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 3l98_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 0.000 177.583 177.584 -0.002 0.000 1.274 1001 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 1001 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 1002 D N 1.197 121.598 120.400 0.001 0.000 2.435 1002 D HA -0.003 4.637 4.640 0.000 0.000 0.257 1002 D C 1.480 177.782 176.300 0.003 0.000 1.290 1002 D CA 1.662 55.664 54.000 0.003 0.000 0.994 1002 D CB 0.628 41.431 40.800 0.005 0.000 1.014 1002 D HN 0.547 nan 8.370 nan 0.000 0.378 1003 T N 0.616 115.173 114.554 0.005 0.000 3.317 1003 T HA 0.034 4.384 4.350 0.000 0.000 0.250 1003 T C 0.045 174.748 174.700 0.005 0.000 1.106 1003 T CA -0.059 62.044 62.100 0.005 0.000 0.986 1003 T CB -0.243 68.629 68.868 0.007 0.000 1.010 1003 T HN -0.063 nan 8.240 nan 0.000 0.560 1004 K N 1.546 121.948 120.400 0.004 0.000 2.559 1004 K HA 0.524 4.845 4.320 0.000 0.000 0.236 1004 K C 0.693 177.293 176.600 0.001 0.000 1.185 1004 K CA -0.204 56.084 56.287 0.003 0.000 1.157 1004 K CB 0.477 32.979 32.500 0.003 0.000 1.782 1004 K HN 0.291 nan 8.250 nan 0.000 0.419 1005 A N 2.284 125.105 122.820 0.001 0.000 2.383 1005 A HA 0.153 4.473 4.320 0.000 0.000 0.225 1005 A C 0.200 177.784 177.584 0.000 0.000 1.946 1005 A CA 0.753 52.790 52.037 0.000 0.000 0.739 1005 A CB 0.012 19.013 19.000 0.001 0.000 1.405 1005 A HN 0.423 nan 8.150 nan 0.000 0.548 1006 K N -0.558 119.843 120.400 0.001 0.000 2.498 1006 K HA 0.646 4.966 4.320 0.000 0.000 0.254 1006 K C -1.167 175.435 176.600 0.002 0.000 0.933 1006 K CA -0.506 55.782 56.287 0.001 0.000 0.806 1006 K CB 1.311 33.812 32.500 0.001 0.000 1.301 1006 K HN 0.702 nan 8.250 nan 0.000 0.432 1007 L N -1.298 119.927 121.223 0.003 0.000 2.388 1007 L HA 0.820 5.160 4.340 0.000 0.000 0.264 1007 L C -1.110 175.763 176.870 0.005 0.000 0.998 1007 L CA -0.493 54.350 54.840 0.004 0.000 0.817 1007 L CB 2.664 44.727 42.059 0.005 0.000 1.338 1007 L HN 0.645 nan 8.230 nan 0.000 0.414 1008 T N 3.415 117.972 114.554 0.005 0.000 2.812 1008 T HA 0.573 4.923 4.350 0.000 0.000 0.282 1008 T C -0.877 173.827 174.700 0.007 0.000 0.990 1008 T CA -0.287 61.817 62.100 0.005 0.000 0.960 1008 T CB 1.549 70.420 68.868 0.004 0.000 0.948 1008 T HN 0.652 nan 8.240 nan 0.000 0.438 1009 L N 4.319 125.547 121.223 0.008 0.000 2.276 1009 L HA 0.509 4.849 4.340 0.000 0.000 0.286 1009 L C -0.582 176.293 176.870 0.008 0.000 1.061 1009 L CA -0.184 54.662 54.840 0.010 0.000 0.807 1009 L CB 0.355 42.422 42.059 0.013 0.000 1.177 1009 L HN 0.489 nan 8.230 nan 0.000 0.429 1010 N N 3.981 122.686 118.700 0.008 0.000 2.407 1010 N HA 0.502 5.242 4.740 0.000 0.000 0.277 1010 N C 0.085 175.598 175.510 0.005 0.000 0.995 1010 N CA 0.063 53.117 53.050 0.005 0.000 0.903 1010 N CB 2.044 40.534 38.487 0.004 0.000 1.218 1010 N HN 0.837 nan 8.380 nan 0.000 0.487 1011 G N 0.474 109.275 108.800 0.002 0.000 2.478 1011 G HA2 0.040 4.000 3.960 0.000 0.000 0.211 1011 G HA3 0.040 4.000 3.960 0.000 0.000 0.211 1011 G C 0.166 175.064 174.900 -0.002 0.000 1.726 1011 G CA 0.177 45.277 45.100 -0.000 0.000 0.725 1011 G HN 0.433 nan 8.290 nan 0.000 0.654 1012 D N 0.339 120.736 120.400 -0.004 0.000 2.651 1012 D HA 0.298 4.938 4.640 0.000 0.000 0.280 1012 D C -0.546 175.751 176.300 -0.004 0.000 1.496 1012 D CA 0.316 54.313 54.000 -0.005 0.000 0.792 1012 D CB 1.655 42.451 40.800 -0.007 0.000 1.144 1012 D HN 0.189 nan 8.370 nan 0.000 0.470 1013 T N -0.023 114.529 114.554 -0.003 0.000 2.907 1013 T HA 0.490 4.840 4.350 0.000 0.000 0.344 1013 T C -1.138 173.561 174.700 -0.001 0.000 1.675 1013 T CA -0.738 61.360 62.100 -0.003 0.000 1.076 1013 T CB 1.852 70.718 68.868 -0.004 0.000 1.483 1013 T HN -0.016 nan 8.240 nan 0.000 0.487 1014 A N 1.375 124.195 122.820 -0.000 0.000 2.328 1014 A HA 0.710 5.030 4.320 0.000 0.000 0.284 1014 A C -0.302 177.283 177.584 0.002 0.000 1.160 1014 A CA -0.467 51.571 52.037 0.001 0.000 0.818 1014 A CB 0.312 19.313 19.000 0.001 0.000 1.087 1014 A HN 0.693 nan 8.150 nan 0.000 0.504 1015 V N 3.838 123.754 119.914 0.003 0.000 2.325 1015 V HA 0.199 4.319 4.120 0.000 0.000 0.280 1015 V C 0.059 176.156 176.094 0.005 0.000 1.016 1015 V CA -0.435 61.868 62.300 0.004 0.000 0.818 1015 V CB 0.881 32.708 31.823 0.007 0.000 1.019 1015 V HN 0.969 nan 8.190 nan 0.000 0.434 1016 E N 4.904 125.107 120.200 0.004 0.000 2.166 1016 E HA 0.356 4.706 4.350 0.000 0.000 0.279 1016 E C -0.842 175.761 176.600 0.004 0.000 1.095 1016 E CA -0.107 56.295 56.400 0.003 0.000 0.888 1016 E CB 0.909 30.610 29.700 0.002 0.000 1.041 1016 E HN 0.545 nan 8.360 nan 0.000 0.414 1017 L N 3.813 125.039 121.223 0.004 0.000 2.322 1017 L HA 0.280 4.620 4.340 0.000 0.000 0.279 1017 L C 0.205 177.077 176.870 0.003 0.000 1.036 1017 L CA -1.115 53.728 54.840 0.004 0.000 0.807 1017 L CB 1.126 43.189 42.059 0.006 0.000 1.226 1017 L HN 0.497 nan 8.230 nan 0.000 0.433 1018 D N 1.646 122.046 120.400 0.001 0.000 2.294 1018 D HA 0.330 4.970 4.640 0.000 0.000 0.250 1018 D C -0.396 175.903 176.300 -0.000 0.000 1.058 1018 D CA -0.468 53.532 54.000 -0.000 0.000 0.950 1018 D CB 1.867 42.666 40.800 -0.001 0.000 1.158 1018 D HN 0.036 nan 8.370 nan 0.000 0.453 1019 V N 1.356 121.270 119.914 -0.001 0.000 2.370 1019 V HA 0.182 4.302 4.120 0.000 0.000 0.279 1019 V C -0.111 175.982 176.094 -0.002 0.000 1.029 1019 V CA -0.926 61.374 62.300 -0.000 0.000 0.870 1019 V CB 1.032 32.855 31.823 0.001 0.000 0.984 1019 V HN 0.401 nan 8.190 nan 0.000 0.451 1020 L N 5.022 126.244 121.223 -0.002 0.000 2.325 1020 L HA 0.593 4.933 4.340 0.000 0.000 0.279 1020 L C 0.001 176.870 176.870 -0.002 0.000 1.054 1020 L CA -0.639 54.199 54.840 -0.003 0.000 0.804 1020 L CB 1.298 43.355 42.059 -0.003 0.000 1.200 1020 L HN 0.585 nan 8.230 nan 0.000 0.436 1021 K N 0.754 121.151 120.400 -0.005 0.000 2.207 1021 K HA 0.702 5.022 4.320 0.000 0.000 0.255 1021 K C 0.193 176.786 176.600 -0.010 0.000 0.941 1021 K CA -0.361 55.921 56.287 -0.007 0.000 0.825 1021 K CB 1.863 34.355 32.500 -0.012 0.000 1.119 1021 K HN 0.763 nan 8.250 nan 0.000 0.430 1022 G N -0.636 108.158 108.800 -0.010 0.000 2.491 1022 G HA2 0.245 4.205 3.960 0.000 0.000 0.327 1022 G HA3 0.245 4.205 3.960 0.000 0.000 0.327 1022 G C 0.720 175.590 174.900 -0.049 0.000 1.189 1022 G CA -0.611 44.480 45.100 -0.016 0.000 0.956 1022 G HN 0.641 nan 8.290 nan 0.000 0.491 1023 T N -1.939 112.570 114.554 -0.074 0.000 3.035 1023 T HA 0.166 4.516 4.350 0.000 0.000 0.268 1023 T C 0.711 175.298 174.700 -0.189 0.000 1.109 1023 T CA 0.719 62.750 62.100 -0.115 0.000 1.119 1023 T CB -0.309 68.488 68.868 -0.119 0.000 0.900 1023 T HN 0.219 nan 8.240 nan 0.000 0.503 1024 L N -0.729 120.354 121.223 -0.233 0.000 2.582 1024 L HA 0.615 4.955 4.340 0.000 0.000 0.257 1024 L C 0.564 177.350 176.870 -0.141 0.000 0.974 1024 L CA -0.467 54.133 54.840 -0.400 0.000 0.851 1024 L CB 1.890 43.296 42.059 -1.088 0.000 1.424 1024 L HN 0.414 nan 8.230 nan 0.000 0.412 1025 G N 1.281 110.099 108.800 0.031 0.000 2.508 1025 G HA2 -0.123 3.837 3.960 0.000 0.000 0.220 1025 G HA3 -0.123 3.837 3.960 0.000 0.000 0.220 1025 G C -1.092 173.872 174.900 0.107 0.000 1.287 1025 G CA -0.672 44.572 45.100 0.241 0.000 0.916 1025 G HN 0.453 nan 8.290 nan 0.000 0.574 1026 Q N 0.931 120.790 119.800 0.099 0.000 2.260 1026 Q HA 0.492 4.832 4.340 0.000 0.000 0.242 1026 Q C -0.651 175.371 176.000 0.037 0.000 0.932 1026 Q CA -0.377 55.458 55.803 0.054 0.000 0.891 1026 Q CB 1.149 29.913 28.738 0.045 0.000 1.222 1026 Q HN 0.563 nan 8.270 nan 0.000 0.453 1027 D N 0.900 121.314 120.400 0.022 0.000 2.177 1027 D HA 0.355 4.995 4.640 0.000 0.000 0.247 1027 D C -0.102 176.205 176.300 0.012 0.000 1.063 1027 D CA -0.325 53.683 54.000 0.013 0.000 0.867 1027 D CB 1.411 42.215 40.800 0.007 0.000 1.168 1027 D HN 0.264 nan 8.370 nan 0.000 0.445 1028 V N -0.971 118.948 119.914 0.008 0.000 3.096 1028 V HA 0.600 4.721 4.120 0.000 0.000 0.319 1028 V C 0.149 176.244 176.094 0.001 0.000 1.103 1028 V CA -0.991 61.312 62.300 0.005 0.000 1.016 1028 V CB 1.450 33.275 31.823 0.002 0.000 1.090 1028 V HN 0.371 nan 8.190 nan 0.000 0.449 1029 I N 1.641 122.210 120.570 -0.001 0.000 2.353 1029 I HA 0.323 4.493 4.170 0.000 0.000 0.293 1029 I C -0.254 175.860 176.117 -0.005 0.000 0.992 1029 I CA -0.168 61.131 61.300 -0.001 0.000 1.268 1029 I CB 1.278 39.279 38.000 0.001 0.000 1.387 1029 I HN 0.702 nan 8.210 nan 0.000 0.478 1030 D N 7.513 127.911 120.400 -0.003 0.000 2.343 1030 D HA 0.222 4.863 4.640 0.000 0.000 0.255 1030 D C 0.275 176.573 176.300 -0.003 0.000 1.187 1030 D CA 0.068 54.065 54.000 -0.005 0.000 0.875 1030 D CB 0.947 41.745 40.800 -0.004 0.000 1.136 1030 D HN 0.538 nan 8.370 nan 0.000 0.469 1031 I N 0.726 121.293 120.570 -0.006 0.000 3.597 1031 I HA 0.280 4.450 4.170 0.000 0.000 0.323 1031 I C 1.115 177.233 176.117 0.000 0.000 1.535 1031 I CA -0.660 60.641 61.300 0.001 0.000 1.028 1031 I CB 0.442 38.442 38.000 0.001 0.000 1.354 1031 I HN 0.043 nan 8.210 nan 0.000 0.544 1032 R N 1.214 121.711 120.500 -0.006 0.000 2.152 1032 R HA -0.073 4.267 4.340 0.000 0.000 0.232 1032 R C 1.902 178.207 176.300 0.009 0.000 1.117 1032 R CA 2.136 58.231 56.100 -0.008 0.000 0.981 1032 R CB -0.202 30.091 30.300 -0.012 0.000 0.870 1032 R HN 0.689 nan 8.270 nan 0.000 0.451 1033 T N -2.292 112.272 114.554 0.017 0.000 3.044 1033 T HA 0.177 4.527 4.350 0.000 0.000 0.250 1033 T C 1.820 176.549 174.700 0.048 0.000 1.081 1033 T CA -0.183 61.934 62.100 0.029 0.000 1.040 1033 T CB 0.044 68.923 68.868 0.018 0.000 0.962 1033 T HN 0.026 nan 8.240 nan 0.000 0.506 1034 L N 1.458 122.713 121.223 0.055 0.000 1.963 1034 L HA -0.064 4.276 4.340 0.000 0.000 0.220 1034 L C 3.096 180.043 176.870 0.128 0.000 1.076 1034 L CA 1.952 56.837 54.840 0.076 0.000 0.772 1034 L CB -1.237 40.870 42.059 0.081 0.000 0.892 1034 L HN 0.491 nan 8.230 nan 0.000 0.435 1035 G N -1.089 107.848 108.800 0.227 0.000 2.475 1035 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 1035 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 1035 G C 1.539 176.605 174.900 0.278 0.000 1.125 1035 G CA 0.980 46.363 45.100 0.470 0.000 0.755 1035 G HN 0.444 nan 8.290 nan 0.000 0.565 1036 S N -0.067 115.722 115.700 0.149 0.000 2.584 1036 S HA 0.016 4.486 4.470 0.000 0.000 0.240 1036 S C 1.444 176.072 174.600 0.048 0.000 0.975 1036 S CA 0.889 59.141 58.200 0.086 0.000 0.949 1036 S CB 0.014 63.245 63.200 0.052 0.000 0.761 1036 S HN 0.518 nan 8.310 nan 0.000 0.536 1037 K N -0.363 120.058 120.400 0.035 0.000 2.564 1037 K HA 0.339 4.660 4.320 0.000 0.000 0.201 1037 K C 1.081 177.645 176.600 -0.059 0.000 1.086 1037 K CA 0.304 56.587 56.287 -0.007 0.000 1.062 1037 K CB 1.091 33.591 32.500 -0.000 0.000 0.849 1037 K HN 0.261 nan 8.250 nan 0.000 0.529 1038 G N 1.177 109.906 108.800 -0.120 0.000 2.358 1038 G HA2 -0.288 3.672 3.960 0.000 0.000 0.224 1038 G HA3 -0.288 3.672 3.960 0.000 0.000 0.224 1038 G C 0.117 174.764 174.900 -0.423 0.000 1.073 1038 G CA 0.070 44.988 45.100 -0.303 0.000 0.635 1038 G HN 0.227 nan 8.290 nan 0.000 0.509 1039 V N 2.648 122.469 119.914 -0.155 0.000 2.485 1039 V HA 0.574 4.694 4.120 0.000 0.000 0.287 1039 V C -0.099 176.107 176.094 0.187 0.000 1.022 1039 V CA -0.144 62.130 62.300 -0.043 0.000 1.067 1039 V CB -0.046 31.788 31.823 0.020 0.000 0.967 1039 V HN 0.279 nan 8.190 nan 0.000 0.479 1040 F N 5.216 125.181 119.950 0.025 0.000 2.482 1040 F HA 0.447 4.974 4.527 0.000 0.000 0.331 1040 F C 0.764 176.598 175.800 0.057 0.000 1.115 1040 F CA -0.990 57.032 58.000 0.036 0.000 0.955 1040 F CB 2.395 41.426 39.000 0.051 0.000 1.136 1040 F HN 0.614 nan 8.300 nan 0.000 0.452 1041 T N 0.185 114.868 114.554 0.215 0.000 2.899 1041 T HA 0.398 4.748 4.350 0.000 0.000 0.284 1041 T C -0.956 173.858 174.700 0.190 0.000 1.004 1041 T CA -0.423 61.768 62.100 0.151 0.000 1.043 1041 T CB 1.706 70.608 68.868 0.057 0.000 1.013 1041 T HN 0.425 nan 8.240 nan 0.000 0.518 1042 F N 1.785 121.755 119.950 0.033 0.000 2.460 1042 F HA 0.511 5.038 4.527 0.000 0.000 0.341 1042 F C -0.810 175.003 175.800 0.022 0.000 1.130 1042 F CA -0.723 57.295 58.000 0.030 0.000 0.962 1042 F CB 1.498 40.526 39.000 0.047 0.000 1.171 1042 F HN 0.730 nan 8.300 nan 0.000 0.436 1043 D N 7.873 127.981 120.400 -0.487 0.000 2.668 1043 D HA 0.344 4.984 4.640 0.000 0.000 0.247 1043 D C -2.941 173.218 176.300 -0.236 0.000 1.268 1043 D CA -1.471 52.345 54.000 -0.308 0.000 0.842 1043 D CB 1.173 41.882 40.800 -0.150 0.000 1.399 1043 D HN 0.140 nan 8.370 nan 0.000 0.530 1044 P HA 0.418 nan 4.420 nan 0.000 0.274 1044 P C 1.033 178.353 177.300 0.033 0.000 1.246 1044 P CA 0.291 63.329 63.100 -0.104 0.000 0.795 1044 P CB 0.957 32.536 31.700 -0.201 0.000 1.006 1045 G N 0.181 108.964 108.800 -0.029 0.000 2.220 1045 G HA2 -0.342 3.618 3.960 0.000 0.000 0.269 1045 G HA3 -0.342 3.618 3.960 0.000 0.000 0.269 1045 G C 0.474 175.400 174.900 0.044 0.000 0.977 1045 G CA 0.079 45.124 45.100 -0.092 0.000 0.634 1045 G HN 0.603 nan 8.290 nan 0.000 0.539 1046 F N -0.008 119.881 119.950 -0.102 0.000 2.738 1046 F HA -0.273 4.254 4.527 0.000 0.000 0.232 1046 F C 1.967 177.729 175.800 -0.064 0.000 1.025 1046 F CA 0.856 58.805 58.000 -0.085 0.000 0.895 1046 F CB -1.864 37.092 39.000 -0.073 0.000 0.839 1046 F HN 0.561 nan 8.300 nan 0.000 0.850 1047 T N -4.343 110.279 114.554 0.113 0.000 3.043 1047 T HA -0.041 4.309 4.350 0.000 0.000 0.263 1047 T C 1.563 176.285 174.700 0.035 0.000 1.094 1047 T CA 1.116 63.248 62.100 0.053 0.000 1.127 1047 T CB 0.640 69.527 68.868 0.031 0.000 0.905 1047 T HN 0.473 nan 8.240 nan 0.000 0.490 1048 S N 0.023 115.738 115.700 0.024 0.000 2.670 1048 S HA 0.223 4.693 4.470 0.000 0.000 0.241 1048 S C 0.537 175.124 174.600 -0.022 0.000 1.077 1048 S CA -0.266 57.935 58.200 0.002 0.000 0.899 1048 S CB -0.066 63.132 63.200 -0.003 0.000 0.835 1048 S HN 0.520 nan 8.310 nan 0.000 0.481 1049 T N 3.107 117.625 114.554 -0.060 0.000 2.834 1049 T HA 0.248 4.598 4.350 0.000 0.000 0.298 1049 T C -0.314 174.339 174.700 -0.078 0.000 0.966 1049 T CA 0.375 62.399 62.100 -0.127 0.000 1.141 1049 T CB 0.949 69.625 68.868 -0.320 0.000 0.905 1049 T HN 0.178 nan 8.240 nan 0.000 0.535 1050 T N 3.320 117.837 114.554 -0.062 0.000 2.739 1050 T HA 0.144 4.494 4.350 0.000 0.000 0.298 1050 T C 1.779 176.457 174.700 -0.037 0.000 0.929 1050 T CA -0.446 61.639 62.100 -0.025 0.000 1.014 1050 T CB 0.534 69.395 68.868 -0.011 0.000 0.914 1050 T HN 0.787 nan 8.240 nan 0.000 0.509 1051 S N 2.527 118.222 115.700 -0.007 0.000 2.392 1051 S HA -0.138 4.332 4.470 0.000 0.000 0.232 1051 S C 1.139 175.738 174.600 -0.001 0.000 1.041 1051 S CA 0.785 58.985 58.200 0.001 0.000 1.026 1051 S CB -0.834 62.411 63.200 0.076 0.000 0.845 1051 S HN 0.995 nan 8.310 nan 0.000 0.465 1052 C N -1.495 117.814 119.300 0.015 0.000 3.233 1052 C HA 0.730 5.190 4.460 0.000 0.000 0.358 1052 C C -1.283 173.723 174.990 0.027 0.000 1.461 1052 C CA -0.983 58.045 59.018 0.017 0.000 1.180 1052 C CB 0.887 28.648 27.740 0.035 0.000 1.604 1052 C HN 0.610 nan 8.230 nan 0.000 0.437 1053 E N 1.148 121.363 120.200 0.025 0.000 2.171 1053 E HA 0.664 5.014 4.350 0.000 0.000 0.271 1053 E C -0.876 175.749 176.600 0.041 0.000 0.916 1053 E CA 0.111 56.528 56.400 0.029 0.000 0.774 1053 E CB 1.696 31.403 29.700 0.012 0.000 1.128 1053 E HN 0.872 nan 8.360 nan 0.000 0.403 1054 S N 3.083 118.817 115.700 0.057 0.000 2.569 1054 S HA 0.423 4.893 4.470 0.000 0.000 0.280 1054 S C -0.318 174.314 174.600 0.053 0.000 1.111 1054 S CA -0.635 57.603 58.200 0.063 0.000 0.887 1054 S CB 1.334 64.605 63.200 0.117 0.000 1.095 1054 S HN 0.607 nan 8.310 nan 0.000 0.476 1055 K N 2.338 122.754 120.400 0.027 0.000 2.438 1055 K HA 0.352 4.672 4.320 0.000 0.000 0.206 1055 K C 1.066 177.681 176.600 0.024 0.000 1.081 1055 K CA 0.074 56.373 56.287 0.019 0.000 1.053 1055 K CB 0.243 32.738 32.500 -0.007 0.000 0.908 1055 K HN 0.521 nan 8.250 nan 0.000 0.556 1056 I N 0.670 121.250 120.570 0.017 0.000 2.130 1056 I HA -0.116 4.055 4.170 0.000 0.000 0.234 1056 I C 0.639 176.838 176.117 0.137 0.000 1.067 1056 I CA 1.106 62.414 61.300 0.013 0.000 1.339 1056 I CB 0.048 37.949 38.000 -0.165 0.000 1.073 1056 I HN -0.087 nan 8.210 nan 0.000 0.405 1057 T N 0.650 115.325 114.554 0.202 0.000 2.886 1057 T HA 0.428 4.778 4.350 0.000 0.000 0.292 1057 T C -1.239 173.590 174.700 0.215 0.000 1.012 1057 T CA -0.309 61.945 62.100 0.256 0.000 0.982 1057 T CB 2.167 71.249 68.868 0.357 0.000 1.018 1057 T HN 0.012 nan 8.240 nan 0.000 0.451 1058 F N 3.662 123.632 119.950 0.034 0.000 2.482 1058 F HA 0.785 5.312 4.527 0.000 0.000 0.331 1058 F C -1.280 174.513 175.800 -0.012 0.000 1.115 1058 F CA -1.002 57.001 58.000 0.004 0.000 0.955 1058 F CB 0.772 39.766 39.000 -0.011 0.000 1.136 1058 F HN 0.431 nan 8.300 nan 0.000 0.452 1059 I N 5.210 125.165 120.570 -1.024 0.000 2.499 1059 I HA 0.232 4.402 4.170 0.000 0.000 0.288 1059 I C -1.468 174.007 176.117 -1.070 0.000 1.048 1059 I CA -0.728 60.106 61.300 -0.776 0.000 1.062 1059 I CB 1.936 39.630 38.000 -0.510 0.000 1.238 1059 I HN 0.476 nan 8.210 nan 0.000 0.426 1060 D N 4.902 124.934 120.400 -0.613 0.000 2.472 1060 D HA 0.284 4.924 4.640 0.000 0.000 0.234 1060 D C 0.991 177.214 176.300 -0.129 0.000 1.088 1060 D CA -0.262 53.562 54.000 -0.294 0.000 0.882 1060 D CB 1.799 42.637 40.800 0.063 0.000 1.037 1060 D HN 0.710 nan 8.370 nan 0.000 0.520 1061 G N 3.158 111.855 108.800 -0.172 0.000 2.586 1061 G HA2 -0.307 3.653 3.960 0.000 0.000 0.218 1061 G HA3 -0.307 3.653 3.960 0.000 0.000 0.218 1061 G C 1.062 175.957 174.900 -0.007 0.000 1.216 1061 G CA 0.678 45.706 45.100 -0.121 0.000 0.786 1061 G HN 0.495 nan 8.290 nan 0.000 0.583 1062 D N 0.407 120.805 120.400 -0.003 0.000 2.310 1062 D HA -0.024 4.616 4.640 0.000 0.000 0.212 1062 D C 2.019 178.336 176.300 0.029 0.000 0.965 1062 D CA 0.594 54.608 54.000 0.022 0.000 0.879 1062 D CB 0.050 40.867 40.800 0.028 0.000 0.921 1062 D HN 0.278 nan 8.370 nan 0.000 0.510 1063 E N -0.228 119.990 120.200 0.031 0.000 2.474 1063 E HA 0.125 4.475 4.350 0.000 0.000 0.195 1063 E C 1.000 177.605 176.600 0.008 0.000 1.039 1063 E CA -0.033 56.398 56.400 0.051 0.000 0.881 1063 E CB 0.441 30.192 29.700 0.084 0.000 0.970 1063 E HN 0.208 nan 8.360 nan 0.000 0.486 1064 G N 2.226 110.974 108.800 -0.087 0.000 2.341 1064 G HA2 -0.286 3.674 3.960 0.000 0.000 0.292 1064 G HA3 -0.286 3.674 3.960 0.000 0.000 0.292 1064 G C 0.276 175.078 174.900 -0.163 0.000 1.021 1064 G CA 0.498 45.385 45.100 -0.355 0.000 0.905 1064 G HN 0.247 nan 8.290 nan 0.000 0.508 1065 I N -0.452 120.129 120.570 0.019 0.000 2.392 1065 I HA 0.613 4.783 4.170 0.000 0.000 0.295 1065 I C -0.090 176.063 176.117 0.061 0.000 0.985 1065 I CA -1.116 60.223 61.300 0.065 0.000 1.221 1065 I CB 1.721 39.823 38.000 0.169 0.000 1.366 1065 I HN 0.088 nan 8.210 nan 0.000 0.467 1066 L N 8.229 129.480 121.223 0.046 0.000 2.439 1066 L HA 0.613 4.953 4.340 0.000 0.000 0.270 1066 L C -1.579 175.259 176.870 -0.052 0.000 0.972 1066 L CA -0.170 54.670 54.840 0.000 0.000 0.836 1066 L CB 1.464 43.534 42.059 0.018 0.000 1.255 1066 L HN 0.441 nan 8.230 nan 0.000 0.404 1067 L N 4.671 125.872 121.223 -0.036 0.000 2.381 1067 L HA 0.581 4.922 4.340 0.000 0.000 0.268 1067 L C -0.961 175.860 176.870 -0.080 0.000 0.997 1067 L CA -0.844 53.983 54.840 -0.022 0.000 0.818 1067 L CB 2.014 44.146 42.059 0.121 0.000 1.310 1067 L HN 0.516 nan 8.230 nan 0.000 0.416 1068 H N 4.861 124.036 119.070 0.176 0.000 2.718 1068 H HA 0.373 4.929 4.556 0.000 0.000 0.295 1068 H C -0.264 175.166 175.328 0.170 0.000 1.051 1068 H CA -0.584 55.567 56.048 0.172 0.000 1.260 1068 H CB 1.239 31.111 29.762 0.184 0.000 1.403 1068 H HN 0.466 nan 8.280 nan 0.000 0.488 1069 R N 1.853 122.458 120.500 0.176 0.000 3.651 1069 R HA -0.202 4.139 4.340 0.000 0.000 0.292 1069 R C 1.146 177.299 176.300 -0.246 0.000 1.161 1069 R CA 0.894 57.008 56.100 0.025 0.000 0.787 1069 R CB -2.218 28.161 30.300 0.131 0.000 1.249 1069 R HN 1.130 nan 8.270 nan 0.000 0.476 1070 G N -1.417 107.276 108.800 -0.178 0.000 2.284 1070 G HA2 -0.344 3.616 3.960 0.000 0.000 0.230 1070 G HA3 -0.344 3.616 3.960 0.000 0.000 0.230 1070 G C 0.212 174.939 174.900 -0.288 0.000 1.021 1070 G CA 0.154 45.071 45.100 -0.304 0.000 0.619 1070 G HN 0.262 nan 8.290 nan 0.000 0.510 1071 F N 2.628 122.608 119.950 0.050 0.000 2.443 1071 F HA 0.519 5.046 4.527 0.000 0.000 0.353 1071 F C -1.735 174.082 175.800 0.027 0.000 1.101 1071 F CA -2.145 55.880 58.000 0.041 0.000 1.226 1071 F CB 0.785 39.818 39.000 0.055 0.000 1.140 1071 F HN -0.137 nan 8.300 nan 0.000 0.557 1072 P HA 0.028 nan 4.420 nan 0.000 0.271 1072 P C 0.784 178.140 177.300 0.093 0.000 1.216 1072 P CA -0.110 63.052 63.100 0.103 0.000 0.771 1072 P CB 0.786 32.537 31.700 0.085 0.000 0.864 1073 I N 2.944 123.531 120.570 0.029 0.000 2.315 1073 I HA -0.273 3.897 4.170 0.000 0.000 0.251 1073 I C 1.187 177.336 176.117 0.053 0.000 1.125 1073 I CA 1.938 63.265 61.300 0.046 0.000 1.392 1073 I CB -0.457 37.539 38.000 -0.006 0.000 1.065 1073 I HN 0.269 nan 8.210 nan 0.000 0.424 1074 D N 0.032 120.453 120.400 0.035 0.000 2.117 1074 D HA -0.196 4.444 4.640 0.000 0.000 0.197 1074 D C 2.177 178.494 176.300 0.029 0.000 0.987 1074 D CA 1.261 55.276 54.000 0.024 0.000 0.829 1074 D CB -0.287 40.523 40.800 0.017 0.000 0.961 1074 D HN 0.528 nan 8.370 nan 0.000 0.460 1075 Q N -0.155 119.671 119.800 0.043 0.000 2.119 1075 Q HA -0.028 4.313 4.340 0.000 0.000 0.201 1075 Q C 2.467 178.473 176.000 0.010 0.000 0.972 1075 Q CA 0.618 56.440 55.803 0.032 0.000 0.847 1075 Q CB 0.037 28.811 28.738 0.060 0.000 0.903 1075 Q HN 0.315 nan 8.270 nan 0.000 0.433 1076 L N -0.155 121.087 121.223 0.032 0.000 2.044 1076 L HA -0.108 4.232 4.340 0.000 0.000 0.205 1076 L C 2.486 179.369 176.870 0.023 0.000 1.075 1076 L CA 0.896 55.742 54.840 0.010 0.000 0.747 1076 L CB -0.545 41.559 42.059 0.074 0.000 0.903 1076 L HN 0.176 nan 8.230 nan 0.000 0.435 1077 A N -0.571 122.277 122.820 0.047 0.000 1.972 1077 A HA -0.160 4.160 4.320 0.000 0.000 0.219 1077 A C 2.327 179.928 177.584 0.027 0.000 1.169 1077 A CA 2.196 54.261 52.037 0.047 0.000 0.635 1077 A CB -0.698 18.331 19.000 0.047 0.000 0.810 1077 A HN 0.388 nan 8.150 nan 0.000 0.446 1078 T N -0.333 114.229 114.554 0.013 0.000 2.852 1078 T HA -0.025 4.325 4.350 0.000 0.000 0.256 1078 T C 0.849 175.545 174.700 -0.006 0.000 1.038 1078 T CA 1.289 63.391 62.100 0.004 0.000 1.141 1078 T CB -0.120 68.748 68.868 -0.001 0.000 0.869 1078 T HN 0.465 nan 8.240 nan 0.000 0.439 1079 D N 0.765 121.153 120.400 -0.020 0.000 2.501 1079 D HA 0.320 4.960 4.640 0.000 0.000 0.224 1079 D C 0.273 176.535 176.300 -0.064 0.000 1.202 1079 D CA 0.084 54.060 54.000 -0.039 0.000 0.829 1079 D CB 0.788 41.560 40.800 -0.046 0.000 1.023 1079 D HN 0.191 nan 8.370 nan 0.000 0.499 1080 S N 0.615 116.284 115.700 -0.051 0.000 2.823 1080 S HA 0.563 5.033 4.470 0.000 0.000 0.316 1080 S C -1.062 173.526 174.600 -0.020 0.000 1.116 1080 S CA -0.594 57.563 58.200 -0.071 0.000 0.911 1080 S CB 1.575 64.723 63.200 -0.087 0.000 1.276 1080 S HN 0.257 nan 8.310 nan 0.000 0.565 1081 N N -0.293 118.404 118.700 -0.005 0.000 2.647 1081 N HA 0.231 4.971 4.740 0.000 0.000 0.266 1081 N C -0.059 175.512 175.510 0.102 0.000 1.373 1081 N CA -0.668 52.424 53.050 0.070 0.000 0.807 1081 N CB 0.040 38.577 38.487 0.084 0.000 1.513 1081 N HN 0.584 nan 8.380 nan 0.000 0.505 1082 Y N 0.787 121.090 120.300 0.005 0.000 2.114 1082 Y HA -0.039 4.511 4.550 0.000 0.000 0.282 1082 Y C 1.842 177.705 175.900 -0.062 0.000 1.165 1082 Y CA 1.786 59.850 58.100 -0.061 0.000 1.148 1082 Y CB -0.321 38.057 38.460 -0.137 0.000 0.972 1082 Y HN 0.548 nan 8.280 nan 0.000 0.504 1083 L N -0.031 121.144 121.223 -0.081 0.000 2.012 1083 L HA -0.244 4.096 4.340 0.000 0.000 0.210 1083 L C 2.566 179.535 176.870 0.165 0.000 1.073 1083 L CA 2.058 56.898 54.840 0.001 0.000 0.748 1083 L CB -0.680 41.505 42.059 0.210 0.000 0.891 1083 L HN 0.297 nan 8.230 nan 0.000 0.431 1084 E N 0.022 120.354 120.200 0.219 0.000 2.110 1084 E HA -0.186 4.164 4.350 0.000 0.000 0.193 1084 E C 2.174 178.763 176.600 -0.018 0.000 0.988 1084 E CA 1.169 57.644 56.400 0.126 0.000 0.804 1084 E CB 0.174 29.828 29.700 -0.077 0.000 0.745 1084 E HN 0.263 nan 8.360 nan 0.000 0.458 1085 V N 0.253 120.112 119.914 -0.091 0.000 2.453 1085 V HA -0.274 3.846 4.120 0.000 0.000 0.247 1085 V C 2.428 178.401 176.094 -0.202 0.000 1.048 1085 V CA 1.374 63.595 62.300 -0.132 0.000 1.049 1085 V CB -0.307 31.445 31.823 -0.118 0.000 0.672 1085 V HN 0.544 nan 8.190 nan 0.000 0.457 1086 C N -0.965 118.146 119.300 -0.315 0.000 2.429 1086 C HA -0.188 4.272 4.460 0.000 0.000 0.277 1086 C C 2.598 177.425 174.990 -0.272 0.000 1.262 1086 C CA 1.232 60.061 59.018 -0.315 0.000 1.733 1086 C CB -0.962 26.608 27.740 -0.282 0.000 2.010 1086 C HN 0.689 nan 8.230 nan 0.000 0.483 1087 Y N 1.502 121.517 120.300 -0.475 0.000 2.097 1087 Y HA -0.174 4.376 4.550 0.000 0.000 0.282 1087 Y C 2.189 177.882 175.900 -0.344 0.000 1.152 1087 Y CA 1.617 59.301 58.100 -0.694 0.000 1.136 1087 Y CB -0.492 37.589 38.460 -0.632 0.000 0.975 1087 Y HN 0.287 nan 8.280 nan 0.000 0.498 1088 I N -0.402 120.210 120.570 0.070 0.000 2.127 1088 I HA -0.374 3.796 4.170 0.000 0.000 0.241 1088 I C 2.409 178.529 176.117 0.005 0.000 1.075 1088 I CA 1.595 62.957 61.300 0.102 0.000 1.334 1088 I CB -0.580 37.488 38.000 0.114 0.000 1.040 1088 I HN 0.238 nan 8.210 nan 0.000 0.405 1089 L N 0.023 121.209 121.223 -0.061 0.000 2.079 1089 L HA -0.239 4.102 4.340 0.000 0.000 0.210 1089 L C 2.471 179.268 176.870 -0.122 0.000 1.081 1089 L CA 1.416 56.207 54.840 -0.083 0.000 0.752 1089 L CB -0.423 41.553 42.059 -0.138 0.000 0.896 1089 L HN 0.294 nan 8.230 nan 0.000 0.433 1090 L N -0.925 120.178 121.223 -0.199 0.000 2.095 1090 L HA -0.094 4.246 4.340 0.000 0.000 0.204 1090 L C 2.107 178.821 176.870 -0.259 0.000 1.080 1090 L CA 0.889 55.589 54.840 -0.233 0.000 0.759 1090 L CB -0.389 41.482 42.059 -0.312 0.000 0.914 1090 L HN 0.326 nan 8.230 nan 0.000 0.439 1091 N N -0.577 117.908 118.700 -0.358 0.000 2.409 1091 N HA 0.027 4.767 4.740 0.000 0.000 0.174 1091 N C 1.458 176.904 175.510 -0.107 0.000 1.037 1091 N CA 1.151 54.014 53.050 -0.312 0.000 0.898 1091 N CB 0.980 39.088 38.487 -0.631 0.000 1.010 1091 N HN 0.392 nan 8.380 nan 0.000 0.445 1092 G N 0.471 109.248 108.800 -0.038 0.000 2.194 1092 G HA2 -0.175 3.785 3.960 0.000 0.000 0.236 1092 G HA3 -0.175 3.785 3.960 0.000 0.000 0.236 1092 G C -0.150 174.813 174.900 0.106 0.000 0.987 1092 G CA -0.061 45.055 45.100 0.027 0.000 0.635 1092 G HN 0.296 nan 8.290 nan 0.000 0.520 1093 E N -0.074 120.231 120.200 0.174 0.000 2.413 1093 E HA 0.350 4.700 4.350 0.000 0.000 0.277 1093 E C -0.213 176.545 176.600 0.264 0.000 0.958 1093 E CA -0.736 55.809 56.400 0.241 0.000 0.779 1093 E CB 1.392 31.195 29.700 0.171 0.000 1.278 1093 E HN 0.549 nan 8.360 nan 0.000 0.456 1094 K N 1.024 121.535 120.400 0.185 0.000 2.355 1094 K HA 0.338 4.658 4.320 0.000 0.000 0.270 1094 K C -2.179 174.353 176.600 -0.113 0.000 1.003 1094 K CA -1.038 55.236 56.287 -0.022 0.000 0.957 1094 K CB 0.080 32.493 32.500 -0.145 0.000 0.939 1094 K HN 0.097 nan 8.250 nan 0.000 0.482 1095 P HA 0.078 nan 4.420 nan 0.000 0.276 1095 P C -0.633 176.496 177.300 -0.286 0.000 1.261 1095 P CA -0.472 62.240 63.100 -0.645 0.000 0.800 1095 P CB 0.852 31.727 31.700 -1.373 0.000 1.066 1096 T N 0.543 114.983 114.554 -0.191 0.000 2.881 1096 T HA 0.062 4.412 4.350 0.000 0.000 0.278 1096 T C 1.314 175.978 174.700 -0.060 0.000 0.982 1096 T CA -0.067 61.980 62.100 -0.088 0.000 0.989 1096 T CB 0.597 69.445 68.868 -0.032 0.000 1.058 1096 T HN 0.367 nan 8.240 nan 0.000 0.529 1097 Q N 0.428 120.213 119.800 -0.025 0.000 2.197 1097 Q HA -0.175 4.165 4.340 0.000 0.000 0.207 1097 Q C 1.699 177.746 176.000 0.078 0.000 0.984 1097 Q CA 1.895 57.713 55.803 0.025 0.000 0.869 1097 Q CB -0.199 28.547 28.738 0.014 0.000 0.906 1097 Q HN 0.607 nan 8.270 nan 0.000 0.426 1098 E N -0.206 120.022 120.200 0.046 0.000 2.107 1098 E HA -0.121 4.229 4.350 0.000 0.000 0.191 1098 E C 1.969 178.613 176.600 0.073 0.000 0.982 1098 E CA 1.270 57.704 56.400 0.058 0.000 0.809 1098 E CB -0.099 29.627 29.700 0.044 0.000 0.756 1098 E HN 0.521 nan 8.360 nan 0.000 0.459 1099 Q N -0.876 118.951 119.800 0.045 0.000 2.123 1099 Q HA -0.123 4.217 4.340 0.000 0.000 0.199 1099 Q C 1.821 177.869 176.000 0.081 0.000 0.966 1099 Q CA 1.180 57.028 55.803 0.075 0.000 0.845 1099 Q CB -0.214 28.513 28.738 -0.019 0.000 0.907 1099 Q HN 0.380 nan 8.270 nan 0.000 0.439 1100 Y N 1.921 122.142 120.300 -0.132 0.000 2.163 1100 Y HA -0.236 4.314 4.550 0.000 0.000 0.288 1100 Y C 1.602 177.576 175.900 0.123 0.000 1.136 1100 Y CA 1.667 59.740 58.100 -0.044 0.000 1.147 1100 Y CB 0.055 38.445 38.460 -0.116 0.000 0.987 1100 Y HN 0.067 nan 8.280 nan 0.000 0.509 1101 D N 0.177 120.622 120.400 0.074 0.000 2.178 1101 D HA -0.196 4.444 4.640 0.000 0.000 0.201 1101 D C 1.986 178.284 176.300 -0.003 0.000 0.980 1101 D CA 1.480 55.484 54.000 0.008 0.000 0.842 1101 D CB -0.294 40.559 40.800 0.087 0.000 0.948 1101 D HN 0.625 nan 8.370 nan 0.000 0.472 1102 E N -0.439 119.801 120.200 0.067 0.000 2.046 1102 E HA -0.163 4.187 4.350 0.000 0.000 0.190 1102 E C 1.966 178.649 176.600 0.139 0.000 0.982 1102 E CA 0.437 56.893 56.400 0.094 0.000 0.800 1102 E CB -0.159 29.622 29.700 0.136 0.000 0.756 1102 E HN 0.203 nan 8.360 nan 0.000 0.449 1103 F N 1.986 121.974 119.950 0.063 0.000 2.146 1103 F HA -0.100 4.427 4.527 0.000 0.000 0.298 1103 F C 2.331 178.173 175.800 0.069 0.000 1.096 1103 F CA 1.815 59.916 58.000 0.169 0.000 1.275 1103 F CB -0.133 39.041 39.000 0.289 0.000 1.008 1103 F HN -0.104 nan 8.300 nan 0.000 0.480 1104 K N -0.446 119.882 120.400 -0.120 0.000 2.026 1104 K HA -0.153 4.167 4.320 0.000 0.000 0.208 1104 K C 2.012 178.535 176.600 -0.129 0.000 1.048 1104 K CA 1.990 58.136 56.287 -0.235 0.000 0.929 1104 K CB -0.535 31.728 32.500 -0.395 0.000 0.713 1104 K HN 0.213 nan 8.250 nan 0.000 0.439 1105 T N 0.616 115.116 114.554 -0.091 0.000 2.635 1105 T HA -0.160 4.190 4.350 0.000 0.000 0.267 1105 T C 1.763 176.414 174.700 -0.082 0.000 1.040 1105 T CA 2.199 64.259 62.100 -0.066 0.000 1.156 1105 T CB -0.564 68.275 68.868 -0.049 0.000 0.863 1105 T HN 0.419 nan 8.240 nan 0.000 0.430 1106 T N 1.667 116.155 114.554 -0.110 0.000 2.759 1106 T HA -0.079 4.271 4.350 0.000 0.000 0.269 1106 T C 2.125 176.827 174.700 0.003 0.000 1.042 1106 T CA 0.961 62.978 62.100 -0.139 0.000 1.140 1106 T CB -0.520 68.065 68.868 -0.471 0.000 0.864 1106 T HN 0.166 nan 8.240 nan 0.000 0.455 1107 V N 2.159 122.056 119.914 -0.029 0.000 2.427 1107 V HA -0.166 3.954 4.120 0.000 0.000 0.248 1107 V C 3.017 179.161 176.094 0.084 0.000 1.051 1107 V CA 2.103 64.436 62.300 0.055 0.000 1.048 1107 V CB -1.166 30.599 31.823 -0.098 0.000 0.666 1107 V HN 0.749 nan 8.190 nan 0.000 0.456 1108 T N -1.183 113.387 114.554 0.026 0.000 2.942 1108 T HA -0.125 4.225 4.350 0.000 0.000 0.265 1108 T C 1.660 176.340 174.700 -0.033 0.000 1.062 1108 T CA 0.613 62.724 62.100 0.018 0.000 1.139 1108 T CB -0.306 68.569 68.868 0.011 0.000 0.883 1108 T HN 0.462 nan 8.240 nan 0.000 0.468 1109 R N 0.594 121.029 120.500 -0.108 0.000 2.346 1109 R HA 0.160 4.500 4.340 0.000 0.000 0.225 1109 R C 0.521 176.532 176.300 -0.481 0.000 0.987 1109 R CA 0.218 56.161 56.100 -0.261 0.000 1.106 1109 R CB -0.092 30.013 30.300 -0.326 0.000 1.090 1109 R HN 0.566 nan 8.270 nan 0.000 0.502 1110 H N -0.839 118.224 119.070 -0.012 0.000 3.007 1110 H HA 0.066 4.623 4.556 0.000 0.000 0.251 1110 H C 1.230 176.572 175.328 0.024 0.000 1.188 1110 H CA 0.242 56.291 56.048 0.001 0.000 1.017 1110 H CB 1.019 30.776 29.762 -0.008 0.000 1.805 1110 H HN 0.168 nan 8.280 nan 0.000 0.659 1111 T N -2.367 112.237 114.554 0.084 0.000 3.055 1111 T HA 0.049 4.399 4.350 0.000 0.000 0.265 1111 T C 1.042 175.779 174.700 0.063 0.000 1.111 1111 T CA 0.173 62.310 62.100 0.062 0.000 1.118 1111 T CB 0.590 69.469 68.868 0.019 0.000 0.909 1111 T HN 0.100 nan 8.240 nan 0.000 0.501 1112 M N 2.535 122.180 119.600 0.074 0.000 2.216 1112 M HA 0.501 4.981 4.480 0.000 0.000 0.356 1112 M C -0.468 175.903 176.300 0.118 0.000 1.205 1112 M CA -1.073 54.287 55.300 0.100 0.000 1.122 1112 M CB 0.862 33.515 32.600 0.088 0.000 1.571 1112 M HN 0.324 nan 8.290 nan 0.000 0.464 1113 I N 0.292 120.928 120.570 0.110 0.000 2.566 1113 I HA 0.388 4.558 4.170 0.000 0.000 0.303 1113 I C -0.174 176.013 176.117 0.117 0.000 0.983 1113 I CA -0.970 60.402 61.300 0.121 0.000 1.235 1113 I CB 1.011 39.043 38.000 0.053 0.000 1.386 1113 I HN 0.691 nan 8.210 nan 0.000 0.494 1114 H N 3.586 122.665 119.070 0.015 0.000 3.038 1114 H HA -0.021 4.535 4.556 0.000 0.000 0.338 1114 H C 0.908 176.222 175.328 -0.024 0.000 1.041 1114 H CA 0.651 56.695 56.048 -0.007 0.000 1.394 1114 H CB 0.889 30.604 29.762 -0.079 0.000 1.357 1114 H HN 0.644 nan 8.280 nan 0.000 0.600 1115 E N 3.312 123.414 120.200 -0.164 0.000 2.118 1115 E HA -0.240 4.110 4.350 0.000 0.000 0.195 1115 E C 1.854 178.530 176.600 0.126 0.000 0.992 1115 E CA 1.161 57.561 56.400 -0.000 0.000 0.804 1115 E CB -0.049 29.620 29.700 -0.052 0.000 0.741 1115 E HN 0.700 nan 8.360 nan 0.000 0.458 1116 Q N 0.678 120.664 119.800 0.309 0.000 2.079 1116 Q HA -0.035 4.305 4.340 0.000 0.000 0.200 1116 Q C 2.144 178.187 176.000 0.073 0.000 0.974 1116 Q CA 0.967 56.958 55.803 0.313 0.000 0.840 1116 Q CB -0.309 28.761 28.738 0.553 0.000 0.898 1116 Q HN 0.311 nan 8.270 nan 0.000 0.430 1117 I N -0.191 120.195 120.570 -0.306 0.000 2.423 1117 I HA -0.268 3.902 4.170 0.000 0.000 0.254 1117 I C 1.505 177.544 176.117 -0.130 0.000 1.151 1117 I CA 1.437 62.346 61.300 -0.652 0.000 1.421 1117 I CB -0.280 37.246 38.000 -0.789 0.000 1.079 1117 I HN 0.173 nan 8.210 nan 0.000 0.431 1118 T N -0.133 114.458 114.554 0.060 0.000 3.067 1118 T HA 0.015 4.365 4.350 0.000 0.000 0.261 1118 T C 1.973 176.898 174.700 0.376 0.000 1.110 1118 T CA 0.425 62.672 62.100 0.246 0.000 1.113 1118 T CB -0.016 68.943 68.868 0.152 0.000 0.917 1118 T HN 0.175 nan 8.240 nan 0.000 0.499 1119 R N 1.044 121.706 120.500 0.270 0.000 2.073 1119 R HA 0.141 4.481 4.340 0.000 0.000 0.229 1119 R C 2.230 178.697 176.300 0.278 0.000 1.120 1119 R CA 0.574 56.857 56.100 0.305 0.000 0.967 1119 R CB -1.207 29.217 30.300 0.207 0.000 0.862 1119 R HN 0.301 nan 8.270 nan 0.000 0.436 1120 L N 0.634 121.953 121.223 0.160 0.000 2.189 1120 L HA -0.145 4.195 4.340 0.000 0.000 0.214 1120 L C 1.816 178.719 176.870 0.056 0.000 1.097 1120 L CA 1.513 56.391 54.840 0.063 0.000 0.764 1120 L CB -0.635 41.416 42.059 -0.012 0.000 0.900 1120 L HN -0.018 nan 8.230 nan 0.000 0.436 1121 F N -0.683 119.265 119.950 -0.003 0.000 2.134 1121 F HA -0.223 4.304 4.527 0.000 0.000 0.299 1121 F C 2.522 178.054 175.800 -0.446 0.000 1.097 1121 F CA 1.820 59.675 58.000 -0.243 0.000 1.264 1121 F CB -0.596 38.179 39.000 -0.374 0.000 1.001 1121 F HN 0.257 nan 8.300 nan 0.000 0.479 1122 H N -0.964 118.203 119.070 0.162 0.000 2.567 1122 H HA 0.102 4.658 4.556 0.000 0.000 0.276 1122 H C 1.944 177.373 175.328 0.167 0.000 1.016 1122 H CA 0.886 57.062 56.048 0.214 0.000 1.186 1122 H CB -0.186 29.715 29.762 0.233 0.000 1.351 1122 H HN 0.288 nan 8.280 nan 0.000 0.605 1123 A N 0.220 123.118 122.820 0.130 0.000 2.147 1123 A HA 0.134 4.455 4.320 0.000 0.000 0.211 1123 A C 0.547 178.084 177.584 -0.078 0.000 1.160 1123 A CA -0.283 51.759 52.037 0.008 0.000 0.781 1123 A CB -0.059 18.879 19.000 -0.104 0.000 0.842 1123 A HN 0.024 nan 8.150 nan 0.000 0.475 1124 F N 0.804 120.743 119.950 -0.018 0.000 2.406 1124 F HA 0.388 4.915 4.527 0.000 0.000 0.327 1124 F C 1.128 177.045 175.800 0.195 0.000 1.153 1124 F CA -0.335 57.682 58.000 0.028 0.000 1.218 1124 F CB 0.690 39.650 39.000 -0.067 0.000 1.215 1124 F HN 0.025 nan 8.300 nan 0.000 0.570 1125 R N 1.493 122.218 120.500 0.375 0.000 2.594 1125 R HA 0.166 4.506 4.340 0.000 0.000 0.272 1125 R C 1.129 177.647 176.300 0.364 0.000 1.074 1125 R CA -0.628 55.648 56.100 0.293 0.000 1.105 1125 R CB 0.527 30.944 30.300 0.195 0.000 1.008 1125 R HN 0.515 nan 8.270 nan 0.000 0.472 1126 R N 1.652 122.271 120.500 0.198 0.000 2.241 1126 R HA -0.117 4.223 4.340 0.000 0.000 0.224 1126 R C 0.604 176.918 176.300 0.024 0.000 1.101 1126 R CA 1.283 57.378 56.100 -0.008 0.000 0.995 1126 R CB -0.169 30.045 30.300 -0.144 0.000 0.870 1126 R HN 0.704 nan 8.270 nan 0.000 0.463 1127 D N -1.177 119.272 120.400 0.082 0.000 2.363 1127 D HA 0.026 4.666 4.640 0.000 0.000 0.214 1127 D C -0.160 176.209 176.300 0.115 0.000 1.093 1127 D CA -0.219 53.821 54.000 0.067 0.000 0.837 1127 D CB 0.049 40.881 40.800 0.054 0.000 0.948 1127 D HN -0.284 nan 8.370 nan 0.000 0.507 1128 S N 0.051 115.858 115.700 0.178 0.000 2.568 1128 S HA 0.004 4.474 4.470 0.000 0.000 0.282 1128 S C 0.014 174.717 174.600 0.173 0.000 1.338 1128 S CA -0.415 57.909 58.200 0.206 0.000 1.045 1128 S CB 0.251 63.603 63.200 0.254 0.000 0.873 1128 S HN 0.509 nan 8.310 nan 0.000 0.516 1129 H N 3.009 122.130 119.070 0.085 0.000 2.803 1129 H HA 0.151 4.707 4.556 0.000 0.000 0.330 1129 H C -1.808 173.470 175.328 -0.083 0.000 1.057 1129 H CA -1.704 54.365 56.048 0.035 0.000 1.458 1129 H CB 0.710 30.545 29.762 0.122 0.000 1.470 1129 H HN 0.305 nan 8.280 nan 0.000 0.560 1130 P HA -0.273 nan 4.420 nan 0.000 0.217 1130 P C 1.393 178.669 177.300 -0.041 0.000 1.151 1130 P CA 1.301 64.431 63.100 0.049 0.000 0.849 1130 P CB 0.105 31.807 31.700 0.004 0.000 0.787 1131 M N -0.537 119.042 119.600 -0.035 0.000 2.175 1131 M HA -0.008 4.472 4.480 0.000 0.000 0.264 1131 M C 1.893 177.732 176.300 -0.768 0.000 1.063 1131 M CA 1.703 56.594 55.300 -0.681 0.000 1.119 1131 M CB -1.334 30.316 32.600 -1.584 0.000 1.377 1131 M HN -0.147 nan 8.290 nan 0.000 0.415 1132 A N -1.134 121.290 122.820 -0.660 0.000 1.969 1132 A HA -0.038 4.282 4.320 0.000 0.000 0.218 1132 A C 2.133 179.569 177.584 -0.245 0.000 1.169 1132 A CA 1.708 53.591 52.037 -0.257 0.000 0.635 1132 A CB -1.025 18.023 19.000 0.081 0.000 0.810 1132 A HN 0.364 nan 8.150 nan 0.000 0.445 1133 V N -0.768 118.914 119.914 -0.387 0.000 2.453 1133 V HA -0.229 3.891 4.120 0.000 0.000 0.247 1133 V C 2.514 178.270 176.094 -0.565 0.000 1.048 1133 V CA 2.121 63.945 62.300 -0.794 0.000 1.049 1133 V CB -0.583 30.833 31.823 -0.680 0.000 0.672 1133 V HN 0.635 nan 8.190 nan 0.000 0.457 1134 M N -0.159 119.243 119.600 -0.329 0.000 2.159 1134 M HA -0.172 4.308 4.480 0.000 0.000 0.263 1134 M C 2.083 178.285 176.300 -0.164 0.000 1.063 1134 M CA 2.047 57.220 55.300 -0.211 0.000 1.110 1134 M CB -0.750 31.756 32.600 -0.158 0.000 1.374 1134 M HN 0.411 nan 8.290 nan 0.000 0.411 1135 C N -0.504 118.704 119.300 -0.153 0.000 2.466 1135 C HA 0.065 4.525 4.460 0.000 0.000 0.278 1135 C C 2.734 177.709 174.990 -0.024 0.000 1.288 1135 C CA 0.694 59.684 59.018 -0.046 0.000 1.722 1135 C CB -1.997 25.757 27.740 0.023 0.000 2.017 1135 C HN 0.743 nan 8.230 nan 0.000 0.488 1136 G N 0.997 109.770 108.800 -0.045 0.000 2.421 1136 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 1136 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 1136 G C 1.410 176.325 174.900 0.025 0.000 1.171 1136 G CA 0.804 45.962 45.100 0.096 0.000 0.775 1136 G HN 0.372 nan 8.290 nan 0.000 0.543 1137 I N 1.429 121.890 120.570 -0.182 0.000 2.179 1137 I HA -0.119 4.051 4.170 0.000 0.000 0.242 1137 I C 2.949 178.991 176.117 -0.124 0.000 1.088 1137 I CA 1.612 62.760 61.300 -0.253 0.000 1.357 1137 I CB -1.601 36.083 38.000 -0.528 0.000 1.051 1137 I HN 0.123 nan 8.210 nan 0.000 0.409 1138 T N 0.877 115.389 114.554 -0.070 0.000 2.720 1138 T HA -0.118 4.232 4.350 0.000 0.000 0.268 1138 T C 1.815 176.550 174.700 0.058 0.000 1.037 1138 T CA 1.511 63.620 62.100 0.016 0.000 1.144 1138 T CB -0.759 68.142 68.868 0.055 0.000 0.864 1138 T HN 0.535 nan 8.240 nan 0.000 0.444 1139 G N 0.291 109.120 108.800 0.048 0.000 2.708 1139 G HA2 0.187 4.147 3.960 0.000 0.000 0.210 1139 G HA3 0.187 4.147 3.960 0.000 0.000 0.210 1139 G C 1.278 176.222 174.900 0.073 0.000 1.141 1139 G CA 0.640 45.783 45.100 0.071 0.000 0.788 1139 G HN 0.590 nan 8.290 nan 0.000 0.531 1140 A N -0.171 122.682 122.820 0.054 0.000 2.343 1140 A HA 0.444 4.764 4.320 0.000 0.000 0.223 1140 A C 2.058 179.705 177.584 0.106 0.000 1.214 1140 A CA -0.184 51.901 52.037 0.079 0.000 0.900 1140 A CB 0.040 19.093 19.000 0.088 0.000 0.942 1140 A HN 0.274 nan 8.150 nan 0.000 0.507 1141 L N -0.572 120.651 121.223 -0.001 0.000 2.131 1141 L HA -0.181 4.159 4.340 0.000 0.000 0.210 1141 L C 2.918 179.696 176.870 -0.154 0.000 1.092 1141 L CA 1.088 55.824 54.840 -0.173 0.000 0.759 1141 L CB -0.563 41.261 42.059 -0.391 0.000 0.903 1141 L HN 0.415 nan 8.230 nan 0.000 0.435 1142 A N 0.389 123.231 122.820 0.037 0.000 1.978 1142 A HA -0.163 4.158 4.320 0.000 0.000 0.220 1142 A C 2.565 180.206 177.584 0.095 0.000 1.170 1142 A CA 1.646 53.793 52.037 0.183 0.000 0.636 1142 A CB -0.560 18.596 19.000 0.259 0.000 0.810 1142 A HN 0.406 nan 8.150 nan 0.000 0.448 1143 A N -1.366 121.462 122.820 0.014 0.000 1.972 1143 A HA 0.092 4.412 4.320 0.000 0.000 0.219 1143 A C 1.837 179.220 177.584 -0.335 0.000 1.169 1143 A CA 1.480 53.415 52.037 -0.170 0.000 0.635 1143 A CB -0.537 18.289 19.000 -0.291 0.000 0.810 1143 A HN 0.484 nan 8.150 nan 0.000 0.446 1144 F N -2.331 117.482 119.950 -0.230 0.000 2.222 1144 F HA 0.142 4.669 4.527 0.000 0.000 0.285 1144 F C 0.702 176.372 175.800 -0.216 0.000 1.068 1144 F CA 0.324 58.115 58.000 -0.349 0.000 1.265 1144 F CB -0.618 37.957 39.000 -0.708 0.000 1.087 1144 F HN 0.120 nan 8.300 nan 0.000 0.511 1145 Y N 3.008 123.337 120.300 0.049 0.000 2.889 1145 Y HA 0.029 4.579 4.550 0.000 0.000 0.367 1145 Y C 2.024 177.936 175.900 0.020 0.000 1.197 1145 Y CA -0.931 57.135 58.100 -0.058 0.000 1.993 1145 Y CB -2.035 36.289 38.460 -0.226 0.000 2.112 1145 Y HN 0.294 nan 8.280 nan 0.000 0.413 1146 H N -0.810 118.352 119.070 0.153 0.000 2.529 1146 H HA -0.057 4.499 4.556 0.000 0.000 0.277 1146 H C 0.670 176.075 175.328 0.128 0.000 0.999 1146 H CA 1.178 57.303 56.048 0.128 0.000 1.256 1146 H CB -0.000 29.793 29.762 0.053 0.000 1.402 1146 H HN 0.461 nan 8.280 nan 0.000 0.566 1147 D N 1.539 121.641 120.400 -0.497 0.000 2.349 1147 D HA -0.078 4.562 4.640 0.000 0.000 0.224 1147 D C 0.670 176.720 176.300 -0.417 0.000 1.029 1147 D CA 0.586 54.373 54.000 -0.356 0.000 0.879 1147 D CB -0.217 40.353 40.800 -0.383 0.000 0.906 1147 D HN 0.425 nan 8.370 nan 0.000 0.528 1148 S N -0.303 115.302 115.700 -0.159 0.000 2.740 1148 S HA 0.318 4.788 4.470 0.000 0.000 0.244 1148 S C 0.779 175.496 174.600 0.194 0.000 1.101 1148 S CA -0.711 57.405 58.200 -0.140 0.000 1.123 1148 S CB -0.659 62.520 63.200 -0.036 0.000 1.012 1148 S HN 0.153 nan 8.310 nan 0.000 0.491 1149 L N 0.037 121.451 121.223 0.319 0.000 2.693 1149 L HA 0.389 4.729 4.340 0.000 0.000 0.235 1149 L C 0.363 177.404 176.870 0.286 0.000 1.127 1149 L CA -0.137 54.875 54.840 0.286 0.000 0.914 1149 L CB -0.005 42.214 42.059 0.267 0.000 1.193 1149 L HN 0.296 nan 8.230 nan 0.000 0.502 1150 D N 1.334 121.954 120.400 0.367 0.000 2.374 1150 D HA 0.049 4.689 4.640 0.000 0.000 0.240 1150 D C 1.389 177.768 176.300 0.133 0.000 1.229 1150 D CA 0.011 54.088 54.000 0.128 0.000 0.895 1150 D CB 1.551 42.232 40.800 -0.198 0.000 1.046 1150 D HN 0.020 nan 8.370 nan 0.000 0.498 1151 V N 2.393 122.428 119.914 0.201 0.000 2.828 1151 V HA -0.141 3.979 4.120 0.000 0.000 0.260 1151 V C 1.173 177.287 176.094 0.033 0.000 1.101 1151 V CA 1.308 63.749 62.300 0.236 0.000 1.123 1151 V CB -0.312 31.805 31.823 0.492 0.000 0.704 1151 V HN 0.422 nan 8.190 nan 0.000 0.493 1152 N N 0.753 119.473 118.700 0.035 0.000 2.356 1152 N HA 0.039 4.779 4.740 0.000 0.000 0.178 1152 N C 0.533 176.004 175.510 -0.064 0.000 1.075 1152 N CA 0.242 53.285 53.050 -0.010 0.000 0.889 1152 N CB -0.145 38.343 38.487 0.002 0.000 0.999 1152 N HN 0.534 nan 8.380 nan 0.000 0.464 1153 N N 2.382 121.017 118.700 -0.109 0.000 2.439 1153 N HA 0.125 4.865 4.740 0.000 0.000 0.243 1153 N C -1.902 173.586 175.510 -0.036 0.000 1.088 1153 N CA -1.674 51.287 53.050 -0.149 0.000 0.940 1153 N CB 1.580 39.778 38.487 -0.483 0.000 1.180 1153 N HN -0.071 nan 8.380 nan 0.000 0.505 1154 P HA -0.168 nan 4.420 nan 0.000 0.217 1154 P C 1.198 178.537 177.300 0.066 0.000 1.151 1154 P CA 1.128 64.231 63.100 0.005 0.000 0.849 1154 P CB 0.355 32.054 31.700 -0.003 0.000 0.787 1155 R N -0.975 119.586 120.500 0.101 0.000 2.092 1155 R HA -0.139 4.201 4.340 0.000 0.000 0.231 1155 R C 2.027 178.451 176.300 0.207 0.000 1.119 1155 R CA 1.780 57.967 56.100 0.145 0.000 0.970 1155 R CB -1.573 28.821 30.300 0.156 0.000 0.864 1155 R HN 0.243 nan 8.270 nan 0.000 0.440 1156 H N -0.178 118.914 119.070 0.037 0.000 2.387 1156 H HA 0.081 4.637 4.556 0.000 0.000 0.299 1156 H C 1.944 177.306 175.328 0.057 0.000 1.090 1156 H CA 1.782 57.859 56.048 0.048 0.000 1.332 1156 H CB 0.016 29.814 29.762 0.060 0.000 1.386 1156 H HN 0.163 nan 8.280 nan 0.000 0.516 1157 R N 0.237 120.855 120.500 0.197 0.000 2.092 1157 R HA -0.119 4.221 4.340 0.000 0.000 0.231 1157 R C 2.157 178.540 176.300 0.139 0.000 1.119 1157 R CA 1.258 57.465 56.100 0.180 0.000 0.970 1157 R CB -0.050 30.298 30.300 0.079 0.000 0.864 1157 R HN 0.511 nan 8.270 nan 0.000 0.440 1158 E N 1.260 121.538 120.200 0.130 0.000 2.047 1158 E HA -0.144 4.206 4.350 0.000 0.000 0.191 1158 E C 2.007 178.742 176.600 0.225 0.000 0.987 1158 E CA 0.878 57.383 56.400 0.176 0.000 0.799 1158 E CB 0.002 29.817 29.700 0.191 0.000 0.752 1158 E HN 0.230 nan 8.360 nan 0.000 0.449 1159 I N 1.143 121.789 120.570 0.127 0.000 2.208 1159 I HA -0.273 3.897 4.170 0.000 0.000 0.245 1159 I C 2.607 178.743 176.117 0.032 0.000 1.097 1159 I CA 1.077 62.403 61.300 0.044 0.000 1.363 1159 I CB -0.376 37.588 38.000 -0.059 0.000 1.051 1159 I HN 0.216 nan 8.210 nan 0.000 0.413 1160 A N 0.696 123.525 122.820 0.015 0.000 1.933 1160 A HA -0.161 4.159 4.320 0.000 0.000 0.218 1160 A C 2.532 180.072 177.584 -0.073 0.000 1.175 1160 A CA 1.864 53.860 52.037 -0.068 0.000 0.628 1160 A CB -0.741 18.080 19.000 -0.298 0.000 0.814 1160 A HN 0.447 nan 8.150 nan 0.000 0.444 1161 A N -1.259 121.535 122.820 -0.044 0.000 1.873 1161 A HA 0.042 4.362 4.320 0.000 0.000 0.215 1161 A C 1.941 179.452 177.584 -0.122 0.000 1.186 1161 A CA 1.451 53.432 52.037 -0.093 0.000 0.616 1161 A CB -0.694 18.235 19.000 -0.119 0.000 0.823 1161 A HN 0.443 nan 8.150 nan 0.000 0.442 1162 F N -0.157 119.767 119.950 -0.043 0.000 2.186 1162 F HA -0.047 4.480 4.527 0.000 0.000 0.299 1162 F C 2.541 178.293 175.800 -0.080 0.000 1.090 1162 F CA 1.449 59.398 58.000 -0.084 0.000 1.307 1162 F CB -0.245 38.658 39.000 -0.163 0.000 1.019 1162 F HN 0.098 nan 8.300 nan 0.000 0.489 1163 R N 0.016 120.557 120.500 0.069 0.000 2.073 1163 R HA -0.155 4.185 4.340 0.000 0.000 0.234 1163 R C 2.209 178.569 176.300 0.101 0.000 1.134 1163 R CA 1.512 57.610 56.100 -0.002 0.000 0.952 1163 R CB -0.720 29.501 30.300 -0.132 0.000 0.850 1163 R HN 0.292 nan 8.270 nan 0.000 0.433 1164 L N 0.201 121.516 121.223 0.155 0.000 2.056 1164 L HA -0.188 4.152 4.340 0.000 0.000 0.207 1164 L C 2.348 179.297 176.870 0.133 0.000 1.078 1164 L CA 0.660 55.602 54.840 0.169 0.000 0.749 1164 L CB -0.339 41.803 42.059 0.137 0.000 0.901 1164 L HN 0.193 nan 8.230 nan 0.000 0.433 1165 L N -1.017 120.265 121.223 0.098 0.000 2.093 1165 L HA -0.142 4.198 4.340 0.000 0.000 0.208 1165 L C 2.487 179.489 176.870 0.219 0.000 1.085 1165 L CA 1.678 56.598 54.840 0.132 0.000 0.755 1165 L CB -0.335 41.730 42.059 0.011 0.000 0.904 1165 L HN 0.091 nan 8.230 nan 0.000 0.435 1166 S N -0.687 115.117 115.700 0.174 0.000 2.377 1166 S HA -0.072 4.398 4.470 0.000 0.000 0.223 1166 S C 1.771 176.432 174.600 0.103 0.000 1.030 1166 S CA 1.134 59.436 58.200 0.170 0.000 0.970 1166 S CB -0.068 63.245 63.200 0.189 0.000 0.830 1166 S HN 0.451 nan 8.310 nan 0.000 0.473 1167 K N 0.475 120.935 120.400 0.100 0.000 2.356 1167 K HA 0.252 4.572 4.320 0.000 0.000 0.195 1167 K C 1.834 178.463 176.600 0.048 0.000 1.037 1167 K CA 0.139 56.469 56.287 0.072 0.000 1.014 1167 K CB -0.056 32.504 32.500 0.099 0.000 0.815 1167 K HN 0.170 nan 8.250 nan 0.000 0.507 1168 M N 0.994 120.634 119.600 0.066 0.000 2.082 1168 M HA -0.100 4.380 4.480 0.000 0.000 0.258 1168 M C -0.894 175.390 176.300 -0.026 0.000 1.069 1168 M CA 1.805 57.129 55.300 0.041 0.000 1.102 1168 M CB -1.668 30.972 32.600 0.066 0.000 1.336 1168 M HN -0.082 nan 8.290 nan 0.000 0.404 1169 P HA -0.066 nan 4.420 nan 0.000 0.216 1169 P C 1.451 178.752 177.300 0.002 0.000 1.153 1169 P CA 1.437 64.454 63.100 -0.139 0.000 0.848 1169 P CB -0.224 31.283 31.700 -0.322 0.000 0.787 1170 T N -0.657 113.872 114.554 -0.042 0.000 2.684 1170 T HA -0.159 4.191 4.350 0.000 0.000 0.267 1170 T C 1.754 176.388 174.700 -0.110 0.000 1.036 1170 T CA 1.576 63.634 62.100 -0.069 0.000 1.148 1170 T CB -0.775 68.061 68.868 -0.054 0.000 0.863 1170 T HN 0.113 nan 8.240 nan 0.000 0.436 1171 M N 0.804 120.377 119.600 -0.045 0.000 2.200 1171 M HA 0.107 4.587 4.480 0.000 0.000 0.265 1171 M C 2.826 179.131 176.300 0.007 0.000 1.066 1171 M CA 1.158 56.461 55.300 0.006 0.000 1.127 1171 M CB -0.401 32.247 32.600 0.081 0.000 1.379 1171 M HN 0.278 nan 8.290 nan 0.000 0.420 1172 A N 0.686 123.515 122.820 0.015 0.000 1.930 1172 A HA -0.004 4.316 4.320 0.000 0.000 0.217 1172 A C 2.405 180.031 177.584 0.069 0.000 1.175 1172 A CA 1.819 53.883 52.037 0.045 0.000 0.627 1172 A CB -0.847 18.174 19.000 0.035 0.000 0.815 1172 A HN 0.466 nan 8.150 nan 0.000 0.443 1173 A N -0.460 122.397 122.820 0.060 0.000 1.902 1173 A HA -0.118 4.202 4.320 0.000 0.000 0.217 1173 A C 2.237 179.739 177.584 -0.136 0.000 1.181 1173 A CA 1.818 53.813 52.037 -0.071 0.000 0.623 1173 A CB -0.541 18.368 19.000 -0.151 0.000 0.818 1173 A HN 0.520 nan 8.150 nan 0.000 0.443 1174 M N -1.109 118.290 119.600 -0.334 0.000 2.213 1174 M HA -0.174 4.307 4.480 0.000 0.000 0.263 1174 M C 2.251 178.341 176.300 -0.351 0.000 1.062 1174 M CA 1.098 55.968 55.300 -0.716 0.000 1.105 1174 M CB -0.607 30.982 32.600 -1.686 0.000 1.385 1174 M HN 0.544 nan 8.290 nan 0.000 0.417 1175 C N -0.804 118.440 119.300 -0.093 0.000 2.425 1175 C HA -0.191 4.270 4.460 0.000 0.000 0.277 1175 C C 2.628 177.692 174.990 0.123 0.000 1.280 1175 C CA 0.744 59.822 59.018 0.100 0.000 1.744 1175 C CB -1.015 26.768 27.740 0.072 0.000 1.989 1175 C HN 0.576 nan 8.230 nan 0.000 0.491 1176 Y N 1.721 121.985 120.300 -0.060 0.000 2.184 1176 Y HA -0.128 4.423 4.550 0.000 0.000 0.290 1176 Y C 2.409 178.277 175.900 -0.053 0.000 1.129 1176 Y CA 1.418 59.465 58.100 -0.088 0.000 1.144 1176 Y CB -0.165 38.182 38.460 -0.189 0.000 0.995 1176 Y HN 0.039 nan 8.280 nan 0.000 0.513 1177 K N 0.032 120.345 120.400 -0.146 0.000 2.063 1177 K HA -0.261 4.059 4.320 0.000 0.000 0.208 1177 K C 1.961 178.501 176.600 -0.100 0.000 1.048 1177 K CA 1.879 58.057 56.287 -0.180 0.000 0.928 1177 K CB -1.186 31.371 32.500 0.094 0.000 0.713 1177 K HN 0.519 nan 8.250 nan 0.000 0.442 1178 Y N 2.082 122.400 120.300 0.030 0.000 2.242 1178 Y HA -0.257 4.293 4.550 0.000 0.000 0.291 1178 Y C 2.570 178.426 175.900 -0.073 0.000 1.137 1178 Y CA 1.987 60.088 58.100 0.002 0.000 1.181 1178 Y CB -0.125 38.442 38.460 0.179 0.000 0.989 1178 Y HN 0.206 nan 8.280 nan 0.000 0.527 1179 S N 0.399 116.077 115.700 -0.037 0.000 2.399 1179 S HA -0.206 4.264 4.470 0.000 0.000 0.231 1179 S C 1.696 176.167 174.600 -0.214 0.000 1.022 1179 S CA 1.436 59.573 58.200 -0.104 0.000 0.983 1179 S CB -1.165 62.011 63.200 -0.039 0.000 0.803 1179 S HN 0.652 nan 8.310 nan 0.000 0.480 1180 I N -2.711 117.674 120.570 -0.308 0.000 3.956 1180 I HA 0.547 4.717 4.170 0.000 0.000 0.333 1180 I C 1.229 177.180 176.117 -0.277 0.000 1.302 1180 I CA 0.066 61.186 61.300 -0.300 0.000 1.122 1180 I CB -0.457 37.297 38.000 -0.410 0.000 1.013 1180 I HN 0.349 nan 8.210 nan 0.000 0.405 1181 G N 1.876 110.485 108.800 -0.317 0.000 2.256 1181 G HA2 -0.239 3.721 3.960 0.000 0.000 0.272 1181 G HA3 -0.239 3.721 3.960 0.000 0.000 0.272 1181 G C -0.214 174.531 174.900 -0.259 0.000 1.076 1181 G CA -0.001 44.919 45.100 -0.300 0.000 0.882 1181 G HN 0.636 nan 8.290 nan 0.000 0.497 1182 Q N -0.001 119.631 119.800 -0.278 0.000 2.306 1182 Q HA 0.481 4.821 4.340 0.000 0.000 0.265 1182 Q C -2.169 173.668 176.000 -0.272 0.000 1.022 1182 Q CA -2.043 53.620 55.803 -0.233 0.000 0.853 1182 Q CB 2.572 31.183 28.738 -0.212 0.000 1.327 1182 Q HN 0.267 nan 8.270 nan 0.000 0.449 1183 P HA -0.007 nan 4.420 nan 0.000 0.268 1183 P C -0.851 176.328 177.300 -0.202 0.000 1.208 1183 P CA 0.108 63.038 63.100 -0.284 0.000 0.777 1183 P CB 0.402 32.000 31.700 -0.169 0.000 0.875 1184 F N 0.360 120.189 119.950 -0.202 0.000 2.471 1184 F HA 0.134 4.661 4.527 0.000 0.000 0.353 1184 F C 0.872 176.465 175.800 -0.346 0.000 1.113 1184 F CA -0.508 57.307 58.000 -0.309 0.000 1.262 1184 F CB -0.012 38.752 39.000 -0.393 0.000 1.146 1184 F HN -0.023 nan 8.300 nan 0.000 0.578 1185 V N 3.753 123.590 119.914 -0.128 0.000 2.483 1185 V HA 0.286 4.406 4.120 0.000 0.000 0.295 1185 V C -0.404 175.553 176.094 -0.229 0.000 1.035 1185 V CA -1.068 61.136 62.300 -0.159 0.000 0.896 1185 V CB 1.011 32.763 31.823 -0.118 0.000 0.986 1185 V HN 0.467 nan 8.190 nan 0.000 0.447 1186 Y N 4.286 124.573 120.300 -0.021 0.000 2.298 1186 Y HA 0.383 4.933 4.550 0.000 0.000 0.329 1186 Y C -1.793 174.084 175.900 -0.039 0.000 1.293 1186 Y CA -1.873 56.209 58.100 -0.030 0.000 1.388 1186 Y CB 0.353 38.803 38.460 -0.017 0.000 1.309 1186 Y HN 0.452 nan 8.280 nan 0.000 0.544 1187 P HA 0.163 nan 4.420 nan 0.000 0.272 1187 P C -0.786 176.550 177.300 0.060 0.000 1.230 1187 P CA -0.198 62.937 63.100 0.059 0.000 0.788 1187 P CB 0.588 32.313 31.700 0.042 0.000 0.949 1188 R N 2.575 123.096 120.500 0.035 0.000 2.312 1188 R HA 0.204 4.544 4.340 0.000 0.000 0.310 1188 R C 0.247 176.563 176.300 0.026 0.000 1.064 1188 R CA -0.484 55.636 56.100 0.034 0.000 0.983 1188 R CB 0.303 30.628 30.300 0.042 0.000 1.139 1188 R HN 0.380 nan 8.270 nan 0.000 0.536 1189 N N 1.379 120.088 118.700 0.015 0.000 2.503 1189 N HA -0.191 4.549 4.740 0.000 0.000 0.189 1189 N C 0.926 176.449 175.510 0.021 0.000 1.048 1189 N CA 1.371 54.426 53.050 0.009 0.000 0.905 1189 N CB 0.165 38.645 38.487 -0.010 0.000 0.951 1189 N HN 0.594 nan 8.380 nan 0.000 0.446 1190 D N -0.993 119.424 120.400 0.028 0.000 2.367 1190 D HA -0.023 4.617 4.640 0.000 0.000 0.207 1190 D C 0.499 176.830 176.300 0.051 0.000 1.034 1190 D CA -0.022 53.999 54.000 0.036 0.000 0.861 1190 D CB 0.182 41.000 40.800 0.031 0.000 0.943 1190 D HN 0.165 nan 8.370 nan 0.000 0.515 1191 L N 1.495 122.752 121.223 0.056 0.000 2.416 1191 L HA 0.229 4.570 4.340 0.000 0.000 0.262 1191 L C 1.055 177.981 176.870 0.092 0.000 1.093 1191 L CA -0.803 54.081 54.840 0.073 0.000 0.801 1191 L CB 1.602 43.704 42.059 0.072 0.000 1.191 1191 L HN -0.005 nan 8.230 nan 0.000 0.459 1192 S N -0.312 115.458 115.700 0.118 0.000 2.634 1192 S HA 0.048 4.518 4.470 0.000 0.000 0.261 1192 S C 0.886 175.604 174.600 0.197 0.000 1.271 1192 S CA -0.295 58.005 58.200 0.167 0.000 0.985 1192 S CB 0.475 63.780 63.200 0.175 0.000 0.968 1192 S HN 0.546 nan 8.310 nan 0.000 0.568 1193 Y N 1.340 121.719 120.300 0.131 0.000 2.053 1193 Y HA -0.187 4.364 4.550 0.000 0.000 0.277 1193 Y C 2.732 178.712 175.900 0.134 0.000 1.159 1193 Y CA 2.605 60.787 58.100 0.137 0.000 1.125 1193 Y CB -1.082 37.493 38.460 0.191 0.000 0.969 1193 Y HN 0.816 nan 8.280 nan 0.000 0.492 1194 A N -0.498 122.529 122.820 0.346 0.000 1.969 1194 A HA -0.048 4.272 4.320 0.000 0.000 0.218 1194 A C 2.401 180.113 177.584 0.213 0.000 1.169 1194 A CA 1.533 53.725 52.037 0.259 0.000 0.635 1194 A CB -1.547 17.587 19.000 0.223 0.000 0.810 1194 A HN 0.605 nan 8.150 nan 0.000 0.445 1195 G N 0.077 108.981 108.800 0.174 0.000 2.403 1195 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 1195 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 1195 G C 1.462 176.429 174.900 0.111 0.000 1.154 1195 G CA 1.164 46.350 45.100 0.144 0.000 0.784 1195 G HN 0.613 nan 8.290 nan 0.000 0.538 1196 N N -0.001 118.749 118.700 0.083 0.000 2.166 1196 N HA -0.133 4.607 4.740 0.000 0.000 0.186 1196 N C 1.807 177.322 175.510 0.008 0.000 1.019 1196 N CA 1.131 54.199 53.050 0.029 0.000 0.856 1196 N CB -0.387 38.094 38.487 -0.009 0.000 0.993 1196 N HN 0.227 nan 8.380 nan 0.000 0.426 1197 F N 0.955 120.822 119.950 -0.139 0.000 2.102 1197 F HA 0.017 4.544 4.527 0.000 0.000 0.298 1197 F C 1.850 177.556 175.800 -0.157 0.000 1.105 1197 F CA 1.161 59.053 58.000 -0.180 0.000 1.239 1197 F CB -0.516 38.371 39.000 -0.189 0.000 0.991 1197 F HN 0.063 nan 8.300 nan 0.000 0.474 1198 L N 0.177 121.304 121.223 -0.160 0.000 2.042 1198 L HA -0.267 4.073 4.340 0.000 0.000 0.210 1198 L C 2.290 179.012 176.870 -0.246 0.000 1.076 1198 L CA 1.855 56.581 54.840 -0.190 0.000 0.749 1198 L CB -0.963 41.182 42.059 0.142 0.000 0.893 1198 L HN 0.261 nan 8.230 nan 0.000 0.432 1199 N N 0.309 118.932 118.700 -0.128 0.000 2.084 1199 N HA -0.197 4.543 4.740 0.000 0.000 0.190 1199 N C 1.912 177.249 175.510 -0.290 0.000 1.030 1199 N CA 1.548 54.497 53.050 -0.169 0.000 0.849 1199 N CB -0.076 38.407 38.487 -0.006 0.000 1.012 1199 N HN 0.170 nan 8.380 nan 0.000 0.423 1200 M N -0.809 118.629 119.600 -0.271 0.000 2.374 1200 M HA -0.073 4.407 4.480 0.000 0.000 0.264 1200 M C 1.587 177.654 176.300 -0.389 0.000 1.067 1200 M CA 0.814 55.950 55.300 -0.272 0.000 1.103 1200 M CB -0.049 32.428 32.600 -0.205 0.000 1.402 1200 M HN 0.283 nan 8.290 nan 0.000 0.444 1201 M N -1.081 118.127 119.600 -0.653 0.000 2.160 1201 M HA -0.001 4.479 4.480 0.000 0.000 0.264 1201 M C 1.456 177.298 176.300 -0.762 0.000 1.073 1201 M CA 1.837 56.606 55.300 -0.885 0.000 1.142 1201 M CB -0.552 31.077 32.600 -1.619 0.000 1.358 1201 M HN 0.231 nan 8.290 nan 0.000 0.422 1202 F N -0.480 119.224 119.950 -0.409 0.000 2.706 1202 F HA 0.136 4.663 4.527 0.000 0.000 0.308 1202 F C 1.487 176.941 175.800 -0.576 0.000 1.095 1202 F CA -0.615 57.129 58.000 -0.426 0.000 1.244 1202 F CB 0.002 38.728 39.000 -0.456 0.000 1.063 1202 F HN -0.006 nan 8.300 nan 0.000 0.582 1203 S N -0.067 115.327 115.700 -0.510 0.000 2.593 1203 S HA 0.510 4.980 4.470 0.000 0.000 0.269 1203 S C 0.017 174.553 174.600 -0.107 0.000 1.334 1203 S CA -0.145 57.879 58.200 -0.294 0.000 1.015 1203 S CB 1.462 64.555 63.200 -0.177 0.000 0.912 1203 S HN 0.044 nan 8.310 nan 0.000 0.541 1204 T N 1.757 116.298 114.554 -0.023 0.000 2.864 1204 T HA 0.556 4.906 4.350 0.000 0.000 0.299 1204 T C -2.321 172.383 174.700 0.007 0.000 1.166 1204 T CA -1.059 61.031 62.100 -0.016 0.000 1.007 1204 T CB 1.770 70.638 68.868 0.000 0.000 1.219 1204 T HN 0.406 nan 8.240 nan 0.000 0.506 1205 P HA 0.153 nan 4.420 nan 0.000 0.236 1205 P C 0.966 178.274 177.300 0.014 0.000 1.177 1205 P CA 0.358 63.464 63.100 0.010 0.000 0.773 1205 P CB -0.109 31.592 31.700 0.002 0.000 0.878 1206 C N 0.118 119.425 119.300 0.012 0.000 2.432 1206 C HA 0.014 4.474 4.460 0.000 0.000 0.280 1206 C C 1.182 176.187 174.990 0.024 0.000 1.353 1206 C CA 0.364 59.390 59.018 0.013 0.000 1.766 1206 C CB -1.368 26.377 27.740 0.008 0.000 1.924 1206 C HN 0.367 nan 8.230 nan 0.000 0.509 1207 E N 0.435 120.659 120.200 0.040 0.000 2.388 1207 E HA 0.350 4.700 4.350 0.000 0.000 0.280 1207 E C -3.142 173.503 176.600 0.075 0.000 1.019 1207 E CA -1.276 55.153 56.400 0.047 0.000 0.806 1207 E CB 0.919 30.645 29.700 0.044 0.000 1.246 1207 E HN -0.043 nan 8.360 nan 0.000 0.443 1208 P HA 0.069 nan 4.420 nan 0.000 0.272 1208 P C -1.290 176.091 177.300 0.136 0.000 1.223 1208 P CA -0.050 63.102 63.100 0.088 0.000 0.784 1208 P CB 0.401 32.131 31.700 0.051 0.000 0.923 1209 Y N 0.626 120.936 120.300 0.017 0.000 2.387 1209 Y HA 0.246 4.796 4.550 0.000 0.000 0.336 1209 Y C 0.319 176.229 175.900 0.017 0.000 1.067 1209 Y CA -0.494 57.619 58.100 0.021 0.000 1.114 1209 Y CB 1.519 40.001 38.460 0.036 0.000 1.208 1209 Y HN 0.331 nan 8.280 nan 0.000 0.458 1210 E N 4.753 124.610 120.200 -0.571 0.000 2.134 1210 E HA 0.305 4.655 4.350 0.000 0.000 0.278 1210 E C -1.216 175.101 176.600 -0.470 0.000 0.959 1210 E CA -0.821 55.353 56.400 -0.376 0.000 0.783 1210 E CB 1.952 31.481 29.700 -0.285 0.000 1.095 1210 E HN 0.357 nan 8.360 nan 0.000 0.399 1211 V N 4.347 124.172 119.914 -0.148 0.000 2.338 1211 V HA 0.001 4.121 4.120 0.000 0.000 0.255 1211 V C 0.514 176.586 176.094 -0.037 0.000 1.082 1211 V CA -0.673 61.615 62.300 -0.021 0.000 0.951 1211 V CB 0.097 31.976 31.823 0.095 0.000 1.102 1211 V HN 0.619 nan 8.190 nan 0.000 0.489 1212 N N 7.171 125.832 118.700 -0.064 0.000 2.412 1212 N HA 0.064 4.804 4.740 0.000 0.000 0.258 1212 N C -1.666 173.843 175.510 -0.002 0.000 1.236 1212 N CA -1.122 51.900 53.050 -0.046 0.000 0.882 1212 N CB 1.905 40.358 38.487 -0.057 0.000 1.066 1212 N HN 0.212 nan 8.380 nan 0.000 0.465 1213 P HA 0.000 nan 4.420 nan 0.000 0.217 1213 P C 1.305 178.615 177.300 0.017 0.000 1.151 1213 P CA 1.058 64.166 63.100 0.014 0.000 0.828 1213 P CB 0.312 32.015 31.700 0.005 0.000 0.788 1214 I N -1.574 118.996 120.570 0.001 0.000 2.439 1214 I HA -0.154 4.016 4.170 0.000 0.000 0.251 1214 I C 2.078 178.202 176.117 0.011 0.000 1.139 1214 I CA 1.090 62.389 61.300 -0.002 0.000 1.438 1214 I CB -0.468 37.517 38.000 -0.025 0.000 1.085 1214 I HN -0.098 nan 8.210 nan 0.000 0.427 1215 L N 0.229 121.462 121.223 0.016 0.000 2.131 1215 L HA -0.130 4.210 4.340 0.000 0.000 0.206 1215 L C 2.557 179.469 176.870 0.070 0.000 1.087 1215 L CA 1.095 55.957 54.840 0.037 0.000 0.767 1215 L CB -0.643 41.438 42.059 0.036 0.000 0.917 1215 L HN 0.283 nan 8.230 nan 0.000 0.441 1216 E N 1.006 121.250 120.200 0.074 0.000 2.058 1216 E HA -0.290 4.060 4.350 0.000 0.000 0.194 1216 E C 2.381 179.037 176.600 0.094 0.000 0.997 1216 E CA 1.393 57.852 56.400 0.098 0.000 0.801 1216 E CB 0.054 29.807 29.700 0.089 0.000 0.746 1216 E HN 0.284 nan 8.360 nan 0.000 0.450 1217 R N -0.104 120.438 120.500 0.069 0.000 2.090 1217 R HA -0.076 4.264 4.340 0.000 0.000 0.228 1217 R C 2.244 178.581 176.300 0.063 0.000 1.110 1217 R CA 1.105 57.243 56.100 0.064 0.000 0.973 1217 R CB -0.235 30.091 30.300 0.044 0.000 0.869 1217 R HN 0.209 nan 8.270 nan 0.000 0.440 1218 A N 1.111 123.964 122.820 0.054 0.000 1.883 1218 A HA -0.240 4.080 4.320 0.000 0.000 0.217 1218 A C 2.097 179.721 177.584 0.067 0.000 1.186 1218 A CA 1.714 53.782 52.037 0.052 0.000 0.624 1218 A CB -0.569 18.453 19.000 0.038 0.000 0.822 1218 A HN 0.443 nan 8.150 nan 0.000 0.444 1219 M N 0.294 119.943 119.600 0.082 0.000 2.065 1219 M HA -0.162 4.318 4.480 0.000 0.000 0.259 1219 M C 1.713 178.054 176.300 0.068 0.000 1.069 1219 M CA 2.413 57.768 55.300 0.091 0.000 1.110 1219 M CB -0.693 31.998 32.600 0.151 0.000 1.328 1219 M HN 0.523 nan 8.290 nan 0.000 0.405 1220 D N -0.545 119.910 120.400 0.091 0.000 2.158 1220 D HA -0.210 4.430 4.640 0.000 0.000 0.197 1220 D C 1.998 178.351 176.300 0.089 0.000 0.995 1220 D CA 1.347 55.406 54.000 0.097 0.000 0.846 1220 D CB 0.003 40.884 40.800 0.134 0.000 0.941 1220 D HN 0.453 nan 8.370 nan 0.000 0.456 1221 R N -0.016 120.536 120.500 0.086 0.000 2.092 1221 R HA -0.024 4.316 4.340 0.000 0.000 0.231 1221 R C 2.677 179.045 176.300 0.113 0.000 1.119 1221 R CA 0.617 56.771 56.100 0.090 0.000 0.970 1221 R CB -0.131 30.211 30.300 0.070 0.000 0.864 1221 R HN 0.293 nan 8.270 nan 0.000 0.440 1222 I N 0.652 121.290 120.570 0.113 0.000 2.264 1222 I HA -0.294 3.876 4.170 0.000 0.000 0.248 1222 I C 1.808 178.051 176.117 0.211 0.000 1.111 1222 I CA 1.019 62.433 61.300 0.190 0.000 1.382 1222 I CB -0.172 37.890 38.000 0.104 0.000 1.060 1222 I HN 0.114 nan 8.210 nan 0.000 0.418 1223 L N 0.322 121.552 121.223 0.013 0.000 2.027 1223 L HA -0.175 4.165 4.340 0.000 0.000 0.206 1223 L C 2.327 179.254 176.870 0.095 0.000 1.074 1223 L CA 1.820 56.552 54.840 -0.180 0.000 0.745 1223 L CB -0.657 41.011 42.059 -0.653 0.000 0.898 1223 L HN 0.148 nan 8.230 nan 0.000 0.433 1224 I N -1.035 119.653 120.570 0.197 0.000 2.142 1224 I HA -0.332 3.838 4.170 0.000 0.000 0.240 1224 I C 2.214 178.427 176.117 0.160 0.000 1.078 1224 I CA 1.278 62.715 61.300 0.228 0.000 1.343 1224 I CB -0.345 37.752 38.000 0.162 0.000 1.046 1224 I HN 0.172 nan 8.210 nan 0.000 0.405 1225 L N -0.247 121.046 121.223 0.117 0.000 2.450 1225 L HA -0.205 4.135 4.340 0.000 0.000 0.224 1225 L C 1.488 178.233 176.870 -0.208 0.000 1.149 1225 L CA 1.144 55.971 54.840 -0.021 0.000 0.816 1225 L CB -0.668 41.344 42.059 -0.077 0.000 0.932 1225 L HN 0.394 nan 8.230 nan 0.000 0.449 1226 H N -2.130 116.943 119.070 0.006 0.000 2.893 1226 H HA 0.281 4.837 4.556 0.000 0.000 0.270 1226 H C 1.940 177.255 175.328 -0.022 0.000 1.095 1226 H CA 0.370 56.394 56.048 -0.041 0.000 1.186 1226 H CB 0.382 30.125 29.762 -0.033 0.000 1.562 1226 H HN 0.142 nan 8.280 nan 0.000 0.536 1227 A N 0.260 123.151 122.820 0.118 0.000 1.927 1227 A HA -0.157 4.163 4.320 0.000 0.000 0.220 1227 A C 0.548 178.109 177.584 -0.039 0.000 1.185 1227 A CA 2.165 54.241 52.037 0.065 0.000 0.639 1227 A CB -0.111 18.884 19.000 -0.008 0.000 0.820 1227 A HN 0.505 nan 8.150 nan 0.000 0.451 1228 D N -5.245 115.159 120.400 0.006 0.000 2.706 1228 D HA 0.361 5.001 4.640 0.000 0.000 0.227 1228 D C -0.893 175.628 176.300 0.368 0.000 1.233 1228 D CA -0.545 53.537 54.000 0.137 0.000 0.768 1228 D CB 0.629 41.501 40.800 0.121 0.000 1.490 1228 D HN 0.200 nan 8.370 nan 0.000 0.458 1229 H N 2.812 121.987 119.070 0.175 0.000 2.901 1229 H HA 0.209 4.765 4.556 0.000 0.000 0.227 1229 H C -0.146 175.239 175.328 0.094 0.000 1.390 1229 H CA -0.290 55.846 56.048 0.146 0.000 1.120 1229 H CB 0.310 30.136 29.762 0.107 0.000 2.131 1229 H HN 0.605 nan 8.280 nan 0.000 0.549 1230 E N 0.439 120.735 120.200 0.161 0.000 4.788 1230 E HA -0.223 4.128 4.350 0.000 0.000 0.194 1230 E C -0.388 176.167 176.600 -0.074 0.000 1.477 1230 E CA 0.503 56.940 56.400 0.061 0.000 2.443 1230 E CB 0.002 29.659 29.700 -0.071 0.000 2.075 1230 E HN 0.454 nan 8.360 nan 0.000 0.466 1231 Q N 1.358 121.127 119.800 -0.051 0.000 3.034 1231 Q HA 0.023 4.363 4.340 0.000 0.000 0.249 1231 Q C 0.001 175.973 176.000 -0.047 0.000 1.282 1231 Q CA 0.877 56.648 55.803 -0.053 0.000 0.918 1231 Q CB -1.548 27.191 28.738 0.001 0.000 1.772 1231 Q HN 0.308 nan 8.270 nan 0.000 0.498 1232 N N -1.436 117.245 118.700 -0.032 0.000 2.431 1232 N HA 0.380 5.120 4.740 0.000 0.000 0.289 1232 N C 0.965 176.482 175.510 0.011 0.000 1.277 1232 N CA -0.012 53.039 53.050 0.002 0.000 0.972 1232 N CB 0.201 38.729 38.487 0.069 0.000 1.143 1232 N HN -0.016 nan 8.380 nan 0.000 0.578 1233 A N -0.031 122.798 122.820 0.015 0.000 1.845 1233 A HA -0.191 4.130 4.320 0.000 0.000 0.215 1233 A C 2.179 179.767 177.584 0.006 0.000 1.195 1233 A CA 2.490 54.524 52.037 -0.006 0.000 0.616 1233 A CB -1.787 17.206 19.000 -0.012 0.000 0.832 1233 A HN 0.806 nan 8.150 nan 0.000 0.443 1234 S N -0.981 114.757 115.700 0.062 0.000 2.383 1234 S HA -0.166 4.305 4.470 0.000 0.000 0.229 1234 S C 1.779 176.344 174.600 -0.059 0.000 1.030 1234 S CA 2.019 60.236 58.200 0.029 0.000 1.002 1234 S CB -1.235 62.096 63.200 0.218 0.000 0.829 1234 S HN 0.495 nan 8.310 nan 0.000 0.467 1235 T N 1.930 116.532 114.554 0.079 0.000 2.951 1235 T HA 0.072 4.422 4.350 0.000 0.000 0.268 1235 T C 2.001 176.693 174.700 -0.012 0.000 1.073 1235 T CA 1.270 63.397 62.100 0.045 0.000 1.134 1235 T CB -0.419 68.456 68.868 0.012 0.000 0.884 1235 T HN 0.503 nan 8.240 nan 0.000 0.479 1236 S N 0.926 116.618 115.700 -0.013 0.000 2.428 1236 S HA -0.061 4.409 4.470 0.000 0.000 0.230 1236 S C 2.304 176.896 174.600 -0.013 0.000 1.014 1236 S CA 0.911 59.112 58.200 0.001 0.000 0.957 1236 S CB -0.344 62.853 63.200 -0.004 0.000 0.784 1236 S HN 0.497 nan 8.310 nan 0.000 0.499 1237 T N 1.961 116.482 114.554 -0.055 0.000 2.812 1237 T HA -0.014 4.336 4.350 0.000 0.000 0.264 1237 T C 1.957 176.610 174.700 -0.078 0.000 1.042 1237 T CA 0.986 63.042 62.100 -0.073 0.000 1.140 1237 T CB -0.298 68.502 68.868 -0.113 0.000 0.870 1237 T HN 0.170 nan 8.240 nan 0.000 0.445 1238 V N 1.453 121.289 119.914 -0.130 0.000 2.295 1238 V HA -0.164 3.956 4.120 0.000 0.000 0.246 1238 V C 2.630 178.788 176.094 0.106 0.000 1.049 1238 V CA 1.648 63.898 62.300 -0.083 0.000 1.024 1238 V CB -0.524 31.201 31.823 -0.162 0.000 0.648 1238 V HN 0.356 nan 8.190 nan 0.000 0.447 1239 R N -0.379 120.189 120.500 0.113 0.000 2.081 1239 R HA -0.141 4.199 4.340 0.000 0.000 0.235 1239 R C 2.383 178.735 176.300 0.087 0.000 1.131 1239 R CA 1.955 58.139 56.100 0.139 0.000 0.960 1239 R CB -0.608 29.758 30.300 0.110 0.000 0.856 1239 R HN 0.501 nan 8.270 nan 0.000 0.436 1240 T N 0.446 115.034 114.554 0.056 0.000 2.857 1240 T HA -0.041 4.309 4.350 0.000 0.000 0.266 1240 T C 1.849 176.575 174.700 0.043 0.000 1.048 1240 T CA 1.179 63.302 62.100 0.038 0.000 1.139 1240 T CB -0.075 68.811 68.868 0.030 0.000 0.874 1240 T HN 0.351 nan 8.240 nan 0.000 0.455 1241 A N 1.453 124.305 122.820 0.053 0.000 1.873 1241 A HA 0.199 4.519 4.320 0.000 0.000 0.215 1241 A C 2.625 180.286 177.584 0.128 0.000 1.186 1241 A CA 1.627 53.702 52.037 0.063 0.000 0.616 1241 A CB -1.299 17.720 19.000 0.031 0.000 0.823 1241 A HN 0.489 nan 8.150 nan 0.000 0.442 1242 G N 0.104 109.042 108.800 0.231 0.000 2.448 1242 G HA2 -0.181 3.780 3.960 0.000 0.000 0.219 1242 G HA3 -0.181 3.780 3.960 0.000 0.000 0.219 1242 G C 1.904 176.834 174.900 0.050 0.000 1.127 1242 G CA 1.729 47.061 45.100 0.387 0.000 0.766 1242 G HN 0.815 nan 8.290 nan 0.000 0.552 1243 S N 1.461 117.155 115.700 -0.009 0.000 2.368 1243 S HA -0.187 4.283 4.470 0.000 0.000 0.225 1243 S C 2.506 177.071 174.600 -0.058 0.000 1.030 1243 S CA 1.868 60.014 58.200 -0.089 0.000 0.999 1243 S CB -0.743 62.427 63.200 -0.050 0.000 0.844 1243 S HN 0.618 nan 8.310 nan 0.000 0.459 1244 S N 0.961 116.661 115.700 -0.000 0.000 2.447 1244 S HA 0.289 4.759 4.470 0.000 0.000 0.233 1244 S C 1.734 176.351 174.600 0.029 0.000 1.006 1244 S CA 0.989 59.197 58.200 0.013 0.000 0.957 1244 S CB -0.883 62.335 63.200 0.031 0.000 0.773 1244 S HN 1.677 nan 8.310 nan 0.000 0.507 1245 G N 0.419 109.253 108.800 0.057 0.000 2.184 1245 G HA2 0.048 4.008 3.960 0.000 0.000 0.206 1245 G HA3 0.048 4.008 3.960 0.000 0.000 0.206 1245 G C 0.233 175.242 174.900 0.182 0.000 0.995 1245 G CA -0.113 45.051 45.100 0.107 0.000 0.651 1245 G HN 1.274 nan 8.290 nan 0.000 0.511 1246 A N 0.432 123.353 122.820 0.168 0.000 2.561 1246 A HA 0.468 4.788 4.320 0.000 0.000 0.234 1246 A C 0.854 178.555 177.584 0.195 0.000 1.055 1246 A CA 0.868 52.995 52.037 0.151 0.000 0.756 1246 A CB -0.132 18.933 19.000 0.108 0.000 0.986 1246 A HN 1.880 nan 8.150 nan 0.000 0.505 1247 N N 2.317 121.096 118.700 0.130 0.000 2.381 1247 N HA 0.197 4.937 4.740 0.000 0.000 0.241 1247 N C -2.167 173.242 175.510 -0.169 0.000 1.279 1247 N CA -0.650 52.444 53.050 0.073 0.000 0.896 1247 N CB 0.061 38.620 38.487 0.121 0.000 1.118 1247 N HN 0.240 nan 8.380 nan 0.000 0.438 1248 P HA -0.183 nan 4.420 nan 0.000 0.216 1248 P C 0.612 177.434 177.300 -0.796 0.000 1.157 1248 P CA 1.666 64.110 63.100 -1.094 0.000 0.880 1248 P CB -0.111 30.794 31.700 -1.326 0.000 0.791 1249 F N -0.732 119.129 119.950 -0.147 0.000 2.234 1249 F HA -0.051 4.476 4.527 0.000 0.000 0.299 1249 F C 2.455 178.219 175.800 -0.059 0.000 1.087 1249 F CA 0.823 58.785 58.000 -0.063 0.000 1.340 1249 F CB -1.276 37.743 39.000 0.032 0.000 1.031 1249 F HN -0.112 nan 8.300 nan 0.000 0.500 1250 A N -0.600 122.260 122.820 0.066 0.000 1.930 1250 A HA -0.152 4.169 4.320 0.000 0.000 0.217 1250 A C 2.185 179.742 177.584 -0.045 0.000 1.175 1250 A CA 1.600 53.658 52.037 0.036 0.000 0.627 1250 A CB -1.424 17.607 19.000 0.051 0.000 0.815 1250 A HN 0.489 nan 8.150 nan 0.000 0.443 1251 C N -0.397 118.827 119.300 -0.127 0.000 2.446 1251 C HA -0.038 4.422 4.460 0.000 0.000 0.277 1251 C C 2.496 177.342 174.990 -0.240 0.000 1.275 1251 C CA 0.600 59.515 59.018 -0.173 0.000 1.727 1251 C CB -1.025 26.571 27.740 -0.240 0.000 2.010 1251 C HN 0.565 nan 8.230 nan 0.000 0.486 1252 I N 1.698 122.142 120.570 -0.211 0.000 2.315 1252 I HA -0.116 4.054 4.170 0.000 0.000 0.248 1252 I C 2.754 178.779 176.117 -0.153 0.000 1.117 1252 I CA 1.783 62.990 61.300 -0.155 0.000 1.404 1252 I CB -1.670 36.367 38.000 0.062 0.000 1.071 1252 I HN 0.250 nan 8.210 nan 0.000 0.419 1253 A N 0.823 123.611 122.820 -0.055 0.000 1.972 1253 A HA -0.076 4.244 4.320 0.000 0.000 0.219 1253 A C 2.544 180.085 177.584 -0.071 0.000 1.169 1253 A CA 1.744 53.770 52.037 -0.019 0.000 0.635 1253 A CB -0.561 18.457 19.000 0.029 0.000 0.810 1253 A HN 0.404 nan 8.150 nan 0.000 0.446 1254 A N -0.466 122.278 122.820 -0.127 0.000 1.897 1254 A HA 0.207 4.527 4.320 0.000 0.000 0.215 1254 A C 2.385 179.822 177.584 -0.245 0.000 1.181 1254 A CA 1.702 53.660 52.037 -0.133 0.000 0.620 1254 A CB -1.296 17.633 19.000 -0.120 0.000 0.821 1254 A HN 0.656 nan 8.150 nan 0.000 0.443 1255 G N 0.373 108.862 108.800 -0.518 0.000 2.433 1255 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 1255 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 1255 G C 1.533 176.104 174.900 -0.549 0.000 1.186 1255 G CA 1.178 45.709 45.100 -0.948 0.000 0.779 1255 G HN 0.462 nan 8.290 nan 0.000 0.543 1256 I N 1.557 121.931 120.570 -0.326 0.000 2.091 1256 I HA -0.283 3.887 4.170 0.000 0.000 0.239 1256 I C 3.338 179.551 176.117 0.160 0.000 1.061 1256 I CA 1.331 62.707 61.300 0.127 0.000 1.317 1256 I CB -0.388 37.693 38.000 0.134 0.000 1.031 1256 I HN 0.259 nan 8.210 nan 0.000 0.401 1257 A N -0.253 122.642 122.820 0.124 0.000 1.940 1257 A HA -0.256 4.064 4.320 0.000 0.000 0.219 1257 A C 2.492 180.192 177.584 0.193 0.000 1.176 1257 A CA 2.291 54.476 52.037 0.247 0.000 0.631 1257 A CB -0.802 18.309 19.000 0.186 0.000 0.814 1257 A HN 0.450 nan 8.150 nan 0.000 0.446 1258 S N -1.038 114.707 115.700 0.074 0.000 2.402 1258 S HA -0.102 4.368 4.470 0.000 0.000 0.229 1258 S C 1.844 176.507 174.600 0.106 0.000 1.021 1258 S CA 1.386 59.613 58.200 0.045 0.000 0.974 1258 S CB -0.367 62.812 63.200 -0.036 0.000 0.800 1258 S HN 0.425 nan 8.310 nan 0.000 0.484 1259 L N 0.099 121.434 121.223 0.187 0.000 2.217 1259 L HA 0.181 4.521 4.340 0.000 0.000 0.211 1259 L C 1.806 178.846 176.870 0.283 0.000 1.107 1259 L CA 1.389 56.393 54.840 0.274 0.000 0.783 1259 L CB -0.569 41.746 42.059 0.426 0.000 0.919 1259 L HN 0.620 nan 8.230 nan 0.000 0.442 1260 W N 0.110 121.426 121.300 0.026 0.000 2.523 1260 W HA 0.167 4.827 4.660 0.000 0.000 0.278 1260 W C 2.181 178.557 176.519 -0.238 0.000 1.236 1260 W CA 0.871 58.165 57.345 -0.086 0.000 1.306 1260 W CB -0.830 28.563 29.460 -0.112 0.000 1.101 1260 W HN 0.169 nan 8.180 nan 0.000 0.577 1261 G N 2.671 111.405 108.800 -0.110 0.000 2.649 1261 G HA2 -0.315 3.645 3.960 0.000 0.000 0.220 1261 G HA3 -0.315 3.645 3.960 0.000 0.000 0.220 1261 G C -0.694 174.049 174.900 -0.263 0.000 1.189 1261 G CA 1.489 46.441 45.100 -0.246 0.000 0.777 1261 G HN 0.279 nan 8.290 nan 0.000 0.602 1262 P HA 0.190 nan 4.420 nan 0.000 0.288 1262 P C 0.173 177.410 177.300 -0.104 0.000 1.448 1262 P CA 1.229 64.278 63.100 -0.085 0.000 0.764 1262 P CB -0.149 31.535 31.700 -0.026 0.000 1.472 1263 A N -1.691 120.980 122.820 -0.247 0.000 2.630 1263 A HA 0.228 4.548 4.320 0.000 0.000 0.287 1263 A C 0.975 178.370 177.584 -0.316 0.000 1.040 1263 A CA -0.208 51.709 52.037 -0.199 0.000 0.971 1263 A CB -0.616 18.355 19.000 -0.047 0.000 1.241 1263 A HN 0.157 nan 8.150 nan 0.000 0.558 1264 H N -0.423 118.491 119.070 -0.260 0.000 2.595 1264 H HA 0.210 4.766 4.556 0.000 0.000 0.265 1264 H C 1.630 176.868 175.328 -0.151 0.000 0.953 1264 H CA 0.166 56.042 56.048 -0.286 0.000 1.197 1264 H CB 0.670 30.198 29.762 -0.391 0.000 1.438 1264 H HN 0.506 nan 8.280 nan 0.000 0.531 1265 G N 0.177 108.974 108.800 -0.005 0.000 2.305 1265 G HA2 0.058 4.018 3.960 0.000 0.000 0.243 1265 G HA3 0.058 4.018 3.960 0.000 0.000 0.243 1265 G C 1.215 176.113 174.900 -0.004 0.000 1.288 1265 G CA 0.147 45.239 45.100 -0.014 0.000 0.901 1265 G HN 0.443 nan 8.290 nan 0.000 0.516 1266 G N 1.211 110.009 108.800 -0.004 0.000 2.586 1266 G HA2 0.103 4.063 3.960 0.000 0.000 0.215 1266 G HA3 0.103 4.063 3.960 0.000 0.000 0.215 1266 G C 1.410 176.311 174.900 0.002 0.000 1.128 1266 G CA 1.304 46.407 45.100 0.005 0.000 0.774 1266 G HN 0.947 nan 8.290 nan 0.000 0.543 1267 A N -0.062 122.751 122.820 -0.013 0.000 2.197 1267 A HA 0.261 4.581 4.320 0.000 0.000 0.210 1267 A C 1.919 179.485 177.584 -0.030 0.000 1.180 1267 A CA 0.692 52.714 52.037 -0.025 0.000 0.846 1267 A CB 0.092 19.065 19.000 -0.046 0.000 0.884 1267 A HN 0.318 nan 8.150 nan 0.000 0.487 1268 N N 1.261 119.950 118.700 -0.019 0.000 2.132 1268 N HA -0.119 4.621 4.740 0.000 0.000 0.188 1268 N C 1.694 177.220 175.510 0.028 0.000 1.069 1268 N CA 1.371 54.417 53.050 -0.008 0.000 0.887 1268 N CB -0.482 38.000 38.487 -0.007 0.000 1.059 1268 N HN 0.473 nan 8.380 nan 0.000 0.453 1269 E N 1.254 121.487 120.200 0.054 0.000 2.339 1269 E HA -0.198 4.153 4.350 0.000 0.000 0.201 1269 E C 1.467 178.103 176.600 0.059 0.000 1.015 1269 E CA 1.327 57.773 56.400 0.078 0.000 0.841 1269 E CB -0.595 29.173 29.700 0.114 0.000 0.754 1269 E HN 0.382 nan 8.360 nan 0.000 0.508 1270 A N 1.535 124.381 122.820 0.043 0.000 1.898 1270 A HA 0.149 4.470 4.320 0.000 0.000 0.216 1270 A C 2.475 180.081 177.584 0.036 0.000 1.181 1270 A CA 2.141 54.199 52.037 0.035 0.000 0.620 1270 A CB -0.609 18.405 19.000 0.023 0.000 0.819 1270 A HN 0.444 nan 8.150 nan 0.000 0.442 1271 A N -0.969 121.870 122.820 0.031 0.000 2.072 1271 A HA 0.290 4.610 4.320 0.000 0.000 0.216 1271 A C 1.836 179.464 177.584 0.072 0.000 1.156 1271 A CA 0.674 52.735 52.037 0.040 0.000 0.701 1271 A CB -0.334 18.672 19.000 0.010 0.000 0.816 1271 A HN 0.409 nan 8.150 nan 0.000 0.458 1272 L N -1.104 120.164 121.223 0.075 0.000 2.599 1272 L HA 0.043 4.383 4.340 0.000 0.000 0.230 1272 L C 2.135 179.052 176.870 0.078 0.000 1.141 1272 L CA 0.523 55.423 54.840 0.100 0.000 0.877 1272 L CB 0.012 42.135 42.059 0.107 0.000 1.009 1272 L HN 0.228 nan 8.230 nan 0.000 0.447 1273 K N 0.467 120.904 120.400 0.061 0.000 2.121 1273 K HA 0.080 4.401 4.320 0.000 0.000 0.203 1273 K C 1.962 178.591 176.600 0.048 0.000 1.041 1273 K CA 1.059 57.373 56.287 0.044 0.000 0.969 1273 K CB 0.021 32.543 32.500 0.037 0.000 0.799 1273 K HN 0.028 nan 8.250 nan 0.000 0.456 1274 M N 0.635 120.268 119.600 0.054 0.000 2.346 1274 M HA -0.143 4.337 4.480 0.000 0.000 0.263 1274 M C 1.730 178.070 176.300 0.068 0.000 1.064 1274 M CA 0.898 56.230 55.300 0.054 0.000 1.083 1274 M CB -0.337 32.296 32.600 0.054 0.000 1.399 1274 M HN 0.136 nan 8.290 nan 0.000 0.435 1275 L N 1.073 122.352 121.223 0.092 0.000 1.937 1275 L HA -0.194 4.146 4.340 0.000 0.000 0.213 1275 L C 2.396 179.328 176.870 0.103 0.000 1.077 1275 L CA 2.329 57.242 54.840 0.122 0.000 0.758 1275 L CB -0.751 41.408 42.059 0.166 0.000 0.888 1275 L HN 0.225 nan 8.230 nan 0.000 0.433 1276 E N -0.297 119.958 120.200 0.092 0.000 2.152 1276 E HA -0.245 4.105 4.350 0.000 0.000 0.192 1276 E C 2.062 178.692 176.600 0.049 0.000 0.983 1276 E CA 1.238 57.683 56.400 0.074 0.000 0.818 1276 E CB -0.496 29.241 29.700 0.062 0.000 0.758 1276 E HN 0.594 nan 8.360 nan 0.000 0.467 1277 E N -0.324 119.900 120.200 0.040 0.000 2.393 1277 E HA -0.143 4.207 4.350 0.000 0.000 0.201 1277 E C -0.205 176.411 176.600 0.027 0.000 1.025 1277 E CA 0.530 56.947 56.400 0.028 0.000 0.856 1277 E CB 0.115 29.831 29.700 0.027 0.000 0.771 1277 E HN 0.220 nan 8.360 nan 0.000 0.526 1278 I N -0.098 120.492 120.570 0.034 0.000 2.545 1278 I HA 0.298 4.468 4.170 0.000 0.000 0.292 1278 I C 0.224 176.358 176.117 0.029 0.000 1.040 1278 I CA -0.556 60.760 61.300 0.026 0.000 1.068 1278 I CB 1.809 39.822 38.000 0.021 0.000 1.251 1278 I HN -0.108 nan 8.210 nan 0.000 0.424 1279 G N 5.639 114.451 108.800 0.021 0.000 3.749 1279 G HA2 0.628 4.588 3.960 0.000 0.000 0.339 1279 G HA3 0.628 4.588 3.960 0.000 0.000 0.339 1279 G C -0.547 174.360 174.900 0.013 0.000 1.513 1279 G CA -0.422 44.690 45.100 0.021 0.000 1.035 1279 G HN 0.570 nan 8.290 nan 0.000 0.480 1280 K N 1.823 122.229 120.400 0.011 0.000 2.589 1280 K HA 0.130 4.450 4.320 0.000 0.000 0.298 1280 K C 0.071 176.668 176.600 -0.006 0.000 1.136 1280 K CA -0.860 55.427 56.287 0.000 0.000 1.020 1280 K CB 1.785 34.281 32.500 -0.008 0.000 1.345 1280 K HN 0.074 nan 8.250 nan 0.000 0.478 1281 K N 1.175 121.573 120.400 -0.003 0.000 2.097 1281 K HA -0.212 4.108 4.320 0.000 0.000 0.214 1281 K C 0.163 176.743 176.600 -0.033 0.000 1.052 1281 K CA 1.718 58.001 56.287 -0.007 0.000 0.932 1281 K CB 0.000 32.498 32.500 -0.003 0.000 0.716 1281 K HN 0.537 nan 8.250 nan 0.000 0.455 1282 E N -0.011 120.158 120.200 -0.052 0.000 2.341 1282 E HA 0.142 4.492 4.350 0.000 0.000 0.279 1282 E C -0.255 176.266 176.600 -0.132 0.000 1.395 1282 E CA -0.189 56.149 56.400 -0.103 0.000 1.648 1282 E CB 0.248 29.890 29.700 -0.097 0.000 1.524 1282 E HN 0.237 nan 8.360 nan 0.000 0.462 1283 N N -0.470 118.167 118.700 -0.105 0.000 3.137 1283 N HA 0.157 4.897 4.740 0.000 0.000 0.265 1283 N C 1.212 176.676 175.510 -0.076 0.000 0.926 1283 N CA -0.092 52.901 53.050 -0.094 0.000 1.169 1283 N CB 0.308 38.769 38.487 -0.044 0.000 1.394 1283 N HN 0.027 nan 8.380 nan 0.000 1.009 1284 I N 1.791 122.342 120.570 -0.031 0.000 2.286 1284 I HA -0.072 4.098 4.170 0.000 0.000 0.248 1284 I C -0.941 175.167 176.117 -0.015 0.000 1.115 1284 I CA 1.206 62.507 61.300 0.003 0.000 1.392 1284 I CB -0.798 37.228 38.000 0.044 0.000 1.065 1284 I HN 0.263 nan 8.210 nan 0.000 0.418 1285 P HA -0.029 nan 4.420 nan 0.000 0.225 1285 P C 0.308 177.536 177.300 -0.121 0.000 1.142 1285 P CA 0.571 63.632 63.100 -0.065 0.000 0.894 1285 P CB 0.037 31.707 31.700 -0.049 0.000 0.895 1286 E N 2.271 122.342 120.200 -0.214 0.000 2.257 1286 E HA 0.039 4.389 4.350 0.000 0.000 0.278 1286 E C -0.352 175.954 176.600 -0.490 0.000 1.049 1286 E CA -0.749 55.486 56.400 -0.275 0.000 0.876 1286 E CB -0.239 29.264 29.700 -0.328 0.000 1.035 1286 E HN 0.217 nan 8.360 nan 0.000 0.419 1287 F N 1.004 120.951 119.950 -0.005 0.000 3.039 1287 F HA -0.264 4.263 4.527 0.000 0.000 0.287 1287 F C -0.984 174.817 175.800 0.002 0.000 0.956 1287 F CA 0.572 58.570 58.000 -0.003 0.000 0.971 1287 F CB -2.240 36.760 39.000 0.000 0.000 0.943 1287 F HN 0.187 nan 8.300 nan 0.000 0.766 1288 V N 0.272 120.246 119.914 0.100 0.000 4.566 1288 V HA 0.239 4.359 4.120 0.000 0.000 0.178 1288 V C 1.874 178.015 176.094 0.079 0.000 1.015 1288 V CA 0.221 62.567 62.300 0.078 0.000 1.443 1288 V CB 0.011 31.837 31.823 0.004 0.000 2.066 1288 V HN 0.287 nan 8.190 nan 0.000 0.437 1289 R N 0.907 121.443 120.500 0.060 0.000 4.160 1289 R HA 0.071 4.411 4.340 0.000 0.000 0.216 1289 R C 1.756 178.078 176.300 0.036 0.000 2.009 1289 R CA -0.168 55.973 56.100 0.067 0.000 1.664 1289 R CB -0.105 30.251 30.300 0.093 0.000 1.216 1289 R HN 0.309 nan 8.270 nan 0.000 0.648 1290 R N -0.319 120.193 120.500 0.020 0.000 2.105 1290 R HA -0.131 4.209 4.340 0.000 0.000 0.239 1290 R C 1.383 177.630 176.300 -0.088 0.000 1.135 1290 R CA 1.718 57.784 56.100 -0.055 0.000 0.967 1290 R CB -0.152 30.154 30.300 0.010 0.000 0.861 1290 R HN 0.324 nan 8.270 nan 0.000 0.442 1291 A N -0.830 122.001 122.820 0.018 0.000 2.733 1291 A HA 0.151 4.471 4.320 0.000 0.000 0.232 1291 A C 1.536 179.170 177.584 0.083 0.000 1.251 1291 A CA -0.081 51.998 52.037 0.070 0.000 1.015 1291 A CB 0.278 19.321 19.000 0.072 0.000 1.291 1291 A HN 0.051 nan 8.150 nan 0.000 0.595 1292 K N 1.914 122.355 120.400 0.069 0.000 2.280 1292 K HA -0.115 4.205 4.320 0.000 0.000 0.202 1292 K C -0.031 176.601 176.600 0.053 0.000 1.047 1292 K CA 1.279 57.602 56.287 0.061 0.000 0.942 1292 K CB -0.444 32.093 32.500 0.062 0.000 0.739 1292 K HN 0.700 nan 8.250 nan 0.000 0.457 1293 D N -0.055 120.390 120.400 0.074 0.000 2.399 1293 D HA 0.023 4.663 4.640 0.000 0.000 0.241 1293 D C 0.545 176.820 176.300 -0.042 0.000 1.133 1293 D CA -0.047 53.963 54.000 0.016 0.000 0.890 1293 D CB 0.885 41.743 40.800 0.097 0.000 1.201 1293 D HN -0.136 nan 8.370 nan 0.000 0.432 1294 K N 1.780 122.104 120.400 -0.127 0.000 3.038 1294 K HA 0.082 4.402 4.320 0.000 0.000 0.232 1294 K C 1.304 177.803 176.600 -0.168 0.000 1.124 1294 K CA -0.266 55.960 56.287 -0.102 0.000 1.232 1294 K CB -0.949 31.517 32.500 -0.056 0.000 1.767 1294 K HN 0.370 nan 8.250 nan 0.000 0.463 1295 N N 1.572 120.176 118.700 -0.162 0.000 2.057 1295 N HA -0.146 4.594 4.740 0.000 0.000 0.184 1295 N C 1.291 176.630 175.510 -0.285 0.000 1.093 1295 N CA 2.098 55.056 53.050 -0.154 0.000 0.902 1295 N CB -0.406 38.017 38.487 -0.107 0.000 1.040 1295 N HN 0.085 nan 8.380 nan 0.000 0.435 1296 D N -0.424 119.804 120.400 -0.287 0.000 2.113 1296 D HA 0.016 4.656 4.640 0.000 0.000 0.206 1296 D C 0.474 176.212 176.300 -0.936 0.000 0.979 1296 D CA 1.336 55.105 54.000 -0.384 0.000 0.862 1296 D CB -0.826 39.882 40.800 -0.154 0.000 1.013 1296 D HN 0.366 nan 8.370 nan 0.000 0.455 1297 S N -0.497 114.894 115.700 -0.515 0.000 3.420 1297 S HA -0.229 4.241 4.470 0.000 0.000 0.367 1297 S C 0.216 174.602 174.600 -0.357 0.000 1.063 1297 S CA 0.735 58.692 58.200 -0.405 0.000 1.073 1297 S CB -1.269 61.695 63.200 -0.393 0.000 0.905 1297 S HN 0.247 nan 8.310 nan 0.000 0.485 1298 F N -1.043 118.971 119.950 0.107 0.000 1.793 1298 F HA 0.362 4.889 4.527 0.000 0.000 0.236 1298 F C 1.641 177.575 175.800 0.222 0.000 1.208 1298 F CA -0.321 57.760 58.000 0.135 0.000 1.311 1298 F CB -0.789 38.205 39.000 -0.010 0.000 1.820 1298 F HN 0.052 nan 8.300 nan 0.000 0.373 1299 R N 1.285 121.983 120.500 0.331 0.000 2.377 1299 R HA 0.108 4.448 4.340 0.000 0.000 0.207 1299 R C 1.090 177.469 176.300 0.132 0.000 1.075 1299 R CA 0.971 57.188 56.100 0.194 0.000 1.035 1299 R CB -0.634 29.739 30.300 0.122 0.000 0.857 1299 R HN 0.457 nan 8.270 nan 0.000 0.475 1300 L N -1.444 119.862 121.223 0.138 0.000 2.515 1300 L HA 0.212 4.552 4.340 0.000 0.000 0.223 1300 L C 1.245 178.228 176.870 0.188 0.000 1.079 1300 L CA 0.212 55.127 54.840 0.125 0.000 0.857 1300 L CB 0.100 42.202 42.059 0.072 0.000 1.050 1300 L HN 0.166 nan 8.230 nan 0.000 0.476 1301 M N 0.045 119.798 119.600 0.254 0.000 2.551 1301 M HA 0.294 4.774 4.480 0.000 0.000 0.252 1301 M C 0.791 177.192 176.300 0.169 0.000 1.219 1301 M CA 0.247 55.720 55.300 0.288 0.000 0.978 1301 M CB 0.432 33.279 32.600 0.411 0.000 1.533 1301 M HN 0.282 nan 8.290 nan 0.000 0.474 1302 G N 1.043 109.901 108.800 0.096 0.000 2.165 1302 G HA2 -0.235 3.725 3.960 0.000 0.000 0.226 1302 G HA3 -0.235 3.725 3.960 0.000 0.000 0.226 1302 G C -0.600 174.089 174.900 -0.350 0.000 1.035 1302 G CA -0.481 44.582 45.100 -0.062 0.000 0.744 1302 G HN 0.397 nan 8.290 nan 0.000 0.501 1303 F N 0.299 120.300 119.950 0.085 0.000 2.507 1303 F HA 0.686 5.213 4.527 0.000 0.000 0.325 1303 F C 0.918 176.660 175.800 -0.097 0.000 1.116 1303 F CA 0.052 58.054 58.000 0.002 0.000 0.930 1303 F CB 1.964 41.038 39.000 0.123 0.000 1.146 1303 F HN 1.043 nan 8.300 nan 0.000 0.447 1304 G N 1.866 110.551 108.800 -0.191 0.000 2.855 1304 G HA2 0.010 3.970 3.960 0.000 0.000 0.352 1304 G HA3 0.010 3.970 3.960 0.000 0.000 0.352 1304 G C -1.609 173.148 174.900 -0.237 0.000 1.415 1304 G CA -0.429 44.374 45.100 -0.494 0.000 0.871 1304 G HN 1.145 nan 8.290 nan 0.000 0.543 1305 H N -1.436 117.517 119.070 -0.195 0.000 3.094 1305 H HA 0.532 5.088 4.556 0.000 0.000 0.335 1305 H C 1.096 176.469 175.328 0.075 0.000 1.254 1305 H CA 0.076 56.155 56.048 0.052 0.000 1.240 1305 H CB 0.798 30.723 29.762 0.271 0.000 1.936 1305 H HN 0.743 nan 8.280 nan 0.000 0.536 1306 R N 2.403 122.867 120.500 -0.061 0.000 2.317 1306 R HA 0.175 4.515 4.340 0.000 0.000 0.208 1306 R C -0.259 176.085 176.300 0.073 0.000 0.914 1306 R CA 0.839 56.946 56.100 0.011 0.000 1.060 1306 R CB 0.268 30.520 30.300 -0.080 0.000 1.015 1306 R HN 0.242 nan 8.270 nan 0.000 0.498 1307 V N -0.345 119.721 119.914 0.252 0.000 2.690 1307 V HA 0.133 4.253 4.120 0.000 0.000 0.240 1307 V C 0.118 176.074 176.094 -0.231 0.000 1.078 1307 V CA 0.389 62.627 62.300 -0.104 0.000 1.102 1307 V CB -0.170 31.413 31.823 -0.400 0.000 0.800 1307 V HN 0.095 nan 8.190 nan 0.000 0.479 1308 Y N 0.970 121.339 120.300 0.114 0.000 2.308 1308 Y HA 0.327 4.877 4.550 0.000 0.000 0.329 1308 Y C 1.272 177.225 175.900 0.088 0.000 1.111 1308 Y CA -0.492 57.599 58.100 -0.015 0.000 1.179 1308 Y CB 0.954 39.335 38.460 -0.132 0.000 1.201 1308 Y HN -0.059 nan 8.280 nan 0.000 0.483 1309 K N 1.455 121.945 120.400 0.149 0.000 2.029 1309 K HA -0.084 4.236 4.320 0.000 0.000 0.205 1309 K C 0.926 177.595 176.600 0.114 0.000 1.042 1309 K CA 1.275 57.641 56.287 0.132 0.000 0.949 1309 K CB 0.120 32.663 32.500 0.073 0.000 0.740 1309 K HN 0.687 nan 8.250 nan 0.000 0.442 1310 N N -0.780 117.909 118.700 -0.017 0.000 2.368 1310 N HA 0.015 4.755 4.740 0.000 0.000 0.178 1310 N C 0.091 175.361 175.510 -0.400 0.000 1.021 1310 N CA 0.777 53.798 53.050 -0.047 0.000 0.875 1310 N CB 0.385 38.957 38.487 0.142 0.000 1.020 1310 N HN 0.238 nan 8.380 nan 0.000 0.433 1311 Y N -1.542 118.385 120.300 -0.622 0.000 2.764 1311 Y HA 0.524 5.074 4.550 0.000 0.000 0.331 1311 Y C -1.742 173.845 175.900 -0.521 0.000 1.280 1311 Y CA -1.554 56.034 58.100 -0.854 0.000 1.065 1311 Y CB 0.525 38.722 38.460 -0.437 0.000 1.319 1311 Y HN -0.323 nan 8.280 nan 0.000 0.453 1312 D N 2.665 122.870 120.400 -0.325 0.000 2.392 1312 D HA 0.354 4.994 4.640 0.000 0.000 0.228 1312 D C -1.900 174.196 176.300 -0.341 0.000 1.074 1312 D CA -2.661 51.032 54.000 -0.512 0.000 0.838 1312 D CB 1.956 42.735 40.800 -0.035 0.000 1.067 1312 D HN 0.415 nan 8.370 nan 0.000 0.511 1313 P HA -0.097 nan 4.420 nan 0.000 0.225 1313 P C 0.916 178.151 177.300 -0.108 0.000 1.148 1313 P CA 0.602 63.602 63.100 -0.166 0.000 0.779 1313 P CB 0.511 32.067 31.700 -0.239 0.000 0.780 1314 R N -0.163 120.235 120.500 -0.170 0.000 2.193 1314 R HA 0.140 4.481 4.340 0.000 0.000 0.213 1314 R C 2.394 178.667 176.300 -0.044 0.000 1.055 1314 R CA 0.937 56.973 56.100 -0.107 0.000 0.995 1314 R CB -0.601 29.594 30.300 -0.174 0.000 0.893 1314 R HN 0.127 nan 8.270 nan 0.000 0.459 1315 A N 0.604 123.428 122.820 0.007 0.000 2.066 1315 A HA -0.081 4.239 4.320 0.000 0.000 0.218 1315 A C 1.899 179.427 177.584 -0.094 0.000 1.157 1315 A CA 1.334 53.415 52.037 0.074 0.000 0.670 1315 A CB -0.488 18.678 19.000 0.277 0.000 0.804 1315 A HN 0.187 nan 8.150 nan 0.000 0.453 1316 T N 0.038 114.552 114.554 -0.066 0.000 2.555 1316 T HA -0.186 4.164 4.350 0.000 0.000 0.264 1316 T C 1.849 176.478 174.700 -0.118 0.000 1.083 1316 T CA 2.038 64.075 62.100 -0.104 0.000 1.179 1316 T CB -0.654 68.176 68.868 -0.063 0.000 0.863 1316 T HN 0.151 nan 8.240 nan 0.000 0.412 1317 V N 1.019 120.892 119.914 -0.068 0.000 2.490 1317 V HA -0.155 3.965 4.120 0.000 0.000 0.250 1317 V C 2.437 178.501 176.094 -0.051 0.000 1.061 1317 V CA 1.678 63.950 62.300 -0.047 0.000 1.064 1317 V CB -0.635 31.179 31.823 -0.014 0.000 0.670 1317 V HN 0.358 nan 8.190 nan 0.000 0.461 1318 M N -0.083 119.485 119.600 -0.055 0.000 2.132 1318 M HA -0.126 4.354 4.480 0.000 0.000 0.263 1318 M C 2.237 178.470 176.300 -0.111 0.000 1.065 1318 M CA 1.785 57.074 55.300 -0.017 0.000 1.122 1318 M CB -0.489 32.157 32.600 0.075 0.000 1.365 1318 M HN 0.137 nan 8.290 nan 0.000 0.411 1319 R N -0.293 119.972 120.500 -0.392 0.000 2.115 1319 R HA -0.138 4.202 4.340 0.000 0.000 0.230 1319 R C 1.789 177.968 176.300 -0.201 0.000 1.111 1319 R CA 1.691 57.430 56.100 -0.603 0.000 0.976 1319 R CB -0.137 29.578 30.300 -0.975 0.000 0.870 1319 R HN 0.520 nan 8.270 nan 0.000 0.445 1320 E N -0.824 119.299 120.200 -0.127 0.000 2.072 1320 E HA -0.117 4.234 4.350 0.000 0.000 0.191 1320 E C 1.769 178.391 176.600 0.037 0.000 0.985 1320 E CA 1.761 58.145 56.400 -0.026 0.000 0.801 1320 E CB 0.007 29.691 29.700 -0.027 0.000 0.750 1320 E HN 0.323 nan 8.360 nan 0.000 0.452 1321 T N 0.682 115.242 114.554 0.010 0.000 2.867 1321 T HA -0.181 4.169 4.350 0.000 0.000 0.268 1321 T C 2.043 176.757 174.700 0.024 0.000 1.057 1321 T CA 0.798 62.910 62.100 0.021 0.000 1.136 1321 T CB -0.503 68.378 68.868 0.022 0.000 0.874 1321 T HN 0.287 nan 8.240 nan 0.000 0.466 1322 C N 1.324 120.647 119.300 0.039 0.000 2.413 1322 C HA -0.172 4.288 4.460 0.000 0.000 0.277 1322 C C 2.671 177.697 174.990 0.060 0.000 1.228 1322 C CA 1.508 60.560 59.018 0.057 0.000 1.731 1322 C CB -1.184 26.623 27.740 0.113 0.000 2.042 1322 C HN 0.770 nan 8.230 nan 0.000 0.468 1323 H N 0.944 120.016 119.070 0.003 0.000 2.289 1323 H HA -0.146 4.411 4.556 0.000 0.000 0.296 1323 H C 1.988 177.315 175.328 -0.000 0.000 1.091 1323 H CA 2.591 58.641 56.048 0.004 0.000 1.274 1323 H CB -0.620 29.138 29.762 -0.006 0.000 1.364 1323 H HN 0.632 nan 8.280 nan 0.000 0.490 1324 E N -0.331 119.724 120.200 -0.243 0.000 2.097 1324 E HA -0.170 4.181 4.350 0.000 0.000 0.196 1324 E C 2.472 178.958 176.600 -0.190 0.000 1.000 1324 E CA 1.498 57.735 56.400 -0.271 0.000 0.804 1324 E CB -0.093 29.557 29.700 -0.084 0.000 0.740 1324 E HN 0.333 nan 8.360 nan 0.000 0.454 1325 V N 0.837 120.688 119.914 -0.105 0.000 2.283 1325 V HA -0.212 3.908 4.120 0.000 0.000 0.243 1325 V C 2.136 178.183 176.094 -0.078 0.000 1.039 1325 V CA 1.265 63.523 62.300 -0.070 0.000 1.016 1325 V CB -0.289 31.515 31.823 -0.032 0.000 0.650 1325 V HN 0.176 nan 8.190 nan 0.000 0.449 1326 L N 0.053 121.234 121.223 -0.069 0.000 2.141 1326 L HA -0.126 4.214 4.340 0.000 0.000 0.209 1326 L C 2.295 179.119 176.870 -0.076 0.000 1.094 1326 L CA 1.764 56.575 54.840 -0.049 0.000 0.763 1326 L CB -0.988 41.068 42.059 -0.005 0.000 0.908 1326 L HN 0.330 nan 8.230 nan 0.000 0.437 1327 K N -0.053 120.252 120.400 -0.159 0.000 1.965 1327 K HA -0.261 4.059 4.320 0.000 0.000 0.214 1327 K C 2.125 178.655 176.600 -0.118 0.000 1.046 1327 K CA 1.653 57.833 56.287 -0.178 0.000 0.944 1327 K CB -0.125 32.133 32.500 -0.403 0.000 0.726 1327 K HN 0.126 nan 8.250 nan 0.000 0.441 1328 E N 1.029 121.151 120.200 -0.129 0.000 2.086 1328 E HA -0.223 4.127 4.350 0.000 0.000 0.200 1328 E C 1.983 178.542 176.600 -0.068 0.000 1.012 1328 E CA 1.853 58.200 56.400 -0.088 0.000 0.812 1328 E CB -0.399 29.252 29.700 -0.081 0.000 0.743 1328 E HN 0.418 nan 8.360 nan 0.000 0.453 1329 L N -1.307 119.876 121.223 -0.066 0.000 1.961 1329 L HA -0.054 4.286 4.340 0.000 0.000 0.210 1329 L C 2.319 179.161 176.870 -0.047 0.000 1.072 1329 L CA 1.295 56.101 54.840 -0.057 0.000 0.749 1329 L CB -0.937 41.090 42.059 -0.054 0.000 0.889 1329 L HN 0.581 nan 8.230 nan 0.000 0.432 1330 G N -0.850 107.926 108.800 -0.040 0.000 4.754 1330 G HA2 -0.414 3.546 3.960 0.000 0.000 0.222 1330 G HA3 -0.414 3.546 3.960 0.000 0.000 0.222 1330 G C 1.124 176.009 174.900 -0.024 0.000 1.377 1330 G CA 0.788 45.871 45.100 -0.028 0.000 0.942 1330 G HN 0.258 nan 8.290 nan 0.000 0.671 1331 T N 1.008 115.544 114.554 -0.030 0.000 2.833 1331 T HA 0.032 4.382 4.350 0.000 0.000 0.269 1331 T C 1.568 176.252 174.700 -0.026 0.000 1.054 1331 T CA 2.019 64.103 62.100 -0.027 0.000 1.135 1331 T CB -0.141 68.707 68.868 -0.034 0.000 0.869 1331 T HN 0.427 nan 8.240 nan 0.000 0.466 1332 K N 1.374 121.755 120.400 -0.032 0.000 2.832 1332 K HA 0.183 4.503 4.320 0.000 0.000 0.211 1332 K C 0.338 176.926 176.600 -0.020 0.000 1.112 1332 K CA -0.132 56.138 56.287 -0.028 0.000 1.108 1332 K CB 0.422 32.896 32.500 -0.043 0.000 0.899 1332 K HN 0.433 nan 8.250 nan 0.000 0.464 1333 D N -1.729 118.663 120.400 -0.014 0.000 3.081 1333 D HA -0.008 4.632 4.640 0.000 0.000 0.243 1333 D C 0.718 177.022 176.300 0.007 0.000 1.388 1333 D CA 0.004 54.002 54.000 -0.005 0.000 1.245 1333 D CB -0.348 40.447 40.800 -0.009 0.000 1.319 1333 D HN -0.150 nan 8.370 nan 0.000 0.377 1334 D N 1.947 122.351 120.400 0.006 0.000 2.154 1334 D HA -0.149 4.491 4.640 0.000 0.000 0.190 1334 D C 2.167 178.475 176.300 0.014 0.000 1.003 1334 D CA 1.866 55.873 54.000 0.013 0.000 0.849 1334 D CB -0.435 40.370 40.800 0.008 0.000 0.942 1334 D HN 0.402 nan 8.370 nan 0.000 0.446 1335 L N -1.279 119.950 121.223 0.009 0.000 2.622 1335 L HA 0.162 4.502 4.340 0.000 0.000 0.233 1335 L C 1.208 178.087 176.870 0.015 0.000 1.156 1335 L CA 0.347 55.193 54.840 0.010 0.000 0.866 1335 L CB -0.249 41.814 42.059 0.006 0.000 0.980 1335 L HN -0.017 nan 8.230 nan 0.000 0.448 1336 L N 0.047 121.280 121.223 0.017 0.000 3.017 1336 L HA 0.362 4.702 4.340 0.000 0.000 0.255 1336 L C 0.779 177.668 176.870 0.032 0.000 1.247 1336 L CA 0.386 55.240 54.840 0.022 0.000 1.038 1336 L CB -0.148 41.919 42.059 0.015 0.000 1.380 1336 L HN 0.033 nan 8.230 nan 0.000 0.548 1337 E N 0.123 120.344 120.200 0.036 0.000 2.304 1337 E HA 0.079 4.429 4.350 0.000 0.000 0.212 1337 E C 1.529 178.163 176.600 0.058 0.000 1.185 1337 E CA 0.391 56.820 56.400 0.049 0.000 1.326 1337 E CB 0.156 29.882 29.700 0.044 0.000 1.283 1337 E HN 0.436 nan 8.360 nan 0.000 0.440 1338 V N -3.288 116.663 119.914 0.063 0.000 3.647 1338 V HA 0.323 4.443 4.120 0.000 0.000 0.279 1338 V C 1.725 177.892 176.094 0.121 0.000 1.314 1338 V CA 0.726 63.068 62.300 0.071 0.000 1.125 1338 V CB 0.349 32.208 31.823 0.059 0.000 0.907 1338 V HN 0.143 nan 8.190 nan 0.000 0.434 1339 A N 0.996 123.897 122.820 0.135 0.000 1.854 1339 A HA 0.018 4.338 4.320 0.000 0.000 0.214 1339 A C 2.180 179.933 177.584 0.282 0.000 1.192 1339 A CA 2.023 54.198 52.037 0.230 0.000 0.611 1339 A CB -0.497 18.567 19.000 0.107 0.000 0.832 1339 A HN 0.484 nan 8.150 nan 0.000 0.442 1340 M N -0.944 118.767 119.600 0.185 0.000 2.202 1340 M HA -0.185 4.295 4.480 0.000 0.000 0.262 1340 M C 2.069 178.437 176.300 0.114 0.000 1.063 1340 M CA 1.911 57.306 55.300 0.158 0.000 1.097 1340 M CB -0.289 32.377 32.600 0.110 0.000 1.382 1340 M HN 0.489 nan 8.290 nan 0.000 0.413 1341 E N 0.876 121.130 120.200 0.090 0.000 2.158 1341 E HA -0.047 4.303 4.350 0.000 0.000 0.191 1341 E C 1.775 178.383 176.600 0.013 0.000 0.982 1341 E CA 1.016 57.439 56.400 0.037 0.000 0.823 1341 E CB -0.202 29.511 29.700 0.022 0.000 0.766 1341 E HN 0.472 nan 8.360 nan 0.000 0.468 1342 L N 0.372 121.648 121.223 0.087 0.000 2.056 1342 L HA -0.087 4.253 4.340 0.000 0.000 0.207 1342 L C 2.625 179.480 176.870 -0.025 0.000 1.078 1342 L CA 1.593 56.473 54.840 0.067 0.000 0.749 1342 L CB -0.396 41.857 42.059 0.324 0.000 0.901 1342 L HN 0.258 nan 8.230 nan 0.000 0.433 1343 E N 0.561 120.806 120.200 0.076 0.000 2.072 1343 E HA -0.276 4.075 4.350 0.000 0.000 0.191 1343 E C 1.903 178.490 176.600 -0.023 0.000 0.985 1343 E CA 1.526 57.934 56.400 0.013 0.000 0.801 1343 E CB 0.026 29.838 29.700 0.185 0.000 0.750 1343 E HN 0.379 nan 8.360 nan 0.000 0.452 1344 N N 0.532 119.226 118.700 -0.010 0.000 2.120 1344 N HA -0.150 4.590 4.740 0.000 0.000 0.188 1344 N C 1.850 177.288 175.510 -0.119 0.000 1.024 1344 N CA 1.438 54.468 53.050 -0.034 0.000 0.852 1344 N CB -0.159 38.320 38.487 -0.014 0.000 1.003 1344 N HN 0.216 nan 8.380 nan 0.000 0.424 1345 I N 0.068 120.508 120.570 -0.216 0.000 2.208 1345 I HA -0.253 3.917 4.170 0.000 0.000 0.245 1345 I C 2.230 178.000 176.117 -0.578 0.000 1.097 1345 I CA 1.151 62.222 61.300 -0.381 0.000 1.363 1345 I CB -0.445 37.245 38.000 -0.517 0.000 1.051 1345 I HN 0.252 nan 8.210 nan 0.000 0.413 1346 A N 0.696 123.136 122.820 -0.634 0.000 1.930 1346 A HA -0.090 4.230 4.320 0.000 0.000 0.217 1346 A C 2.174 179.710 177.584 -0.080 0.000 1.175 1346 A CA 1.150 52.879 52.037 -0.513 0.000 0.627 1346 A CB -0.626 18.226 19.000 -0.247 0.000 0.815 1346 A HN 0.420 nan 8.150 nan 0.000 0.443 1347 L N -0.752 120.444 121.223 -0.045 0.000 2.599 1347 L HA 0.043 4.383 4.340 0.000 0.000 0.230 1347 L C 0.986 177.870 176.870 0.024 0.000 1.141 1347 L CA 0.427 55.287 54.840 0.032 0.000 0.877 1347 L CB -0.252 41.832 42.059 0.041 0.000 1.009 1347 L HN 0.428 nan 8.230 nan 0.000 0.447 1348 N N -2.338 116.357 118.700 -0.009 0.000 2.028 1348 N HA -0.007 4.733 4.740 0.000 0.000 0.230 1348 N C 0.105 175.629 175.510 0.024 0.000 1.354 1348 N CA -0.038 53.018 53.050 0.010 0.000 0.855 1348 N CB 0.898 39.384 38.487 -0.002 0.000 1.111 1348 N HN 0.100 nan 8.380 nan 0.000 0.480 1349 D N 3.125 123.531 120.400 0.010 0.000 2.417 1349 D HA 0.075 4.715 4.640 0.000 0.000 0.250 1349 D C -1.564 174.835 176.300 0.165 0.000 1.166 1349 D CA -1.342 52.706 54.000 0.080 0.000 0.881 1349 D CB 2.046 42.901 40.800 0.090 0.000 1.164 1349 D HN -0.028 nan 8.370 nan 0.000 0.467 1350 P HA -0.188 nan 4.420 nan 0.000 0.216 1350 P C 1.073 178.450 177.300 0.129 0.000 1.150 1350 P CA 1.021 64.186 63.100 0.108 0.000 0.843 1350 P CB -0.048 31.700 31.700 0.081 0.000 0.787 1351 Y N -1.097 119.221 120.300 0.030 0.000 2.200 1351 Y HA -0.145 4.405 4.550 0.000 0.000 0.290 1351 Y C 1.957 177.760 175.900 -0.162 0.000 1.137 1351 Y CA 1.434 59.489 58.100 -0.075 0.000 1.163 1351 Y CB -0.893 37.512 38.460 -0.092 0.000 0.988 1351 Y HN -0.167 nan 8.280 nan 0.000 0.518 1352 F N -0.379 119.651 119.950 0.133 0.000 2.259 1352 F HA -0.095 4.432 4.527 0.000 0.000 0.298 1352 F C 2.162 177.957 175.800 -0.008 0.000 1.088 1352 F CA 1.209 59.217 58.000 0.014 0.000 1.358 1352 F CB -0.432 38.520 39.000 -0.079 0.000 1.040 1352 F HN -0.008 nan 8.300 nan 0.000 0.505 1353 I N -0.725 119.953 120.570 0.179 0.000 2.500 1353 I HA -0.162 4.008 4.170 0.000 0.000 0.252 1353 I C 2.422 178.565 176.117 0.043 0.000 1.142 1353 I CA 0.920 62.289 61.300 0.116 0.000 1.451 1353 I CB -0.368 37.689 38.000 0.096 0.000 1.093 1353 I HN 0.083 nan 8.210 nan 0.000 0.430 1354 E N 1.443 121.632 120.200 -0.019 0.000 2.204 1354 E HA -0.181 4.169 4.350 0.000 0.000 0.194 1354 E C 1.314 177.823 176.600 -0.151 0.000 0.989 1354 E CA 1.086 57.429 56.400 -0.095 0.000 0.824 1354 E CB 0.274 29.880 29.700 -0.156 0.000 0.756 1354 E HN 0.226 nan 8.360 nan 0.000 0.477 1355 K N 0.236 120.513 120.400 -0.205 0.000 2.373 1355 K HA 0.094 4.414 4.320 0.000 0.000 0.202 1355 K C -0.096 176.448 176.600 -0.093 0.000 1.025 1355 K CA -0.071 56.078 56.287 -0.230 0.000 1.115 1355 K CB 0.527 32.760 32.500 -0.446 0.000 0.858 1355 K HN -0.107 nan 8.250 nan 0.000 0.525 1356 K N 0.348 120.755 120.400 0.012 0.000 3.016 1356 K HA -0.206 4.114 4.320 0.000 0.000 0.262 1356 K C -0.464 176.185 176.600 0.083 0.000 1.043 1356 K CA 0.549 56.926 56.287 0.149 0.000 0.761 1356 K CB -2.281 30.332 32.500 0.189 0.000 1.230 1356 K HN 0.273 nan 8.250 nan 0.000 0.485 1357 L N 2.092 123.333 121.223 0.030 0.000 2.821 1357 L HA 0.054 4.394 4.340 0.000 0.000 0.239 1357 L C 0.826 177.835 176.870 0.232 0.000 1.391 1357 L CA -0.675 54.180 54.840 0.025 0.000 1.231 1357 L CB -0.868 41.120 42.059 -0.118 0.000 1.598 1357 L HN 0.124 nan 8.230 nan 0.000 0.428 1358 Y N -0.863 119.619 120.300 0.303 0.000 2.357 1358 Y HA 0.424 4.974 4.550 0.000 0.000 0.340 1358 Y C -2.414 173.680 175.900 0.324 0.000 1.260 1358 Y CA -3.862 54.415 58.100 0.295 0.000 1.425 1358 Y CB -0.825 37.770 38.460 0.225 0.000 1.326 1358 Y HN 0.061 nan 8.280 nan 0.000 0.580 1359 P HA 0.116 nan 4.420 nan 0.000 0.271 1359 P C -1.129 176.327 177.300 0.260 0.000 1.226 1359 P CA -0.064 63.036 63.100 -0.001 0.000 0.765 1359 P CB 0.549 32.127 31.700 -0.203 0.000 0.835 1360 N N 1.502 120.270 118.700 0.113 0.000 2.518 1360 N HA 0.156 4.896 4.740 0.000 0.000 0.284 1360 N C 0.866 176.515 175.510 0.232 0.000 1.230 1360 N CA -0.910 52.300 53.050 0.266 0.000 0.941 1360 N CB -0.126 38.513 38.487 0.252 0.000 1.219 1360 N HN 0.027 nan 8.380 nan 0.000 0.560 1361 V N -0.011 120.029 119.914 0.210 0.000 2.370 1361 V HA -0.276 3.844 4.120 0.000 0.000 0.252 1361 V C 0.861 177.030 176.094 0.126 0.000 1.068 1361 V CA 2.313 64.725 62.300 0.186 0.000 1.061 1361 V CB -0.823 30.982 31.823 -0.031 0.000 0.656 1361 V HN 0.664 nan 8.190 nan 0.000 0.455 1362 D N -1.034 119.387 120.400 0.034 0.000 2.310 1362 D HA -0.140 4.500 4.640 0.000 0.000 0.212 1362 D C 1.713 178.025 176.300 0.020 0.000 0.965 1362 D CA 1.232 55.229 54.000 -0.004 0.000 0.879 1362 D CB -0.176 40.586 40.800 -0.063 0.000 0.921 1362 D HN 0.628 nan 8.370 nan 0.000 0.510 1363 F N 0.489 120.307 119.950 -0.221 0.000 2.098 1363 F HA -0.150 4.377 4.527 0.000 0.000 0.294 1363 F C 1.917 177.526 175.800 -0.317 0.000 1.107 1363 F CA 1.195 58.952 58.000 -0.405 0.000 1.234 1363 F CB -0.613 37.916 39.000 -0.785 0.000 1.002 1363 F HN -0.105 nan 8.300 nan 0.000 0.472 1364 Y N -0.072 120.189 120.300 -0.064 0.000 2.352 1364 Y HA -0.149 4.401 4.550 0.000 0.000 0.292 1364 Y C 2.705 178.530 175.900 -0.125 0.000 1.136 1364 Y CA 1.161 59.182 58.100 -0.132 0.000 1.227 1364 Y CB -0.832 37.645 38.460 0.029 0.000 0.991 1364 Y HN 0.025 nan 8.280 nan 0.000 0.545 1365 S N -0.208 115.530 115.700 0.063 0.000 2.368 1365 S HA -0.132 4.338 4.470 0.000 0.000 0.224 1365 S C 2.402 176.912 174.600 -0.150 0.000 1.029 1365 S CA 1.099 59.335 58.200 0.060 0.000 0.988 1365 S CB -0.845 62.492 63.200 0.228 0.000 0.838 1365 S HN 0.656 nan 8.310 nan 0.000 0.462 1366 G N 1.802 110.452 108.800 -0.249 0.000 2.418 1366 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 1366 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 1366 G C 1.334 176.031 174.900 -0.338 0.000 1.158 1366 G CA 0.658 45.455 45.100 -0.505 0.000 0.771 1366 G HN 0.477 nan 8.290 nan 0.000 0.545 1367 I N 0.569 120.958 120.570 -0.301 0.000 2.163 1367 I HA -0.171 4.000 4.170 0.000 0.000 0.243 1367 I C 2.679 178.725 176.117 -0.118 0.000 1.085 1367 I CA 0.913 62.083 61.300 -0.217 0.000 1.347 1367 I CB -0.252 37.582 38.000 -0.277 0.000 1.044 1367 I HN 0.138 nan 8.210 nan 0.000 0.408 1368 I N 0.550 121.059 120.570 -0.100 0.000 2.208 1368 I HA -0.315 3.855 4.170 0.000 0.000 0.245 1368 I C 2.476 178.554 176.117 -0.066 0.000 1.097 1368 I CA 1.582 62.849 61.300 -0.055 0.000 1.363 1368 I CB -0.310 37.676 38.000 -0.022 0.000 1.051 1368 I HN 0.227 nan 8.210 nan 0.000 0.413 1369 L N 0.278 121.410 121.223 -0.151 0.000 2.056 1369 L HA -0.198 4.142 4.340 0.000 0.000 0.207 1369 L C 2.496 179.391 176.870 0.042 0.000 1.078 1369 L CA 1.468 56.229 54.840 -0.132 0.000 0.749 1369 L CB -0.596 41.157 42.059 -0.510 0.000 0.901 1369 L HN 0.159 nan 8.230 nan 0.000 0.433 1370 K N 0.107 120.546 120.400 0.065 0.000 2.209 1370 K HA -0.103 4.217 4.320 0.000 0.000 0.204 1370 K C 2.188 178.823 176.600 0.058 0.000 1.048 1370 K CA 1.168 57.548 56.287 0.155 0.000 0.940 1370 K CB -0.156 32.434 32.500 0.150 0.000 0.729 1370 K HN 0.288 nan 8.250 nan 0.000 0.451 1371 A N 1.021 123.847 122.820 0.010 0.000 1.929 1371 A HA -0.074 4.246 4.320 0.000 0.000 0.216 1371 A C 1.959 179.524 177.584 -0.032 0.000 1.176 1371 A CA 1.076 53.105 52.037 -0.014 0.000 0.628 1371 A CB -0.302 18.683 19.000 -0.025 0.000 0.816 1371 A HN 0.167 nan 8.150 nan 0.000 0.444 1372 M N -1.061 118.527 119.600 -0.021 0.000 2.630 1372 M HA 0.120 4.600 4.480 0.000 0.000 0.254 1372 M C 1.320 177.539 176.300 -0.135 0.000 1.092 1372 M CA 0.900 56.165 55.300 -0.057 0.000 1.087 1372 M CB 0.072 32.692 32.600 0.033 0.000 1.453 1372 M HN 0.642 nan 8.290 nan 0.000 0.509 1373 G N 1.474 110.254 108.800 -0.034 0.000 2.141 1373 G HA2 -0.213 3.747 3.960 0.000 0.000 0.231 1373 G HA3 -0.213 3.747 3.960 0.000 0.000 0.231 1373 G C 0.022 175.016 174.900 0.156 0.000 0.984 1373 G CA -0.502 44.590 45.100 -0.013 0.000 0.660 1373 G HN 0.445 nan 8.290 nan 0.000 0.525 1374 I N 2.983 123.670 120.570 0.195 0.000 2.395 1374 I HA 0.306 4.476 4.170 0.000 0.000 0.289 1374 I C -1.383 174.835 176.117 0.168 0.000 1.023 1374 I CA -2.226 59.167 61.300 0.155 0.000 1.350 1374 I CB 1.305 39.404 38.000 0.164 0.000 1.409 1374 I HN -0.047 nan 8.210 nan 0.000 0.507 1375 P HA 0.078 nan 4.420 nan 0.000 0.278 1375 P C 0.513 177.474 177.300 -0.565 0.000 1.238 1375 P CA -0.399 62.616 63.100 -0.140 0.000 0.794 1375 P CB 1.183 32.851 31.700 -0.053 0.000 0.955 1376 S N 0.908 116.044 115.700 -0.941 0.000 2.465 1376 S HA -0.164 4.306 4.470 0.000 0.000 0.241 1376 S C 1.627 175.724 174.600 -0.838 0.000 1.000 1376 S CA 1.374 58.545 58.200 -1.715 0.000 0.964 1376 S CB -1.439 61.222 63.200 -0.897 0.000 0.763 1376 S HN 0.613 nan 8.310 nan 0.000 0.512 1377 S N 0.033 115.453 115.700 -0.467 0.000 2.603 1377 S HA 0.232 4.702 4.470 0.000 0.000 0.229 1377 S C 1.363 175.848 174.600 -0.191 0.000 0.972 1377 S CA 0.160 58.165 58.200 -0.324 0.000 0.935 1377 S CB -0.288 62.652 63.200 -0.435 0.000 0.769 1377 S HN 0.396 nan 8.310 nan 0.000 0.536 1378 M N -0.332 119.149 119.600 -0.198 0.000 2.338 1378 M HA 0.400 4.880 4.480 0.000 0.000 0.276 1378 M C 1.108 177.388 176.300 -0.033 0.000 1.057 1378 M CA -0.132 55.118 55.300 -0.083 0.000 1.079 1378 M CB -0.835 31.714 32.600 -0.085 0.000 1.547 1378 M HN 0.357 nan 8.290 nan 0.000 0.549 1379 F N 1.173 120.957 119.950 -0.278 0.000 2.043 1379 F HA -0.297 4.231 4.527 0.000 0.000 0.297 1379 F C 2.156 177.432 175.800 -0.872 0.000 1.118 1379 F CA 1.341 58.987 58.000 -0.590 0.000 1.202 1379 F CB -0.759 38.060 39.000 -0.300 0.000 0.965 1379 F HN 0.132 nan 8.300 nan 0.000 0.482 1380 T N -0.238 114.261 114.554 -0.092 0.000 2.962 1380 T HA -0.083 4.267 4.350 0.000 0.000 0.270 1380 T C 1.879 176.551 174.700 -0.046 0.000 1.088 1380 T CA 0.600 62.737 62.100 0.062 0.000 1.127 1380 T CB -0.304 68.694 68.868 0.216 0.000 0.883 1380 T HN 0.036 nan 8.240 nan 0.000 0.493 1381 V N 1.178 121.014 119.914 -0.130 0.000 2.379 1381 V HA -0.061 4.059 4.120 0.000 0.000 0.245 1381 V C 2.298 178.295 176.094 -0.161 0.000 1.044 1381 V CA 1.251 63.480 62.300 -0.117 0.000 1.036 1381 V CB -0.444 31.317 31.823 -0.102 0.000 0.664 1381 V HN 0.500 nan 8.190 nan 0.000 0.453 1382 I N -0.910 119.492 120.570 -0.281 0.000 2.286 1382 I HA -0.172 3.998 4.170 0.000 0.000 0.245 1382 I C 2.315 178.237 176.117 -0.324 0.000 1.104 1382 I CA 1.434 62.510 61.300 -0.375 0.000 1.397 1382 I CB -0.383 37.358 38.000 -0.431 0.000 1.072 1382 I HN 0.216 nan 8.210 nan 0.000 0.417 1383 F N 1.224 121.037 119.950 -0.228 0.000 2.171 1383 F HA -0.153 4.374 4.527 0.000 0.000 0.300 1383 F C 2.630 178.318 175.800 -0.186 0.000 1.090 1383 F CA 0.958 58.788 58.000 -0.285 0.000 1.293 1383 F CB -1.408 37.491 39.000 -0.168 0.000 1.013 1383 F HN 0.009 nan 8.300 nan 0.000 0.486 1384 A N -0.088 122.764 122.820 0.054 0.000 1.898 1384 A HA -0.179 4.141 4.320 0.000 0.000 0.216 1384 A C 2.326 179.809 177.584 -0.169 0.000 1.181 1384 A CA 1.447 53.472 52.037 -0.020 0.000 0.620 1384 A CB -0.844 18.276 19.000 0.200 0.000 0.819 1384 A HN 0.396 nan 8.150 nan 0.000 0.442 1385 M N -0.134 119.387 119.600 -0.132 0.000 2.108 1385 M HA -0.192 4.288 4.480 0.000 0.000 0.261 1385 M C 2.184 178.386 176.300 -0.163 0.000 1.066 1385 M CA 2.009 57.219 55.300 -0.151 0.000 1.107 1385 M CB -0.247 32.194 32.600 -0.265 0.000 1.356 1385 M HN 0.397 nan 8.290 nan 0.000 0.406 1386 A N 0.250 122.942 122.820 -0.214 0.000 1.872 1386 A HA -0.163 4.157 4.320 0.000 0.000 0.214 1386 A C 2.050 179.576 177.584 -0.097 0.000 1.187 1386 A CA 1.728 53.657 52.037 -0.180 0.000 0.614 1386 A CB -0.658 18.238 19.000 -0.173 0.000 0.826 1386 A HN 0.558 nan 8.150 nan 0.000 0.442 1387 R N 0.151 120.478 120.500 -0.288 0.000 2.241 1387 R HA -0.054 4.286 4.340 0.000 0.000 0.224 1387 R C 1.794 177.590 176.300 -0.840 0.000 1.101 1387 R CA 1.901 57.657 56.100 -0.573 0.000 0.995 1387 R CB -1.415 28.396 30.300 -0.815 0.000 0.870 1387 R HN 0.472 nan 8.270 nan 0.000 0.463 1388 T N -0.539 113.658 114.554 -0.595 0.000 2.737 1388 T HA -0.174 4.177 4.350 0.000 0.000 0.269 1388 T C 1.693 176.374 174.700 -0.031 0.000 1.040 1388 T CA 1.527 63.499 62.100 -0.213 0.000 1.142 1388 T CB -0.415 68.477 68.868 0.039 0.000 0.861 1388 T HN 0.161 nan 8.240 nan 0.000 0.456 1389 V N 1.153 121.050 119.914 -0.028 0.000 2.490 1389 V HA -0.040 4.080 4.120 0.000 0.000 0.250 1389 V C 2.430 178.526 176.094 0.005 0.000 1.061 1389 V CA 2.208 64.499 62.300 -0.015 0.000 1.064 1389 V CB -0.957 30.814 31.823 -0.086 0.000 0.670 1389 V HN 0.567 nan 8.190 nan 0.000 0.461 1390 G N -1.148 107.636 108.800 -0.025 0.000 2.404 1390 G HA2 -0.209 3.751 3.960 0.000 0.000 0.214 1390 G HA3 -0.209 3.751 3.960 0.000 0.000 0.214 1390 G C 1.304 176.421 174.900 0.361 0.000 1.189 1390 G CA 0.812 45.981 45.100 0.115 0.000 0.789 1390 G HN 0.571 nan 8.290 nan 0.000 0.533 1391 W N 1.037 122.465 121.300 0.213 0.000 2.325 1391 W HA 0.013 4.673 4.660 0.000 0.000 0.299 1391 W C 2.489 179.140 176.519 0.220 0.000 1.215 1391 W CA 0.236 57.701 57.345 0.200 0.000 1.244 1391 W CB -1.055 28.468 29.460 0.104 0.000 1.140 1391 W HN 0.195 nan 8.180 nan 0.000 0.523 1392 I N 0.120 120.905 120.570 0.359 0.000 2.286 1392 I HA -0.272 3.898 4.170 0.000 0.000 0.248 1392 I C 2.546 178.826 176.117 0.272 0.000 1.115 1392 I CA 1.487 62.945 61.300 0.263 0.000 1.392 1392 I CB -0.886 37.182 38.000 0.112 0.000 1.065 1392 I HN -0.155 nan 8.210 nan 0.000 0.418 1393 A N 0.088 123.010 122.820 0.171 0.000 1.898 1393 A HA -0.201 4.119 4.320 0.000 0.000 0.216 1393 A C 2.210 179.807 177.584 0.022 0.000 1.181 1393 A CA 1.337 53.395 52.037 0.035 0.000 0.620 1393 A CB -0.829 18.120 19.000 -0.085 0.000 0.819 1393 A HN 0.407 nan 8.150 nan 0.000 0.442 1394 H N -2.908 116.287 119.070 0.208 0.000 2.357 1394 H HA -0.154 4.402 4.556 0.000 0.000 0.301 1394 H C 1.963 177.435 175.328 0.240 0.000 1.082 1394 H CA 1.630 57.800 56.048 0.204 0.000 1.342 1394 H CB -0.329 29.573 29.762 0.233 0.000 1.389 1394 H HN 0.801 nan 8.280 nan 0.000 0.511 1395 W N 2.314 123.753 121.300 0.232 0.000 2.358 1395 W HA -0.191 4.469 4.660 0.000 0.000 0.303 1395 W C 2.489 179.148 176.519 0.234 0.000 1.208 1395 W CA 1.835 59.302 57.345 0.204 0.000 1.274 1395 W CB -0.253 29.308 29.460 0.170 0.000 1.138 1395 W HN -0.065 nan 8.180 nan 0.000 0.515 1396 S N -0.036 115.775 115.700 0.185 0.000 2.368 1396 S HA -0.246 4.224 4.470 0.000 0.000 0.225 1396 S C 1.678 176.245 174.600 -0.056 0.000 1.030 1396 S CA 1.581 59.744 58.200 -0.062 0.000 0.999 1396 S CB -0.585 62.624 63.200 0.016 0.000 0.844 1396 S HN 0.436 nan 8.310 nan 0.000 0.459 1397 E N 0.914 121.109 120.200 -0.008 0.000 2.051 1397 E HA -0.162 4.188 4.350 0.000 0.000 0.192 1397 E C 2.172 178.757 176.600 -0.025 0.000 0.991 1397 E CA 0.989 57.376 56.400 -0.022 0.000 0.799 1397 E CB -0.173 29.513 29.700 -0.023 0.000 0.748 1397 E HN 0.315 nan 8.360 nan 0.000 0.449 1398 M N 0.661 120.253 119.600 -0.013 0.000 2.144 1398 M HA -0.221 4.259 4.480 0.000 0.000 0.260 1398 M C 1.789 177.989 176.300 -0.167 0.000 1.067 1398 M CA 1.787 57.046 55.300 -0.068 0.000 1.095 1398 M CB -0.785 31.784 32.600 -0.053 0.000 1.365 1398 M HN 0.277 nan 8.290 nan 0.000 0.406 1399 H N -0.069 118.829 119.070 -0.287 0.000 2.299 1399 H HA -0.079 4.477 4.556 0.000 0.000 0.302 1399 H C 2.255 177.465 175.328 -0.198 0.000 1.078 1399 H CA 2.307 58.160 56.048 -0.323 0.000 1.323 1399 H CB -0.362 29.090 29.762 -0.516 0.000 1.381 1399 H HN 0.587 nan 8.280 nan 0.000 0.498 1400 S N 0.821 116.502 115.700 -0.031 0.000 2.420 1400 S HA -0.152 4.318 4.470 0.000 0.000 0.237 1400 S C 1.382 175.956 174.600 -0.044 0.000 1.023 1400 S CA 1.687 59.862 58.200 -0.041 0.000 0.991 1400 S CB -0.156 63.019 63.200 -0.042 0.000 0.792 1400 S HN 0.275 nan 8.310 nan 0.000 0.488 1401 D N 1.584 121.952 120.400 -0.053 0.000 2.347 1401 D HA 0.248 4.888 4.640 0.000 0.000 0.215 1401 D C 1.290 177.555 176.300 -0.059 0.000 0.976 1401 D CA 1.059 55.029 54.000 -0.050 0.000 0.884 1401 D CB -0.187 40.584 40.800 -0.048 0.000 0.915 1401 D HN 0.693 nan 8.370 nan 0.000 0.526 1402 G N 0.779 109.533 108.800 -0.075 0.000 2.337 1402 G HA2 -0.247 3.713 3.960 0.000 0.000 0.134 1402 G HA3 -0.247 3.713 3.960 0.000 0.000 0.134 1402 G C 0.406 175.235 174.900 -0.118 0.000 1.052 1402 G CA -0.055 44.998 45.100 -0.077 0.000 0.737 1402 G HN 0.199 nan 8.290 nan 0.000 0.485 1403 M N -0.500 118.981 119.600 -0.199 0.000 2.175 1403 M HA -0.175 4.305 4.480 0.000 0.000 0.192 1403 M C 0.895 177.074 176.300 -0.202 0.000 0.473 1403 M CA 1.535 56.641 55.300 -0.324 0.000 0.414 1403 M CB -0.418 31.992 32.600 -0.317 0.000 1.069 1403 M HN 0.560 nan 8.290 nan 0.000 0.933 1404 K N 2.510 122.817 120.400 -0.156 0.000 2.036 1404 K HA 0.008 4.328 4.320 0.000 0.000 0.246 1404 K C -0.247 176.300 176.600 -0.088 0.000 1.189 1404 K CA 0.089 56.316 56.287 -0.100 0.000 1.255 1404 K CB -0.308 32.147 32.500 -0.075 0.000 0.909 1404 K HN 0.590 nan 8.250 nan 0.000 0.382 1405 I N 2.547 123.070 120.570 -0.078 0.000 2.813 1405 I HA -0.078 4.092 4.170 0.000 0.000 0.287 1405 I C 0.626 176.718 176.117 -0.042 0.000 1.196 1405 I CA 0.024 61.290 61.300 -0.057 0.000 1.421 1405 I CB 0.794 38.766 38.000 -0.046 0.000 1.365 1405 I HN 0.535 nan 8.210 nan 0.000 0.591 1406 A N 7.177 129.982 122.820 -0.026 0.000 2.644 1406 A HA 0.530 4.850 4.320 0.000 0.000 0.343 1406 A C 0.049 177.627 177.584 -0.010 0.000 1.324 1406 A CA -0.670 51.358 52.037 -0.015 0.000 0.846 1406 A CB -0.057 18.948 19.000 0.007 0.000 1.128 1406 A HN 0.791 nan 8.150 nan 0.000 0.484 1407 R N 2.383 122.869 120.500 -0.024 0.000 2.629 1407 R HA 0.322 4.662 4.340 0.000 0.000 0.277 1407 R C -2.659 173.618 176.300 -0.039 0.000 1.637 1407 R CA -1.087 55.001 56.100 -0.019 0.000 1.663 1407 R CB 0.539 30.829 30.300 -0.017 0.000 1.228 1407 R HN 0.447 nan 8.270 nan 0.000 0.632 1408 P HA 0.208 nan 4.420 nan 0.000 0.277 1408 P C -0.202 177.053 177.300 -0.075 0.000 1.276 1408 P CA -0.644 62.405 63.100 -0.085 0.000 0.788 1408 P CB 0.702 32.355 31.700 -0.078 0.000 1.114 1409 R N 0.228 120.651 120.500 -0.129 0.000 2.573 1409 R HA 0.382 4.722 4.340 0.000 0.000 0.272 1409 R C 0.238 176.547 176.300 0.014 0.000 1.009 1409 R CA -0.463 55.588 56.100 -0.082 0.000 1.059 1409 R CB 0.793 30.952 30.300 -0.235 0.000 1.112 1409 R HN 0.650 nan 8.270 nan 0.000 0.517 1410 Q N 0.016 119.874 119.800 0.095 0.000 2.445 1410 Q HA 0.617 4.957 4.340 0.000 0.000 0.281 1410 Q C -1.047 175.089 176.000 0.226 0.000 1.101 1410 Q CA -1.106 54.795 55.803 0.163 0.000 0.833 1410 Q CB 1.564 30.397 28.738 0.159 0.000 1.416 1410 Q HN 0.278 nan 8.270 nan 0.000 0.451 1411 L N 1.753 123.134 121.223 0.263 0.000 2.277 1411 L HA 0.373 4.713 4.340 0.000 0.000 0.284 1411 L C -1.654 175.317 176.870 0.169 0.000 1.028 1411 L CA -0.590 54.371 54.840 0.201 0.000 0.835 1411 L CB 0.697 42.819 42.059 0.105 0.000 1.215 1411 L HN 0.697 nan 8.230 nan 0.000 0.425 1412 Y N 3.894 124.232 120.300 0.063 0.000 2.480 1412 Y HA 0.340 4.890 4.550 0.000 0.000 0.341 1412 Y C 0.885 176.795 175.900 0.017 0.000 1.031 1412 Y CA 0.533 58.661 58.100 0.046 0.000 1.295 1412 Y CB 0.830 39.320 38.460 0.050 0.000 1.162 1412 Y HN 0.777 nan 8.280 nan 0.000 0.523 1413 T N 1.981 116.227 114.554 -0.514 0.000 3.296 1413 T HA 0.464 4.814 4.350 0.000 0.000 0.285 1413 T C 0.594 174.944 174.700 -0.582 0.000 1.014 1413 T CA -0.042 61.804 62.100 -0.424 0.000 0.920 1413 T CB -0.294 68.439 68.868 -0.225 0.000 1.143 1413 T HN 0.711 nan 8.240 nan 0.000 0.522 1414 G N 0.322 108.426 108.800 -1.161 0.000 2.641 1414 G HA2 0.513 4.473 3.960 0.000 0.000 0.239 1414 G HA3 0.513 4.473 3.960 0.000 0.000 0.239 1414 G C -1.048 173.678 174.900 -0.290 0.000 1.402 1414 G CA -1.114 43.572 45.100 -0.690 0.000 1.046 1414 G HN 0.352 nan 8.290 nan 0.000 0.565 1415 Y N 1.136 121.452 120.300 0.027 0.000 2.632 1415 Y HA 0.209 4.759 4.550 0.000 0.000 0.329 1415 Y C 1.004 177.048 175.900 0.241 0.000 1.174 1415 Y CA 0.241 58.416 58.100 0.126 0.000 1.469 1415 Y CB 0.413 38.945 38.460 0.119 0.000 1.242 1415 Y HN 0.362 nan 8.280 nan 0.000 0.540 1416 E N 2.753 123.157 120.200 0.339 0.000 2.392 1416 E HA 0.045 4.395 4.350 0.000 0.000 0.256 1416 E C -0.061 176.669 176.600 0.216 0.000 1.145 1416 E CA -0.648 55.903 56.400 0.252 0.000 0.929 1416 E CB 0.344 30.141 29.700 0.162 0.000 0.998 1416 E HN 0.232 nan 8.360 nan 0.000 0.442 1417 K N 2.271 122.750 120.400 0.132 0.000 2.569 1417 K HA -0.115 4.205 4.320 0.000 0.000 0.280 1417 K C -0.600 176.050 176.600 0.083 0.000 0.984 1417 K CA 0.576 56.916 56.287 0.088 0.000 1.064 1417 K CB 0.141 32.671 32.500 0.049 0.000 0.866 1417 K HN 0.690 nan 8.250 nan 0.000 0.492 1418 R N 2.097 122.631 120.500 0.056 0.000 2.584 1418 R HA 0.308 4.648 4.340 0.000 0.000 0.276 1418 R C -1.082 175.236 176.300 0.031 0.000 1.046 1418 R CA -0.988 55.130 56.100 0.029 0.000 0.906 1418 R CB 0.827 31.113 30.300 -0.025 0.000 1.215 1418 R HN 0.327 nan 8.270 nan 0.000 0.449 1419 D N 2.013 122.430 120.400 0.029 0.000 2.449 1419 D HA -0.006 4.634 4.640 0.000 0.000 0.236 1419 D C -0.920 175.422 176.300 0.069 0.000 1.149 1419 D CA 0.590 54.618 54.000 0.047 0.000 0.878 1419 D CB 0.490 41.300 40.800 0.016 0.000 1.198 1419 D HN 0.394 nan 8.370 nan 0.000 0.446 1420 F N 1.865 121.793 119.950 -0.037 0.000 2.427 1420 F HA 0.414 4.941 4.527 0.000 0.000 0.346 1420 F C -0.639 175.143 175.800 -0.030 0.000 1.120 1420 F CA -0.675 57.300 58.000 -0.041 0.000 1.033 1420 F CB 0.894 39.873 39.000 -0.036 0.000 1.126 1420 F HN -0.032 nan 8.300 nan 0.000 0.462 1421 K N 3.758 123.605 120.400 -0.921 0.000 2.541 1421 K HA 0.339 4.659 4.320 0.000 0.000 0.250 1421 K C -1.217 174.858 176.600 -0.875 0.000 0.950 1421 K CA -0.649 55.205 56.287 -0.723 0.000 0.805 1421 K CB 2.062 34.369 32.500 -0.321 0.000 1.166 1421 K HN 0.427 nan 8.250 nan 0.000 0.430 1422 S N 2.252 117.528 115.700 -0.706 0.000 2.520 1422 S HA 0.141 4.611 4.470 0.000 0.000 0.324 1422 S C 0.011 174.509 174.600 -0.170 0.000 1.069 1422 S CA -0.743 57.230 58.200 -0.377 0.000 1.121 1422 S CB 0.301 63.425 63.200 -0.127 0.000 0.971 1422 S HN 0.637 nan 8.310 nan 0.000 0.463 1423 D N 4.696 125.016 120.400 -0.134 0.000 2.328 1423 D HA 0.046 4.686 4.640 0.000 0.000 0.221 1423 D C 1.065 177.338 176.300 -0.044 0.000 1.072 1423 D CA -0.198 53.754 54.000 -0.079 0.000 0.850 1423 D CB -0.236 40.519 40.800 -0.075 0.000 0.922 1423 D HN 0.698 nan 8.370 nan 0.000 0.516 1424 I N -3.011 117.540 120.570 -0.033 0.000 3.842 1424 I HA 0.548 4.718 4.170 0.000 0.000 0.273 1424 I C -0.278 175.842 176.117 0.004 0.000 1.348 1424 I CA -0.901 60.394 61.300 -0.009 0.000 0.948 1424 I CB 1.185 39.186 38.000 0.002 0.000 1.534 1424 I HN -0.380 nan 8.210 nan 0.000 0.656 1425 K N 1.143 121.550 120.400 0.011 0.000 2.578 1425 K HA 0.421 4.741 4.320 0.000 0.000 0.269 1425 K C -1.419 175.191 176.600 0.017 0.000 0.941 1425 K CA -0.663 55.633 56.287 0.016 0.000 0.847 1425 K CB 2.588 35.094 32.500 0.009 0.000 1.397 1425 K HN 0.683 nan 8.250 nan 0.000 0.422 1426 R N 0.000 120.512 120.500 0.019 0.000 2.786 1426 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1426 R CA 0.000 56.110 56.100 0.016 0.000 0.921 1426 R CB 0.000 30.312 30.300 0.020 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535