -0.000 0.000 0.239 1301 M C 1.077 177.400 176.300 0.039 0.000 1.121 1301 M CA 0.370 55.800 55.300 0.216 0.000 1.019 1301 M CB 0.342 33.184 32.600 0.403 0.000 1.485 1301 M HN 0.168 nan 8.290 nan 0.000 0.484 1302 G N 0.212 109.000 108.800 -0.019 0.000 2.173 1302 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.174 1302 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.174 1302 G C -0.645 173.980 174.900 -0.458 0.000 1.025 1302 G CA -0.797 44.199 45.100 -0.173 0.000 0.706 1302 G HN 0.292 nan 8.290 nan 0.000 0.499 1303 F N 0.671 120.665 119.950 0.074 0.000 2.445 1303 F HA 0.665 5.192 4.527 -0.000 0.000 0.348 1303 F C 0.838 176.538 175.800 -0.166 0.000 1.125 1303 F CA -0.056 57.934 58.000 -0.018 0.000 0.983 1303 F CB 1.766 40.827 39.000 0.101 0.000 1.198 1303 F HN 1.077 nan 8.300 nan 0.000 0.436 1304 G N 2.069 110.687 108.800 -0.304 0.000 2.712 1304 G HA2 0.202 4.162 3.960 -0.000 0.000 0.683 1304 G HA3 0.202 4.162 3.960 -0.000 0.000 0.683 1304 G C -1.883 172.851 174.900 -0.276 0.000 1.320 1304 G CA -0.921 43.829 45.100 -0.583 0.000 0.847 1304 G HN 1.039 nan 8.290 nan 0.000 0.553 1305 H N -0.439 118.513 119.070 -0.198 0.000 3.141 1305 H HA 0.289 4.845 4.556 -0.000 0.000 0.309 1305 H C 1.361 176.739 175.328 0.083 0.000 1.083 1305 H CA 0.186 56.270 56.048 0.060 0.000 1.466 1305 H CB 0.769 30.695 29.762 0.274 0.000 2.095 1305 H HN 0.925 nan 8.280 nan 0.000 0.467 1306 R N 2.409 123.124 120.500 0.359 0.000 2.280 1306 R HA 0.044 4.384 4.340 -0.000 0.000 0.207 1306 R C 0.232 176.612 176.300 0.134 0.000 1.043 1306 R CA 1.481 57.699 56.100 0.197 0.000 1.006 1306 R CB -0.031 30.327 30.300 0.096 0.000 0.885 1306 R HN 0.163 nan 8.270 nan 0.000 0.467 1307 V N -0.016 119.981 119.914 0.138 0.000 2.374 1307 V HA 0.005 4.125 4.120 -0.000 0.000 0.241 1307 V C 0.441 176.234 176.094 -0.502 0.000 1.034 1307 V CA 0.800 62.866 62.300 -0.390 0.000 1.037 1307 V CB -0.340 30.959 31.823 -0.874 0.000 0.682 1307 V HN 0.141 nan 8.190 nan 0.000 0.463 1308 Y N 0.290 120.515 120.300 -0.126 0.000 2.320 1308 Y HA 0.318 4.868 4.550 -0.000 0.000 0.324 1308 Y C 1.246 177.157 175.900 0.019 0.000 1.190 1308 Y CA -0.457 57.570 58.100 -0.121 0.000 1.215 1308 Y CB 0.953 39.285 38.460 -0.212 0.000 1.221 1308 Y HN -0.101 nan 8.280 nan 0.000 0.486 1309 K N 0.889 121.343 120.400 0.090 0.000 2.078 1309 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 1309 K C 0.754 177.410 176.600 0.093 0.000 1.043 1309 K CA 1.164 57.505 56.287 0.091 0.000 0.960 1309 K CB 0.162 32.680 32.500 0.031 0.000 0.761 1309 K HN 0.687 nan 8.250 nan 0.000 0.448 1310 N N -0.898 117.757 118.700 -0.075 0.000 2.499 1310 N HA 0.043 4.783 4.740 -0.000 0.000 0.182 1310 N C -0.048 175.197 175.510 -0.440 0.000 1.034 1310 N CA 0.567 53.569 53.050 -0.080 0.000 0.882 1310 N CB 0.514 39.065 38.487 0.108 0.000 1.125 1310 N HN 0.200 nan 8.380 nan 0.000 0.436 1311 Y N -1.299 118.609 120.300 -0.654 0.000 2.705 1311 Y HA 0.567 5.117 4.550 -0.000 0.000 0.332 1311 Y C -1.640 173.894 175.900 -0.611 0.000 1.221 1311 Y CA -1.548 56.034 58.100 -0.864 0.000 1.059 1311 Y CB 0.593 38.793 38.460 -0.433 0.000 1.298 1311 Y HN -0.321 nan 8.280 nan 0.000 0.459 1312 D N 2.774 122.966 120.400 -0.347 0.000 2.392 1312 D HA 0.346 4.986 4.640 -0.000 0.000 0.228 1312 D C -1.849 174.250 176.300 -0.334 0.000 1.074 1312 D CA -2.786 50.925 54.000 -0.482 0.000 0.838 1312 D CB 1.834 42.628 40.800 -0.010 0.000 1.067 1312 D HN 0.402 nan 8.370 nan 0.000 0.511 1313 P HA -0.144 nan 4.420 nan 0.000 0.222 1313 P C 0.961 178.173 177.300 -0.145 0.000 1.142 1313 P CA 0.769 63.750 63.100 -0.199 0.000 0.788 1313 P CB 0.518 32.057 31.700 -0.268 0.000 0.767 1314 R N -0.164 120.217 120.500 -0.197 0.000 2.119 1314 R HA 0.121 4.461 4.340 -0.000 0.000 0.222 1314 R C 2.519 178.774 176.300 -0.075 0.000 1.088 1314 R CA 1.031 57.052 56.100 -0.132 0.000 0.984 1314 R CB -0.744 29.445 30.300 -0.185 0.000 0.884 1314 R HN 0.123 nan 8.270 nan 0.000 0.447 1315 A N 0.775 123.579 122.820 -0.027 0.000 2.019 1315 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 1315 A C 1.953 179.449 177.584 -0.146 0.000 1.164 1315 A CA 1.681 53.736 52.037 0.029 0.000 0.644 1315 A CB -0.680 18.444 19.000 0.207 0.000 0.805 1315 A HN 0.241 nan 8.150 nan 0.000 0.449 1316 T N 0.019 114.505 114.554 -0.113 0.000 2.516 1316 T HA -0.198 4.152 4.350 -0.000 0.000 0.261 1316 T C 1.829 176.439 174.700 -0.150 0.000 1.130 1316 T CA 2.062 64.075 62.100 -0.146 0.000 1.193 1316 T CB -0.753 68.053 68.868 -0.103 0.000 0.864 1316 T HN 0.159 nan 8.240 nan 0.000 0.410 1317 V N 1.159 121.015 119.914 -0.096 0.000 2.490 1317 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 1317 V C 2.439 178.490 176.094 -0.070 0.000 1.061 1317 V CA 1.724 63.982 62.300 -0.069 0.000 1.064 1317 V CB -0.682 31.119 31.823 -0.037 0.000 0.670 1317 V HN 0.373 nan 8.190 nan 0.000 0.461 1318 M N -0.011 119.543 119.600 -0.077 0.000 2.159 1318 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 1318 M C 2.204 178.443 176.300 -0.100 0.000 1.063 1318 M CA 1.798 57.079 55.300 -0.031 0.000 1.110 1318 M CB -0.433 32.195 32.600 0.046 0.000 1.374 1318 M HN 0.163 nan 8.290 nan 0.000 0.411 1319 R N -0.242 120.039 120.500 -0.364 0.000 2.090 1319 R HA -0.129 4.211 4.340 -0.000 0.000 0.228 1319 R C 1.839 178.048 176.300 -0.152 0.000 1.110 1319 R CA 1.786 57.574 56.100 -0.519 0.000 0.973 1319 R CB -0.187 29.596 30.300 -0.862 0.000 0.869 1319 R HN 0.517 nan 8.270 nan 0.000 0.440 1320 E N -0.545 119.589 120.200 -0.109 0.000 2.058 1320 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 1320 E C 1.848 178.477 176.600 0.049 0.000 0.997 1320 E CA 1.971 58.364 56.400 -0.012 0.000 0.801 1320 E CB -0.154 29.534 29.700 -0.021 0.000 0.746 1320 E HN 0.336 nan 8.360 nan 0.000 0.450 1321 T N 0.811 115.376 114.554 0.018 0.000 2.759 1321 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 1321 T C 2.056 176.779 174.700 0.038 0.000 1.042 1321 T CA 1.014 63.130 62.100 0.026 0.000 1.140 1321 T CB -0.597 68.285 68.868 0.025 0.000 0.864 1321 T HN 0.312 nan 8.240 nan 0.000 0.455 1322 C N 1.303 120.642 119.300 0.065 0.000 2.398 1322 C HA -0.185 4.275 4.460 -0.000 0.000 0.276 1322 C C 2.666 177.715 174.990 0.098 0.000 1.222 1322 C CA 1.525 60.599 59.018 0.092 0.000 1.746 1322 C CB -1.219 26.620 27.740 0.165 0.000 2.039 1322 C HN 0.764 nan 8.230 nan 0.000 0.470 1323 H N 1.032 120.117 119.070 0.025 0.000 2.290 1323 H HA -0.124 4.432 4.556 0.000 0.000 0.298 1323 H C 2.004 177.340 175.328 0.013 0.000 1.087 1323 H CA 2.545 58.605 56.048 0.020 0.000 1.291 1323 H CB -0.675 29.092 29.762 0.008 0.000 1.369 1323 H HN 0.629 nan 8.280 nan 0.000 0.492 1324 E N -0.236 119.794 120.200 -0.283 0.000 2.097 1324 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 1324 E C 2.486 178.978 176.600 -0.181 0.000 1.000 1324 E CA 1.536 57.748 56.400 -0.313 0.000 0.804 1324 E CB -0.133 29.488 29.700 -0.131 0.000 0.740 1324 E HN 0.333 nan 8.360 nan 0.000 0.454 1325 V N 1.547 121.409 119.914 -0.087 0.000 2.270 1325 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 1325 V C 2.357 178.422 176.094 -0.049 0.000 1.043 1325 V CA 1.451 63.722 62.300 -0.049 0.000 1.014 1325 V CB -0.464 31.351 31.823 -0.013 0.000 0.645 1325 V HN 0.244 nan 8.190 nan 0.000 0.447 1326 L N -0.066 121.139 121.223 -0.031 0.000 2.012 1326 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 1326 L C 2.594 179.445 176.870 -0.032 0.000 1.073 1326 L CA 2.153 56.987 54.840 -0.010 0.000 0.748 1326 L CB -0.732 41.347 42.059 0.034 0.000 0.891 1326 L HN 0.354 nan 8.230 nan 0.000 0.431 1327 K N 0.559 120.910 120.400 -0.082 0.000 1.987 1327 K HA -0.309 4.011 4.320 -0.000 0.000 0.216 1327 K C 2.066 178.618 176.600 -0.080 0.000 1.051 1327 K CA 2.237 58.461 56.287 -0.104 0.000 0.942 1327 K CB -0.144 32.183 32.500 -0.288 0.000 0.722 1327 K HN 0.109 nan 8.250 nan 0.000 0.444 1328 E N 1.016 121.157 120.200 -0.099 0.000 2.026 1328 E HA -0.226 4.124 4.350 -0.000 0.000 0.206 1328 E C 2.050 178.620 176.600 -0.051 0.000 1.028 1328 E CA 2.185 58.544 56.400 -0.070 0.000 0.845 1328 E CB -0.635 29.024 29.700 -0.068 0.000 0.772 1328 E HN 0.453 nan 8.360 nan 0.000 0.462 1329 L N -0.869 120.326 121.223 -0.047 0.000 2.042 1329 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 1329 L C 2.307 179.157 176.870 -0.033 0.000 1.076 1329 L CA 1.125 55.940 54.840 -0.041 0.000 0.749 1329 L CB -1.049 40.986 42.059 -0.040 0.000 0.893 1329 L HN 0.603 nan 8.230 nan 0.000 0.432 1330 G N -0.518 108.267 108.800 -0.025 0.000 5.186 1330 G HA2 -0.510 3.450 3.960 -0.000 0.000 0.291 1330 G HA3 -0.510 3.450 3.960 -0.000 0.000 0.291 1330 G C 1.146 176.039 174.900 -0.011 0.000 1.394 1330 G CA 1.119 46.210 45.100 -0.015 0.000 1.121 1330 G HN 0.305 nan 8.290 nan 0.000 0.802 1331 T N 0.625 115.169 114.554 -0.017 0.000 3.317 1331 T HA 0.409 4.759 4.350 -0.000 0.000 0.250 1331 T C 0.898 175.587 174.700 -0.018 0.000 1.106 1331 T CA 1.567 63.657 62.100 -0.015 0.000 0.986 1331 T CB -0.244 68.613 68.868 -0.018 0.000 1.010 1331 T HN 0.340 nan 8.240 nan 0.000 0.560 1332 K N 1.318 121.706 120.400 -0.020 0.000 3.012 1332 K HA 0.258 4.578 4.320 -0.000 0.000 0.207 1332 K C 0.156 176.747 176.600 -0.015 0.000 1.130 1332 K CA -0.154 56.119 56.287 -0.024 0.000 1.021 1332 K CB 0.823 33.298 32.500 -0.042 0.000 0.736 1332 K HN 0.393 nan 8.250 nan 0.000 0.448 1333 D N -2.511 117.886 120.400 -0.005 0.000 2.151 1333 D HA -0.064 4.576 4.640 -0.000 0.000 0.260 1333 D C 0.676 176.983 176.300 0.012 0.000 1.358 1333 D CA -0.079 53.923 54.000 0.003 0.000 1.309 1333 D CB -0.188 40.614 40.800 0.003 0.000 2.149 1333 D HN -0.135 nan 8.370 nan 0.000 0.379 1334 D N 1.941 122.349 120.400 0.013 0.000 2.339 1334 D HA -0.209 4.431 4.640 -0.000 0.000 0.189 1334 D C 2.332 178.644 176.300 0.019 0.000 1.022 1334 D CA 2.853 56.863 54.000 0.018 0.000 0.884 1334 D CB -0.465 40.343 40.800 0.013 0.000 0.916 1334 D HN 0.436 nan 8.370 nan 0.000 0.453 1335 L N -1.279 119.953 121.223 0.015 0.000 2.043 1335 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 1335 L C 1.790 178.673 176.870 0.022 0.000 1.075 1335 L CA 1.336 56.186 54.840 0.016 0.000 0.752 1335 L CB -1.045 41.022 42.059 0.014 0.000 0.891 1335 L HN 0.017 nan 8.230 nan 0.000 0.432 1336 L N 0.712 121.948 121.223 0.022 0.000 2.713 1336 L HA 0.112 4.452 4.340 -0.000 0.000 0.245 1336 L C 1.235 178.126 176.870 0.034 0.000 1.169 1336 L CA 0.725 55.581 54.840 0.026 0.000 0.962 1336 L CB -1.297 40.773 42.059 0.018 0.000 1.161 1336 L HN 0.314 nan 8.230 nan 0.000 0.427 1337 E N -0.640 119.583 120.200 0.038 0.000 2.296 1337 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 1337 E C 1.757 178.391 176.600 0.057 0.000 1.143 1337 E CA 0.369 56.799 56.400 0.050 0.000 1.145 1337 E CB -0.235 29.492 29.700 0.045 0.000 1.215 1337 E HN 0.449 nan 8.360 nan 0.000 0.447 1338 V N -3.101 116.848 119.914 0.059 0.000 3.541 1338 V HA 0.230 4.350 4.120 -0.000 0.000 0.267 1338 V C 1.890 178.049 176.094 0.109 0.000 1.213 1338 V CA 0.869 63.209 62.300 0.067 0.000 1.149 1338 V CB 0.121 31.980 31.823 0.059 0.000 0.822 1338 V HN 0.143 nan 8.190 nan 0.000 0.462 1339 A N 0.988 123.881 122.820 0.120 0.000 1.855 1339 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 1339 A C 2.220 179.969 177.584 0.276 0.000 1.191 1339 A CA 2.160 54.322 52.037 0.208 0.000 0.613 1339 A CB -0.565 18.494 19.000 0.099 0.000 0.829 1339 A HN 0.493 nan 8.150 nan 0.000 0.442 1340 M N -1.068 118.644 119.600 0.185 0.000 2.195 1340 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 1340 M C 2.068 178.432 176.300 0.106 0.000 1.066 1340 M CA 1.931 57.324 55.300 0.155 0.000 1.089 1340 M CB -0.277 32.386 32.600 0.105 0.000 1.377 1340 M HN 0.445 nan 8.290 nan 0.000 0.411 1341 E N 0.629 120.880 120.200 0.085 0.000 2.158 1341 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 1341 E C 1.805 178.413 176.600 0.013 0.000 0.982 1341 E CA 0.891 57.311 56.400 0.033 0.000 0.823 1341 E CB -0.163 29.549 29.700 0.020 0.000 0.766 1341 E HN 0.454 nan 8.360 nan 0.000 0.468 1342 L N 0.392 121.671 121.223 0.093 0.000 2.027 1342 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 1342 L C 2.587 179.449 176.870 -0.014 0.000 1.074 1342 L CA 1.687 56.583 54.840 0.094 0.000 0.745 1342 L CB -0.403 41.874 42.059 0.364 0.000 0.898 1342 L HN 0.270 nan 8.230 nan 0.000 0.433 1343 E N 0.562 120.803 120.200 0.068 0.000 2.051 1343 E HA -0.295 4.054 4.350 -0.000 0.000 0.192 1343 E C 1.897 178.450 176.600 -0.079 0.000 0.991 1343 E CA 1.738 58.098 56.400 -0.066 0.000 0.799 1343 E CB -0.025 29.730 29.700 0.092 0.000 0.748 1343 E HN 0.389 nan 8.360 nan 0.000 0.449 1344 N N 0.471 119.147 118.700 -0.040 0.000 2.104 1344 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 1344 N C 1.875 177.297 175.510 -0.147 0.000 1.024 1344 N CA 1.700 54.714 53.050 -0.060 0.000 0.853 1344 N CB -0.198 38.270 38.487 -0.031 0.000 1.008 1344 N HN 0.227 nan 8.380 nan 0.000 0.424 1345 I N 0.260 120.689 120.570 -0.236 0.000 2.118 1345 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 1345 I C 2.264 178.019 176.117 -0.604 0.000 1.070 1345 I CA 1.395 62.454 61.300 -0.402 0.000 1.327 1345 I CB -0.615 37.069 38.000 -0.526 0.000 1.034 1345 I HN 0.270 nan 8.210 nan 0.000 0.405 1346 A N 0.469 122.834 122.820 -0.758 0.000 2.076 1346 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 1346 A C 2.206 179.699 177.584 -0.152 0.000 1.160 1346 A CA 1.352 53.011 52.037 -0.630 0.000 0.653 1346 A CB -0.651 18.101 19.000 -0.414 0.000 0.801 1346 A HN 0.469 nan 8.150 nan 0.000 0.455 1347 L N -1.306 119.848 121.223 -0.114 0.000 2.375 1347 L HA 0.050 4.390 4.340 -0.000 0.000 0.215 1347 L C 1.403 178.266 176.870 -0.012 0.000 1.108 1347 L CA 0.548 55.378 54.840 -0.017 0.000 0.830 1347 L CB -0.168 41.888 42.059 -0.004 0.000 0.959 1347 L HN 0.372 nan 8.230 nan 0.000 0.457 1348 N N -2.147 116.525 118.700 -0.047 0.000 2.266 1348 N HA -0.003 4.737 4.740 -0.000 0.000 0.217 1348 N C 0.183 175.692 175.510 -0.001 0.000 1.211 1348 N CA -0.004 53.036 53.050 -0.017 0.000 0.881 1348 N CB 0.710 39.184 38.487 -0.022 0.000 1.153 1348 N HN 0.111 nan 8.380 nan 0.000 0.489 1349 D N 3.193 123.577 120.400 -0.028 0.000 2.434 1349 D HA 0.031 4.671 4.640 -0.000 0.000 0.252 1349 D C -1.581 174.803 176.300 0.140 0.000 1.185 1349 D CA -1.233 52.798 54.000 0.052 0.000 0.886 1349 D CB 1.905 42.728 40.800 0.039 0.000 1.148 1349 D HN -0.003 nan 8.370 nan 0.000 0.483 1350 P HA -0.143 nan 4.420 nan 0.000 0.219 1350 P C 1.077 178.474 177.300 0.162 0.000 1.146 1350 P CA 0.938 64.108 63.100 0.116 0.000 0.808 1350 P CB -0.040 31.713 31.700 0.088 0.000 0.779 1351 Y N -1.639 118.692 120.300 0.052 0.000 2.263 1351 Y HA -0.175 4.375 4.550 -0.000 0.000 0.292 1351 Y C 1.831 177.644 175.900 -0.145 0.000 1.130 1351 Y CA 1.058 59.129 58.100 -0.048 0.000 1.179 1351 Y CB -0.264 38.166 38.460 -0.050 0.000 0.998 1351 Y HN -0.176 nan 8.280 nan 0.000 0.532 1352 F N -0.266 119.577 119.950 -0.179 0.000 2.187 1352 F HA -0.169 4.357 4.527 -0.000 0.000 0.295 1352 F C 2.117 177.814 175.800 -0.171 0.000 1.091 1352 F CA 0.737 58.564 58.000 -0.287 0.000 1.308 1352 F CB -0.492 38.354 39.000 -0.258 0.000 1.030 1352 F HN 0.004 nan 8.300 nan 0.000 0.487 1353 I N -0.105 120.530 120.570 0.109 0.000 2.454 1353 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 1353 I C 2.403 178.531 176.117 0.018 0.000 1.156 1353 I CA 1.254 62.596 61.300 0.070 0.000 1.433 1353 I CB -0.904 37.136 38.000 0.067 0.000 1.082 1353 I HN 0.230 nan 8.210 nan 0.000 0.432 1354 E N 1.975 122.159 120.200 -0.027 0.000 2.015 1354 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 1354 E C 2.010 178.534 176.600 -0.126 0.000 0.991 1354 E CA 1.296 57.659 56.400 -0.062 0.000 0.802 1354 E CB -0.073 29.591 29.700 -0.060 0.000 0.759 1354 E HN 0.360 nan 8.360 nan 0.000 0.447 1355 K N 0.505 120.739 120.400 -0.276 0.000 2.525 1355 K HA -0.046 4.274 4.320 -0.000 0.000 0.192 1355 K C -0.040 176.448 176.600 -0.186 0.000 1.029 1355 K CA 0.233 56.333 56.287 -0.311 0.000 1.029 1355 K CB 0.106 32.239 32.500 -0.612 0.000 0.814 1355 K HN -0.020 nan 8.250 nan 0.000 0.503 1356 K N 0.325 120.678 120.400 -0.078 0.000 3.069 1356 K HA -0.185 4.135 4.320 -0.000 0.000 0.267 1356 K C -0.419 176.163 176.600 -0.031 0.000 1.082 1356 K CA 0.627 56.949 56.287 0.058 0.000 0.782 1356 K CB -2.062 30.509 32.500 0.118 0.000 1.230 1356 K HN 0.332 nan 8.250 nan 0.000 0.488 1357 L N 2.536 123.691 121.223 -0.113 0.000 2.416 1357 L HA 0.033 4.373 4.340 -0.000 0.000 0.243 1357 L C 0.710 177.667 176.870 0.144 0.000 1.373 1357 L CA -0.478 54.297 54.840 -0.107 0.000 1.227 1357 L CB -0.901 40.982 42.059 -0.293 0.000 1.428 1357 L HN 0.085 nan 8.230 nan 0.000 0.425 1358 Y N 0.115 120.561 120.300 0.243 0.000 2.304 1358 Y HA 0.515 5.065 4.550 -0.000 0.000 0.327 1358 Y C -2.444 173.622 175.900 0.278 0.000 1.209 1358 Y CA -4.266 53.982 58.100 0.246 0.000 1.299 1358 Y CB -0.613 37.958 38.460 0.184 0.000 1.249 1358 Y HN 0.120 nan 8.280 nan 0.000 0.519 1359 P HA 0.070 nan 4.420 nan 0.000 0.266 1359 P C -0.960 176.505 177.300 0.274 0.000 1.215 1359 P CA 0.077 63.156 63.100 -0.034 0.000 0.763 1359 P CB 0.437 31.904 31.700 -0.390 0.000 0.806 1360 N N 1.903 120.702 118.700 0.165 0.000 2.538 1360 N HA 0.111 4.851 4.740 -0.000 0.000 0.292 1360 N C 0.924 176.607 175.510 0.288 0.000 1.262 1360 N CA -0.797 52.443 53.050 0.316 0.000 0.976 1360 N CB -0.402 38.260 38.487 0.292 0.000 1.161 1360 N HN 0.037 nan 8.380 nan 0.000 0.598 1361 V N -0.312 119.736 119.914 0.223 0.000 2.568 1361 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 1361 V C 0.725 176.888 176.094 0.114 0.000 1.072 1361 V CA 2.074 64.472 62.300 0.163 0.000 1.084 1361 V CB -0.831 30.948 31.823 -0.074 0.000 0.676 1361 V HN 0.585 nan 8.190 nan 0.000 0.469 1362 D N -0.979 119.457 120.400 0.061 0.000 2.317 1362 D HA -0.101 4.539 4.640 -0.000 0.000 0.211 1362 D C 1.712 178.018 176.300 0.009 0.000 0.966 1362 D CA 0.966 55.001 54.000 0.059 0.000 0.876 1362 D CB -0.074 40.782 40.800 0.094 0.000 0.927 1362 D HN 0.602 nan 8.370 nan 0.000 0.519 1363 F N 0.739 120.550 119.950 -0.232 0.000 2.084 1363 F HA -0.204 4.323 4.527 0.000 0.000 0.296 1363 F C 1.879 177.440 175.800 -0.398 0.000 1.111 1363 F CA 1.371 59.099 58.000 -0.453 0.000 1.224 1363 F CB -0.515 38.006 39.000 -0.798 0.000 0.991 1363 F HN -0.109 nan 8.300 nan 0.000 0.471 1364 Y N -0.174 120.112 120.300 -0.022 0.000 2.373 1364 Y HA -0.114 4.436 4.550 -0.000 0.000 0.293 1364 Y C 2.719 178.549 175.900 -0.116 0.000 1.129 1364 Y CA 1.145 59.187 58.100 -0.097 0.000 1.226 1364 Y CB -0.943 37.556 38.460 0.065 0.000 1.000 1364 Y HN 0.015 nan 8.280 nan 0.000 0.549 1365 S N -0.110 115.622 115.700 0.053 0.000 2.355 1365 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 1365 S C 2.429 176.943 174.600 -0.143 0.000 1.031 1365 S CA 1.171 59.399 58.200 0.047 0.000 0.993 1365 S CB -0.927 62.380 63.200 0.178 0.000 0.859 1365 S HN 0.656 nan 8.310 nan 0.000 0.453 1366 G N 1.719 110.352 108.800 -0.278 0.000 2.442 1366 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 1366 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 1366 G C 1.330 175.983 174.900 -0.411 0.000 1.141 1366 G CA 0.676 45.423 45.100 -0.588 0.000 0.763 1366 G HN 0.481 nan 8.290 nan 0.000 0.554 1367 I N 0.456 120.823 120.570 -0.338 0.000 2.226 1367 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 1367 I C 2.649 178.694 176.117 -0.119 0.000 1.100 1367 I CA 0.867 62.025 61.300 -0.236 0.000 1.374 1367 I CB -0.193 37.642 38.000 -0.275 0.000 1.057 1367 I HN 0.159 nan 8.210 nan 0.000 0.413 1368 I N 0.444 120.958 120.570 -0.093 0.000 2.252 1368 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1368 I C 2.402 178.501 176.117 -0.029 0.000 1.102 1368 I CA 1.417 62.697 61.300 -0.033 0.000 1.385 1368 I CB -0.239 37.762 38.000 0.002 0.000 1.064 1368 I HN 0.203 nan 8.210 nan 0.000 0.414 1369 L N 0.287 121.454 121.223 -0.094 0.000 2.109 1369 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 1369 L C 2.418 179.349 176.870 0.102 0.000 1.086 1369 L CA 1.312 56.137 54.840 -0.024 0.000 0.760 1369 L CB -0.540 41.382 42.059 -0.229 0.000 0.910 1369 L HN 0.143 nan 8.230 nan 0.000 0.437 1370 K N 0.094 120.532 120.400 0.064 0.000 2.283 1370 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 1370 K C 2.106 178.746 176.600 0.066 0.000 1.048 1370 K CA 1.068 57.443 56.287 0.147 0.000 0.948 1370 K CB -0.061 32.510 32.500 0.119 0.000 0.742 1370 K HN 0.284 nan 8.250 nan 0.000 0.458 1371 A N 0.639 123.473 122.820 0.023 0.000 1.975 1371 A HA -0.001 4.318 4.320 -0.000 0.000 0.215 1371 A C 1.875 179.453 177.584 -0.011 0.000 1.170 1371 A CA 0.692 52.730 52.037 0.003 0.000 0.656 1371 A CB -0.172 18.824 19.000 -0.008 0.000 0.821 1371 A HN 0.142 nan 8.150 nan 0.000 0.449 1372 M N -0.967 118.639 119.600 0.009 0.000 2.619 1372 M HA 0.144 4.624 4.480 -0.000 0.000 0.251 1372 M C 1.209 177.443 176.300 -0.109 0.000 1.106 1372 M CA 0.908 56.194 55.300 -0.022 0.000 1.086 1372 M CB 0.145 32.793 32.600 0.080 0.000 1.465 1372 M HN 0.603 nan 8.290 nan 0.000 0.506 1373 G N 1.987 110.780 108.800 -0.013 0.000 2.164 1373 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 1373 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 1373 G C -0.178 174.823 174.900 0.169 0.000 1.031 1373 G CA -0.522 44.573 45.100 -0.008 0.000 0.730 1373 G HN 0.440 nan 8.290 nan 0.000 0.501 1374 I N 2.224 122.917 120.570 0.204 0.000 2.336 1374 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 1374 I C -1.494 174.678 176.117 0.092 0.000 0.991 1374 I CA -2.485 58.903 61.300 0.148 0.000 1.227 1374 I CB 1.736 39.854 38.000 0.195 0.000 1.366 1374 I HN -0.047 nan 8.210 nan 0.000 0.466 1375 P HA 0.045 nan 4.420 nan 0.000 0.271 1375 P C 0.555 177.439 177.300 -0.693 0.000 1.218 1375 P CA -0.283 62.694 63.100 -0.206 0.000 0.780 1375 P CB 1.018 32.675 31.700 -0.071 0.000 0.901 1376 S N 0.641 115.821 115.700 -0.867 0.000 2.500 1376 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 1376 S C 1.431 175.506 174.600 -0.875 0.000 0.989 1376 S CA 1.120 58.416 58.200 -1.506 0.000 0.951 1376 S CB -1.257 61.570 63.200 -0.622 0.000 0.759 1376 S HN 0.572 nan 8.310 nan 0.000 0.523 1377 S N -0.197 115.199 115.700 -0.506 0.000 2.671 1377 S HA 0.340 4.810 4.470 -0.000 0.000 0.220 1377 S C 1.141 175.529 174.600 -0.353 0.000 0.951 1377 S CA -0.272 57.713 58.200 -0.358 0.000 0.932 1377 S CB -0.147 62.814 63.200 -0.399 0.000 0.777 1377 S HN 0.366 nan 8.310 nan 0.000 0.508 1378 M N -0.309 119.070 119.600 -0.368 0.000 2.296 1378 M HA 0.413 4.893 4.480 -0.000 0.000 0.291 1378 M C 0.935 177.147 176.300 -0.146 0.000 1.013 1378 M CA -0.117 55.053 55.300 -0.216 0.000 1.089 1378 M CB -0.781 31.709 32.600 -0.184 0.000 1.677 1378 M HN 0.370 nan 8.290 nan 0.000 0.584 1379 F N 0.996 120.744 119.950 -0.336 0.000 2.065 1379 F HA -0.277 4.250 4.527 0.000 0.000 0.298 1379 F C 2.126 177.292 175.800 -1.057 0.000 1.112 1379 F CA 1.327 58.923 58.000 -0.673 0.000 1.212 1379 F CB -0.647 38.047 39.000 -0.510 0.000 0.975 1379 F HN 0.123 nan 8.300 nan 0.000 0.476 1380 T N -0.426 113.910 114.554 -0.364 0.000 2.995 1380 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 1380 T C 1.932 176.544 174.700 -0.147 0.000 1.091 1380 T CA 0.541 62.509 62.100 -0.220 0.000 1.128 1380 T CB -0.237 68.657 68.868 0.044 0.000 0.891 1380 T HN 0.026 nan 8.240 nan 0.000 0.492 1381 V N 1.321 121.129 119.914 -0.177 0.000 2.358 1381 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 1381 V C 2.309 178.324 176.094 -0.131 0.000 1.047 1381 V CA 1.291 63.514 62.300 -0.129 0.000 1.035 1381 V CB -0.458 31.291 31.823 -0.123 0.000 0.658 1381 V HN 0.495 nan 8.190 nan 0.000 0.452 1382 I N -0.883 119.568 120.570 -0.199 0.000 2.252 1382 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 1382 I C 2.328 178.374 176.117 -0.117 0.000 1.102 1382 I CA 1.789 62.962 61.300 -0.211 0.000 1.385 1382 I CB -0.374 37.512 38.000 -0.189 0.000 1.064 1382 I HN 0.243 nan 8.210 nan 0.000 0.414 1383 F N 0.831 120.639 119.950 -0.237 0.000 2.134 1383 F HA -0.248 4.279 4.527 0.000 0.000 0.299 1383 F C 2.716 178.389 175.800 -0.212 0.000 1.097 1383 F CA 0.582 58.396 58.000 -0.309 0.000 1.264 1383 F CB -0.387 38.486 39.000 -0.212 0.000 1.001 1383 F HN 0.075 nan 8.300 nan 0.000 0.479 1384 A N 0.257 123.111 122.820 0.056 0.000 1.930 1384 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 1384 A C 2.165 179.674 177.584 -0.126 0.000 1.175 1384 A CA 1.407 53.425 52.037 -0.032 0.000 0.627 1384 A CB -0.799 18.310 19.000 0.182 0.000 0.815 1384 A HN 0.463 nan 8.150 nan 0.000 0.443 1385 M N -0.158 119.391 119.600 -0.086 0.000 2.080 1385 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 1385 M C 2.211 178.449 176.300 -0.104 0.000 1.068 1385 M CA 1.996 57.238 55.300 -0.098 0.000 1.109 1385 M CB -0.254 32.224 32.600 -0.204 0.000 1.342 1385 M HN 0.394 nan 8.290 nan 0.000 0.405 1386 A N 0.107 122.830 122.820 -0.162 0.000 1.930 1386 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 1386 A C 2.036 179.587 177.584 -0.056 0.000 1.175 1386 A CA 1.709 53.663 52.037 -0.138 0.000 0.627 1386 A CB -0.610 18.282 19.000 -0.179 0.000 0.815 1386 A HN 0.560 nan 8.150 nan 0.000 0.443 1387 R N 0.083 120.423 120.500 -0.266 0.000 2.235 1387 R HA -0.020 4.319 4.340 -0.000 0.000 0.213 1387 R C 1.764 177.625 176.300 -0.732 0.000 1.059 1387 R CA 1.789 57.553 56.100 -0.560 0.000 0.997 1387 R CB -1.352 28.417 30.300 -0.884 0.000 0.884 1387 R HN 0.462 nan 8.270 nan 0.000 0.462 1388 T N -0.437 113.869 114.554 -0.414 0.000 2.720 1388 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 1388 T C 1.738 176.472 174.700 0.057 0.000 1.037 1388 T CA 1.554 63.639 62.100 -0.024 0.000 1.144 1388 T CB -0.496 68.450 68.868 0.131 0.000 0.864 1388 T HN 0.147 nan 8.240 nan 0.000 0.444 1389 V N 1.395 121.318 119.914 0.015 0.000 2.392 1389 V HA -0.108 4.012 4.120 -0.000 0.000 0.249 1389 V C 2.501 178.603 176.094 0.013 0.000 1.059 1389 V CA 2.398 64.696 62.300 -0.003 0.000 1.051 1389 V CB -1.066 30.701 31.823 -0.094 0.000 0.658 1389 V HN 0.585 nan 8.190 nan 0.000 0.455 1390 G N -1.457 107.333 108.800 -0.015 0.000 2.402 1390 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 1390 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 1390 G C 1.328 176.423 174.900 0.324 0.000 1.162 1390 G CA 0.786 45.940 45.100 0.090 0.000 0.777 1390 G HN 0.582 nan 8.290 nan 0.000 0.539 1391 W N 0.955 122.352 121.300 0.162 0.000 2.358 1391 W HA 0.069 4.729 4.660 -0.000 0.000 0.303 1391 W C 2.500 179.121 176.519 0.170 0.000 1.208 1391 W CA 0.191 57.626 57.345 0.149 0.000 1.274 1391 W CB -0.930 28.571 29.460 0.069 0.000 1.138 1391 W HN 0.189 nan 8.180 nan 0.000 0.515 1392 I N 0.173 120.944 120.570 0.334 0.000 2.226 1392 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1392 I C 2.569 178.843 176.117 0.261 0.000 1.100 1392 I CA 1.533 62.974 61.300 0.233 0.000 1.374 1392 I CB -0.942 37.115 38.000 0.094 0.000 1.057 1392 I HN -0.171 nan 8.210 nan 0.000 0.413 1393 A N 0.147 123.063 122.820 0.160 0.000 1.877 1393 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 1393 A C 2.235 179.842 177.584 0.038 0.000 1.186 1393 A CA 1.519 53.582 52.037 0.043 0.000 0.620 1393 A CB -0.947 18.011 19.000 -0.070 0.000 0.822 1393 A HN 0.422 nan 8.150 nan 0.000 0.443 1394 H N -2.889 116.280 119.070 0.164 0.000 2.353 1394 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 1394 H C 1.971 177.396 175.328 0.162 0.000 1.090 1394 H CA 1.776 57.913 56.048 0.149 0.000 1.327 1394 H CB -0.335 29.537 29.762 0.183 0.000 1.383 1394 H HN 0.806 nan 8.280 nan 0.000 0.508 1395 W N 2.145 123.528 121.300 0.138 0.000 2.335 1395 W HA -0.212 4.448 4.660 -0.000 0.000 0.311 1395 W C 2.630 179.167 176.519 0.029 0.000 1.213 1395 W CA 1.969 59.338 57.345 0.039 0.000 1.274 1395 W CB -0.363 29.131 29.460 0.056 0.000 1.148 1395 W HN -0.058 nan 8.180 nan 0.000 0.498 1396 S N 0.061 115.873 115.700 0.187 0.000 2.353 1396 S HA -0.299 4.171 4.470 -0.000 0.000 0.222 1396 S C 1.685 176.238 174.600 -0.079 0.000 1.035 1396 S CA 1.696 59.893 58.200 -0.005 0.000 1.025 1396 S CB -0.779 62.469 63.200 0.080 0.000 0.902 1396 S HN 0.465 nan 8.310 nan 0.000 0.440 1397 E N 0.897 121.068 120.200 -0.048 0.000 2.049 1397 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 1397 E C 2.164 178.713 176.600 -0.087 0.000 1.007 1397 E CA 1.291 57.651 56.400 -0.066 0.000 0.809 1397 E CB -0.212 29.445 29.700 -0.071 0.000 0.749 1397 E HN 0.326 nan 8.360 nan 0.000 0.450 1398 M N 0.304 119.837 119.600 -0.112 0.000 2.144 1398 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 1398 M C 1.511 177.675 176.300 -0.226 0.000 1.067 1398 M CA 1.922 57.121 55.300 -0.169 0.000 1.095 1398 M CB -0.689 31.786 32.600 -0.210 0.000 1.365 1398 M HN 0.284 nan 8.290 nan 0.000 0.406 1399 H N -0.700 118.192 119.070 -0.296 0.000 2.529 1399 H HA -0.023 4.533 4.556 -0.000 0.000 0.277 1399 H C 2.221 177.422 175.328 -0.211 0.000 0.999 1399 H CA 1.243 57.093 56.048 -0.330 0.000 1.256 1399 H CB 0.307 29.734 29.762 -0.557 0.000 1.402 1399 H HN 0.594 nan 8.280 nan 0.000 0.566 1400 S N -0.170 115.501 115.700 -0.049 0.000 2.446 1400 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 1400 S C 1.240 175.813 174.600 -0.044 0.000 1.016 1400 S CA 0.834 59.005 58.200 -0.048 0.000 0.943 1400 S CB 0.193 63.362 63.200 -0.051 0.000 0.786 1400 S HN 0.238 nan 8.310 nan 0.000 0.508 1401 D N 1.945 122.314 120.400 -0.051 0.000 2.338 1401 D HA 0.291 4.931 4.640 -0.000 0.000 0.239 1401 D C 1.095 177.371 176.300 -0.040 0.000 1.095 1401 D CA 0.776 54.748 54.000 -0.046 0.000 0.888 1401 D CB -0.253 40.516 40.800 -0.052 0.000 0.899 1401 D HN 0.642 nan 8.370 nan 0.000 0.525 1402 G N 1.708 110.488 108.800 -0.033 0.000 2.370 1402 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.268 1402 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.268 1402 G C 0.463 175.358 174.900 -0.009 0.000 1.122 1402 G CA 0.119 45.208 45.100 -0.019 0.000 0.963 1402 G HN 0.356 nan 8.290 nan 0.000 0.500 1403 M N -1.016 118.588 119.600 0.007 0.000 2.460 1403 M HA -0.183 4.297 4.480 -0.000 0.000 0.182 1403 M C 0.891 177.149 176.300 -0.071 0.000 0.903 1403 M CA 1.622 56.903 55.300 -0.033 0.000 0.555 1403 M CB -0.435 32.237 32.600 0.119 0.000 1.106 1403 M HN 0.679 nan 8.290 nan 0.000 0.867 1404 K N 2.973 123.317 120.400 -0.094 0.000 2.258 1404 K HA 0.001 4.321 4.320 -0.000 0.000 0.266 1404 K C -0.416 176.149 176.600 -0.058 0.000 1.204 1404 K CA 0.107 56.353 56.287 -0.068 0.000 1.206 1404 K CB -0.206 32.251 32.500 -0.072 0.000 0.854 1404 K HN 0.641 nan 8.250 nan 0.000 0.453 1405 I N 4.400 124.950 120.570 -0.033 0.000 2.705 1405 I HA -0.076 4.094 4.170 -0.000 0.000 0.291 1405 I C 0.719 176.829 176.117 -0.013 0.000 1.146 1405 I CA -0.066 61.224 61.300 -0.017 0.000 1.383 1405 I CB 0.100 38.099 38.000 -0.002 0.000 1.454 1405 I HN 0.525 nan 8.210 nan 0.000 0.581 1406 A N 8.081 130.893 122.820 -0.014 0.000 2.797 1406 A HA 0.302 4.622 4.320 -0.000 0.000 0.296 1406 A C 0.522 178.116 177.584 0.017 0.000 1.580 1406 A CA -0.285 51.747 52.037 -0.007 0.000 1.277 1406 A CB -0.401 18.594 19.000 -0.009 0.000 1.101 1406 A HN 0.748 nan 8.150 nan 0.000 0.562 1407 R N 2.920 123.433 120.500 0.021 0.000 2.564 1407 R HA 0.293 4.633 4.340 -0.000 0.000 0.282 1407 R C -2.439 173.889 176.300 0.046 0.000 1.573 1407 R CA -1.162 54.959 56.100 0.035 0.000 1.588 1407 R CB 0.494 30.811 30.300 0.027 0.000 1.154 1407 R HN 0.520 nan 8.270 nan 0.000 0.606 1408 P HA 0.005 nan 4.420 nan 0.000 0.272 1408 P C -0.238 177.108 177.300 0.078 0.000 1.248 1408 P CA -0.301 62.855 63.100 0.093 0.000 0.799 1408 P CB 0.622 32.423 31.700 0.168 0.000 0.997 1409 R N -0.147 120.401 120.500 0.081 0.000 2.893 1409 R HA 0.634 4.974 4.340 -0.000 0.000 0.245 1409 R C -0.565 175.777 176.300 0.069 0.000 1.192 1409 R CA -1.021 55.103 56.100 0.039 0.000 1.077 1409 R CB 0.794 31.072 30.300 -0.037 0.000 1.253 1409 R HN 0.562 nan 8.270 nan 0.000 0.505 1410 Q N 0.383 120.211 119.800 0.047 0.000 2.416 1410 Q HA 0.531 4.871 4.340 -0.000 0.000 0.279 1410 Q C -1.395 174.654 176.000 0.083 0.000 1.101 1410 Q CA -1.240 54.620 55.803 0.096 0.000 0.830 1410 Q CB 1.865 30.662 28.738 0.097 0.000 1.402 1410 Q HN 0.482 nan 8.270 nan 0.000 0.445 1411 L N 1.976 123.271 121.223 0.120 0.000 2.294 1411 L HA 0.416 4.756 4.340 -0.000 0.000 0.283 1411 L C -1.732 175.166 176.870 0.047 0.000 1.015 1411 L CA -0.598 54.254 54.840 0.019 0.000 0.831 1411 L CB 0.948 42.911 42.059 -0.160 0.000 1.217 1411 L HN 0.726 nan 8.230 nan 0.000 0.420 1412 Y N 3.646 123.911 120.300 -0.057 0.000 2.365 1412 Y HA 0.405 4.955 4.550 -0.000 0.000 0.340 1412 Y C 0.874 176.741 175.900 -0.055 0.000 1.016 1412 Y CA 0.510 58.586 58.100 -0.041 0.000 1.196 1412 Y CB 1.133 39.574 38.460 -0.032 0.000 1.167 1412 Y HN 0.781 nan 8.280 nan 0.000 0.509 1413 T N 1.690 115.870 114.554 -0.623 0.000 3.288 1413 T HA 0.422 4.772 4.350 -0.000 0.000 0.293 1413 T C 0.551 174.860 174.700 -0.652 0.000 1.008 1413 T CA -0.011 61.797 62.100 -0.487 0.000 0.929 1413 T CB -0.379 68.320 68.868 -0.281 0.000 1.152 1413 T HN 0.737 nan 8.240 nan 0.000 0.517 1414 G N 0.278 108.301 108.800 -1.294 0.000 2.532 1414 G HA2 0.525 4.485 3.960 -0.000 0.000 0.291 1414 G HA3 0.525 4.485 3.960 -0.000 0.000 0.291 1414 G C -0.743 174.000 174.900 -0.263 0.000 1.349 1414 G CA -1.022 43.643 45.100 -0.725 0.000 1.038 1414 G HN 0.335 nan 8.290 nan 0.000 0.518 1415 Y N 0.048 120.361 120.300 0.023 0.000 2.757 1415 Y HA 0.112 4.662 4.550 -0.000 0.000 0.344 1415 Y C 1.181 177.223 175.900 0.237 0.000 1.263 1415 Y CA 0.655 58.824 58.100 0.114 0.000 1.493 1415 Y CB 0.396 38.918 38.460 0.103 0.000 1.342 1415 Y HN 0.402 nan 8.280 nan 0.000 0.627 1416 E N 1.549 121.954 120.200 0.342 0.000 2.312 1416 E HA 0.161 4.511 4.350 -0.000 0.000 0.259 1416 E C -0.364 176.345 176.600 0.182 0.000 1.122 1416 E CA -0.969 55.569 56.400 0.229 0.000 0.922 1416 E CB 0.360 30.150 29.700 0.150 0.000 1.109 1416 E HN 0.207 nan 8.360 nan 0.000 0.442 1417 K N 2.006 122.465 120.400 0.099 0.000 2.550 1417 K HA -0.074 4.246 4.320 -0.000 0.000 0.280 1417 K C -0.599 176.037 176.600 0.060 0.000 0.987 1417 K CA 0.500 56.823 56.287 0.061 0.000 1.048 1417 K CB 0.164 32.681 32.500 0.028 0.000 0.879 1417 K HN 0.694 nan 8.250 nan 0.000 0.491 1418 R N 1.822 122.342 120.500 0.034 0.000 2.668 1418 R HA 0.352 4.692 4.340 -0.000 0.000 0.272 1418 R C -1.167 175.144 176.300 0.017 0.000 1.019 1418 R CA -1.002 55.104 56.100 0.010 0.000 0.894 1418 R CB 0.829 31.100 30.300 -0.048 0.000 1.228 1418 R HN 0.334 nan 8.270 nan 0.000 0.460 1419 D N 1.723 122.132 120.400 0.015 0.000 2.414 1419 D HA 0.066 4.706 4.640 -0.000 0.000 0.242 1419 D C -0.938 175.397 176.300 0.058 0.000 1.129 1419 D CA 0.329 54.350 54.000 0.035 0.000 0.885 1419 D CB 0.714 41.518 40.800 0.006 0.000 1.198 1419 D HN 0.368 nan 8.370 nan 0.000 0.437 1420 F N 2.247 122.171 119.950 -0.043 0.000 2.385 1420 F HA 0.274 4.801 4.527 -0.000 0.000 0.360 1420 F C -0.069 175.710 175.800 -0.035 0.000 1.122 1420 F CA -0.873 57.100 58.000 -0.045 0.000 1.090 1420 F CB 0.785 39.762 39.000 -0.039 0.000 1.150 1420 F HN -0.050 nan 8.300 nan 0.000 0.472 1421 K N 4.832 124.780 120.400 -0.754 0.000 2.507 1421 K HA 0.320 4.640 4.320 -0.000 0.000 0.253 1421 K C -1.304 174.834 176.600 -0.770 0.000 0.969 1421 K CA -0.415 55.511 56.287 -0.601 0.000 0.908 1421 K CB 1.458 33.784 32.500 -0.290 0.000 1.127 1421 K HN 0.449 nan 8.250 nan 0.000 0.437 1422 S N 3.402 118.648 115.700 -0.756 0.000 2.422 1422 S HA 0.276 4.746 4.470 -0.000 0.000 0.308 1422 S C -0.453 174.032 174.600 -0.192 0.000 1.097 1422 S CA -0.533 57.401 58.200 -0.443 0.000 1.099 1422 S CB 0.637 63.709 63.200 -0.212 0.000 0.976 1422 S HN 0.635 nan 8.310 nan 0.000 0.471 1423 D N 3.381 123.698 120.400 -0.140 0.000 2.407 1423 D HA 0.211 4.851 4.640 -0.000 0.000 0.208 1423 D C 1.064 177.337 176.300 -0.046 0.000 1.083 1423 D CA -0.003 53.948 54.000 -0.082 0.000 0.844 1423 D CB 0.160 40.913 40.800 -0.077 0.000 0.967 1423 D HN 0.748 nan 8.370 nan 0.000 0.506 1424 I N -2.417 118.132 120.570 -0.036 0.000 3.394 1424 I HA 0.281 4.451 4.170 -0.000 0.000 0.264 1424 I C 0.497 176.615 176.117 0.003 0.000 1.184 1424 I CA -0.463 60.830 61.300 -0.011 0.000 0.890 1424 I CB 0.769 38.771 38.000 0.002 0.000 1.619 1424 I HN -0.351 nan 8.210 nan 0.000 0.820 1425 K N -0.103 120.303 120.400 0.010 0.000 1.893 1425 K HA 0.524 4.844 4.320 -0.000 0.000 0.252 1425 K C -0.987 175.623 176.600 0.017 0.000 0.877 1425 K CA -0.802 55.493 56.287 0.014 0.000 0.735 1425 K CB 1.119 33.623 32.500 0.007 0.000 1.814 1425 K HN 0.623 nan 8.250 nan 0.000 0.602 1426 R N 0.000 120.508 120.500 0.014 0.000 2.786 1426 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1426 R CA 0.000 56.108 56.100 0.014 0.000 0.921 1426 R CB 0.000 30.309 30.300 0.014 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535