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 1nxe_1_B DATA FIRST_RESID 1001 DATA SEQUENCE ADTKAKLTLN GDTAVELDVL KGTLGQDVID IRTLGSKGVF TFDPGFTSTA 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 ALKMLEEISS VKHIPEFFRR AKDKNDSFRL DATA SEQUENCE MGFGHRVYKN YDPRATVMRE TCHEVLKELG TKDDLLEVAM ELENIALNDP DATA SEQUENCE YFIEKKLYPN VDFYSGIILK AMGIPSSMFT VIAAMARTVG 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 -0.001 0.000 1.274 1001 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1001 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 1002 D N 0.270 120.671 120.400 0.001 0.000 2.838 1002 D HA 0.089 4.729 4.640 0.000 0.000 0.245 1002 D C 1.155 177.457 176.300 0.003 0.000 1.424 1002 D CA 1.278 55.279 54.000 0.002 0.000 1.214 1002 D CB 0.833 41.635 40.800 0.004 0.000 0.937 1002 D HN 0.287 nan 8.370 nan 0.000 0.232 1003 T N 0.621 115.178 114.554 0.004 0.000 3.244 1003 T HA 0.104 4.454 4.350 0.000 0.000 0.254 1003 T C 0.674 175.376 174.700 0.004 0.000 1.024 1003 T CA -0.253 61.849 62.100 0.004 0.000 0.920 1003 T CB -0.257 68.614 68.868 0.006 0.000 1.042 1003 T HN 0.039 nan 8.240 nan 0.000 0.572 1004 K N 0.742 121.143 120.400 0.002 0.000 2.585 1004 K HA 0.117 4.437 4.320 0.000 0.000 0.194 1004 K C 1.724 178.324 176.600 -0.000 0.000 1.037 1004 K CA 0.601 56.889 56.287 0.000 0.000 0.964 1004 K CB -0.478 32.021 32.500 -0.002 0.000 0.787 1004 K HN 0.527 nan 8.250 nan 0.000 0.488 1005 A N 1.863 124.683 122.820 0.001 0.000 1.878 1005 A HA 0.004 4.324 4.320 0.000 0.000 0.215 1005 A C 0.996 178.582 177.584 0.002 0.000 1.310 1005 A CA 1.177 53.215 52.037 0.001 0.000 0.612 1005 A CB 0.146 19.147 19.000 0.001 0.000 0.989 1005 A HN 0.363 nan 8.150 nan 0.000 0.472 1006 K N -2.213 118.189 120.400 0.004 0.000 2.395 1006 K HA 0.688 5.008 4.320 0.000 0.000 0.272 1006 K C -1.380 175.224 176.600 0.007 0.000 0.984 1006 K CA -0.509 55.781 56.287 0.005 0.000 0.816 1006 K CB 0.642 33.145 32.500 0.005 0.000 1.504 1006 K HN 0.818 nan 8.250 nan 0.000 0.375 1007 L N -2.615 118.613 121.223 0.008 0.000 2.838 1007 L HA 0.724 5.065 4.340 0.000 0.000 0.266 1007 L C -1.555 175.322 176.870 0.011 0.000 1.040 1007 L CA -0.643 54.203 54.840 0.010 0.000 0.906 1007 L CB 2.104 44.171 42.059 0.013 0.000 1.501 1007 L HN 0.948 nan 8.230 nan 0.000 0.407 1008 T N -0.425 114.136 114.554 0.012 0.000 2.933 1008 T HA 0.732 5.082 4.350 0.000 0.000 0.305 1008 T C -1.331 173.378 174.700 0.015 0.000 1.092 1008 T CA -0.579 61.529 62.100 0.013 0.000 1.008 1008 T CB 1.818 70.692 68.868 0.010 0.000 1.102 1008 T HN 0.854 nan 8.240 nan 0.000 0.469 1009 L N 2.632 123.865 121.223 0.017 0.000 2.322 1009 L HA 0.631 4.971 4.340 0.000 0.000 0.281 1009 L C -1.051 175.828 176.870 0.014 0.000 1.014 1009 L CA -0.518 54.333 54.840 0.019 0.000 0.815 1009 L CB 1.287 43.361 42.059 0.026 0.000 1.247 1009 L HN 0.756 nan 8.230 nan 0.000 0.421 1010 N N 4.003 122.710 118.700 0.012 0.000 2.524 1010 N HA 0.315 5.055 4.740 0.000 0.000 0.261 1010 N C 0.453 175.965 175.510 0.004 0.000 0.998 1010 N CA 0.022 53.076 53.050 0.007 0.000 0.915 1010 N CB 1.996 40.486 38.487 0.006 0.000 1.187 1010 N HN 0.873 nan 8.380 nan 0.000 0.507 1011 G N 0.494 109.295 108.800 0.001 0.000 2.408 1011 G HA2 -0.093 3.867 3.960 0.000 0.000 0.213 1011 G HA3 -0.093 3.867 3.960 0.000 0.000 0.213 1011 G C 0.473 175.370 174.900 -0.006 0.000 1.177 1011 G CA 0.669 45.767 45.100 -0.004 0.000 0.802 1011 G HN 0.492 nan 8.290 nan 0.000 0.533 1012 D N -1.149 119.247 120.400 -0.006 0.000 2.672 1012 D HA 0.149 4.789 4.640 0.000 0.000 0.321 1012 D C -0.296 176.002 176.300 -0.004 0.000 1.496 1012 D CA 0.165 54.161 54.000 -0.006 0.000 0.901 1012 D CB 1.054 41.849 40.800 -0.009 0.000 1.441 1012 D HN 0.189 nan 8.370 nan 0.000 0.423 1013 T N 0.215 114.768 114.554 -0.003 0.000 2.786 1013 T HA 0.585 4.935 4.350 0.000 0.000 0.316 1013 T C -1.046 173.655 174.700 0.001 0.000 1.503 1013 T CA -0.615 61.485 62.100 -0.001 0.000 1.019 1013 T CB 2.047 70.914 68.868 -0.002 0.000 1.415 1013 T HN 0.036 nan 8.240 nan 0.000 0.496 1014 A N 0.943 123.765 122.820 0.003 0.000 2.322 1014 A HA 0.804 5.124 4.320 0.000 0.000 0.269 1014 A C -0.648 176.940 177.584 0.006 0.000 1.094 1014 A CA -0.436 51.604 52.037 0.005 0.000 0.807 1014 A CB 0.386 19.389 19.000 0.005 0.000 1.047 1014 A HN 0.711 nan 8.150 nan 0.000 0.487 1015 V N 2.025 121.945 119.914 0.009 0.000 2.655 1015 V HA 0.274 4.394 4.120 0.000 0.000 0.301 1015 V C -0.642 175.460 176.094 0.012 0.000 1.082 1015 V CA -0.583 61.724 62.300 0.011 0.000 0.899 1015 V CB 1.685 33.517 31.823 0.015 0.000 1.014 1015 V HN 1.002 nan 8.190 nan 0.000 0.429 1016 E N 4.915 125.122 120.200 0.011 0.000 2.174 1016 E HA 0.673 5.023 4.350 0.000 0.000 0.282 1016 E C -1.192 175.415 176.600 0.012 0.000 0.992 1016 E CA -0.434 55.973 56.400 0.010 0.000 0.803 1016 E CB 1.869 31.574 29.700 0.008 0.000 1.090 1016 E HN 0.490 nan 8.360 nan 0.000 0.396 1017 L N 2.502 123.732 121.223 0.012 0.000 2.342 1017 L HA 0.426 4.766 4.340 0.000 0.000 0.271 1017 L C 0.021 176.896 176.870 0.009 0.000 1.008 1017 L CA -1.207 53.640 54.840 0.013 0.000 0.818 1017 L CB 1.404 43.473 42.059 0.017 0.000 1.296 1017 L HN 0.399 nan 8.230 nan 0.000 0.427 1018 D N 0.517 120.922 120.400 0.007 0.000 2.414 1018 D HA 0.277 4.917 4.640 0.000 0.000 0.251 1018 D C -0.380 175.923 176.300 0.005 0.000 1.252 1018 D CA -0.046 53.956 54.000 0.004 0.000 0.999 1018 D CB 1.849 42.650 40.800 0.001 0.000 1.093 1018 D HN 0.180 nan 8.370 nan 0.000 0.515 1019 V N 2.136 122.052 119.914 0.003 0.000 2.666 1019 V HA 0.115 4.235 4.120 0.000 0.000 0.261 1019 V C -1.237 174.857 176.094 0.001 0.000 0.892 1019 V CA -0.745 61.557 62.300 0.003 0.000 0.937 1019 V CB 0.052 31.878 31.823 0.005 0.000 1.063 1019 V HN 0.248 nan 8.190 nan 0.000 0.494 1020 L N 3.341 124.563 121.223 -0.001 0.000 2.559 1020 L HA 0.229 4.569 4.340 0.000 0.000 0.282 1020 L C 0.731 177.599 176.870 -0.003 0.000 1.232 1020 L CA 1.037 55.875 54.840 -0.004 0.000 0.885 1020 L CB -0.618 41.437 42.059 -0.007 0.000 1.131 1020 L HN 0.543 nan 8.230 nan 0.000 0.498 1021 K N 1.423 121.819 120.400 -0.006 0.000 2.118 1021 K HA 0.654 4.974 4.320 0.000 0.000 0.254 1021 K C 0.343 176.937 176.600 -0.010 0.000 0.961 1021 K CA -0.548 55.735 56.287 -0.007 0.000 0.876 1021 K CB 1.756 34.249 32.500 -0.011 0.000 1.077 1021 K HN 0.803 nan 8.250 nan 0.000 0.440 1022 G N -0.550 108.244 108.800 -0.009 0.000 2.552 1022 G HA2 0.200 4.160 3.960 0.000 0.000 0.324 1022 G HA3 0.200 4.160 3.960 0.000 0.000 0.324 1022 G C 0.773 175.647 174.900 -0.043 0.000 1.217 1022 G CA -0.565 44.526 45.100 -0.015 0.000 0.989 1022 G HN 0.611 nan 8.290 nan 0.000 0.490 1023 T N -2.063 112.450 114.554 -0.068 0.000 3.067 1023 T HA 0.277 4.628 4.350 0.000 0.000 0.261 1023 T C 0.719 175.311 174.700 -0.180 0.000 1.110 1023 T CA 0.568 62.603 62.100 -0.109 0.000 1.113 1023 T CB -0.153 68.645 68.868 -0.117 0.000 0.917 1023 T HN 0.186 nan 8.240 nan 0.000 0.499 1024 L N -0.881 120.217 121.223 -0.207 0.000 2.568 1024 L HA 0.600 4.940 4.340 0.000 0.000 0.257 1024 L C 0.746 177.587 176.870 -0.049 0.000 1.024 1024 L CA -0.399 54.225 54.840 -0.360 0.000 0.854 1024 L CB 1.796 43.194 42.059 -1.103 0.000 1.460 1024 L HN 0.419 nan 8.230 nan 0.000 0.409 1025 G N 1.122 109.999 108.800 0.129 0.000 2.601 1025 G HA2 -0.169 3.791 3.960 0.000 0.000 0.252 1025 G HA3 -0.169 3.791 3.960 0.000 0.000 0.252 1025 G C -0.741 174.234 174.900 0.126 0.000 1.294 1025 G CA -0.526 44.752 45.100 0.296 0.000 0.912 1025 G HN 0.481 nan 8.290 nan 0.000 0.574 1026 Q N 1.044 120.907 119.800 0.105 0.000 2.299 1026 Q HA 0.403 4.744 4.340 0.000 0.000 0.246 1026 Q C -0.189 175.836 176.000 0.042 0.000 0.935 1026 Q CA -0.259 55.578 55.803 0.056 0.000 0.887 1026 Q CB 0.943 29.706 28.738 0.041 0.000 1.223 1026 Q HN 0.578 nan 8.270 nan 0.000 0.439 1027 D N 0.650 121.066 120.400 0.026 0.000 2.312 1027 D HA 0.375 5.015 4.640 0.000 0.000 0.248 1027 D C -0.190 176.119 176.300 0.015 0.000 1.086 1027 D CA -0.396 53.614 54.000 0.017 0.000 0.948 1027 D CB 1.298 42.103 40.800 0.009 0.000 1.162 1027 D HN 0.273 nan 8.370 nan 0.000 0.446 1028 V N -1.659 118.261 119.914 0.010 0.000 2.815 1028 V HA 0.545 4.665 4.120 0.000 0.000 0.314 1028 V C 0.103 176.200 176.094 0.006 0.000 1.064 1028 V CA -1.014 61.291 62.300 0.008 0.000 0.952 1028 V CB 1.545 33.370 31.823 0.003 0.000 1.020 1028 V HN 0.394 nan 8.190 nan 0.000 0.439 1029 I N 2.942 123.518 120.570 0.009 0.000 2.363 1029 I HA 0.205 4.376 4.170 0.000 0.000 0.292 1029 I C 0.088 176.209 176.117 0.008 0.000 1.075 1029 I CA 0.127 61.433 61.300 0.011 0.000 1.333 1029 I CB 0.648 38.658 38.000 0.017 0.000 1.415 1029 I HN 0.757 nan 8.210 nan 0.000 0.502 1030 D N 8.017 128.420 120.400 0.005 0.000 2.358 1030 D HA 0.095 4.735 4.640 0.000 0.000 0.258 1030 D C 0.592 176.897 176.300 0.008 0.000 1.223 1030 D CA 0.050 54.050 54.000 0.002 0.000 0.886 1030 D CB 0.706 41.505 40.800 -0.002 0.000 1.120 1030 D HN 0.529 nan 8.370 nan 0.000 0.482 1031 I N 0.762 121.338 120.570 0.009 0.000 3.947 1031 I HA 0.285 4.455 4.170 0.000 0.000 0.327 1031 I C 1.360 177.487 176.117 0.016 0.000 1.519 1031 I CA -0.711 60.602 61.300 0.021 0.000 1.122 1031 I CB 0.330 38.350 38.000 0.034 0.000 1.146 1031 I HN 0.084 nan 8.210 nan 0.000 0.442 1032 R N 1.588 122.089 120.500 0.002 0.000 2.103 1032 R HA -0.138 4.202 4.340 0.000 0.000 0.242 1032 R C 1.997 178.300 176.300 0.006 0.000 1.142 1032 R CA 2.371 58.467 56.100 -0.007 0.000 0.960 1032 R CB -0.466 29.824 30.300 -0.016 0.000 0.858 1032 R HN 0.664 nan 8.270 nan 0.000 0.439 1033 T N -1.821 112.743 114.554 0.016 0.000 3.144 1033 T HA 0.184 4.534 4.350 0.000 0.000 0.249 1033 T C 1.694 176.424 174.700 0.050 0.000 1.089 1033 T CA -0.067 62.049 62.100 0.026 0.000 0.989 1033 T CB -0.005 68.875 68.868 0.020 0.000 0.992 1033 T HN 0.070 nan 8.240 nan 0.000 0.540 1034 L N 1.064 122.325 121.223 0.064 0.000 2.017 1034 L HA 0.053 4.393 4.340 0.000 0.000 0.208 1034 L C 3.106 180.075 176.870 0.165 0.000 1.073 1034 L CA 1.564 56.465 54.840 0.102 0.000 0.745 1034 L CB -1.262 40.869 42.059 0.119 0.000 0.894 1034 L HN 0.495 nan 8.230 nan 0.000 0.432 1035 G N 0.026 108.938 108.800 0.187 0.000 2.596 1035 G HA2 -0.354 3.606 3.960 0.000 0.000 0.223 1035 G HA3 -0.354 3.606 3.960 0.000 0.000 0.223 1035 G C 1.310 176.370 174.900 0.267 0.000 1.120 1035 G CA 1.167 46.444 45.100 0.295 0.000 0.752 1035 G HN 0.531 nan 8.290 nan 0.000 0.596 1036 S N -0.843 114.940 115.700 0.137 0.000 3.033 1036 S HA 0.405 4.875 4.470 0.000 0.000 0.258 1036 S C 0.762 175.407 174.600 0.074 0.000 1.207 1036 S CA 0.151 58.407 58.200 0.093 0.000 1.248 1036 S CB 0.066 63.300 63.200 0.055 0.000 0.932 1036 S HN 0.510 nan 8.310 nan 0.000 0.472 1037 K N -0.867 119.585 120.400 0.087 0.000 2.612 1037 K HA 0.245 4.565 4.320 0.000 0.000 0.199 1037 K C 1.112 177.704 176.600 -0.013 0.000 1.520 1037 K CA 0.212 56.520 56.287 0.035 0.000 1.039 1037 K CB 0.487 33.007 32.500 0.034 0.000 1.286 1037 K HN 0.411 nan 8.250 nan 0.000 0.622 1038 G N 1.663 110.461 108.800 -0.004 0.000 2.347 1038 G HA2 -0.309 3.652 3.960 0.000 0.000 0.247 1038 G HA3 -0.309 3.652 3.960 0.000 0.000 0.247 1038 G C 0.213 174.742 174.900 -0.618 0.000 1.037 1038 G CA 0.356 45.274 45.100 -0.305 0.000 0.622 1038 G HN 0.227 nan 8.290 nan 0.000 0.521 1039 V N 2.481 122.295 119.914 -0.165 0.000 2.493 1039 V HA 0.528 4.648 4.120 0.000 0.000 0.292 1039 V C 0.229 176.499 176.094 0.294 0.000 1.016 1039 V CA 0.180 62.453 62.300 -0.047 0.000 1.097 1039 V CB -0.354 31.489 31.823 0.034 0.000 0.947 1039 V HN 0.286 nan 8.190 nan 0.000 0.479 1040 F N 4.288 124.268 119.950 0.050 0.000 2.598 1040 F HA 0.641 5.168 4.527 0.000 0.000 0.327 1040 F C 0.555 176.409 175.800 0.090 0.000 1.057 1040 F CA -1.012 57.030 58.000 0.071 0.000 0.957 1040 F CB 2.578 41.629 39.000 0.084 0.000 1.278 1040 F HN 0.513 nan 8.300 nan 0.000 0.484 1041 T N -1.368 113.370 114.554 0.307 0.000 2.940 1041 T HA 0.547 4.897 4.350 0.000 0.000 0.288 1041 T C -1.277 173.599 174.700 0.293 0.000 1.033 1041 T CA -0.664 61.578 62.100 0.237 0.000 1.033 1041 T CB 2.361 71.325 68.868 0.160 0.000 1.079 1041 T HN 0.458 nan 8.240 nan 0.000 0.496 1042 F N 1.397 121.401 119.950 0.090 0.000 2.460 1042 F HA 0.538 5.065 4.527 0.000 0.000 0.341 1042 F C -0.930 174.891 175.800 0.035 0.000 1.130 1042 F CA -0.573 57.464 58.000 0.061 0.000 0.962 1042 F CB 1.391 40.419 39.000 0.048 0.000 1.171 1042 F HN 0.671 nan 8.300 nan 0.000 0.436 1043 D N 7.625 127.758 120.400 -0.446 0.000 2.823 1043 D HA 0.288 4.928 4.640 0.000 0.000 0.255 1043 D C -2.818 173.147 176.300 -0.558 0.000 1.257 1043 D CA -1.536 52.251 54.000 -0.356 0.000 0.803 1043 D CB 1.074 41.843 40.800 -0.050 0.000 1.384 1043 D HN 0.122 nan 8.370 nan 0.000 0.541 1044 P HA 0.332 nan 4.420 nan 0.000 0.263 1044 P C 0.973 177.996 177.300 -0.461 0.000 1.195 1044 P CA 0.645 63.372 63.100 -0.621 0.000 0.762 1044 P CB 1.066 32.477 31.700 -0.482 0.000 0.799 1045 G N 2.671 111.134 108.800 -0.561 0.000 2.254 1045 G HA2 -0.316 3.644 3.960 0.000 0.000 0.225 1045 G HA3 -0.316 3.644 3.960 0.000 0.000 0.225 1045 G C 0.664 175.475 174.900 -0.150 0.000 1.003 1045 G CA -0.078 44.841 45.100 -0.302 0.000 0.622 1045 G HN 0.505 nan 8.290 nan 0.000 0.507 1046 F N 0.129 120.021 119.950 -0.096 0.000 3.034 1046 F HA -0.293 4.234 4.527 0.000 0.000 0.286 1046 F C 2.007 177.771 175.800 -0.059 0.000 0.804 1046 F CA 1.479 59.432 58.000 -0.077 0.000 1.161 1046 F CB -2.100 36.860 39.000 -0.066 0.000 1.317 1046 F HN 0.594 nan 8.300 nan 0.000 0.453 1047 T N -4.913 109.688 114.554 0.078 0.000 3.215 1047 T HA 0.096 4.446 4.350 0.000 0.000 0.254 1047 T C 1.000 175.720 174.700 0.033 0.000 1.149 1047 T CA 0.976 63.100 62.100 0.040 0.000 1.042 1047 T CB 0.222 69.093 68.868 0.003 0.000 0.966 1047 T HN 0.297 nan 8.240 nan 0.000 0.534 1048 S N 0.370 116.101 115.700 0.052 0.000 3.031 1048 S HA 0.249 4.719 4.470 0.000 0.000 0.253 1048 S C -0.189 174.443 174.600 0.052 0.000 0.996 1048 S CA -0.562 57.662 58.200 0.041 0.000 1.098 1048 S CB 0.870 64.092 63.200 0.037 0.000 1.042 1048 S HN 0.502 nan 8.310 nan 0.000 0.593 1049 T N 2.494 117.088 114.554 0.068 0.000 2.906 1049 T HA 0.549 4.900 4.350 0.000 0.000 0.302 1049 T C -0.264 174.422 174.700 -0.024 0.000 1.002 1049 T CA -0.440 61.683 62.100 0.039 0.000 0.988 1049 T CB 1.505 70.433 68.868 0.100 0.000 0.972 1049 T HN 0.222 nan 8.240 nan 0.000 0.447 1050 A N 2.450 125.248 122.820 -0.036 0.000 2.395 1050 A HA 0.451 4.771 4.320 0.000 0.000 0.286 1050 A C 1.427 178.947 177.584 -0.106 0.000 1.193 1050 A CA -0.445 51.561 52.037 -0.052 0.000 0.852 1050 A CB -0.080 18.903 19.000 -0.028 0.000 1.118 1050 A HN 0.916 nan 8.150 nan 0.000 0.524 1051 S N 0.869 116.480 115.700 -0.148 0.000 2.603 1051 S HA 0.198 4.668 4.470 0.000 0.000 0.220 1051 S C 0.623 175.140 174.600 -0.138 0.000 0.967 1051 S CA 0.334 58.403 58.200 -0.218 0.000 0.920 1051 S CB -1.473 61.545 63.200 -0.302 0.000 0.773 1051 S HN 1.820 nan 8.310 nan 0.000 0.529 1052 C N -0.915 118.336 119.300 -0.082 0.000 3.231 1052 C HA 0.709 5.169 4.460 0.000 0.000 0.343 1052 C C -1.361 173.614 174.990 -0.024 0.000 1.349 1052 C CA -1.109 57.878 59.018 -0.052 0.000 1.209 1052 C CB 0.824 28.545 27.740 -0.033 0.000 1.475 1052 C HN 0.480 nan 8.230 nan 0.000 0.460 1053 E N 1.235 121.424 120.200 -0.018 0.000 2.166 1053 E HA 0.671 5.021 4.350 0.000 0.000 0.275 1053 E C -0.777 175.828 176.600 0.007 0.000 0.941 1053 E CA 0.084 56.481 56.400 -0.006 0.000 0.784 1053 E CB 1.595 31.285 29.700 -0.017 0.000 1.115 1053 E HN 0.857 nan 8.360 nan 0.000 0.399 1054 S N 3.089 118.805 115.700 0.027 0.000 2.569 1054 S HA 0.439 4.909 4.470 0.000 0.000 0.280 1054 S C -0.525 174.092 174.600 0.028 0.000 1.111 1054 S CA -0.669 57.552 58.200 0.036 0.000 0.887 1054 S CB 1.124 64.378 63.200 0.090 0.000 1.095 1054 S HN 0.584 nan 8.310 nan 0.000 0.476 1055 K N 2.835 123.235 120.400 0.001 0.000 2.536 1055 K HA 0.375 4.695 4.320 0.000 0.000 0.203 1055 K C 0.642 177.233 176.600 -0.015 0.000 1.063 1055 K CA 0.044 56.325 56.287 -0.010 0.000 1.063 1055 K CB 0.332 32.811 32.500 -0.035 0.000 0.843 1055 K HN 0.495 nan 8.250 nan 0.000 0.521 1056 I N 0.255 120.819 120.570 -0.011 0.000 2.405 1056 I HA -0.022 4.149 4.170 0.000 0.000 0.236 1056 I C 0.556 176.735 176.117 0.103 0.000 1.071 1056 I CA 0.888 62.174 61.300 -0.023 0.000 1.398 1056 I CB 0.290 38.174 38.000 -0.194 0.000 1.162 1056 I HN -0.099 nan 8.210 nan 0.000 0.432 1057 T N 1.001 115.667 114.554 0.186 0.000 2.876 1057 T HA 0.459 4.809 4.350 0.000 0.000 0.289 1057 T C -1.300 173.535 174.700 0.226 0.000 1.014 1057 T CA -0.264 61.996 62.100 0.268 0.000 0.986 1057 T CB 2.287 71.391 68.868 0.393 0.000 1.021 1057 T HN 0.019 nan 8.240 nan 0.000 0.458 1058 F N 3.283 123.253 119.950 0.034 0.000 2.529 1058 F HA 0.784 5.311 4.527 0.000 0.000 0.320 1058 F C -1.554 174.246 175.800 -0.000 0.000 1.118 1058 F CA -1.038 56.967 58.000 0.008 0.000 0.915 1058 F CB 0.921 39.914 39.000 -0.013 0.000 1.161 1058 F HN 0.436 nan 8.300 nan 0.000 0.445 1059 I N 5.289 125.252 120.570 -1.011 0.000 2.534 1059 I HA 0.225 4.395 4.170 0.000 0.000 0.288 1059 I C -1.508 174.095 176.117 -0.858 0.000 1.077 1059 I CA -0.703 60.182 61.300 -0.691 0.000 1.051 1059 I CB 1.950 39.734 38.000 -0.359 0.000 1.234 1059 I HN 0.466 nan 8.210 nan 0.000 0.425 1060 D N 5.176 125.283 120.400 -0.488 0.000 2.485 1060 D HA 0.241 4.881 4.640 0.000 0.000 0.229 1060 D C 1.219 177.443 176.300 -0.126 0.000 1.101 1060 D CA -0.269 53.586 54.000 -0.242 0.000 0.906 1060 D CB 1.618 42.426 40.800 0.014 0.000 1.019 1060 D HN 0.743 nan 8.370 nan 0.000 0.516 1061 G N 3.302 111.985 108.800 -0.196 0.000 2.606 1061 G HA2 -0.327 3.633 3.960 0.000 0.000 0.221 1061 G HA3 -0.327 3.633 3.960 0.000 0.000 0.221 1061 G C 1.112 175.981 174.900 -0.051 0.000 1.152 1061 G CA 0.778 45.763 45.100 -0.192 0.000 0.765 1061 G HN 0.484 nan 8.290 nan 0.000 0.595 1062 D N 0.257 120.627 120.400 -0.049 0.000 2.183 1062 D HA -0.025 4.615 4.640 0.000 0.000 0.203 1062 D C 2.075 178.342 176.300 -0.055 0.000 0.969 1062 D CA 0.575 54.553 54.000 -0.036 0.000 0.842 1062 D CB -0.072 40.720 40.800 -0.013 0.000 0.957 1062 D HN 0.226 nan 8.370 nan 0.000 0.484 1063 E N 0.279 120.460 120.200 -0.030 0.000 2.489 1063 E HA 0.097 4.447 4.350 0.000 0.000 0.193 1063 E C 0.893 177.437 176.600 -0.094 0.000 1.057 1063 E CA -0.049 56.342 56.400 -0.016 0.000 0.866 1063 E CB 0.024 29.751 29.700 0.045 0.000 0.916 1063 E HN 0.252 nan 8.360 nan 0.000 0.500 1064 G N 2.068 110.754 108.800 -0.191 0.000 2.366 1064 G HA2 -0.247 3.714 3.960 0.000 0.000 0.299 1064 G HA3 -0.247 3.714 3.960 0.000 0.000 0.299 1064 G C 0.138 174.949 174.900 -0.149 0.000 1.020 1064 G CA 0.137 44.997 45.100 -0.400 0.000 1.026 1064 G HN 0.134 nan 8.290 nan 0.000 0.512 1065 I N -0.002 120.591 120.570 0.038 0.000 2.354 1065 I HA 0.543 4.713 4.170 0.000 0.000 0.292 1065 I C -0.041 176.124 176.117 0.081 0.000 0.989 1065 I CA -1.521 59.817 61.300 0.064 0.000 1.188 1065 I CB 1.444 39.519 38.000 0.124 0.000 1.342 1065 I HN 0.116 nan 8.210 nan 0.000 0.457 1066 L N 8.321 129.561 121.223 0.028 0.000 2.372 1066 L HA 0.566 4.906 4.340 0.000 0.000 0.273 1066 L C -1.246 175.553 176.870 -0.118 0.000 0.989 1066 L CA -0.150 54.670 54.840 -0.033 0.000 0.841 1066 L CB 1.218 43.247 42.059 -0.050 0.000 1.225 1066 L HN 0.383 nan 8.230 nan 0.000 0.414 1067 L N 4.790 125.954 121.223 -0.099 0.000 2.346 1067 L HA 0.562 4.902 4.340 0.000 0.000 0.276 1067 L C -0.946 175.830 176.870 -0.156 0.000 1.006 1067 L CA -0.824 53.981 54.840 -0.059 0.000 0.817 1067 L CB 1.807 43.946 42.059 0.135 0.000 1.272 1067 L HN 0.516 nan 8.230 nan 0.000 0.421 1068 H N 5.063 124.209 119.070 0.126 0.000 2.762 1068 H HA 0.371 4.928 4.556 0.000 0.000 0.310 1068 H C -0.218 175.138 175.328 0.047 0.000 1.004 1068 H CA -0.589 55.519 56.048 0.100 0.000 1.267 1068 H CB 1.428 31.259 29.762 0.114 0.000 1.437 1068 H HN 0.472 nan 8.280 nan 0.000 0.498 1069 R N 1.783 122.329 120.500 0.077 0.000 3.875 1069 R HA -0.208 4.132 4.340 0.000 0.000 0.321 1069 R C 1.157 177.244 176.300 -0.356 0.000 1.196 1069 R CA 0.961 56.990 56.100 -0.119 0.000 0.868 1069 R CB -2.117 28.124 30.300 -0.100 0.000 1.333 1069 R HN 1.127 nan 8.270 nan 0.000 0.522 1070 G N -0.895 107.789 108.800 -0.195 0.000 2.299 1070 G HA2 -0.347 3.613 3.960 0.000 0.000 0.237 1070 G HA3 -0.347 3.613 3.960 0.000 0.000 0.237 1070 G C 0.292 175.111 174.900 -0.135 0.000 1.027 1070 G CA 0.150 45.112 45.100 -0.231 0.000 0.619 1070 G HN 0.296 nan 8.290 nan 0.000 0.513 1071 F N 3.157 123.130 119.950 0.039 0.000 2.494 1071 F HA 0.387 4.914 4.527 0.000 0.000 0.369 1071 F C -1.495 174.322 175.800 0.029 0.000 1.098 1071 F CA -1.788 56.231 58.000 0.033 0.000 1.154 1071 F CB 0.648 39.675 39.000 0.044 0.000 1.103 1071 F HN -0.081 nan 8.300 nan 0.000 0.549 1072 P HA -0.146 nan 4.420 nan 0.000 0.261 1072 P C 0.845 178.197 177.300 0.087 0.000 1.173 1072 P CA 0.244 63.404 63.100 0.100 0.000 0.760 1072 P CB 0.553 32.300 31.700 0.078 0.000 0.783 1073 I N 3.788 124.376 120.570 0.030 0.000 2.151 1073 I HA -0.290 3.880 4.170 0.000 0.000 0.243 1073 I C 1.386 177.530 176.117 0.045 0.000 1.080 1073 I CA 1.956 63.287 61.300 0.051 0.000 1.339 1073 I CB -0.537 37.456 38.000 -0.011 0.000 1.039 1073 I HN 0.318 nan 8.210 nan 0.000 0.409 1074 D N -0.150 120.258 120.400 0.015 0.000 2.263 1074 D HA -0.197 4.443 4.640 0.000 0.000 0.208 1074 D C 2.120 178.422 176.300 0.003 0.000 0.971 1074 D CA 1.001 55.002 54.000 0.000 0.000 0.867 1074 D CB -0.102 40.690 40.800 -0.014 0.000 0.929 1074 D HN 0.591 nan 8.370 nan 0.000 0.492 1075 Q N -0.157 119.653 119.800 0.016 0.000 2.137 1075 Q HA 0.016 4.356 4.340 0.000 0.000 0.198 1075 Q C 2.437 178.424 176.000 -0.022 0.000 0.960 1075 Q CA 0.466 56.268 55.803 -0.002 0.000 0.847 1075 Q CB 0.191 28.938 28.738 0.014 0.000 0.915 1075 Q HN 0.271 nan 8.270 nan 0.000 0.448 1076 L N -0.275 120.952 121.223 0.006 0.000 2.044 1076 L HA -0.095 4.245 4.340 0.000 0.000 0.205 1076 L C 2.404 179.276 176.870 0.004 0.000 1.075 1076 L CA 0.900 55.736 54.840 -0.007 0.000 0.747 1076 L CB -0.466 41.630 42.059 0.062 0.000 0.903 1076 L HN 0.182 nan 8.230 nan 0.000 0.435 1077 A N -0.881 121.954 122.820 0.025 0.000 2.076 1077 A HA -0.170 4.150 4.320 0.000 0.000 0.220 1077 A C 2.234 179.821 177.584 0.005 0.000 1.160 1077 A CA 2.263 54.312 52.037 0.021 0.000 0.653 1077 A CB -0.605 18.406 19.000 0.017 0.000 0.801 1077 A HN 0.431 nan 8.150 nan 0.000 0.455 1078 T N -1.026 113.523 114.554 -0.008 0.000 3.042 1078 T HA 0.034 4.384 4.350 0.000 0.000 0.245 1078 T C 0.842 175.528 174.700 -0.025 0.000 1.029 1078 T CA 0.956 63.047 62.100 -0.015 0.000 1.120 1078 T CB -0.003 68.853 68.868 -0.020 0.000 0.917 1078 T HN 0.447 nan 8.240 nan 0.000 0.467 1079 D N 0.642 121.018 120.400 -0.041 0.000 2.433 1079 D HA 0.305 4.945 4.640 0.000 0.000 0.211 1079 D C 0.854 177.107 176.300 -0.079 0.000 1.114 1079 D CA 0.123 54.087 54.000 -0.060 0.000 0.837 1079 D CB 0.708 41.463 40.800 -0.075 0.000 0.984 1079 D HN 0.205 nan 8.370 nan 0.000 0.505 1080 S N 0.159 115.819 115.700 -0.066 0.000 2.702 1080 S HA 0.530 5.000 4.470 0.000 0.000 0.272 1080 S C -0.582 174.003 174.600 -0.025 0.000 1.068 1080 S CA -0.599 57.556 58.200 -0.075 0.000 0.964 1080 S CB 1.163 64.311 63.200 -0.087 0.000 1.307 1080 S HN 0.355 nan 8.310 nan 0.000 0.567 1081 N N -1.548 117.151 118.700 -0.000 0.000 2.825 1081 N HA 0.237 4.977 4.740 0.000 0.000 0.253 1081 N C -0.133 175.426 175.510 0.082 0.000 1.426 1081 N CA -0.640 52.449 53.050 0.066 0.000 0.851 1081 N CB 0.484 39.026 38.487 0.092 0.000 1.470 1081 N HN 0.492 nan 8.380 nan 0.000 0.517 1082 Y N 1.016 121.302 120.300 -0.022 0.000 2.081 1082 Y HA -0.122 4.428 4.550 0.000 0.000 0.280 1082 Y C 1.914 177.754 175.900 -0.101 0.000 1.163 1082 Y CA 1.715 59.745 58.100 -0.118 0.000 1.135 1082 Y CB -0.252 38.047 38.460 -0.268 0.000 0.970 1082 Y HN 0.576 nan 8.280 nan 0.000 0.498 1083 L N -0.096 121.074 121.223 -0.089 0.000 2.046 1083 L HA -0.226 4.114 4.340 0.000 0.000 0.208 1083 L C 2.529 179.486 176.870 0.144 0.000 1.077 1083 L CA 2.017 56.870 54.840 0.021 0.000 0.747 1083 L CB -0.710 41.496 42.059 0.245 0.000 0.896 1083 L HN 0.333 nan 8.230 nan 0.000 0.432 1084 E N 0.123 120.442 120.200 0.198 0.000 2.110 1084 E HA -0.191 4.159 4.350 0.000 0.000 0.193 1084 E C 2.168 178.775 176.600 0.013 0.000 0.988 1084 E CA 1.293 57.775 56.400 0.136 0.000 0.804 1084 E CB 0.178 29.876 29.700 -0.003 0.000 0.745 1084 E HN 0.254 nan 8.360 nan 0.000 0.458 1085 V N 0.208 120.080 119.914 -0.070 0.000 2.453 1085 V HA -0.256 3.864 4.120 0.000 0.000 0.247 1085 V C 2.443 178.421 176.094 -0.193 0.000 1.048 1085 V CA 1.346 63.581 62.300 -0.108 0.000 1.049 1085 V CB -0.271 31.482 31.823 -0.117 0.000 0.672 1085 V HN 0.539 nan 8.190 nan 0.000 0.457 1086 C N -0.906 118.199 119.300 -0.325 0.000 2.425 1086 C HA -0.178 4.282 4.460 0.000 0.000 0.277 1086 C C 2.613 177.457 174.990 -0.242 0.000 1.280 1086 C CA 1.150 59.967 59.018 -0.334 0.000 1.744 1086 C CB -0.957 26.573 27.740 -0.351 0.000 1.989 1086 C HN 0.702 nan 8.230 nan 0.000 0.491 1087 Y N 1.274 121.332 120.300 -0.404 0.000 2.242 1087 Y HA -0.079 4.471 4.550 0.000 0.000 0.291 1087 Y C 2.136 177.841 175.900 -0.324 0.000 1.137 1087 Y CA 1.487 59.195 58.100 -0.654 0.000 1.181 1087 Y CB -0.331 37.730 38.460 -0.665 0.000 0.989 1087 Y HN 0.290 nan 8.280 nan 0.000 0.527 1088 I N -0.575 120.012 120.570 0.028 0.000 2.315 1088 I HA -0.308 3.862 4.170 0.000 0.000 0.248 1088 I C 2.146 178.242 176.117 -0.035 0.000 1.117 1088 I CA 1.105 62.454 61.300 0.083 0.000 1.404 1088 I CB -0.354 37.760 38.000 0.190 0.000 1.071 1088 I HN 0.224 nan 8.210 nan 0.000 0.419 1089 L N 0.011 121.170 121.223 -0.107 0.000 2.093 1089 L HA -0.163 4.177 4.340 0.000 0.000 0.208 1089 L C 2.342 179.112 176.870 -0.167 0.000 1.085 1089 L CA 1.222 55.983 54.840 -0.133 0.000 0.755 1089 L CB -0.326 41.629 42.059 -0.173 0.000 0.904 1089 L HN 0.263 nan 8.230 nan 0.000 0.435 1090 L N -0.867 120.216 121.223 -0.234 0.000 2.307 1090 L HA 0.002 4.342 4.340 0.000 0.000 0.211 1090 L C 1.623 178.317 176.870 -0.292 0.000 1.099 1090 L CA 0.521 55.211 54.840 -0.251 0.000 0.816 1090 L CB -0.185 41.700 42.059 -0.291 0.000 0.952 1090 L HN 0.321 nan 8.230 nan 0.000 0.455 1091 N N -0.526 117.945 118.700 -0.383 0.000 2.197 1091 N HA 0.088 4.828 4.740 0.000 0.000 0.201 1091 N C 1.410 176.835 175.510 -0.142 0.000 1.148 1091 N CA 0.949 53.789 53.050 -0.349 0.000 0.883 1091 N CB 1.428 39.471 38.487 -0.740 0.000 1.012 1091 N HN 0.307 nan 8.380 nan 0.000 0.507 1092 G N 1.036 109.781 108.800 -0.092 0.000 2.245 1092 G HA2 -0.238 3.722 3.960 0.000 0.000 0.264 1092 G HA3 -0.238 3.722 3.960 0.000 0.000 0.264 1092 G C -0.043 174.866 174.900 0.015 0.000 0.985 1092 G CA 0.532 45.606 45.100 -0.043 0.000 0.625 1092 G HN 0.360 nan 8.290 nan 0.000 0.536 1093 E N -0.219 120.048 120.200 0.111 0.000 2.413 1093 E HA 0.364 4.714 4.350 0.000 0.000 0.277 1093 E C -0.209 176.578 176.600 0.312 0.000 0.958 1093 E CA -0.775 55.751 56.400 0.210 0.000 0.779 1093 E CB 1.262 31.050 29.700 0.146 0.000 1.278 1093 E HN 0.549 nan 8.360 nan 0.000 0.456 1094 K N 1.136 121.727 120.400 0.319 0.000 2.401 1094 K HA 0.302 4.622 4.320 0.000 0.000 0.278 1094 K C -2.139 174.472 176.600 0.018 0.000 1.018 1094 K CA -1.058 55.298 56.287 0.115 0.000 0.981 1094 K CB 0.022 32.491 32.500 -0.052 0.000 0.933 1094 K HN 0.102 nan 8.250 nan 0.000 0.477 1095 P HA 0.035 nan 4.420 nan 0.000 0.274 1095 P C -0.514 176.656 177.300 -0.217 0.000 1.246 1095 P CA -0.386 62.455 63.100 -0.432 0.000 0.795 1095 P CB 0.869 31.882 31.700 -1.145 0.000 1.006 1096 T N 0.827 115.293 114.554 -0.147 0.000 2.770 1096 T HA 0.040 4.391 4.350 0.000 0.000 0.281 1096 T C 1.352 176.015 174.700 -0.061 0.000 0.981 1096 T CA -0.037 62.021 62.100 -0.071 0.000 0.955 1096 T CB 0.405 69.261 68.868 -0.019 0.000 1.060 1096 T HN 0.397 nan 8.240 nan 0.000 0.531 1097 Q N 0.635 120.420 119.800 -0.026 0.000 2.083 1097 Q HA -0.123 4.217 4.340 0.000 0.000 0.198 1097 Q C 2.207 178.252 176.000 0.075 0.000 0.969 1097 Q CA 2.110 57.922 55.803 0.016 0.000 0.838 1097 Q CB -0.279 28.464 28.738 0.007 0.000 0.900 1097 Q HN 0.818 nan 8.270 nan 0.000 0.436 1098 E N -0.343 119.886 120.200 0.048 0.000 2.051 1098 E HA -0.261 4.089 4.350 0.000 0.000 0.192 1098 E C 1.994 178.641 176.600 0.077 0.000 0.991 1098 E CA 1.489 57.926 56.400 0.062 0.000 0.799 1098 E CB -0.427 29.302 29.700 0.048 0.000 0.748 1098 E HN 0.466 nan 8.360 nan 0.000 0.449 1099 Q N -0.351 119.481 119.800 0.052 0.000 2.050 1099 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 1099 Q C 2.095 178.121 176.000 0.044 0.000 0.980 1099 Q CA 1.843 57.685 55.803 0.065 0.000 0.840 1099 Q CB -0.431 28.303 28.738 -0.007 0.000 0.898 1099 Q HN 0.474 nan 8.270 nan 0.000 0.424 1100 Y N 2.043 122.219 120.300 -0.206 0.000 2.089 1100 Y HA -0.242 4.308 4.550 0.000 0.000 0.282 1100 Y C 1.701 177.659 175.900 0.097 0.000 1.139 1100 Y CA 1.879 59.893 58.100 -0.143 0.000 1.123 1100 Y CB -0.205 38.139 38.460 -0.193 0.000 0.980 1100 Y HN 0.055 nan 8.280 nan 0.000 0.493 1101 D N 0.336 120.821 120.400 0.142 0.000 2.158 1101 D HA -0.225 4.415 4.640 0.000 0.000 0.197 1101 D C 2.060 178.365 176.300 0.008 0.000 0.995 1101 D CA 1.660 55.688 54.000 0.048 0.000 0.846 1101 D CB -0.368 40.511 40.800 0.132 0.000 0.941 1101 D HN 0.660 nan 8.370 nan 0.000 0.456 1102 E N -0.512 119.733 120.200 0.075 0.000 2.028 1102 E HA -0.186 4.164 4.350 0.000 0.000 0.191 1102 E C 2.073 178.753 176.600 0.134 0.000 0.988 1102 E CA 0.518 56.976 56.400 0.096 0.000 0.799 1102 E CB -0.274 29.506 29.700 0.134 0.000 0.755 1102 E HN 0.215 nan 8.360 nan 0.000 0.447 1103 F N 2.192 122.179 119.950 0.063 0.000 2.043 1103 F HA -0.251 4.276 4.527 0.000 0.000 0.297 1103 F C 2.454 178.297 175.800 0.072 0.000 1.121 1103 F CA 2.358 60.463 58.000 0.175 0.000 1.199 1103 F CB -0.405 38.771 39.000 0.294 0.000 0.968 1103 F HN -0.066 nan 8.300 nan 0.000 0.478 1104 K N -0.493 119.860 120.400 -0.078 0.000 2.015 1104 K HA -0.236 4.084 4.320 0.000 0.000 0.216 1104 K C 2.064 178.596 176.600 -0.113 0.000 1.052 1104 K CA 2.467 58.636 56.287 -0.198 0.000 0.937 1104 K CB -0.747 31.544 32.500 -0.349 0.000 0.719 1104 K HN 0.308 nan 8.250 nan 0.000 0.446 1105 T N 0.490 114.998 114.554 -0.076 0.000 2.624 1105 T HA -0.191 4.159 4.350 0.000 0.000 0.268 1105 T C 1.821 176.481 174.700 -0.067 0.000 1.041 1105 T CA 2.289 64.357 62.100 -0.054 0.000 1.159 1105 T CB -0.632 68.216 68.868 -0.033 0.000 0.863 1105 T HN 0.441 nan 8.240 nan 0.000 0.434 1106 T N 1.584 116.091 114.554 -0.078 0.000 2.759 1106 T HA -0.096 4.254 4.350 0.000 0.000 0.269 1106 T C 2.103 176.819 174.700 0.027 0.000 1.042 1106 T CA 1.120 63.170 62.100 -0.083 0.000 1.140 1106 T CB -0.499 68.173 68.868 -0.326 0.000 0.864 1106 T HN 0.191 nan 8.240 nan 0.000 0.455 1107 V N 2.098 121.994 119.914 -0.029 0.000 2.427 1107 V HA -0.148 3.972 4.120 0.000 0.000 0.248 1107 V C 2.932 179.047 176.094 0.036 0.000 1.051 1107 V CA 2.044 64.361 62.300 0.028 0.000 1.048 1107 V CB -1.200 30.577 31.823 -0.076 0.000 0.666 1107 V HN 0.725 nan 8.190 nan 0.000 0.456 1108 T N -1.594 112.954 114.554 -0.011 0.000 3.023 1108 T HA -0.098 4.252 4.350 0.000 0.000 0.266 1108 T C 1.782 176.433 174.700 -0.082 0.000 1.093 1108 T CA 0.610 62.695 62.100 -0.024 0.000 1.129 1108 T CB -0.297 68.559 68.868 -0.019 0.000 0.899 1108 T HN 0.428 nan 8.240 nan 0.000 0.491 1109 R N 0.460 120.857 120.500 -0.171 0.000 2.313 1109 R HA 0.113 4.453 4.340 0.000 0.000 0.199 1109 R C 0.721 176.637 176.300 -0.640 0.000 0.958 1109 R CA 0.592 56.456 56.100 -0.394 0.000 1.047 1109 R CB -0.017 29.978 30.300 -0.508 0.000 0.955 1109 R HN 0.591 nan 8.270 nan 0.000 0.481 1110 H N -0.962 118.101 119.070 -0.011 0.000 2.750 1110 H HA 0.084 4.640 4.556 0.000 0.000 0.252 1110 H C 0.936 176.269 175.328 0.008 0.000 1.176 1110 H CA 0.168 56.216 56.048 0.000 0.000 0.987 1110 H CB 0.889 30.642 29.762 -0.014 0.000 1.810 1110 H HN 0.129 nan 8.280 nan 0.000 0.630 1111 T N -1.893 112.697 114.554 0.059 0.000 3.160 1111 T HA 0.130 4.480 4.350 0.000 0.000 0.257 1111 T C 0.929 175.656 174.700 0.046 0.000 1.147 1111 T CA 0.091 62.214 62.100 0.038 0.000 1.064 1111 T CB 0.045 68.913 68.868 -0.001 0.000 0.949 1111 T HN 0.086 nan 8.240 nan 0.000 0.526 1112 M N 1.697 121.344 119.600 0.079 0.000 2.342 1112 M HA 0.519 4.999 4.480 0.000 0.000 0.332 1112 M C -0.571 175.811 176.300 0.135 0.000 1.166 1112 M CA -1.266 54.099 55.300 0.108 0.000 1.086 1112 M CB 1.243 33.921 32.600 0.131 0.000 1.541 1112 M HN 0.107 nan 8.290 nan 0.000 0.462 1113 I N -1.429 119.212 120.570 0.118 0.000 2.412 1113 I HA 0.384 4.554 4.170 0.000 0.000 0.296 1113 I C -0.055 176.159 176.117 0.162 0.000 0.987 1113 I CA -0.686 60.708 61.300 0.155 0.000 1.180 1113 I CB 0.591 38.634 38.000 0.072 0.000 1.340 1113 I HN 0.530 nan 8.210 nan 0.000 0.455 1114 H N 3.288 122.401 119.070 0.071 0.000 3.173 1114 H HA -0.096 4.460 4.556 0.000 0.000 0.311 1114 H C 1.319 176.652 175.328 0.007 0.000 0.972 1114 H CA 1.290 57.333 56.048 -0.007 0.000 1.384 1114 H CB 0.753 30.401 29.762 -0.189 0.000 1.349 1114 H HN 0.885 nan 8.280 nan 0.000 0.582 1115 E N 2.901 123.017 120.200 -0.140 0.000 2.219 1115 E HA -0.349 4.002 4.350 0.000 0.000 0.198 1115 E C 1.563 178.233 176.600 0.115 0.000 0.998 1115 E CA 1.365 57.764 56.400 -0.002 0.000 0.818 1115 E CB 0.106 29.771 29.700 -0.057 0.000 0.741 1115 E HN 0.736 nan 8.360 nan 0.000 0.477 1116 Q N 0.364 120.327 119.800 0.271 0.000 2.378 1116 Q HA 0.022 4.362 4.340 0.000 0.000 0.205 1116 Q C 1.645 177.776 176.000 0.217 0.000 0.954 1116 Q CA 0.876 56.900 55.803 0.369 0.000 0.901 1116 Q CB 0.028 29.149 28.738 0.639 0.000 0.981 1116 Q HN 0.485 nan 8.270 nan 0.000 0.483 1117 I N -0.828 119.743 120.570 0.002 0.000 3.059 1117 I HA -0.114 4.056 4.170 0.000 0.000 0.270 1117 I C 1.453 177.675 176.117 0.176 0.000 1.238 1117 I CA 0.719 61.918 61.300 -0.168 0.000 1.478 1117 I CB -0.053 37.728 38.000 -0.365 0.000 1.097 1117 I HN 0.096 nan 8.210 nan 0.000 0.455 1118 T N 0.712 115.401 114.554 0.225 0.000 2.788 1118 T HA -0.112 4.238 4.350 0.000 0.000 0.268 1118 T C 2.029 176.994 174.700 0.442 0.000 1.044 1118 T CA 1.051 63.346 62.100 0.325 0.000 1.139 1118 T CB -0.101 68.932 68.868 0.275 0.000 0.867 1118 T HN 0.186 nan 8.240 nan 0.000 0.454 1119 R N 0.840 121.549 120.500 0.348 0.000 2.092 1119 R HA 0.124 4.464 4.340 0.000 0.000 0.231 1119 R C 2.297 178.784 176.300 0.312 0.000 1.119 1119 R CA 0.577 56.883 56.100 0.342 0.000 0.970 1119 R CB -1.422 29.017 30.300 0.232 0.000 0.864 1119 R HN 0.320 nan 8.270 nan 0.000 0.440 1120 L N 0.426 121.797 121.223 0.247 0.000 1.971 1120 L HA -0.146 4.194 4.340 0.000 0.000 0.215 1120 L C 2.009 179.031 176.870 0.253 0.000 1.072 1120 L CA 1.671 56.629 54.840 0.197 0.000 0.758 1120 L CB -0.844 41.270 42.059 0.091 0.000 0.889 1120 L HN -0.018 nan 8.230 nan 0.000 0.433 1121 F N -0.194 119.768 119.950 0.020 0.000 2.063 1121 F HA -0.367 4.160 4.527 0.000 0.000 0.298 1121 F C 2.732 178.341 175.800 -0.319 0.000 1.105 1121 F CA 2.268 60.103 58.000 -0.274 0.000 1.215 1121 F CB -0.897 37.783 39.000 -0.533 0.000 0.972 1121 F HN 0.308 nan 8.300 nan 0.000 0.483 1122 H N -0.884 118.266 119.070 0.134 0.000 2.489 1122 H HA -0.058 4.499 4.556 0.000 0.000 0.295 1122 H C 2.167 177.661 175.328 0.275 0.000 1.082 1122 H CA 1.134 57.328 56.048 0.244 0.000 1.295 1122 H CB -0.529 29.378 29.762 0.241 0.000 1.380 1122 H HN 0.305 nan 8.280 nan 0.000 0.548 1123 A N 0.447 123.441 122.820 0.291 0.000 2.206 1123 A HA 0.044 4.364 4.320 0.000 0.000 0.211 1123 A C 0.525 178.115 177.584 0.010 0.000 1.158 1123 A CA 0.033 52.137 52.037 0.112 0.000 0.761 1123 A CB -0.433 18.558 19.000 -0.015 0.000 0.801 1123 A HN 0.026 nan 8.150 nan 0.000 0.473 1124 F N 0.072 120.093 119.950 0.118 0.000 2.368 1124 F HA 0.458 4.985 4.527 0.000 0.000 0.315 1124 F C 1.156 177.112 175.800 0.260 0.000 1.145 1124 F CA -0.616 57.468 58.000 0.141 0.000 1.095 1124 F CB 0.708 39.758 39.000 0.083 0.000 1.286 1124 F HN 0.004 nan 8.300 nan 0.000 0.530 1125 R N 0.826 121.554 120.500 0.382 0.000 2.615 1125 R HA 0.272 4.613 4.340 0.000 0.000 0.270 1125 R C 1.045 177.518 176.300 0.289 0.000 1.081 1125 R CA -0.717 55.540 56.100 0.262 0.000 1.154 1125 R CB 0.624 31.027 30.300 0.172 0.000 1.063 1125 R HN 0.494 nan 8.270 nan 0.000 0.519 1126 R N 1.313 121.880 120.500 0.111 0.000 2.193 1126 R HA -0.081 4.259 4.340 0.000 0.000 0.213 1126 R C 0.608 176.914 176.300 0.010 0.000 1.055 1126 R CA 1.222 57.294 56.100 -0.046 0.000 0.995 1126 R CB -0.151 30.046 30.300 -0.172 0.000 0.893 1126 R HN 0.726 nan 8.270 nan 0.000 0.459 1127 D N -0.854 119.578 120.400 0.053 0.000 2.328 1127 D HA 0.025 4.665 4.640 0.000 0.000 0.221 1127 D C -0.095 176.262 176.300 0.095 0.000 1.072 1127 D CA -0.171 53.859 54.000 0.050 0.000 0.850 1127 D CB 0.196 41.021 40.800 0.042 0.000 0.922 1127 D HN -0.279 nan 8.370 nan 0.000 0.516 1128 S N -0.245 115.544 115.700 0.148 0.000 2.585 1128 S HA 0.062 4.532 4.470 0.000 0.000 0.273 1128 S C -0.168 174.532 174.600 0.166 0.000 1.339 1128 S CA -0.540 57.777 58.200 0.196 0.000 1.028 1128 S CB 0.351 63.717 63.200 0.276 0.000 0.906 1128 S HN 0.482 nan 8.310 nan 0.000 0.528 1129 H N 2.386 121.528 119.070 0.120 0.000 2.764 1129 H HA 0.168 4.724 4.556 0.000 0.000 0.341 1129 H C -1.851 173.469 175.328 -0.013 0.000 1.072 1129 H CA -1.461 54.639 56.048 0.087 0.000 1.444 1129 H CB 0.809 30.684 29.762 0.190 0.000 1.458 1129 H HN 0.295 nan 8.280 nan 0.000 0.572 1130 P HA -0.160 nan 4.420 nan 0.000 0.223 1130 P C 0.991 178.280 177.300 -0.019 0.000 1.144 1130 P CA 0.992 64.081 63.100 -0.019 0.000 0.783 1130 P CB 0.152 31.824 31.700 -0.048 0.000 0.771 1131 M N -0.791 118.869 119.600 0.099 0.000 2.248 1131 M HA 0.114 4.594 4.480 0.000 0.000 0.265 1131 M C 1.916 177.880 176.300 -0.559 0.000 1.079 1131 M CA 1.253 56.273 55.300 -0.468 0.000 1.150 1131 M CB -1.013 30.833 32.600 -1.257 0.000 1.366 1131 M HN -0.168 nan 8.290 nan 0.000 0.433 1132 A N -0.690 121.913 122.820 -0.362 0.000 1.877 1132 A HA -0.101 4.219 4.320 0.000 0.000 0.216 1132 A C 2.117 179.610 177.584 -0.151 0.000 1.186 1132 A CA 2.031 54.010 52.037 -0.097 0.000 0.620 1132 A CB -1.292 17.805 19.000 0.160 0.000 0.822 1132 A HN 0.345 nan 8.150 nan 0.000 0.443 1133 V N -0.580 119.187 119.914 -0.246 0.000 2.287 1133 V HA -0.319 3.801 4.120 0.000 0.000 0.248 1133 V C 2.567 178.337 176.094 -0.540 0.000 1.053 1133 V CA 2.408 64.327 62.300 -0.634 0.000 1.027 1133 V CB -0.719 30.799 31.823 -0.508 0.000 0.646 1133 V HN 0.626 nan 8.190 nan 0.000 0.447 1134 M N -0.219 119.184 119.600 -0.329 0.000 2.106 1134 M HA -0.208 4.272 4.480 0.000 0.000 0.259 1134 M C 2.104 178.270 176.300 -0.222 0.000 1.068 1134 M CA 2.028 57.177 55.300 -0.251 0.000 1.100 1134 M CB -1.068 31.413 32.600 -0.199 0.000 1.351 1134 M HN 0.444 nan 8.290 nan 0.000 0.404 1135 C N -0.718 118.459 119.300 -0.205 0.000 2.453 1135 C HA 0.017 4.477 4.460 0.000 0.000 0.277 1135 C C 2.724 177.665 174.990 -0.082 0.000 1.262 1135 C CA 0.799 59.751 59.018 -0.110 0.000 1.718 1135 C CB -1.940 25.772 27.740 -0.047 0.000 2.031 1135 C HN 0.741 nan 8.230 nan 0.000 0.480 1136 G N 0.947 109.693 108.800 -0.090 0.000 2.476 1136 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 1136 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 1136 G C 1.381 176.236 174.900 -0.075 0.000 1.164 1136 G CA 0.937 46.047 45.100 0.017 0.000 0.768 1136 G HN 0.404 nan 8.290 nan 0.000 0.560 1137 I N 1.286 121.668 120.570 -0.313 0.000 2.252 1137 I HA -0.091 4.079 4.170 0.000 0.000 0.245 1137 I C 2.841 178.852 176.117 -0.178 0.000 1.102 1137 I CA 1.466 62.545 61.300 -0.367 0.000 1.385 1137 I CB -1.505 36.071 38.000 -0.707 0.000 1.064 1137 I HN 0.119 nan 8.210 nan 0.000 0.414 1138 T N 0.651 115.134 114.554 -0.118 0.000 2.904 1138 T HA -0.041 4.309 4.350 0.000 0.000 0.267 1138 T C 1.826 176.546 174.700 0.033 0.000 1.059 1138 T CA 1.285 63.375 62.100 -0.016 0.000 1.137 1138 T CB -0.483 68.385 68.868 -0.000 0.000 0.879 1138 T HN 0.514 nan 8.240 nan 0.000 0.467 1139 G N 0.417 109.226 108.800 0.016 0.000 2.650 1139 G HA2 0.222 4.182 3.960 0.000 0.000 0.214 1139 G HA3 0.222 4.182 3.960 0.000 0.000 0.214 1139 G C 1.317 176.253 174.900 0.060 0.000 1.136 1139 G CA 0.570 45.698 45.100 0.047 0.000 0.789 1139 G HN 0.556 nan 8.290 nan 0.000 0.536 1140 A N -0.058 122.792 122.820 0.049 0.000 2.348 1140 A HA 0.463 4.783 4.320 0.000 0.000 0.224 1140 A C 1.953 179.619 177.584 0.136 0.000 1.227 1140 A CA -0.237 51.861 52.037 0.102 0.000 0.885 1140 A CB -0.016 19.061 19.000 0.128 0.000 0.933 1140 A HN 0.277 nan 8.150 nan 0.000 0.506 1141 L N -0.835 120.394 121.223 0.009 0.000 2.362 1141 L HA -0.140 4.200 4.340 0.000 0.000 0.219 1141 L C 2.765 179.503 176.870 -0.221 0.000 1.134 1141 L CA 0.893 55.658 54.840 -0.124 0.000 0.807 1141 L CB -0.314 41.570 42.059 -0.291 0.000 0.927 1141 L HN 0.476 nan 8.230 nan 0.000 0.447 1142 A N -0.010 122.760 122.820 -0.084 0.000 2.016 1142 A HA 0.017 4.337 4.320 0.000 0.000 0.217 1142 A C 2.441 180.040 177.584 0.026 0.000 1.162 1142 A CA 1.193 53.221 52.037 -0.015 0.000 0.662 1142 A CB -0.324 18.742 19.000 0.110 0.000 0.812 1142 A HN 0.350 nan 8.150 nan 0.000 0.450 1143 A N -1.669 121.164 122.820 0.022 0.000 2.168 1143 A HA 0.296 4.616 4.320 0.000 0.000 0.215 1143 A C 1.515 178.890 177.584 -0.348 0.000 1.152 1143 A CA 0.896 52.841 52.037 -0.152 0.000 0.716 1143 A CB -0.428 18.426 19.000 -0.243 0.000 0.794 1143 A HN 0.437 nan 8.150 nan 0.000 0.465 1144 F N -2.394 117.432 119.950 -0.206 0.000 2.468 1144 F HA 0.239 4.766 4.527 0.000 0.000 0.250 1144 F C 0.415 175.967 175.800 -0.413 0.000 0.990 1144 F CA -0.229 57.536 58.000 -0.392 0.000 1.043 1144 F CB -0.806 37.792 39.000 -0.669 0.000 1.184 1144 F HN 0.045 nan 8.300 nan 0.000 0.690 1145 Y N 2.416 122.665 120.300 -0.084 0.000 2.823 1145 Y HA 0.006 4.556 4.550 0.000 0.000 0.345 1145 Y C 0.887 176.715 175.900 -0.120 0.000 1.154 1145 Y CA -0.226 57.761 58.100 -0.187 0.000 2.010 1145 Y CB -1.935 36.372 38.460 -0.255 0.000 2.099 1145 Y HN 0.238 nan 8.280 nan 0.000 0.409 1146 H N -1.868 117.230 119.070 0.047 0.000 2.645 1146 H HA 0.157 4.713 4.556 0.000 0.000 0.300 1146 H C -0.144 175.238 175.328 0.089 0.000 1.065 1146 H CA -0.390 55.693 56.048 0.059 0.000 1.173 1146 H CB -0.432 29.328 29.762 -0.004 0.000 1.383 1146 H HN 0.365 nan 8.280 nan 0.000 0.566 1147 D N -0.404 120.021 120.400 0.042 0.000 2.501 1147 D HA 0.059 4.699 4.640 0.000 0.000 0.224 1147 D C 0.270 176.542 176.300 -0.046 0.000 1.202 1147 D CA 0.023 54.036 54.000 0.022 0.000 0.829 1147 D CB -0.226 40.524 40.800 -0.083 0.000 1.023 1147 D HN 0.365 nan 8.370 nan 0.000 0.499 1148 S N -0.395 115.395 115.700 0.150 0.000 2.745 1148 S HA 0.215 4.685 4.470 0.000 0.000 0.232 1148 S C 0.479 175.299 174.600 0.368 0.000 0.804 1148 S CA -0.613 57.712 58.200 0.208 0.000 1.071 1148 S CB -1.116 62.149 63.200 0.109 0.000 1.480 1148 S HN 0.152 nan 8.310 nan 0.000 0.467 1149 L N 0.204 121.656 121.223 0.382 0.000 2.640 1149 L HA 0.351 4.691 4.340 0.000 0.000 0.230 1149 L C -0.584 176.426 176.870 0.234 0.000 1.123 1149 L CA -0.209 54.809 54.840 0.296 0.000 0.900 1149 L CB -0.243 41.972 42.059 0.260 0.000 1.146 1149 L HN 0.209 nan 8.230 nan 0.000 0.484 1150 D N 1.514 122.052 120.400 0.230 0.000 2.455 1150 D HA 0.033 4.673 4.640 0.000 0.000 0.234 1150 D C 1.653 177.962 176.300 0.015 0.000 1.224 1150 D CA 0.064 54.072 54.000 0.014 0.000 0.999 1150 D CB 0.967 41.558 40.800 -0.348 0.000 1.072 1150 D HN -0.018 nan 8.370 nan 0.000 0.514 1151 V N 0.582 120.543 119.914 0.079 0.000 2.568 1151 V HA -0.285 3.835 4.120 0.000 0.000 0.253 1151 V C 1.106 177.142 176.094 -0.097 0.000 1.072 1151 V CA 1.375 63.674 62.300 -0.002 0.000 1.084 1151 V CB -0.774 31.160 31.823 0.185 0.000 0.676 1151 V HN 0.293 nan 8.190 nan 0.000 0.469 1152 N N 1.272 119.968 118.700 -0.008 0.000 2.449 1152 N HA 0.052 4.792 4.740 0.000 0.000 0.191 1152 N C 0.493 175.972 175.510 -0.052 0.000 1.161 1152 N CA 0.300 53.347 53.050 -0.006 0.000 0.863 1152 N CB -0.230 38.257 38.487 0.001 0.000 0.980 1152 N HN 0.763 nan 8.380 nan 0.000 0.458 1153 N N 0.700 119.348 118.700 -0.087 0.000 2.511 1153 N HA 0.188 4.928 4.740 0.000 0.000 0.249 1153 N C -2.213 173.307 175.510 0.018 0.000 0.971 1153 N CA -2.213 50.791 53.050 -0.077 0.000 0.938 1153 N CB 1.375 39.703 38.487 -0.266 0.000 1.131 1153 N HN -0.210 nan 8.380 nan 0.000 0.505 1154 P HA -0.184 nan 4.420 nan 0.000 0.220 1154 P C 1.042 178.404 177.300 0.102 0.000 1.144 1154 P CA 0.982 64.111 63.100 0.048 0.000 0.800 1154 P CB 0.177 31.896 31.700 0.032 0.000 0.772 1155 R N -1.130 119.452 120.500 0.137 0.000 2.055 1155 R HA -0.138 4.202 4.340 0.000 0.000 0.228 1155 R C 2.095 178.518 176.300 0.204 0.000 1.143 1155 R CA 1.465 57.663 56.100 0.164 0.000 0.945 1155 R CB -0.678 29.739 30.300 0.194 0.000 0.841 1155 R HN 0.180 nan 8.270 nan 0.000 0.429 1156 H N 0.240 119.345 119.070 0.058 0.000 2.290 1156 H HA -0.066 4.490 4.556 0.000 0.000 0.298 1156 H C 2.265 177.643 175.328 0.084 0.000 1.087 1156 H CA 2.040 58.131 56.048 0.073 0.000 1.291 1156 H CB -0.188 29.622 29.762 0.081 0.000 1.369 1156 H HN 0.185 nan 8.280 nan 0.000 0.492 1157 R N 0.135 120.781 120.500 0.243 0.000 2.096 1157 R HA -0.199 4.141 4.340 0.000 0.000 0.240 1157 R C 2.326 178.744 176.300 0.198 0.000 1.139 1157 R CA 1.739 57.990 56.100 0.252 0.000 0.952 1157 R CB -0.242 30.159 30.300 0.169 0.000 0.854 1157 R HN 0.489 nan 8.270 nan 0.000 0.436 1158 E N 0.765 121.071 120.200 0.178 0.000 2.153 1158 E HA -0.163 4.187 4.350 0.000 0.000 0.194 1158 E C 1.841 178.602 176.600 0.268 0.000 0.988 1158 E CA 1.038 57.569 56.400 0.219 0.000 0.811 1158 E CB 0.005 29.835 29.700 0.217 0.000 0.746 1158 E HN 0.329 nan 8.360 nan 0.000 0.466 1159 I N 0.645 121.302 120.570 0.146 0.000 2.235 1159 I HA -0.162 4.008 4.170 0.000 0.000 0.241 1159 I C 2.609 178.754 176.117 0.047 0.000 1.085 1159 I CA 0.783 62.125 61.300 0.071 0.000 1.378 1159 I CB -0.511 37.474 38.000 -0.026 0.000 1.076 1159 I HN 0.195 nan 8.210 nan 0.000 0.415 1160 A N 1.137 123.959 122.820 0.004 0.000 1.927 1160 A HA -0.301 4.019 4.320 0.000 0.000 0.220 1160 A C 2.519 179.959 177.584 -0.240 0.000 1.185 1160 A CA 2.459 54.404 52.037 -0.154 0.000 0.639 1160 A CB -0.990 17.836 19.000 -0.291 0.000 0.820 1160 A HN 0.482 nan 8.150 nan 0.000 0.451 1161 A N -1.362 121.372 122.820 -0.144 0.000 1.845 1161 A HA -0.012 4.308 4.320 0.000 0.000 0.215 1161 A C 1.964 179.475 177.584 -0.122 0.000 1.195 1161 A CA 1.590 53.528 52.037 -0.165 0.000 0.616 1161 A CB -0.871 18.067 19.000 -0.104 0.000 0.832 1161 A HN 0.469 nan 8.150 nan 0.000 0.443 1162 F N 0.070 119.973 119.950 -0.079 0.000 2.192 1162 F HA -0.189 4.339 4.527 0.000 0.000 0.301 1162 F C 2.566 178.308 175.800 -0.097 0.000 1.079 1162 F CA 1.879 59.825 58.000 -0.091 0.000 1.303 1162 F CB -0.208 38.723 39.000 -0.116 0.000 1.024 1162 F HN 0.143 nan 8.300 nan 0.000 0.494 1163 R N -0.249 120.283 120.500 0.053 0.000 2.092 1163 R HA -0.114 4.226 4.340 0.000 0.000 0.231 1163 R C 2.187 178.489 176.300 0.005 0.000 1.119 1163 R CA 1.201 57.289 56.100 -0.020 0.000 0.970 1163 R CB -0.497 29.743 30.300 -0.099 0.000 0.864 1163 R HN 0.305 nan 8.270 nan 0.000 0.440 1164 L N 0.082 121.299 121.223 -0.011 0.000 2.017 1164 L HA -0.198 4.142 4.340 0.000 0.000 0.208 1164 L C 2.282 179.176 176.870 0.041 0.000 1.073 1164 L CA 0.826 55.670 54.840 0.007 0.000 0.745 1164 L CB -0.431 41.585 42.059 -0.070 0.000 0.894 1164 L HN 0.165 nan 8.230 nan 0.000 0.432 1165 L N -0.688 120.552 121.223 0.028 0.000 2.079 1165 L HA -0.205 4.135 4.340 0.000 0.000 0.210 1165 L C 2.601 179.574 176.870 0.171 0.000 1.081 1165 L CA 1.714 56.613 54.840 0.099 0.000 0.752 1165 L CB -0.418 41.639 42.059 -0.003 0.000 0.896 1165 L HN 0.120 nan 8.230 nan 0.000 0.433 1166 S N -0.917 114.850 115.700 0.112 0.000 2.371 1166 S HA -0.110 4.360 4.470 0.000 0.000 0.224 1166 S C 1.823 176.447 174.600 0.041 0.000 1.029 1166 S CA 1.199 59.458 58.200 0.098 0.000 0.978 1166 S CB -0.073 63.199 63.200 0.120 0.000 0.833 1166 S HN 0.446 nan 8.310 nan 0.000 0.466 1167 K N 0.497 120.919 120.400 0.037 0.000 2.262 1167 K HA 0.194 4.514 4.320 0.000 0.000 0.200 1167 K C 1.964 178.569 176.600 0.009 0.000 1.049 1167 K CA 0.362 56.659 56.287 0.018 0.000 0.979 1167 K CB -0.119 32.391 32.500 0.018 0.000 0.773 1167 K HN 0.199 nan 8.250 nan 0.000 0.474 1168 M N 0.908 120.524 119.600 0.026 0.000 2.089 1168 M HA -0.133 4.348 4.480 0.000 0.000 0.257 1168 M C -0.844 175.437 176.300 -0.032 0.000 1.071 1168 M CA 1.955 57.264 55.300 0.015 0.000 1.096 1168 M CB -1.952 30.673 32.600 0.042 0.000 1.330 1168 M HN -0.063 nan 8.290 nan 0.000 0.403 1169 P HA -0.062 nan 4.420 nan 0.000 0.216 1169 P C 1.512 178.826 177.300 0.022 0.000 1.153 1169 P CA 1.432 64.466 63.100 -0.109 0.000 0.848 1169 P CB -0.257 31.264 31.700 -0.298 0.000 0.787 1170 T N -0.419 114.108 114.554 -0.046 0.000 2.684 1170 T HA -0.204 4.146 4.350 0.000 0.000 0.267 1170 T C 1.772 176.401 174.700 -0.119 0.000 1.036 1170 T CA 1.416 63.464 62.100 -0.086 0.000 1.148 1170 T CB -0.798 68.020 68.868 -0.084 0.000 0.863 1170 T HN 0.104 nan 8.240 nan 0.000 0.436 1171 M N 0.978 120.545 119.600 -0.054 0.000 2.067 1171 M HA -0.099 4.381 4.480 0.000 0.000 0.260 1171 M C 2.535 178.834 176.300 -0.000 0.000 1.069 1171 M CA 1.935 57.234 55.300 -0.000 0.000 1.117 1171 M CB -0.374 32.246 32.600 0.033 0.000 1.334 1171 M HN 0.310 nan 8.290 nan 0.000 0.407 1172 A N 0.288 123.119 122.820 0.019 0.000 1.883 1172 A HA -0.115 4.205 4.320 0.000 0.000 0.217 1172 A C 2.293 179.933 177.584 0.092 0.000 1.186 1172 A CA 2.161 54.235 52.037 0.063 0.000 0.624 1172 A CB -1.283 17.755 19.000 0.063 0.000 0.822 1172 A HN 0.683 nan 8.150 nan 0.000 0.444 1173 A N -0.876 122.004 122.820 0.100 0.000 1.969 1173 A HA -0.071 4.249 4.320 0.000 0.000 0.218 1173 A C 2.212 179.710 177.584 -0.144 0.000 1.169 1173 A CA 1.716 53.709 52.037 -0.074 0.000 0.635 1173 A CB -0.523 18.343 19.000 -0.225 0.000 0.810 1173 A HN 0.539 nan 8.150 nan 0.000 0.445 1174 M N -1.137 118.270 119.600 -0.322 0.000 2.296 1174 M HA -0.159 4.322 4.480 0.000 0.000 0.265 1174 M C 2.138 178.158 176.300 -0.467 0.000 1.064 1174 M CA 0.943 55.794 55.300 -0.748 0.000 1.109 1174 M CB -0.551 31.162 32.600 -1.479 0.000 1.396 1174 M HN 0.554 nan 8.290 nan 0.000 0.430 1175 C N -0.928 118.303 119.300 -0.115 0.000 2.440 1175 C HA -0.166 4.294 4.460 0.000 0.000 0.278 1175 C C 2.574 177.622 174.990 0.097 0.000 1.295 1175 C CA 0.527 59.585 59.018 0.066 0.000 1.738 1175 C CB -0.988 26.786 27.740 0.057 0.000 1.987 1175 C HN 0.563 nan 8.230 nan 0.000 0.492 1176 Y N 2.183 122.448 120.300 -0.057 0.000 2.089 1176 Y HA -0.198 4.352 4.550 0.000 0.000 0.282 1176 Y C 2.449 178.332 175.900 -0.027 0.000 1.139 1176 Y CA 1.631 59.690 58.100 -0.069 0.000 1.123 1176 Y CB -0.222 38.142 38.460 -0.160 0.000 0.980 1176 Y HN 0.057 nan 8.280 nan 0.000 0.493 1177 K N -0.223 120.077 120.400 -0.166 0.000 2.160 1177 K HA -0.269 4.051 4.320 0.000 0.000 0.206 1177 K C 1.958 178.549 176.600 -0.015 0.000 1.047 1177 K CA 1.854 58.047 56.287 -0.156 0.000 0.930 1177 K CB -1.007 31.555 32.500 0.102 0.000 0.720 1177 K HN 0.556 nan 8.250 nan 0.000 0.450 1178 Y N 1.670 122.004 120.300 0.056 0.000 2.314 1178 Y HA -0.198 4.352 4.550 0.000 0.000 0.293 1178 Y C 2.529 178.404 175.900 -0.041 0.000 1.129 1178 Y CA 1.532 59.678 58.100 0.075 0.000 1.201 1178 Y CB 0.064 38.641 38.460 0.195 0.000 0.999 1178 Y HN 0.164 nan 8.280 nan 0.000 0.541 1179 S N 0.178 115.871 115.700 -0.012 0.000 2.453 1179 S HA -0.144 4.326 4.470 0.000 0.000 0.231 1179 S C 1.553 176.032 174.600 -0.203 0.000 1.005 1179 S CA 1.174 59.317 58.200 -0.096 0.000 0.949 1179 S CB -0.969 62.202 63.200 -0.049 0.000 0.774 1179 S HN 0.653 nan 8.310 nan 0.000 0.510 1180 I N -3.719 116.667 120.570 -0.306 0.000 4.139 1180 I HA 0.577 4.748 4.170 0.000 0.000 0.335 1180 I C 1.274 177.249 176.117 -0.237 0.000 1.327 1180 I CA 0.106 61.231 61.300 -0.293 0.000 1.112 1180 I CB 0.059 37.800 38.000 -0.432 0.000 1.058 1180 I HN 0.325 nan 8.210 nan 0.000 0.396 1181 G N 1.777 110.426 108.800 -0.252 0.000 2.142 1181 G HA2 -0.198 3.762 3.960 0.000 0.000 0.225 1181 G HA3 -0.198 3.762 3.960 0.000 0.000 0.225 1181 G C -0.231 174.557 174.900 -0.188 0.000 1.015 1181 G CA -0.131 44.836 45.100 -0.222 0.000 0.716 1181 G HN 0.585 nan 8.290 nan 0.000 0.508 1182 Q N 0.232 119.914 119.800 -0.196 0.000 2.301 1182 Q HA 0.528 4.869 4.340 0.000 0.000 0.267 1182 Q C -2.354 173.536 176.000 -0.184 0.000 1.035 1182 Q CA -2.057 53.650 55.803 -0.161 0.000 0.856 1182 Q CB 2.581 31.233 28.738 -0.143 0.000 1.337 1182 Q HN 0.268 nan 8.270 nan 0.000 0.450 1183 P HA 0.039 nan 4.420 nan 0.000 0.269 1183 P C -0.896 176.316 177.300 -0.147 0.000 1.215 1183 P CA -0.009 62.945 63.100 -0.243 0.000 0.780 1183 P CB 0.427 32.039 31.700 -0.146 0.000 0.898 1184 F N 0.396 120.234 119.950 -0.187 0.000 2.459 1184 F HA 0.165 4.692 4.527 0.000 0.000 0.346 1184 F C 0.923 176.536 175.800 -0.311 0.000 1.128 1184 F CA -0.694 57.129 58.000 -0.294 0.000 1.268 1184 F CB -0.043 38.713 39.000 -0.406 0.000 1.161 1184 F HN -0.024 nan 8.300 nan 0.000 0.583 1185 V N 3.344 123.189 119.914 -0.115 0.000 2.459 1185 V HA 0.271 4.391 4.120 0.000 0.000 0.295 1185 V C -0.671 175.292 176.094 -0.218 0.000 1.029 1185 V CA -1.033 61.183 62.300 -0.140 0.000 0.874 1185 V CB 1.210 32.970 31.823 -0.105 0.000 0.985 1185 V HN 0.453 nan 8.190 nan 0.000 0.438 1186 Y N 6.163 126.452 120.300 -0.019 0.000 2.319 1186 Y HA 0.322 4.872 4.550 0.000 0.000 0.328 1186 Y C -1.399 174.480 175.900 -0.034 0.000 1.133 1186 Y CA -1.927 56.158 58.100 -0.025 0.000 1.265 1186 Y CB 0.427 38.879 38.460 -0.014 0.000 1.218 1186 Y HN 0.470 nan 8.280 nan 0.000 0.508 1187 P HA 0.009 nan 4.420 nan 0.000 0.270 1187 P C -0.718 176.616 177.300 0.056 0.000 1.221 1187 P CA 0.019 63.144 63.100 0.041 0.000 0.788 1187 P CB 0.758 32.468 31.700 0.016 0.000 0.904 1188 R N 2.196 122.716 120.500 0.034 0.000 2.337 1188 R HA 0.196 4.536 4.340 0.000 0.000 0.319 1188 R C 0.636 176.952 176.300 0.027 0.000 0.954 1188 R CA -0.649 55.472 56.100 0.036 0.000 0.840 1188 R CB 0.818 31.144 30.300 0.044 0.000 1.164 1188 R HN 0.406 nan 8.270 nan 0.000 0.472 1189 N N 1.697 120.407 118.700 0.018 0.000 2.585 1189 N HA -0.144 4.596 4.740 0.000 0.000 0.188 1189 N C 0.798 176.323 175.510 0.025 0.000 1.102 1189 N CA 0.936 53.993 53.050 0.013 0.000 0.920 1189 N CB 0.212 38.696 38.487 -0.004 0.000 0.963 1189 N HN 0.617 nan 8.380 nan 0.000 0.447 1190 D N -0.372 120.048 120.400 0.032 0.000 2.327 1190 D HA -0.036 4.605 4.640 0.000 0.000 0.205 1190 D C 0.860 177.192 176.300 0.055 0.000 0.989 1190 D CA 0.066 54.089 54.000 0.040 0.000 0.873 1190 D CB 0.174 40.995 40.800 0.035 0.000 0.955 1190 D HN 0.152 nan 8.370 nan 0.000 0.515 1191 L N 1.321 122.580 121.223 0.060 0.000 2.469 1191 L HA 0.240 4.580 4.340 0.000 0.000 0.253 1191 L C 1.077 178.004 176.870 0.096 0.000 1.143 1191 L CA -0.860 54.027 54.840 0.077 0.000 0.804 1191 L CB 1.100 43.205 42.059 0.078 0.000 1.214 1191 L HN -0.009 nan 8.230 nan 0.000 0.476 1192 S N -1.428 114.345 115.700 0.121 0.000 2.669 1192 S HA 0.110 4.580 4.470 0.000 0.000 0.270 1192 S C 0.808 175.527 174.600 0.198 0.000 1.225 1192 S CA -0.437 57.865 58.200 0.169 0.000 0.991 1192 S CB 0.608 63.914 63.200 0.177 0.000 0.987 1192 S HN 0.557 nan 8.310 nan 0.000 0.552 1193 Y N 1.415 121.792 120.300 0.129 0.000 2.040 1193 Y HA -0.224 4.326 4.550 0.000 0.000 0.275 1193 Y C 2.674 178.645 175.900 0.118 0.000 1.171 1193 Y CA 2.652 60.828 58.100 0.127 0.000 1.123 1193 Y CB -1.042 37.528 38.460 0.184 0.000 0.963 1193 Y HN 0.843 nan 8.280 nan 0.000 0.493 1194 A N -0.253 122.778 122.820 0.351 0.000 1.877 1194 A HA -0.110 4.210 4.320 0.000 0.000 0.216 1194 A C 2.465 180.181 177.584 0.221 0.000 1.186 1194 A CA 1.764 53.959 52.037 0.263 0.000 0.620 1194 A CB -1.729 17.397 19.000 0.210 0.000 0.822 1194 A HN 0.607 nan 8.150 nan 0.000 0.443 1195 G N -0.093 108.814 108.800 0.179 0.000 2.422 1195 G HA2 -0.323 3.637 3.960 0.000 0.000 0.218 1195 G HA3 -0.323 3.637 3.960 0.000 0.000 0.218 1195 G C 1.476 176.452 174.900 0.128 0.000 1.146 1195 G CA 1.407 46.599 45.100 0.154 0.000 0.769 1195 G HN 0.628 nan 8.290 nan 0.000 0.547 1196 N N -0.155 118.605 118.700 0.100 0.000 2.142 1196 N HA -0.115 4.625 4.740 0.000 0.000 0.186 1196 N C 1.810 177.329 175.510 0.016 0.000 1.023 1196 N CA 1.113 54.189 53.050 0.043 0.000 0.852 1196 N CB -0.376 38.113 38.487 0.004 0.000 0.998 1196 N HN 0.240 nan 8.380 nan 0.000 0.424 1197 F N 1.046 120.924 119.950 -0.121 0.000 2.102 1197 F HA 0.006 4.533 4.527 0.000 0.000 0.298 1197 F C 1.854 177.565 175.800 -0.148 0.000 1.105 1197 F CA 1.221 59.121 58.000 -0.167 0.000 1.239 1197 F CB -0.544 38.352 39.000 -0.173 0.000 0.991 1197 F HN 0.060 nan 8.300 nan 0.000 0.474 1198 L N 0.202 121.322 121.223 -0.172 0.000 2.079 1198 L HA -0.270 4.071 4.340 0.000 0.000 0.210 1198 L C 2.226 178.961 176.870 -0.226 0.000 1.081 1198 L CA 1.749 56.483 54.840 -0.177 0.000 0.752 1198 L CB -0.906 41.278 42.059 0.208 0.000 0.896 1198 L HN 0.263 nan 8.230 nan 0.000 0.433 1199 N N 0.226 118.844 118.700 -0.137 0.000 2.142 1199 N HA -0.165 4.575 4.740 0.000 0.000 0.186 1199 N C 1.900 177.210 175.510 -0.333 0.000 1.023 1199 N CA 1.392 54.319 53.050 -0.204 0.000 0.852 1199 N CB -0.043 38.439 38.487 -0.008 0.000 0.998 1199 N HN 0.175 nan 8.380 nan 0.000 0.424 1200 M N -0.773 118.634 119.600 -0.323 0.000 2.374 1200 M HA -0.071 4.409 4.480 0.000 0.000 0.264 1200 M C 1.581 177.613 176.300 -0.446 0.000 1.067 1200 M CA 0.785 55.892 55.300 -0.321 0.000 1.103 1200 M CB -0.050 32.395 32.600 -0.259 0.000 1.402 1200 M HN 0.249 nan 8.290 nan 0.000 0.444 1201 M N -0.827 118.317 119.600 -0.759 0.000 2.123 1201 M HA -0.043 4.437 4.480 0.000 0.000 0.263 1201 M C 1.425 177.197 176.300 -0.880 0.000 1.069 1201 M CA 1.910 56.575 55.300 -1.057 0.000 1.133 1201 M CB -0.637 30.821 32.600 -1.902 0.000 1.356 1201 M HN 0.237 nan 8.290 nan 0.000 0.415 1202 F N -1.299 118.401 119.950 -0.417 0.000 2.682 1202 F HA 0.228 4.755 4.527 0.000 0.000 0.308 1202 F C 1.252 176.691 175.800 -0.602 0.000 1.093 1202 F CA -0.462 57.269 58.000 -0.449 0.000 1.244 1202 F CB -0.033 38.670 39.000 -0.495 0.000 1.052 1202 F HN -0.084 nan 8.300 nan 0.000 0.573 1203 S N 0.816 116.231 115.700 -0.475 0.000 2.562 1203 S HA 0.321 4.791 4.470 0.000 0.000 0.281 1203 S C 0.056 174.603 174.600 -0.088 0.000 1.333 1203 S CA 0.297 58.335 58.200 -0.270 0.000 1.052 1203 S CB 0.486 63.587 63.200 -0.164 0.000 0.884 1203 S HN 0.127 nan 8.310 nan 0.000 0.506 1204 T N 6.239 120.791 114.554 -0.002 0.000 2.916 1204 T HA 0.435 4.785 4.350 0.000 0.000 0.298 1204 T C -1.960 172.756 174.700 0.028 0.000 1.031 1204 T CA -1.029 61.078 62.100 0.011 0.000 0.993 1204 T CB 1.789 70.675 68.868 0.030 0.000 1.045 1204 T HN 0.359 nan 8.240 nan 0.000 0.454 1205 P HA -0.112 nan 4.420 nan 0.000 0.217 1205 P C 1.302 178.618 177.300 0.026 0.000 1.151 1205 P CA 1.014 64.126 63.100 0.021 0.000 0.849 1205 P CB -0.085 31.620 31.700 0.009 0.000 0.787 1206 C N -0.562 118.753 119.300 0.024 0.000 2.397 1206 C HA -0.140 4.320 4.460 0.000 0.000 0.282 1206 C C 1.143 176.152 174.990 0.032 0.000 1.252 1206 C CA 0.990 60.023 59.018 0.024 0.000 1.811 1206 C CB -2.076 25.678 27.740 0.024 0.000 2.027 1206 C HN 0.444 nan 8.230 nan 0.000 0.503 1207 E N -1.615 118.614 120.200 0.048 0.000 2.398 1207 E HA 0.318 4.669 4.350 0.000 0.000 0.280 1207 E C -3.107 173.540 176.600 0.079 0.000 1.122 1207 E CA -1.426 55.005 56.400 0.052 0.000 0.873 1207 E CB 0.071 29.799 29.700 0.046 0.000 1.294 1207 E HN -0.089 nan 8.360 nan 0.000 0.435 1208 P HA -0.002 nan 4.420 nan 0.000 0.268 1208 P C -1.388 175.993 177.300 0.135 0.000 1.205 1208 P CA 0.090 63.244 63.100 0.091 0.000 0.771 1208 P CB 0.298 32.031 31.700 0.054 0.000 0.858 1209 Y N 1.686 122.001 120.300 0.024 0.000 2.341 1209 Y HA 0.297 4.847 4.550 0.000 0.000 0.337 1209 Y C 0.002 175.916 175.900 0.024 0.000 1.014 1209 Y CA -0.423 57.694 58.100 0.028 0.000 1.111 1209 Y CB 1.528 40.017 38.460 0.048 0.000 1.194 1209 Y HN 0.353 nan 8.280 nan 0.000 0.462 1210 E N 5.118 125.078 120.200 -0.399 0.000 2.176 1210 E HA 0.410 4.760 4.350 0.000 0.000 0.267 1210 E C -1.233 175.098 176.600 -0.448 0.000 0.893 1210 E CA -0.988 55.251 56.400 -0.269 0.000 0.761 1210 E CB 2.240 31.834 29.700 -0.177 0.000 1.133 1210 E HN 0.389 nan 8.360 nan 0.000 0.409 1211 V N 3.070 122.885 119.914 -0.164 0.000 2.607 1211 V HA 0.077 4.197 4.120 0.000 0.000 0.289 1211 V C 0.490 176.544 176.094 -0.067 0.000 1.053 1211 V CA -0.779 61.478 62.300 -0.071 0.000 0.996 1211 V CB 1.160 33.057 31.823 0.124 0.000 0.995 1211 V HN 0.654 nan 8.190 nan 0.000 0.476 1212 N N 5.021 123.683 118.700 -0.063 0.000 2.497 1212 N HA 0.184 4.924 4.740 0.000 0.000 0.271 1212 N C -1.833 173.673 175.510 -0.007 0.000 1.142 1212 N CA -1.629 51.392 53.050 -0.048 0.000 0.965 1212 N CB 1.974 40.425 38.487 -0.059 0.000 1.077 1212 N HN 0.253 nan 8.380 nan 0.000 0.462 1213 P HA -0.063 nan 4.420 nan 0.000 0.215 1213 P C 1.367 178.675 177.300 0.014 0.000 1.153 1213 P CA 1.206 64.312 63.100 0.011 0.000 0.853 1213 P CB 0.334 32.036 31.700 0.003 0.000 0.788 1214 I N -1.669 118.902 120.570 0.001 0.000 2.353 1214 I HA -0.176 3.995 4.170 0.000 0.000 0.248 1214 I C 2.161 178.284 176.117 0.010 0.000 1.119 1214 I CA 1.135 62.435 61.300 0.000 0.000 1.417 1214 I CB -0.464 37.526 38.000 -0.016 0.000 1.078 1214 I HN -0.088 nan 8.210 nan 0.000 0.421 1215 L N 0.005 121.234 121.223 0.011 0.000 2.109 1215 L HA -0.137 4.203 4.340 0.000 0.000 0.207 1215 L C 2.617 179.524 176.870 0.063 0.000 1.086 1215 L CA 1.067 55.923 54.840 0.028 0.000 0.760 1215 L CB -0.623 41.446 42.059 0.017 0.000 0.910 1215 L HN 0.279 nan 8.230 nan 0.000 0.437 1216 E N 0.753 120.993 120.200 0.067 0.000 2.051 1216 E HA -0.252 4.098 4.350 0.000 0.000 0.192 1216 E C 2.336 178.988 176.600 0.086 0.000 0.991 1216 E CA 1.073 57.530 56.400 0.094 0.000 0.799 1216 E CB 0.042 29.794 29.700 0.087 0.000 0.748 1216 E HN 0.271 nan 8.360 nan 0.000 0.449 1217 R N 0.268 120.805 120.500 0.062 0.000 2.081 1217 R HA -0.120 4.220 4.340 0.000 0.000 0.235 1217 R C 2.178 178.509 176.300 0.052 0.000 1.131 1217 R CA 1.191 57.324 56.100 0.054 0.000 0.960 1217 R CB -0.275 30.046 30.300 0.036 0.000 0.856 1217 R HN 0.145 nan 8.270 nan 0.000 0.436 1218 A N 1.176 124.023 122.820 0.045 0.000 1.865 1218 A HA -0.234 4.086 4.320 0.000 0.000 0.217 1218 A C 2.133 179.747 177.584 0.050 0.000 1.191 1218 A CA 1.742 53.802 52.037 0.039 0.000 0.623 1218 A CB -0.581 18.436 19.000 0.029 0.000 0.826 1218 A HN 0.405 nan 8.150 nan 0.000 0.444 1219 M N 0.407 120.049 119.600 0.070 0.000 2.108 1219 M HA -0.158 4.322 4.480 0.000 0.000 0.261 1219 M C 1.640 177.974 176.300 0.057 0.000 1.066 1219 M CA 2.276 57.624 55.300 0.080 0.000 1.107 1219 M CB -0.686 32.001 32.600 0.146 0.000 1.356 1219 M HN 0.555 nan 8.290 nan 0.000 0.406 1220 D N -0.642 119.804 120.400 0.076 0.000 2.178 1220 D HA -0.180 4.460 4.640 0.000 0.000 0.201 1220 D C 1.862 178.203 176.300 0.067 0.000 0.980 1220 D CA 1.084 55.132 54.000 0.078 0.000 0.842 1220 D CB 0.067 40.934 40.800 0.112 0.000 0.948 1220 D HN 0.461 nan 8.370 nan 0.000 0.472 1221 R N -0.105 120.430 120.500 0.057 0.000 2.153 1221 R HA 0.063 4.404 4.340 0.000 0.000 0.218 1221 R C 2.596 178.928 176.300 0.052 0.000 1.072 1221 R CA 0.219 56.349 56.100 0.051 0.000 0.990 1221 R CB 0.075 30.395 30.300 0.035 0.000 0.889 1221 R HN 0.285 nan 8.270 nan 0.000 0.452 1222 I N 0.714 121.317 120.570 0.056 0.000 2.226 1222 I HA -0.291 3.879 4.170 0.000 0.000 0.245 1222 I C 1.800 178.018 176.117 0.169 0.000 1.100 1222 I CA 1.133 62.497 61.300 0.106 0.000 1.374 1222 I CB -0.156 37.881 38.000 0.062 0.000 1.057 1222 I HN 0.084 nan 8.210 nan 0.000 0.413 1223 L N 0.444 121.679 121.223 0.021 0.000 1.994 1223 L HA -0.203 4.137 4.340 0.000 0.000 0.208 1223 L C 2.364 179.303 176.870 0.115 0.000 1.071 1223 L CA 1.878 56.664 54.840 -0.090 0.000 0.745 1223 L CB -0.700 41.053 42.059 -0.510 0.000 0.892 1223 L HN 0.134 nan 8.230 nan 0.000 0.431 1224 I N -0.800 119.871 120.570 0.167 0.000 2.151 1224 I HA -0.353 3.817 4.170 0.000 0.000 0.243 1224 I C 2.124 178.292 176.117 0.085 0.000 1.080 1224 I CA 1.420 62.820 61.300 0.167 0.000 1.339 1224 I CB -0.360 37.707 38.000 0.113 0.000 1.039 1224 I HN 0.209 nan 8.210 nan 0.000 0.409 1225 L N -0.537 120.701 121.223 0.025 0.000 2.633 1225 L HA -0.164 4.176 4.340 0.000 0.000 0.235 1225 L C 1.431 178.146 176.870 -0.259 0.000 1.163 1225 L CA 0.950 55.730 54.840 -0.100 0.000 0.859 1225 L CB -0.640 41.323 42.059 -0.159 0.000 0.973 1225 L HN 0.368 nan 8.230 nan 0.000 0.451 1226 H N -2.260 116.814 119.070 0.007 0.000 3.170 1226 H HA 0.261 4.818 4.556 0.000 0.000 0.264 1226 H C 2.085 177.382 175.328 -0.053 0.000 1.113 1226 H CA 0.438 56.469 56.048 -0.028 0.000 1.194 1226 H CB 0.480 30.206 29.762 -0.061 0.000 1.553 1226 H HN 0.169 nan 8.280 nan 0.000 0.538 1227 A N 0.378 123.245 122.820 0.080 0.000 1.958 1227 A HA -0.164 4.156 4.320 0.000 0.000 0.221 1227 A C 0.604 178.115 177.584 -0.122 0.000 1.178 1227 A CA 2.257 54.296 52.037 0.004 0.000 0.642 1227 A CB -0.134 18.833 19.000 -0.055 0.000 0.816 1227 A HN 0.512 nan 8.150 nan 0.000 0.453 1228 D N -5.588 114.752 120.400 -0.101 0.000 2.653 1228 D HA 0.410 5.050 4.640 0.000 0.000 0.258 1228 D C -0.851 175.599 176.300 0.250 0.000 1.252 1228 D CA -0.540 53.462 54.000 0.003 0.000 0.777 1228 D CB 0.650 41.430 40.800 -0.034 0.000 1.339 1228 D HN 0.198 nan 8.370 nan 0.000 0.422 1229 H N 2.134 121.294 119.070 0.151 0.000 3.229 1229 H HA 0.176 4.732 4.556 0.000 0.000 0.211 1229 H C -0.125 175.268 175.328 0.109 0.000 1.364 1229 H CA -0.185 55.965 56.048 0.170 0.000 1.270 1229 H CB 0.107 29.957 29.762 0.145 0.000 2.309 1229 H HN 0.611 nan 8.280 nan 0.000 0.520 1230 E N 0.294 120.603 120.200 0.180 0.000 3.611 1230 E HA -0.236 4.114 4.350 0.000 0.000 0.238 1230 E C -0.417 176.111 176.600 -0.120 0.000 1.468 1230 E CA 1.082 57.513 56.400 0.053 0.000 2.235 1230 E CB -0.306 29.373 29.700 -0.035 0.000 2.090 1230 E HN 0.532 nan 8.360 nan 0.000 0.483 1231 Q N 1.340 121.079 119.800 -0.101 0.000 3.179 1231 Q HA 0.112 4.452 4.340 0.000 0.000 0.328 1231 Q C 0.126 176.079 176.000 -0.077 0.000 1.336 1231 Q CA 0.461 56.204 55.803 -0.101 0.000 0.939 1231 Q CB -1.368 27.339 28.738 -0.051 0.000 1.658 1231 Q HN 0.354 nan 8.270 nan 0.000 0.486 1232 N N -2.110 116.551 118.700 -0.065 0.000 2.364 1232 N HA 0.349 5.089 4.740 0.000 0.000 0.264 1232 N C 1.007 176.538 175.510 0.035 0.000 1.263 1232 N CA 0.011 53.052 53.050 -0.015 0.000 0.959 1232 N CB 0.748 39.247 38.487 0.020 0.000 1.204 1232 N HN -0.009 nan 8.380 nan 0.000 0.550 1233 A N 0.507 123.358 122.820 0.052 0.000 1.927 1233 A HA -0.267 4.053 4.320 0.000 0.000 0.220 1233 A C 2.318 179.938 177.584 0.061 0.000 1.185 1233 A CA 2.420 54.489 52.037 0.054 0.000 0.639 1233 A CB -1.409 17.621 19.000 0.050 0.000 0.820 1233 A HN 0.819 nan 8.150 nan 0.000 0.451 1234 S N -1.434 114.334 115.700 0.112 0.000 2.371 1234 S HA -0.119 4.351 4.470 0.000 0.000 0.224 1234 S C 1.859 176.485 174.600 0.044 0.000 1.029 1234 S CA 1.706 59.968 58.200 0.103 0.000 0.978 1234 S CB -1.045 62.332 63.200 0.295 0.000 0.833 1234 S HN 0.490 nan 8.310 nan 0.000 0.466 1235 T N 2.544 117.201 114.554 0.171 0.000 2.821 1235 T HA 0.009 4.359 4.350 0.000 0.000 0.267 1235 T C 2.104 176.812 174.700 0.013 0.000 1.046 1235 T CA 1.487 63.660 62.100 0.122 0.000 1.139 1235 T CB -0.537 68.326 68.868 -0.008 0.000 0.871 1235 T HN 0.496 nan 8.240 nan 0.000 0.454 1236 S N 1.122 116.827 115.700 0.007 0.000 2.399 1236 S HA -0.109 4.361 4.470 0.000 0.000 0.231 1236 S C 2.295 176.900 174.600 0.008 0.000 1.022 1236 S CA 1.255 59.460 58.200 0.009 0.000 0.983 1236 S CB -0.545 62.671 63.200 0.027 0.000 0.803 1236 S HN 0.522 nan 8.310 nan 0.000 0.480 1237 T N 1.856 116.403 114.554 -0.013 0.000 2.777 1237 T HA -0.011 4.339 4.350 0.000 0.000 0.266 1237 T C 1.929 176.598 174.700 -0.052 0.000 1.040 1237 T CA 0.973 63.053 62.100 -0.033 0.000 1.141 1237 T CB -0.308 68.523 68.868 -0.062 0.000 0.868 1237 T HN 0.193 nan 8.240 nan 0.000 0.444 1238 V N 1.297 121.149 119.914 -0.103 0.000 2.427 1238 V HA -0.127 3.993 4.120 0.000 0.000 0.248 1238 V C 2.617 178.778 176.094 0.113 0.000 1.051 1238 V CA 1.536 63.795 62.300 -0.068 0.000 1.048 1238 V CB -0.501 31.224 31.823 -0.163 0.000 0.666 1238 V HN 0.358 nan 8.190 nan 0.000 0.456 1239 R N -0.446 120.110 120.500 0.095 0.000 2.062 1239 R HA -0.117 4.224 4.340 0.000 0.000 0.231 1239 R C 2.464 178.793 176.300 0.048 0.000 1.136 1239 R CA 1.953 58.111 56.100 0.097 0.000 0.948 1239 R CB -0.702 29.630 30.300 0.054 0.000 0.845 1239 R HN 0.474 nan 8.270 nan 0.000 0.430 1240 T N 0.972 115.541 114.554 0.026 0.000 2.674 1240 T HA -0.149 4.201 4.350 0.000 0.000 0.265 1240 T C 1.939 176.658 174.700 0.032 0.000 1.039 1240 T CA 1.467 63.575 62.100 0.013 0.000 1.150 1240 T CB -0.326 68.554 68.868 0.021 0.000 0.864 1240 T HN 0.374 nan 8.240 nan 0.000 0.427 1241 A N 1.403 124.253 122.820 0.050 0.000 1.908 1241 A HA 0.037 4.357 4.320 0.000 0.000 0.218 1241 A C 2.621 180.277 177.584 0.120 0.000 1.181 1241 A CA 1.981 54.059 52.037 0.067 0.000 0.627 1241 A CB -1.375 17.655 19.000 0.052 0.000 0.818 1241 A HN 0.531 nan 8.150 nan 0.000 0.445 1242 G N -0.237 108.679 108.800 0.192 0.000 2.443 1242 G HA2 -0.132 3.828 3.960 0.000 0.000 0.219 1242 G HA3 -0.132 3.828 3.960 0.000 0.000 0.219 1242 G C 1.862 176.791 174.900 0.047 0.000 1.131 1242 G CA 1.557 46.837 45.100 0.299 0.000 0.775 1242 G HN 0.896 nan 8.290 nan 0.000 0.547 1243 S N 1.301 116.979 115.700 -0.036 0.000 2.419 1243 S HA -0.160 4.310 4.470 0.000 0.000 0.235 1243 S C 2.292 176.847 174.600 -0.075 0.000 1.019 1243 S CA 1.831 59.959 58.200 -0.121 0.000 0.982 1243 S CB -0.488 62.657 63.200 -0.090 0.000 0.789 1243 S HN 0.559 nan 8.310 nan 0.000 0.490 1244 S N 0.003 115.701 115.700 -0.005 0.000 2.558 1244 S HA 0.471 4.941 4.470 0.000 0.000 0.217 1244 S C 1.510 176.140 174.600 0.049 0.000 0.975 1244 S CA 0.373 58.582 58.200 0.016 0.000 0.912 1244 S CB -0.388 62.831 63.200 0.031 0.000 0.776 1244 S HN 1.572 nan 8.310 nan 0.000 0.526 1245 G N 0.739 109.594 108.800 0.091 0.000 2.131 1245 G HA2 -0.029 3.931 3.960 0.000 0.000 0.223 1245 G HA3 -0.029 3.931 3.960 0.000 0.000 0.223 1245 G C 0.181 175.204 174.900 0.204 0.000 0.990 1245 G CA -0.246 44.953 45.100 0.166 0.000 0.671 1245 G HN 1.226 nan 8.290 nan 0.000 0.521 1246 A N 0.372 123.314 122.820 0.204 0.000 2.488 1246 A HA 0.553 4.873 4.320 0.000 0.000 0.249 1246 A C 0.840 178.568 177.584 0.241 0.000 1.083 1246 A CA 0.548 52.696 52.037 0.186 0.000 0.768 1246 A CB -0.067 19.019 19.000 0.143 0.000 1.017 1246 A HN 1.897 nan 8.150 nan 0.000 0.496 1247 N N 3.091 121.907 118.700 0.194 0.000 2.292 1247 N HA 0.056 4.796 4.740 0.000 0.000 0.242 1247 N C -2.059 173.474 175.510 0.039 0.000 1.243 1247 N CA -0.248 52.913 53.050 0.186 0.000 0.851 1247 N CB 0.101 38.732 38.487 0.240 0.000 1.093 1247 N HN 0.259 nan 8.380 nan 0.000 0.450 1248 P HA -0.215 nan 4.420 nan 0.000 0.217 1248 P C 0.741 177.634 177.300 -0.680 0.000 1.162 1248 P CA 1.759 64.358 63.100 -0.834 0.000 0.901 1248 P CB -0.120 30.908 31.700 -1.120 0.000 0.793 1249 F N -0.298 119.544 119.950 -0.181 0.000 2.075 1249 F HA -0.158 4.369 4.527 0.000 0.000 0.297 1249 F C 2.554 178.296 175.800 -0.097 0.000 1.113 1249 F CA 1.287 59.218 58.000 -0.116 0.000 1.218 1249 F CB -1.749 37.232 39.000 -0.030 0.000 0.984 1249 F HN -0.126 nan 8.300 nan 0.000 0.472 1250 A N -0.585 122.314 122.820 0.132 0.000 1.948 1250 A HA -0.237 4.083 4.320 0.000 0.000 0.220 1250 A C 2.230 179.800 177.584 -0.023 0.000 1.177 1250 A CA 2.004 54.079 52.037 0.063 0.000 0.636 1250 A CB -1.589 17.461 19.000 0.084 0.000 0.815 1250 A HN 0.559 nan 8.150 nan 0.000 0.449 1251 C N -0.657 118.593 119.300 -0.084 0.000 2.450 1251 C HA 0.009 4.469 4.460 0.000 0.000 0.279 1251 C C 2.473 177.315 174.990 -0.246 0.000 1.335 1251 C CA 0.508 59.445 59.018 -0.136 0.000 1.749 1251 C CB -0.989 26.670 27.740 -0.135 0.000 1.963 1251 C HN 0.582 nan 8.230 nan 0.000 0.501 1252 I N 1.621 122.042 120.570 -0.249 0.000 2.353 1252 I HA -0.089 4.081 4.170 0.000 0.000 0.248 1252 I C 2.747 178.727 176.117 -0.229 0.000 1.119 1252 I CA 1.681 62.839 61.300 -0.237 0.000 1.417 1252 I CB -1.644 36.297 38.000 -0.098 0.000 1.078 1252 I HN 0.235 nan 8.210 nan 0.000 0.421 1253 A N 0.925 123.676 122.820 -0.116 0.000 1.972 1253 A HA -0.061 4.259 4.320 0.000 0.000 0.219 1253 A C 2.537 180.052 177.584 -0.114 0.000 1.169 1253 A CA 1.721 53.712 52.037 -0.077 0.000 0.635 1253 A CB -0.567 18.425 19.000 -0.012 0.000 0.810 1253 A HN 0.394 nan 8.150 nan 0.000 0.446 1254 A N -0.517 122.215 122.820 -0.147 0.000 1.929 1254 A HA 0.202 4.522 4.320 0.000 0.000 0.216 1254 A C 2.349 179.786 177.584 -0.244 0.000 1.176 1254 A CA 1.631 53.588 52.037 -0.132 0.000 0.628 1254 A CB -1.212 17.727 19.000 -0.103 0.000 0.816 1254 A HN 0.682 nan 8.150 nan 0.000 0.444 1255 G N 0.115 108.593 108.800 -0.535 0.000 2.432 1255 G HA2 -0.168 3.792 3.960 0.000 0.000 0.219 1255 G HA3 -0.168 3.792 3.960 0.000 0.000 0.219 1255 G C 1.488 176.028 174.900 -0.600 0.000 1.135 1255 G CA 1.135 45.647 45.100 -0.979 0.000 0.767 1255 G HN 0.486 nan 8.290 nan 0.000 0.550 1256 I N 1.134 121.499 120.570 -0.341 0.000 2.193 1256 I HA -0.092 4.078 4.170 0.000 0.000 0.240 1256 I C 3.286 179.472 176.117 0.115 0.000 1.084 1256 I CA 0.923 62.231 61.300 0.014 0.000 1.365 1256 I CB -0.348 37.649 38.000 -0.006 0.000 1.064 1256 I HN 0.225 nan 8.210 nan 0.000 0.410 1257 A N 0.016 122.909 122.820 0.122 0.000 1.978 1257 A HA -0.246 4.074 4.320 0.000 0.000 0.220 1257 A C 2.491 180.303 177.584 0.379 0.000 1.170 1257 A CA 2.307 54.563 52.037 0.366 0.000 0.636 1257 A CB -0.690 18.449 19.000 0.233 0.000 0.810 1257 A HN 0.442 nan 8.150 nan 0.000 0.448 1258 S N -1.021 114.781 115.700 0.171 0.000 2.395 1258 S HA -0.079 4.392 4.470 0.000 0.000 0.225 1258 S C 1.883 176.591 174.600 0.179 0.000 1.027 1258 S CA 1.213 59.486 58.200 0.120 0.000 0.965 1258 S CB -0.379 62.833 63.200 0.020 0.000 0.812 1258 S HN 0.424 nan 8.310 nan 0.000 0.482 1259 L N 1.879 123.251 121.223 0.248 0.000 2.083 1259 L HA 0.047 4.387 4.340 0.000 0.000 0.209 1259 L C 2.006 179.066 176.870 0.317 0.000 1.083 1259 L CA 1.705 56.730 54.840 0.307 0.000 0.752 1259 L CB -0.656 41.648 42.059 0.409 0.000 0.899 1259 L HN 0.820 nan 8.230 nan 0.000 0.433 1260 W N -1.081 120.249 121.300 0.049 0.000 3.316 1260 W HA 0.425 5.085 4.660 0.000 0.000 0.327 1260 W C 1.429 177.829 176.519 -0.199 0.000 1.232 1260 W CA -0.100 57.231 57.345 -0.022 0.000 1.805 1260 W CB -1.711 27.756 29.460 0.012 0.000 1.090 1260 W HN 0.159 nan 8.180 nan 0.000 0.654 1261 G N 3.009 111.704 108.800 -0.174 0.000 2.505 1261 G HA2 -0.295 3.665 3.960 0.000 0.000 0.220 1261 G HA3 -0.295 3.665 3.960 0.000 0.000 0.220 1261 G C -0.642 173.875 174.900 -0.638 0.000 1.145 1261 G CA 1.360 46.123 45.100 -0.562 0.000 0.761 1261 G HN 0.205 nan 8.290 nan 0.000 0.571 1262 P HA 0.052 nan 4.420 nan 0.000 0.222 1262 P C 1.963 179.081 177.300 -0.304 0.000 1.147 1262 P CA 1.501 64.466 63.100 -0.225 0.000 0.790 1262 P CB 0.022 31.672 31.700 -0.083 0.000 0.780 1263 A N 0.709 123.313 122.820 -0.361 0.000 1.826 1263 A HA -0.196 4.124 4.320 0.000 0.000 0.214 1263 A C 2.125 179.469 177.584 -0.400 0.000 1.212 1263 A CA 1.907 53.762 52.037 -0.302 0.000 0.605 1263 A CB -1.912 17.033 19.000 -0.091 0.000 0.861 1263 A HN 0.327 nan 8.150 nan 0.000 0.447 1264 H N -1.580 117.181 119.070 -0.515 0.000 2.428 1264 H HA 0.194 4.750 4.556 0.000 0.000 0.296 1264 H C 1.804 176.931 175.328 -0.335 0.000 1.062 1264 H CA 1.092 56.836 56.048 -0.506 0.000 1.350 1264 H CB -1.081 28.166 29.762 -0.859 0.000 1.403 1264 H HN 0.334 nan 8.280 nan 0.000 0.533 1265 G N 0.251 108.733 108.800 -0.531 0.000 2.498 1265 G HA2 -0.171 3.789 3.960 0.000 0.000 0.219 1265 G HA3 -0.171 3.789 3.960 0.000 0.000 0.219 1265 G C 1.782 176.597 174.900 -0.140 0.000 1.119 1265 G CA 0.532 45.492 45.100 -0.233 0.000 0.766 1265 G HN 0.655 nan 8.290 nan 0.000 0.552 1266 G N 0.405 109.098 108.800 -0.180 0.000 2.524 1266 G HA2 0.351 4.311 3.960 0.000 0.000 0.215 1266 G HA3 0.351 4.311 3.960 0.000 0.000 0.215 1266 G C 0.526 175.396 174.900 -0.051 0.000 1.239 1266 G CA 1.437 46.469 45.100 -0.113 0.000 0.798 1266 G HN 1.505 nan 8.290 nan 0.000 0.557 1267 A N -1.782 120.999 122.820 -0.066 0.000 2.609 1267 A HA 0.301 4.621 4.320 0.000 0.000 0.305 1267 A C 0.717 178.285 177.584 -0.025 0.000 0.888 1267 A CA 0.400 52.421 52.037 -0.026 0.000 0.614 1267 A CB -0.613 18.391 19.000 0.006 0.000 1.326 1267 A HN 0.551 nan 8.150 nan 0.000 0.417 1268 N N 0.834 119.528 118.700 -0.009 0.000 2.580 1268 N HA -0.201 4.539 4.740 0.000 0.000 0.193 1268 N C 0.488 176.001 175.510 0.006 0.000 1.075 1268 N CA 1.803 54.853 53.050 0.000 0.000 0.921 1268 N CB -0.123 38.368 38.487 0.007 0.000 0.950 1268 N HN 1.039 nan 8.380 nan 0.000 0.449 1269 E N -2.774 117.431 120.200 0.009 0.000 3.640 1269 E HA 0.458 4.809 4.350 0.000 0.000 0.157 1269 E C 0.389 177.015 176.600 0.043 0.000 0.974 1269 E CA -0.111 56.303 56.400 0.024 0.000 1.465 1269 E CB -0.120 29.599 29.700 0.032 0.000 1.098 1269 E HN 0.105 nan 8.360 nan 0.000 0.414 1270 A N 1.579 124.409 122.820 0.017 0.000 1.835 1270 A HA 0.163 4.483 4.320 0.000 0.000 0.215 1270 A C 2.173 179.846 177.584 0.148 0.000 1.199 1270 A CA 1.796 53.877 52.037 0.072 0.000 0.615 1270 A CB -0.415 18.557 19.000 -0.047 0.000 0.838 1270 A HN 0.527 nan 8.150 nan 0.000 0.444 1271 A N -2.010 120.774 122.820 -0.060 0.000 2.500 1271 A HA 0.536 4.856 4.320 0.000 0.000 0.267 1271 A C 1.082 178.698 177.584 0.053 0.000 1.290 1271 A CA -0.023 52.043 52.037 0.049 0.000 0.928 1271 A CB -0.055 18.792 19.000 -0.256 0.000 1.066 1271 A HN 0.319 nan 8.150 nan 0.000 0.516 1272 L N -1.183 120.062 121.223 0.036 0.000 2.577 1272 L HA 0.282 4.622 4.340 0.000 0.000 0.225 1272 L C 1.957 178.856 176.870 0.049 0.000 1.053 1272 L CA 1.007 55.868 54.840 0.034 0.000 0.866 1272 L CB -0.521 41.545 42.059 0.011 0.000 1.132 1272 L HN 0.346 nan 8.230 nan 0.000 0.486 1273 K N 0.497 120.933 120.400 0.061 0.000 2.059 1273 K HA -0.199 4.121 4.320 0.000 0.000 0.212 1273 K C 1.826 178.461 176.600 0.059 0.000 1.050 1273 K CA 1.724 58.046 56.287 0.058 0.000 0.927 1273 K CB -0.011 32.529 32.500 0.067 0.000 0.714 1273 K HN 0.160 nan 8.250 nan 0.000 0.447 1274 M N 0.802 120.451 119.600 0.082 0.000 2.595 1274 M HA 0.000 4.480 4.480 0.000 0.000 0.248 1274 M C 1.473 177.809 176.300 0.061 0.000 1.119 1274 M CA 0.781 56.131 55.300 0.083 0.000 1.079 1274 M CB -0.121 32.552 32.600 0.121 0.000 1.472 1274 M HN 0.176 nan 8.290 nan 0.000 0.501 1275 L N -0.324 120.930 121.223 0.052 0.000 2.599 1275 L HA -0.061 4.279 4.340 0.000 0.000 0.230 1275 L C 1.862 178.727 176.870 -0.008 0.000 1.141 1275 L CA 0.430 55.284 54.840 0.023 0.000 0.877 1275 L CB -0.416 41.661 42.059 0.032 0.000 1.009 1275 L HN 0.216 nan 8.230 nan 0.000 0.447 1276 E N 0.664 120.865 120.200 0.002 0.000 2.434 1276 E HA -0.090 4.260 4.350 0.000 0.000 0.207 1276 E C 1.431 178.025 176.600 -0.011 0.000 0.929 1276 E CA 0.193 56.590 56.400 -0.006 0.000 1.001 1276 E CB 0.425 30.130 29.700 0.009 0.000 1.016 1276 E HN 0.315 nan 8.360 nan 0.000 0.502 1277 E N 0.464 120.664 120.200 0.001 0.000 2.311 1277 E HA 0.041 4.391 4.350 0.000 0.000 0.198 1277 E C 0.437 177.026 176.600 -0.018 0.000 1.115 1277 E CA -0.115 56.291 56.400 0.011 0.000 1.140 1277 E CB 0.006 29.732 29.700 0.043 0.000 1.204 1277 E HN 0.216 nan 8.360 nan 0.000 0.446 1278 I N 1.076 121.585 120.570 -0.101 0.000 3.891 1278 I HA 0.033 4.203 4.170 0.000 0.000 0.331 1278 I C 0.943 176.941 176.117 -0.199 0.000 1.406 1278 I CA 0.496 61.628 61.300 -0.280 0.000 1.139 1278 I CB -0.190 37.538 38.000 -0.453 0.000 1.056 1278 I HN 0.147 nan 8.210 nan 0.000 0.399 1279 S N -1.137 114.517 115.700 -0.077 0.000 2.599 1279 S HA -0.002 4.468 4.470 0.000 0.000 0.236 1279 S C 1.787 176.393 174.600 0.010 0.000 1.077 1279 S CA 0.511 58.690 58.200 -0.036 0.000 0.906 1279 S CB -0.099 63.085 63.200 -0.027 0.000 0.804 1279 S HN 0.396 nan 8.310 nan 0.000 0.497 1280 S N 1.986 117.701 115.700 0.025 0.000 2.458 1280 S HA 0.120 4.590 4.470 0.000 0.000 0.223 1280 S C 1.286 175.936 174.600 0.083 0.000 1.019 1280 S CA 0.486 58.715 58.200 0.048 0.000 0.937 1280 S CB -0.387 62.837 63.200 0.040 0.000 0.788 1280 S HN 1.002 nan 8.310 nan 0.000 0.511 1281 V N -0.182 119.795 119.914 0.104 0.000 2.940 1281 V HA 0.508 4.628 4.120 0.000 0.000 0.366 1281 V C 0.503 176.754 176.094 0.263 0.000 1.353 1281 V CA -0.479 61.919 62.300 0.164 0.000 1.232 1281 V CB -0.602 31.312 31.823 0.150 0.000 1.278 1281 V HN 0.405 nan 8.190 nan 0.000 0.546 1282 K N -1.270 119.271 120.400 0.236 0.000 2.665 1282 K HA 0.129 4.449 4.320 0.000 0.000 0.214 1282 K C 1.330 178.138 176.600 0.347 0.000 1.032 1282 K CA 0.498 57.012 56.287 0.378 0.000 1.198 1282 K CB -0.770 31.831 32.500 0.168 0.000 0.941 1282 K HN 0.529 nan 8.250 nan 0.000 0.491 1283 H N 0.601 119.790 119.070 0.198 0.000 2.502 1283 H HA 0.113 4.669 4.556 0.000 0.000 0.283 1283 H C -0.296 175.090 175.328 0.096 0.000 1.015 1283 H CA 0.399 56.521 56.048 0.123 0.000 1.298 1283 H CB 0.487 30.301 29.762 0.086 0.000 1.411 1283 H HN 0.354 nan 8.280 nan 0.000 0.556 1284 I N 2.402 123.130 120.570 0.264 0.000 2.390 1284 I HA 0.243 4.413 4.170 0.000 0.000 0.283 1284 I C -2.371 173.579 176.117 -0.279 0.000 1.016 1284 I CA -2.617 58.727 61.300 0.073 0.000 1.151 1284 I CB 1.598 39.653 38.000 0.092 0.000 1.293 1284 I HN -0.177 nan 8.210 nan 0.000 0.458 1285 P HA -0.032 nan 4.420 nan 0.000 0.296 1285 P C 0.142 176.825 177.300 -1.029 0.000 1.447 1285 P CA 0.962 63.745 63.100 -0.528 0.000 0.750 1285 P CB 0.298 31.920 31.700 -0.131 0.000 1.451 1286 E N -2.734 116.546 120.200 -1.533 0.000 2.628 1286 E HA 0.054 4.404 4.350 0.000 0.000 0.275 1286 E C 0.678 176.916 176.600 -0.604 0.000 1.118 1286 E CA 0.017 55.831 56.400 -0.977 0.000 1.989 1286 E CB -1.037 28.329 29.700 -0.557 0.000 2.738 1286 E HN -0.102 nan 8.360 nan 0.000 1.053 1287 F N 2.409 122.184 119.950 -0.293 0.000 2.722 1287 F HA 0.065 4.592 4.527 0.000 0.000 0.298 1287 F C 1.500 177.374 175.800 0.124 0.000 1.175 1287 F CA 0.740 58.719 58.000 -0.036 0.000 1.462 1287 F CB -0.310 38.671 39.000 -0.032 0.000 1.111 1287 F HN 0.186 nan 8.300 nan 0.000 0.592 1288 F N -0.331 119.739 119.950 0.199 0.000 2.206 1288 F HA 0.046 4.573 4.527 0.000 0.000 0.298 1288 F C 2.007 177.884 175.800 0.128 0.000 1.090 1288 F CA 0.903 58.992 58.000 0.148 0.000 1.323 1288 F CB -1.271 37.799 39.000 0.116 0.000 1.028 1288 F HN -0.003 nan 8.300 nan 0.000 0.492 1289 R N 0.334 121.287 120.500 0.755 0.000 2.420 1289 R HA 0.273 4.613 4.340 0.000 0.000 0.126 1289 R C 1.260 177.757 176.300 0.328 0.000 1.871 1289 R CA -0.412 55.879 56.100 0.317 0.000 1.558 1289 R CB -0.256 30.070 30.300 0.043 0.000 1.338 1289 R HN 0.020 nan 8.270 nan 0.000 0.471 1290 R N 0.647 121.343 120.500 0.327 0.000 4.806 1290 R HA 0.048 4.388 4.340 0.000 0.000 0.194 1290 R C -0.412 176.056 176.300 0.280 0.000 2.211 1290 R CA 0.848 57.133 56.100 0.307 0.000 1.801 1290 R CB -0.243 30.239 30.300 0.302 0.000 1.251 1290 R HN 0.464 nan 8.270 nan 0.000 0.747 1291 A N -0.330 122.664 122.820 0.291 0.000 2.654 1291 A HA 0.093 4.413 4.320 0.000 0.000 0.203 1291 A C 0.974 178.843 177.584 0.475 0.000 1.306 1291 A CA -0.391 51.811 52.037 0.274 0.000 1.041 1291 A CB 0.393 19.340 19.000 -0.088 0.000 1.217 1291 A HN 0.359 nan 8.150 nan 0.000 0.510 1292 K N -0.336 120.270 120.400 0.344 0.000 2.589 1292 K HA 0.051 4.371 4.320 0.000 0.000 0.218 1292 K C 0.751 177.449 176.600 0.164 0.000 1.468 1292 K CA 0.647 57.074 56.287 0.232 0.000 1.002 1292 K CB 0.378 33.011 32.500 0.221 0.000 1.200 1292 K HN 0.196 nan 8.250 nan 0.000 0.614 1293 D N 2.723 123.249 120.400 0.209 0.000 2.106 1293 D HA -0.192 4.448 4.640 0.000 0.000 0.194 1293 D C -0.095 176.306 176.300 0.169 0.000 0.988 1293 D CA 1.343 55.458 54.000 0.191 0.000 0.845 1293 D CB -0.066 40.874 40.800 0.233 0.000 0.990 1293 D HN 0.291 nan 8.370 nan 0.000 0.448 1294 K N 1.272 121.792 120.400 0.201 0.000 2.166 1294 K HA -0.108 4.212 4.320 0.000 0.000 0.258 1294 K C 0.290 176.919 176.600 0.048 0.000 1.207 1294 K CA 0.231 56.594 56.287 0.127 0.000 1.227 1294 K CB -0.112 32.464 32.500 0.126 0.000 0.872 1294 K HN 0.040 nan 8.250 nan 0.000 0.426 1295 N N 1.964 120.667 118.700 0.006 0.000 2.432 1295 N HA -0.095 4.645 4.740 0.000 0.000 0.174 1295 N C -0.534 174.936 175.510 -0.067 0.000 1.037 1295 N CA 0.385 53.420 53.050 -0.025 0.000 0.892 1295 N CB 0.521 39.004 38.487 -0.007 0.000 1.049 1295 N HN 0.671 nan 8.380 nan 0.000 0.442 1296 D N 0.740 121.034 120.400 -0.176 0.000 2.456 1296 D HA 0.168 4.808 4.640 0.000 0.000 0.287 1296 D C -0.810 174.960 176.300 -0.883 0.000 1.186 1296 D CA -0.159 53.620 54.000 -0.369 0.000 0.916 1296 D CB 0.294 40.937 40.800 -0.262 0.000 1.029 1296 D HN 0.028 nan 8.370 nan 0.000 0.498 1297 S N 1.364 116.733 115.700 -0.550 0.000 2.536 1297 S HA -0.047 4.423 4.470 0.000 0.000 0.294 1297 S C -0.242 173.864 174.600 -0.823 0.000 1.289 1297 S CA 0.459 58.344 58.200 -0.526 0.000 1.035 1297 S CB 0.147 63.140 63.200 -0.346 0.000 0.783 1297 S HN 0.329 nan 8.310 nan 0.000 0.497 1298 F N 0.156 120.146 119.950 0.065 0.000 2.574 1298 F HA 0.428 4.955 4.527 0.000 0.000 0.313 1298 F C 0.613 176.469 175.800 0.092 0.000 1.130 1298 F CA -1.193 56.849 58.000 0.069 0.000 0.936 1298 F CB 1.698 40.751 39.000 0.088 0.000 1.219 1298 F HN 0.530 nan 8.300 nan 0.000 0.445 1299 R N 1.913 122.548 120.500 0.224 0.000 2.317 1299 R HA 0.258 4.599 4.340 0.000 0.000 0.208 1299 R C 0.632 176.998 176.300 0.110 0.000 0.914 1299 R CA 0.772 56.936 56.100 0.107 0.000 1.060 1299 R CB -0.097 30.190 30.300 -0.022 0.000 1.015 1299 R HN 0.777 nan 8.270 nan 0.000 0.498 1300 L N -0.229 121.094 121.223 0.167 0.000 2.375 1300 L HA 0.265 4.605 4.340 0.000 0.000 0.215 1300 L C 1.372 178.311 176.870 0.115 0.000 1.108 1300 L CA 0.604 55.508 54.840 0.107 0.000 0.830 1300 L CB 0.129 42.208 42.059 0.034 0.000 0.959 1300 L HN 0.338 nan 8.230 nan 0.000 0.457 1301 M N -1.103 118.592 119.600 0.159 0.000 2.561 1301 M HA 0.222 4.702 4.480 0.000 0.000 0.238 1301 M C 1.099 177.336 176.300 -0.105 0.000 1.131 1301 M CA 0.804 56.180 55.300 0.127 0.000 1.046 1301 M CB 0.524 33.312 32.600 0.314 0.000 1.532 1301 M HN 0.339 nan 8.290 nan 0.000 0.497 1302 G N 0.892 109.611 108.800 -0.135 0.000 2.135 1302 G HA2 -0.187 3.773 3.960 0.000 0.000 0.183 1302 G HA3 -0.187 3.773 3.960 0.000 0.000 0.183 1302 G C -0.543 174.031 174.900 -0.543 0.000 1.004 1302 G CA -0.754 44.195 45.100 -0.253 0.000 0.677 1302 G HN 0.328 nan 8.290 nan 0.000 0.512 1303 F N 0.883 120.897 119.950 0.106 0.000 2.496 1303 F HA 0.654 5.182 4.527 0.000 0.000 0.341 1303 F C 0.913 176.616 175.800 -0.162 0.000 1.134 1303 F CA -0.257 57.735 58.000 -0.012 0.000 0.968 1303 F CB 1.503 40.553 39.000 0.084 0.000 1.205 1303 F HN 1.026 nan 8.300 nan 0.000 0.436 1304 G N 2.059 110.676 108.800 -0.305 0.000 2.760 1304 G HA2 0.007 3.967 3.960 0.000 0.000 0.246 1304 G HA3 0.007 3.967 3.960 0.000 0.000 0.246 1304 G C -1.442 173.334 174.900 -0.207 0.000 1.359 1304 G CA -0.425 44.245 45.100 -0.718 0.000 0.861 1304 G HN 1.131 nan 8.290 nan 0.000 0.541 1305 H N -1.401 117.583 119.070 -0.144 0.000 3.016 1305 H HA 0.393 4.949 4.556 0.000 0.000 0.289 1305 H C 1.296 176.694 175.328 0.116 0.000 1.224 1305 H CA 0.269 56.382 56.048 0.108 0.000 1.485 1305 H CB 0.621 30.569 29.762 0.310 0.000 1.999 1305 H HN 0.858 nan 8.280 nan 0.000 0.511 1306 R N 2.303 123.037 120.500 0.390 0.000 2.092 1306 R HA -0.052 4.288 4.340 0.000 0.000 0.231 1306 R C 0.839 177.233 176.300 0.157 0.000 1.119 1306 R CA 2.024 58.258 56.100 0.224 0.000 0.970 1306 R CB -0.965 29.408 30.300 0.123 0.000 0.864 1306 R HN 0.285 nan 8.270 nan 0.000 0.440 1307 V N -0.054 119.950 119.914 0.150 0.000 2.295 1307 V HA -0.149 3.971 4.120 0.000 0.000 0.246 1307 V C 0.546 176.349 176.094 -0.484 0.000 1.049 1307 V CA 1.335 63.409 62.300 -0.376 0.000 1.024 1307 V CB -0.602 30.698 31.823 -0.871 0.000 0.648 1307 V HN 0.224 nan 8.190 nan 0.000 0.447 1308 Y N -0.409 119.893 120.300 0.004 0.000 2.352 1308 Y HA 0.352 4.902 4.550 0.000 0.000 0.326 1308 Y C 1.130 177.074 175.900 0.074 0.000 1.166 1308 Y CA -0.705 57.376 58.100 -0.031 0.000 1.182 1308 Y CB 1.123 39.516 38.460 -0.112 0.000 1.216 1308 Y HN -0.149 nan 8.280 nan 0.000 0.474 1309 K N 0.890 121.355 120.400 0.108 0.000 2.029 1309 K HA -0.043 4.277 4.320 0.000 0.000 0.205 1309 K C 0.886 177.555 176.600 0.115 0.000 1.042 1309 K CA 1.171 57.521 56.287 0.104 0.000 0.949 1309 K CB 0.129 32.647 32.500 0.031 0.000 0.740 1309 K HN 0.670 nan 8.250 nan 0.000 0.442 1310 N N -0.981 117.661 118.700 -0.097 0.000 2.414 1310 N HA 0.054 4.794 4.740 0.000 0.000 0.177 1310 N C -0.538 174.710 175.510 -0.437 0.000 1.062 1310 N CA 0.388 53.396 53.050 -0.070 0.000 0.890 1310 N CB 0.812 39.382 38.487 0.138 0.000 1.070 1310 N HN 0.183 nan 8.380 nan 0.000 0.454 1311 Y N -2.001 117.836 120.300 -0.771 0.000 2.713 1311 Y HA 0.452 5.003 4.550 0.000 0.000 0.335 1311 Y C -1.580 173.912 175.900 -0.680 0.000 1.222 1311 Y CA -1.546 55.956 58.100 -0.995 0.000 1.061 1311 Y CB 0.440 38.616 38.460 -0.474 0.000 1.314 1311 Y HN -0.326 nan 8.280 nan 0.000 0.453 1312 D N 2.910 123.114 120.400 -0.327 0.000 2.274 1312 D HA 0.336 4.977 4.640 0.000 0.000 0.239 1312 D C -1.847 174.257 176.300 -0.327 0.000 1.104 1312 D CA -2.640 51.115 54.000 -0.409 0.000 0.840 1312 D CB 1.978 42.805 40.800 0.045 0.000 1.100 1312 D HN 0.437 nan 8.370 nan 0.000 0.477 1313 P HA -0.008 nan 4.420 nan 0.000 0.233 1313 P C 0.749 177.957 177.300 -0.153 0.000 1.167 1313 P CA 0.440 63.397 63.100 -0.238 0.000 0.770 1313 P CB 0.509 32.039 31.700 -0.283 0.000 0.837 1314 R N -0.276 120.119 120.500 -0.176 0.000 2.246 1314 R HA 0.235 4.575 4.340 0.000 0.000 0.199 1314 R C 2.222 178.486 176.300 -0.059 0.000 0.984 1314 R CA 0.705 56.740 56.100 -0.108 0.000 1.015 1314 R CB -0.392 29.825 30.300 -0.138 0.000 0.930 1314 R HN 0.088 nan 8.270 nan 0.000 0.475 1315 A N 0.623 123.428 122.820 -0.026 0.000 2.119 1315 A HA -0.042 4.278 4.320 0.000 0.000 0.216 1315 A C 1.800 179.300 177.584 -0.140 0.000 1.152 1315 A CA 1.096 53.135 52.037 0.004 0.000 0.708 1315 A CB -0.361 18.725 19.000 0.144 0.000 0.805 1315 A HN 0.146 nan 8.150 nan 0.000 0.460 1316 T N -0.174 114.312 114.554 -0.113 0.000 2.614 1316 T HA -0.141 4.209 4.350 0.000 0.000 0.263 1316 T C 1.891 176.512 174.700 -0.133 0.000 1.055 1316 T CA 1.868 63.887 62.100 -0.135 0.000 1.162 1316 T CB -0.498 68.310 68.868 -0.100 0.000 0.863 1316 T HN 0.151 nan 8.240 nan 0.000 0.414 1317 V N 1.134 120.995 119.914 -0.089 0.000 2.358 1317 V HA -0.128 3.992 4.120 0.000 0.000 0.246 1317 V C 2.487 178.541 176.094 -0.068 0.000 1.047 1317 V CA 1.598 63.859 62.300 -0.066 0.000 1.035 1317 V CB -0.619 31.182 31.823 -0.037 0.000 0.658 1317 V HN 0.344 nan 8.190 nan 0.000 0.452 1318 M N -0.108 119.451 119.600 -0.068 0.000 2.202 1318 M HA -0.169 4.311 4.480 0.000 0.000 0.262 1318 M C 2.175 178.425 176.300 -0.084 0.000 1.063 1318 M CA 1.805 57.085 55.300 -0.032 0.000 1.097 1318 M CB -0.513 32.105 32.600 0.030 0.000 1.382 1318 M HN 0.204 nan 8.290 nan 0.000 0.413 1319 R N -0.415 119.907 120.500 -0.297 0.000 2.075 1319 R HA -0.102 4.239 4.340 0.000 0.000 0.226 1319 R C 1.894 178.107 176.300 -0.145 0.000 1.114 1319 R CA 1.649 57.471 56.100 -0.462 0.000 0.972 1319 R CB -0.214 29.590 30.300 -0.826 0.000 0.869 1319 R HN 0.454 nan 8.270 nan 0.000 0.437 1320 E N -0.471 119.661 120.200 -0.113 0.000 2.118 1320 E HA -0.152 4.198 4.350 0.000 0.000 0.195 1320 E C 1.770 178.391 176.600 0.034 0.000 0.992 1320 E CA 1.854 58.237 56.400 -0.029 0.000 0.804 1320 E CB -0.017 29.658 29.700 -0.042 0.000 0.741 1320 E HN 0.346 nan 8.360 nan 0.000 0.458 1321 T N 0.236 114.795 114.554 0.009 0.000 2.821 1321 T HA -0.153 4.197 4.350 0.000 0.000 0.267 1321 T C 1.945 176.668 174.700 0.039 0.000 1.046 1321 T CA 0.751 62.865 62.100 0.023 0.000 1.139 1321 T CB -0.369 68.508 68.868 0.014 0.000 0.871 1321 T HN 0.311 nan 8.240 nan 0.000 0.454 1322 C N 1.014 120.348 119.300 0.057 0.000 2.419 1322 C HA -0.081 4.379 4.460 0.000 0.000 0.281 1322 C C 2.585 177.637 174.990 0.102 0.000 1.336 1322 C CA 0.974 60.045 59.018 0.089 0.000 1.770 1322 C CB -1.141 26.701 27.740 0.170 0.000 1.929 1322 C HN 0.705 nan 8.230 nan 0.000 0.509 1323 H N 0.864 119.946 119.070 0.019 0.000 2.343 1323 H HA -0.024 4.532 4.556 0.000 0.000 0.303 1323 H C 2.069 177.401 175.328 0.007 0.000 1.068 1323 H CA 2.208 58.266 56.048 0.017 0.000 1.359 1323 H CB -0.311 29.455 29.762 0.006 0.000 1.402 1323 H HN 0.572 nan 8.280 nan 0.000 0.515 1324 E N -0.201 119.948 120.200 -0.086 0.000 2.118 1324 E HA -0.139 4.211 4.350 0.000 0.000 0.195 1324 E C 2.342 178.869 176.600 -0.122 0.000 0.992 1324 E CA 1.389 57.708 56.400 -0.136 0.000 0.804 1324 E CB 0.018 29.700 29.700 -0.030 0.000 0.741 1324 E HN 0.289 nan 8.360 nan 0.000 0.458 1325 V N 0.943 120.816 119.914 -0.070 0.000 2.323 1325 V HA -0.204 3.916 4.120 0.000 0.000 0.244 1325 V C 2.150 178.204 176.094 -0.067 0.000 1.041 1325 V CA 1.156 63.424 62.300 -0.053 0.000 1.025 1325 V CB -0.312 31.497 31.823 -0.024 0.000 0.656 1325 V HN 0.170 nan 8.190 nan 0.000 0.451 1326 L N 0.238 121.422 121.223 -0.065 0.000 2.046 1326 L HA -0.169 4.171 4.340 0.000 0.000 0.208 1326 L C 2.394 179.211 176.870 -0.089 0.000 1.077 1326 L CA 1.918 56.725 54.840 -0.055 0.000 0.747 1326 L CB -1.002 41.044 42.059 -0.021 0.000 0.896 1326 L HN 0.333 nan 8.230 nan 0.000 0.432 1327 K N -0.490 119.808 120.400 -0.168 0.000 2.057 1327 K HA -0.254 4.067 4.320 0.000 0.000 0.207 1327 K C 2.105 178.635 176.600 -0.117 0.000 1.049 1327 K CA 1.608 57.781 56.287 -0.190 0.000 0.931 1327 K CB 0.066 32.346 32.500 -0.365 0.000 0.714 1327 K HN 0.202 nan 8.250 nan 0.000 0.440 1328 E N 1.009 121.146 120.200 -0.105 0.000 2.015 1328 E HA -0.132 4.218 4.350 0.000 0.000 0.191 1328 E C 1.824 178.387 176.600 -0.062 0.000 0.991 1328 E CA 1.456 57.812 56.400 -0.074 0.000 0.802 1328 E CB -0.291 29.371 29.700 -0.065 0.000 0.759 1328 E HN 0.356 nan 8.360 nan 0.000 0.447 1329 L N 0.244 121.431 121.223 -0.060 0.000 2.549 1329 L HA 0.041 4.381 4.340 0.000 0.000 0.229 1329 L C 1.867 178.710 176.870 -0.045 0.000 1.158 1329 L CA 0.293 55.100 54.840 -0.054 0.000 0.842 1329 L CB -1.209 40.818 42.059 -0.052 0.000 0.952 1329 L HN 0.429 nan 8.230 nan 0.000 0.452 1330 G N 0.854 109.625 108.800 -0.047 0.000 2.689 1330 G HA2 -0.456 3.504 3.960 0.000 0.000 0.371 1330 G HA3 -0.456 3.504 3.960 0.000 0.000 0.371 1330 G C 0.749 175.633 174.900 -0.025 0.000 1.062 1330 G CA 1.203 46.281 45.100 -0.038 0.000 0.873 1330 G HN 0.322 nan 8.290 nan 0.000 0.697 1331 T N 1.324 115.865 114.554 -0.022 0.000 4.354 1331 T HA 0.376 4.726 4.350 0.000 0.000 0.234 1331 T C 1.197 175.888 174.700 -0.015 0.000 0.798 1331 T CA 1.504 63.595 62.100 -0.015 0.000 0.885 1331 T CB -0.054 68.806 68.868 -0.013 0.000 1.350 1331 T HN 0.610 nan 8.240 nan 0.000 0.755 1332 K N 0.510 120.900 120.400 -0.016 0.000 2.591 1332 K HA 0.110 4.430 4.320 0.000 0.000 0.207 1332 K C 0.350 176.945 176.600 -0.008 0.000 1.711 1332 K CA 0.056 56.334 56.287 -0.015 0.000 1.059 1332 K CB 0.643 33.127 32.500 -0.027 0.000 1.449 1332 K HN 0.060 nan 8.250 nan 0.000 0.605 1333 D N 0.712 121.107 120.400 -0.008 0.000 2.623 1333 D HA 0.091 4.731 4.640 0.000 0.000 0.252 1333 D C -0.240 176.064 176.300 0.007 0.000 1.294 1333 D CA 0.165 54.164 54.000 -0.001 0.000 0.824 1333 D CB 0.617 41.412 40.800 -0.008 0.000 1.070 1333 D HN 0.133 nan 8.370 nan 0.000 0.487 1334 D N 0.361 120.765 120.400 0.007 0.000 2.137 1334 D HA -0.085 4.555 4.640 0.000 0.000 0.202 1334 D C 2.386 178.698 176.300 0.021 0.000 0.970 1334 D CA 0.620 54.628 54.000 0.013 0.000 0.837 1334 D CB 0.258 41.063 40.800 0.010 0.000 0.981 1334 D HN 0.421 nan 8.370 nan 0.000 0.475 1335 L N -0.633 120.604 121.223 0.022 0.000 2.083 1335 L HA -0.017 4.323 4.340 0.000 0.000 0.209 1335 L C 1.658 178.550 176.870 0.037 0.000 1.083 1335 L CA 0.746 55.604 54.840 0.030 0.000 0.752 1335 L CB -0.706 41.372 42.059 0.031 0.000 0.899 1335 L HN -0.116 nan 8.230 nan 0.000 0.433 1336 L N 1.513 122.755 121.223 0.031 0.000 2.974 1336 L HA 0.054 4.394 4.340 0.000 0.000 0.250 1336 L C 1.564 178.455 176.870 0.035 0.000 1.376 1336 L CA 0.726 55.585 54.840 0.032 0.000 1.170 1336 L CB -1.182 40.888 42.059 0.019 0.000 1.577 1336 L HN 0.393 nan 8.230 nan 0.000 0.429 1337 E N -1.230 118.995 120.200 0.041 0.000 2.474 1337 E HA -0.038 4.313 4.350 0.000 0.000 0.195 1337 E C 1.704 178.334 176.600 0.050 0.000 1.039 1337 E CA 0.572 56.999 56.400 0.045 0.000 0.881 1337 E CB 0.391 30.113 29.700 0.037 0.000 0.970 1337 E HN 0.514 nan 8.360 nan 0.000 0.486 1338 V N -2.379 117.568 119.914 0.054 0.000 3.217 1338 V HA 0.105 4.225 4.120 0.000 0.000 0.264 1338 V C 2.072 178.223 176.094 0.095 0.000 1.135 1338 V CA 1.125 63.461 62.300 0.060 0.000 1.142 1338 V CB -0.193 31.677 31.823 0.079 0.000 0.754 1338 V HN 0.263 nan 8.190 nan 0.000 0.484 1339 A N 0.513 123.387 122.820 0.090 0.000 1.933 1339 A HA -0.123 4.197 4.320 0.000 0.000 0.218 1339 A C 2.281 180.002 177.584 0.229 0.000 1.175 1339 A CA 2.305 54.417 52.037 0.124 0.000 0.628 1339 A CB -0.470 18.551 19.000 0.035 0.000 0.814 1339 A HN 0.572 nan 8.150 nan 0.000 0.444 1340 M N -1.289 118.402 119.600 0.152 0.000 2.419 1340 M HA -0.053 4.427 4.480 0.000 0.000 0.264 1340 M C 1.832 178.184 176.300 0.086 0.000 1.082 1340 M CA 1.673 57.057 55.300 0.140 0.000 1.119 1340 M CB 0.098 32.758 32.600 0.100 0.000 1.398 1340 M HN 0.440 nan 8.290 nan 0.000 0.453 1341 E N 0.631 120.863 120.200 0.054 0.000 2.170 1341 E HA -0.060 4.290 4.350 0.000 0.000 0.191 1341 E C 1.672 178.233 176.600 -0.066 0.000 0.981 1341 E CA 1.146 57.531 56.400 -0.025 0.000 0.830 1341 E CB -0.288 29.376 29.700 -0.059 0.000 0.775 1341 E HN 0.555 nan 8.360 nan 0.000 0.470 1342 L N 0.355 121.604 121.223 0.043 0.000 2.156 1342 L HA 0.003 4.343 4.340 0.000 0.000 0.208 1342 L C 2.562 179.399 176.870 -0.056 0.000 1.095 1342 L CA 1.300 56.165 54.840 0.042 0.000 0.770 1342 L CB -0.287 42.016 42.059 0.406 0.000 0.914 1342 L HN 0.212 nan 8.230 nan 0.000 0.439 1343 E N 0.336 120.577 120.200 0.068 0.000 2.152 1343 E HA -0.232 4.118 4.350 0.000 0.000 0.192 1343 E C 1.829 178.389 176.600 -0.067 0.000 0.983 1343 E CA 1.093 57.472 56.400 -0.035 0.000 0.818 1343 E CB 0.162 29.972 29.700 0.183 0.000 0.758 1343 E HN 0.386 nan 8.360 nan 0.000 0.467 1344 N N 0.426 119.091 118.700 -0.058 0.000 2.080 1344 N HA -0.098 4.642 4.740 0.000 0.000 0.189 1344 N C 1.870 177.281 175.510 -0.165 0.000 1.036 1344 N CA 1.276 54.281 53.050 -0.075 0.000 0.846 1344 N CB -0.066 38.388 38.487 -0.054 0.000 1.015 1344 N HN 0.126 nan 8.380 nan 0.000 0.423 1345 I N 0.406 120.806 120.570 -0.284 0.000 2.163 1345 I HA -0.306 3.864 4.170 0.000 0.000 0.243 1345 I C 2.243 177.927 176.117 -0.723 0.000 1.085 1345 I CA 1.264 62.285 61.300 -0.463 0.000 1.347 1345 I CB -0.531 37.078 38.000 -0.652 0.000 1.044 1345 I HN 0.238 nan 8.210 nan 0.000 0.408 1346 A N 0.627 122.929 122.820 -0.864 0.000 1.883 1346 A HA -0.213 4.107 4.320 0.000 0.000 0.217 1346 A C 2.134 179.625 177.584 -0.154 0.000 1.186 1346 A CA 1.642 53.262 52.037 -0.695 0.000 0.624 1346 A CB -0.736 18.056 19.000 -0.347 0.000 0.822 1346 A HN 0.308 nan 8.150 nan 0.000 0.444 1347 L N 0.075 121.234 121.223 -0.107 0.000 2.056 1347 L HA -0.112 4.228 4.340 0.000 0.000 0.207 1347 L C 2.085 178.963 176.870 0.014 0.000 1.078 1347 L CA 1.791 56.630 54.840 -0.001 0.000 0.749 1347 L CB -0.610 41.451 42.059 0.003 0.000 0.901 1347 L HN 0.421 nan 8.230 nan 0.000 0.433 1348 N N -1.787 116.902 118.700 -0.018 0.000 2.508 1348 N HA -0.048 4.692 4.740 0.000 0.000 0.186 1348 N C 0.420 175.965 175.510 0.058 0.000 1.034 1348 N CA 0.053 53.114 53.050 0.020 0.000 0.885 1348 N CB -0.133 38.360 38.487 0.010 0.000 1.135 1348 N HN 0.251 nan 8.380 nan 0.000 0.435 1349 D N 2.965 123.394 120.400 0.049 0.000 2.586 1349 D HA -0.055 4.585 4.640 0.000 0.000 0.234 1349 D C -1.601 174.845 176.300 0.243 0.000 1.132 1349 D CA -0.950 53.154 54.000 0.174 0.000 0.860 1349 D CB 1.570 42.510 40.800 0.233 0.000 1.159 1349 D HN 0.031 nan 8.370 nan 0.000 0.490 1350 P HA -0.155 nan 4.420 nan 0.000 0.218 1350 P C 1.050 178.473 177.300 0.205 0.000 1.148 1350 P CA 0.810 64.010 63.100 0.167 0.000 0.822 1350 P CB -0.074 31.699 31.700 0.122 0.000 0.784 1351 Y N -0.892 119.489 120.300 0.136 0.000 2.352 1351 Y HA -0.132 4.418 4.550 0.000 0.000 0.292 1351 Y C 1.662 177.500 175.900 -0.103 0.000 1.136 1351 Y CA 1.301 59.408 58.100 0.011 0.000 1.227 1351 Y CB -0.763 37.692 38.460 -0.009 0.000 0.991 1351 Y HN -0.131 nan 8.280 nan 0.000 0.545 1352 F N -1.184 118.706 119.950 -0.100 0.000 2.446 1352 F HA 0.048 4.575 4.527 0.000 0.000 0.292 1352 F C 2.133 177.871 175.800 -0.104 0.000 1.096 1352 F CA 0.573 58.459 58.000 -0.189 0.000 1.438 1352 F CB -0.423 38.482 39.000 -0.158 0.000 1.107 1352 F HN -0.074 nan 8.300 nan 0.000 0.546 1353 I N -0.449 120.205 120.570 0.140 0.000 2.439 1353 I HA -0.149 4.021 4.170 0.000 0.000 0.251 1353 I C 2.508 178.648 176.117 0.039 0.000 1.139 1353 I CA 0.920 62.278 61.300 0.097 0.000 1.438 1353 I CB -0.230 37.827 38.000 0.094 0.000 1.085 1353 I HN 0.087 nan 8.210 nan 0.000 0.427 1354 E N 1.659 121.856 120.200 -0.005 0.000 2.046 1354 E HA -0.176 4.174 4.350 0.000 0.000 0.190 1354 E C 1.593 178.134 176.600 -0.097 0.000 0.982 1354 E CA 1.306 57.684 56.400 -0.037 0.000 0.800 1354 E CB 0.210 29.894 29.700 -0.027 0.000 0.756 1354 E HN 0.195 nan 8.360 nan 0.000 0.449 1355 K N 0.643 120.909 120.400 -0.222 0.000 2.404 1355 K HA 0.090 4.410 4.320 0.000 0.000 0.194 1355 K C 0.051 176.559 176.600 -0.153 0.000 1.023 1355 K CA -0.024 56.111 56.287 -0.253 0.000 1.094 1355 K CB 0.308 32.511 32.500 -0.494 0.000 0.841 1355 K HN -0.048 nan 8.250 nan 0.000 0.523 1356 K N 0.460 120.826 120.400 -0.057 0.000 3.071 1356 K HA -0.194 4.126 4.320 0.000 0.000 0.265 1356 K C -0.768 175.826 176.600 -0.010 0.000 1.060 1356 K CA 0.509 56.836 56.287 0.066 0.000 0.767 1356 K CB -2.242 30.337 32.500 0.133 0.000 1.241 1356 K HN 0.264 nan 8.250 nan 0.000 0.486 1357 L N 2.384 123.571 121.223 -0.061 0.000 2.391 1357 L HA 0.095 4.435 4.340 0.000 0.000 0.249 1357 L C 0.734 177.687 176.870 0.139 0.000 1.308 1357 L CA -0.680 54.125 54.840 -0.057 0.000 1.209 1357 L CB -0.792 41.186 42.059 -0.136 0.000 1.401 1357 L HN 0.082 nan 8.230 nan 0.000 0.416 1358 Y N 0.924 121.364 120.300 0.234 0.000 2.304 1358 Y HA 0.540 5.090 4.550 0.000 0.000 0.327 1358 Y C -2.466 173.565 175.900 0.219 0.000 1.209 1358 Y CA -4.272 53.955 58.100 0.212 0.000 1.299 1358 Y CB -0.494 38.078 38.460 0.187 0.000 1.249 1358 Y HN 0.178 nan 8.280 nan 0.000 0.519 1359 P HA 0.062 nan 4.420 nan 0.000 0.269 1359 P C -0.891 176.656 177.300 0.411 0.000 1.252 1359 P CA 0.096 63.220 63.100 0.040 0.000 0.780 1359 P CB 0.327 31.869 31.700 -0.265 0.000 0.829 1360 N N 2.279 121.188 118.700 0.347 0.000 2.514 1360 N HA 0.074 4.814 4.740 0.000 0.000 0.299 1360 N C 0.990 176.749 175.510 0.416 0.000 1.292 1360 N CA -0.657 52.656 53.050 0.439 0.000 0.963 1360 N CB -0.586 38.150 38.487 0.415 0.000 1.124 1360 N HN 0.044 nan 8.380 nan 0.000 0.580 1361 V N -0.429 119.667 119.914 0.303 0.000 2.515 1361 V HA -0.154 3.966 4.120 0.000 0.000 0.250 1361 V C 0.679 176.915 176.094 0.237 0.000 1.058 1361 V CA 1.926 64.373 62.300 0.244 0.000 1.064 1361 V CB -0.895 30.952 31.823 0.040 0.000 0.675 1361 V HN 0.547 nan 8.190 nan 0.000 0.461 1362 D N -0.780 119.750 120.400 0.216 0.000 2.371 1362 D HA -0.097 4.543 4.640 0.000 0.000 0.221 1362 D C 1.647 177.997 176.300 0.084 0.000 0.986 1362 D CA 0.848 54.954 54.000 0.176 0.000 0.899 1362 D CB -0.019 40.898 40.800 0.195 0.000 0.902 1362 D HN 0.599 nan 8.370 nan 0.000 0.530 1363 F N 0.515 120.400 119.950 -0.108 0.000 2.118 1363 F HA -0.152 4.375 4.527 0.000 0.000 0.293 1363 F C 1.716 177.318 175.800 -0.331 0.000 1.102 1363 F CA 1.212 59.000 58.000 -0.352 0.000 1.247 1363 F CB -0.394 38.240 39.000 -0.610 0.000 1.017 1363 F HN -0.132 nan 8.300 nan 0.000 0.475 1364 Y N -0.292 120.003 120.300 -0.009 0.000 2.457 1364 Y HA -0.014 4.536 4.550 0.000 0.000 0.292 1364 Y C 2.593 178.429 175.900 -0.108 0.000 1.125 1364 Y CA 0.932 58.974 58.100 -0.096 0.000 1.254 1364 Y CB -0.873 37.624 38.460 0.061 0.000 1.012 1364 Y HN -0.010 nan 8.280 nan 0.000 0.555 1365 S N -0.148 115.584 115.700 0.053 0.000 2.387 1365 S HA -0.111 4.359 4.470 0.000 0.000 0.226 1365 S C 2.405 176.874 174.600 -0.218 0.000 1.026 1365 S CA 1.078 59.265 58.200 -0.020 0.000 0.972 1365 S CB -0.770 62.478 63.200 0.080 0.000 0.814 1365 S HN 0.647 nan 8.310 nan 0.000 0.477 1366 G N 1.788 110.446 108.800 -0.237 0.000 2.422 1366 G HA2 -0.117 3.843 3.960 0.000 0.000 0.218 1366 G HA3 -0.117 3.843 3.960 0.000 0.000 0.218 1366 G C 1.325 176.088 174.900 -0.228 0.000 1.146 1366 G CA 0.550 45.476 45.100 -0.289 0.000 0.769 1366 G HN 0.475 nan 8.290 nan 0.000 0.547 1367 I N 0.478 120.895 120.570 -0.255 0.000 2.202 1367 I HA -0.115 4.055 4.170 0.000 0.000 0.242 1367 I C 2.645 178.701 176.117 -0.102 0.000 1.091 1367 I CA 0.814 62.000 61.300 -0.190 0.000 1.368 1367 I CB -0.194 37.670 38.000 -0.227 0.000 1.058 1367 I HN 0.138 nan 8.210 nan 0.000 0.410 1368 I N 0.497 121.012 120.570 -0.091 0.000 2.226 1368 I HA -0.290 3.880 4.170 0.000 0.000 0.245 1368 I C 2.450 178.519 176.117 -0.081 0.000 1.100 1368 I CA 1.456 62.720 61.300 -0.059 0.000 1.374 1368 I CB -0.276 37.704 38.000 -0.033 0.000 1.057 1368 I HN 0.214 nan 8.210 nan 0.000 0.413 1369 L N 0.426 121.541 121.223 -0.180 0.000 2.093 1369 L HA -0.194 4.146 4.340 0.000 0.000 0.208 1369 L C 2.521 179.386 176.870 -0.009 0.000 1.085 1369 L CA 1.404 56.127 54.840 -0.195 0.000 0.755 1369 L CB -0.477 41.182 42.059 -0.666 0.000 0.904 1369 L HN 0.193 nan 8.230 nan 0.000 0.435 1370 K N -0.015 120.403 120.400 0.031 0.000 2.097 1370 K HA -0.096 4.224 4.320 0.000 0.000 0.205 1370 K C 2.259 178.891 176.600 0.053 0.000 1.050 1370 K CA 1.192 57.555 56.287 0.127 0.000 0.938 1370 K CB -0.203 32.368 32.500 0.117 0.000 0.718 1370 K HN 0.257 nan 8.250 nan 0.000 0.442 1371 A N 1.513 124.337 122.820 0.007 0.000 1.877 1371 A HA -0.168 4.152 4.320 0.000 0.000 0.216 1371 A C 2.128 179.695 177.584 -0.028 0.000 1.186 1371 A CA 1.563 53.593 52.037 -0.012 0.000 0.620 1371 A CB -0.502 18.484 19.000 -0.023 0.000 0.822 1371 A HN 0.187 nan 8.150 nan 0.000 0.443 1372 M N -1.592 117.993 119.600 -0.025 0.000 2.374 1372 M HA 0.074 4.554 4.480 0.000 0.000 0.264 1372 M C 1.343 177.572 176.300 -0.119 0.000 1.067 1372 M CA 1.162 56.423 55.300 -0.065 0.000 1.103 1372 M CB -0.113 32.495 32.600 0.013 0.000 1.402 1372 M HN 0.702 nan 8.290 nan 0.000 0.444 1373 G N 1.625 110.426 108.800 0.002 0.000 2.173 1373 G HA2 -0.164 3.796 3.960 0.000 0.000 0.174 1373 G HA3 -0.164 3.796 3.960 0.000 0.000 0.174 1373 G C -0.218 174.799 174.900 0.196 0.000 1.025 1373 G CA -0.652 44.475 45.100 0.046 0.000 0.706 1373 G HN 0.405 nan 8.290 nan 0.000 0.499 1374 I N 2.516 123.221 120.570 0.226 0.000 2.321 1374 I HA 0.310 4.480 4.170 0.000 0.000 0.291 1374 I C -1.433 174.871 176.117 0.312 0.000 0.998 1374 I CA -2.479 58.958 61.300 0.229 0.000 1.227 1374 I CB 1.576 39.703 38.000 0.212 0.000 1.368 1374 I HN -0.049 nan 8.210 nan 0.000 0.466 1375 P HA -0.029 nan 4.420 nan 0.000 0.266 1375 P C 0.731 177.873 177.300 -0.263 0.000 1.193 1375 P CA 0.019 63.146 63.100 0.045 0.000 0.770 1375 P CB 0.718 32.471 31.700 0.088 0.000 0.836 1376 S N 2.073 117.442 115.700 -0.551 0.000 2.365 1376 S HA -0.235 4.235 4.470 0.000 0.000 0.225 1376 S C 1.979 176.040 174.600 -0.898 0.000 1.039 1376 S CA 1.873 59.338 58.200 -1.225 0.000 1.033 1376 S CB -1.814 61.040 63.200 -0.577 0.000 0.887 1376 S HN 0.656 nan 8.310 nan 0.000 0.447 1377 S N 1.752 117.228 115.700 -0.373 0.000 2.419 1377 S HA 0.031 4.501 4.470 0.000 0.000 0.235 1377 S C 1.624 176.195 174.600 -0.048 0.000 1.019 1377 S CA 1.135 59.227 58.200 -0.180 0.000 0.982 1377 S CB -0.665 62.291 63.200 -0.407 0.000 0.789 1377 S HN 0.390 nan 8.310 nan 0.000 0.490 1378 M N 0.663 120.243 119.600 -0.033 0.000 2.633 1378 M HA 0.319 4.799 4.480 0.000 0.000 0.226 1378 M C 0.752 177.260 176.300 0.347 0.000 1.137 1378 M CA 0.089 55.471 55.300 0.137 0.000 1.020 1378 M CB -1.314 31.362 32.600 0.126 0.000 1.675 1378 M HN 0.444 nan 8.290 nan 0.000 0.500 1379 F N -0.140 119.827 119.950 0.029 0.000 2.179 1379 F HA -0.081 4.446 4.527 0.000 0.000 0.292 1379 F C 2.117 177.902 175.800 -0.026 0.000 1.089 1379 F CA 0.729 58.729 58.000 0.001 0.000 1.295 1379 F CB -0.278 38.736 39.000 0.023 0.000 1.041 1379 F HN 0.119 nan 8.300 nan 0.000 0.487 1380 T N -0.062 114.627 114.554 0.225 0.000 3.035 1380 T HA -0.060 4.290 4.350 0.000 0.000 0.268 1380 T C 1.964 176.691 174.700 0.046 0.000 1.109 1380 T CA 0.418 62.594 62.100 0.128 0.000 1.119 1380 T CB -0.202 68.774 68.868 0.181 0.000 0.900 1380 T HN -0.010 nan 8.240 nan 0.000 0.503 1381 V N 1.445 121.384 119.914 0.042 0.000 2.270 1381 V HA -0.091 4.029 4.120 0.000 0.000 0.245 1381 V C 2.327 178.396 176.094 -0.043 0.000 1.043 1381 V CA 1.439 63.734 62.300 -0.009 0.000 1.014 1381 V CB -0.456 31.377 31.823 0.016 0.000 0.645 1381 V HN 0.475 nan 8.190 nan 0.000 0.447 1382 I N 0.321 120.863 120.570 -0.047 0.000 2.394 1382 I HA -0.190 3.980 4.170 0.000 0.000 0.251 1382 I C 2.585 178.544 176.117 -0.263 0.000 1.136 1382 I CA 1.244 62.442 61.300 -0.171 0.000 1.425 1382 I CB -0.486 37.444 38.000 -0.117 0.000 1.079 1382 I HN 0.281 nan 8.210 nan 0.000 0.425 1383 A N 0.711 123.384 122.820 -0.246 0.000 1.898 1383 A HA -0.110 4.211 4.320 0.000 0.000 0.216 1383 A C 2.532 179.992 177.584 -0.207 0.000 1.181 1383 A CA 1.720 53.540 52.037 -0.363 0.000 0.620 1383 A CB -0.735 18.116 19.000 -0.249 0.000 0.819 1383 A HN 0.403 nan 8.150 nan 0.000 0.442 1384 A N -0.605 122.163 122.820 -0.087 0.000 1.930 1384 A HA -0.069 4.251 4.320 0.000 0.000 0.217 1384 A C 2.254 179.776 177.584 -0.104 0.000 1.175 1384 A CA 1.700 53.730 52.037 -0.012 0.000 0.627 1384 A CB -0.540 18.576 19.000 0.194 0.000 0.815 1384 A HN 0.628 nan 8.150 nan 0.000 0.443 1385 M N -0.252 119.282 119.600 -0.111 0.000 2.159 1385 M HA -0.147 4.333 4.480 0.000 0.000 0.263 1385 M C 2.128 178.332 176.300 -0.160 0.000 1.063 1385 M CA 1.824 57.049 55.300 -0.125 0.000 1.110 1385 M CB -0.240 32.227 32.600 -0.221 0.000 1.374 1385 M HN 0.397 nan 8.290 nan 0.000 0.411 1386 A N 0.230 122.912 122.820 -0.230 0.000 1.930 1386 A HA -0.132 4.188 4.320 0.000 0.000 0.215 1386 A C 2.034 179.541 177.584 -0.128 0.000 1.176 1386 A CA 1.488 53.415 52.037 -0.183 0.000 0.632 1386 A CB -0.551 18.340 19.000 -0.182 0.000 0.819 1386 A HN 0.539 nan 8.150 nan 0.000 0.445 1387 R N 0.145 120.435 120.500 -0.350 0.000 2.235 1387 R HA -0.019 4.321 4.340 0.000 0.000 0.213 1387 R C 1.684 177.440 176.300 -0.906 0.000 1.059 1387 R CA 1.822 57.523 56.100 -0.665 0.000 0.997 1387 R CB -1.337 28.377 30.300 -0.976 0.000 0.884 1387 R HN 0.439 nan 8.270 nan 0.000 0.462 1388 T N -0.530 113.689 114.554 -0.560 0.000 2.803 1388 T HA -0.142 4.208 4.350 0.000 0.000 0.269 1388 T C 1.688 176.388 174.700 0.000 0.000 1.052 1388 T CA 1.392 63.444 62.100 -0.081 0.000 1.136 1388 T CB -0.334 68.616 68.868 0.135 0.000 0.864 1388 T HN 0.138 nan 8.240 nan 0.000 0.467 1389 V N 1.272 121.157 119.914 -0.048 0.000 2.515 1389 V HA -0.012 4.108 4.120 0.000 0.000 0.250 1389 V C 2.428 178.494 176.094 -0.046 0.000 1.058 1389 V CA 2.187 64.455 62.300 -0.052 0.000 1.064 1389 V CB -0.920 30.827 31.823 -0.126 0.000 0.675 1389 V HN 0.551 nan 8.190 nan 0.000 0.461 1390 G N -1.276 107.476 108.800 -0.081 0.000 2.394 1390 G HA2 -0.204 3.756 3.960 0.000 0.000 0.214 1390 G HA3 -0.204 3.756 3.960 0.000 0.000 0.214 1390 G C 1.324 176.391 174.900 0.278 0.000 1.176 1390 G CA 0.748 45.864 45.100 0.027 0.000 0.786 1390 G HN 0.560 nan 8.290 nan 0.000 0.533 1391 W N 1.140 122.549 121.300 0.182 0.000 2.325 1391 W HA -0.020 4.640 4.660 0.000 0.000 0.299 1391 W C 2.473 179.105 176.519 0.188 0.000 1.215 1391 W CA 0.462 57.911 57.345 0.174 0.000 1.244 1391 W CB -0.854 28.646 29.460 0.068 0.000 1.140 1391 W HN 0.217 nan 8.180 nan 0.000 0.523 1392 I N -0.150 120.607 120.570 0.312 0.000 2.353 1392 I HA -0.209 3.962 4.170 0.000 0.000 0.248 1392 I C 2.550 178.820 176.117 0.254 0.000 1.119 1392 I CA 1.213 62.644 61.300 0.219 0.000 1.417 1392 I CB -0.977 37.053 38.000 0.050 0.000 1.078 1392 I HN -0.186 nan 8.210 nan 0.000 0.421 1393 A N 0.530 123.430 122.820 0.133 0.000 1.902 1393 A HA -0.212 4.108 4.320 0.000 0.000 0.217 1393 A C 2.242 179.817 177.584 -0.016 0.000 1.181 1393 A CA 1.488 53.522 52.037 -0.005 0.000 0.623 1393 A CB -0.847 18.072 19.000 -0.136 0.000 0.818 1393 A HN 0.401 nan 8.150 nan 0.000 0.443 1394 H N -2.630 116.549 119.070 0.183 0.000 2.276 1394 H HA -0.164 4.392 4.556 0.000 0.000 0.301 1394 H C 2.024 177.480 175.328 0.214 0.000 1.073 1394 H CA 1.734 57.889 56.048 0.178 0.000 1.311 1394 H CB -0.682 29.205 29.762 0.209 0.000 1.379 1394 H HN 0.805 nan 8.280 nan 0.000 0.494 1395 W N 2.285 123.717 121.300 0.221 0.000 2.331 1395 W HA -0.219 4.442 4.660 0.000 0.000 0.291 1395 W C 2.222 178.859 176.519 0.196 0.000 1.214 1395 W CA 1.909 59.361 57.345 0.178 0.000 1.228 1395 W CB -0.063 29.484 29.460 0.145 0.000 1.135 1395 W HN -0.037 nan 8.180 nan 0.000 0.537 1396 S N -0.310 115.551 115.700 0.268 0.000 2.395 1396 S HA -0.168 4.303 4.470 0.000 0.000 0.225 1396 S C 1.609 176.170 174.600 -0.066 0.000 1.027 1396 S CA 1.219 59.413 58.200 -0.009 0.000 0.965 1396 S CB -0.399 62.890 63.200 0.147 0.000 0.812 1396 S HN 0.440 nan 8.310 nan 0.000 0.482 1397 E N 0.902 121.090 120.200 -0.020 0.000 2.204 1397 E HA -0.115 4.235 4.350 0.000 0.000 0.194 1397 E C 2.041 178.600 176.600 -0.069 0.000 0.989 1397 E CA 0.685 57.056 56.400 -0.048 0.000 0.824 1397 E CB -0.077 29.592 29.700 -0.051 0.000 0.756 1397 E HN 0.329 nan 8.360 nan 0.000 0.477 1398 M N 0.044 119.593 119.600 -0.085 0.000 2.132 1398 M HA -0.141 4.339 4.480 0.000 0.000 0.263 1398 M C 1.057 177.193 176.300 -0.274 0.000 1.065 1398 M CA 1.768 56.971 55.300 -0.162 0.000 1.122 1398 M CB -0.482 32.017 32.600 -0.168 0.000 1.365 1398 M HN 0.146 nan 8.290 nan 0.000 0.411 1399 H N -0.177 118.675 119.070 -0.364 0.000 2.563 1399 H HA 0.029 4.585 4.556 0.000 0.000 0.272 1399 H C 1.869 177.059 175.328 -0.229 0.000 1.005 1399 H CA 1.218 57.045 56.048 -0.368 0.000 1.171 1399 H CB 0.106 29.516 29.762 -0.587 0.000 1.351 1399 H HN 0.526 nan 8.280 nan 0.000 0.602 1400 S N -1.611 114.033 115.700 -0.093 0.000 2.520 1400 S HA -0.000 4.470 4.470 0.000 0.000 0.219 1400 S C 0.963 175.519 174.600 -0.073 0.000 1.028 1400 S CA -0.255 57.904 58.200 -0.068 0.000 0.921 1400 S CB 0.454 63.619 63.200 -0.058 0.000 0.844 1400 S HN 0.097 nan 8.310 nan 0.000 0.495 1401 D N 2.091 122.434 120.400 -0.094 0.000 2.344 1401 D HA 0.343 4.983 4.640 0.000 0.000 0.242 1401 D C 1.444 177.690 176.300 -0.091 0.000 1.159 1401 D CA 0.862 54.810 54.000 -0.086 0.000 0.859 1401 D CB -0.170 40.576 40.800 -0.090 0.000 0.925 1401 D HN 0.626 nan 8.370 nan 0.000 0.510 1402 G N 0.939 109.686 108.800 -0.090 0.000 2.184 1402 G HA2 -0.404 3.556 3.960 0.000 0.000 0.264 1402 G HA3 -0.404 3.556 3.960 0.000 0.000 0.264 1402 G C 0.722 175.554 174.900 -0.113 0.000 0.975 1402 G CA 0.213 45.263 45.100 -0.083 0.000 0.642 1402 G HN 0.439 nan 8.290 nan 0.000 0.536 1403 M N -0.126 119.377 119.600 -0.162 0.000 2.852 1403 M HA -0.181 4.299 4.480 0.000 0.000 0.176 1403 M C 0.870 177.069 176.300 -0.167 0.000 1.160 1403 M CA 1.287 56.450 55.300 -0.229 0.000 0.702 1403 M CB -0.453 31.962 32.600 -0.308 0.000 1.193 1403 M HN 0.645 nan 8.290 nan 0.000 0.775 1404 K N 3.083 123.401 120.400 -0.137 0.000 2.412 1404 K HA 0.217 4.537 4.320 0.000 0.000 0.284 1404 K C -0.494 176.039 176.600 -0.111 0.000 1.046 1404 K CA 0.111 56.333 56.287 -0.108 0.000 0.999 1404 K CB 0.145 32.586 32.500 -0.098 0.000 0.941 1404 K HN 0.639 nan 8.250 nan 0.000 0.474 1405 I N 2.639 123.155 120.570 -0.090 0.000 2.517 1405 I HA -0.019 4.151 4.170 0.000 0.000 0.285 1405 I C 0.648 176.724 176.117 -0.068 0.000 1.106 1405 I CA -0.357 60.898 61.300 -0.076 0.000 1.402 1405 I CB 0.804 38.772 38.000 -0.054 0.000 1.399 1405 I HN 0.695 nan 8.210 nan 0.000 0.535 1406 A N 8.109 130.891 122.820 -0.064 0.000 2.526 1406 A HA 0.111 4.431 4.320 0.000 0.000 0.287 1406 A C 0.444 178.008 177.584 -0.034 0.000 1.232 1406 A CA 0.159 52.163 52.037 -0.056 0.000 0.900 1406 A CB -0.553 18.423 19.000 -0.040 0.000 1.077 1406 A HN 0.761 nan 8.150 nan 0.000 0.535 1407 R N 3.532 124.006 120.500 -0.044 0.000 2.564 1407 R HA 0.263 4.603 4.340 0.000 0.000 0.282 1407 R C -2.320 173.953 176.300 -0.044 0.000 1.573 1407 R CA -1.116 54.963 56.100 -0.035 0.000 1.588 1407 R CB 0.946 31.222 30.300 -0.040 0.000 1.154 1407 R HN 0.670 nan 8.270 nan 0.000 0.606 1408 P HA 0.233 nan 4.420 nan 0.000 0.274 1408 P C -0.296 176.982 177.300 -0.035 0.000 1.256 1408 P CA -0.475 62.624 63.100 -0.001 0.000 0.795 1408 P CB 1.082 32.844 31.700 0.105 0.000 1.038 1409 R N 0.093 120.555 120.500 -0.064 0.000 2.603 1409 R HA 0.473 4.813 4.340 0.000 0.000 0.225 1409 R C 0.203 176.536 176.300 0.054 0.000 1.300 1409 R CA -0.471 55.589 56.100 -0.067 0.000 1.075 1409 R CB 0.017 30.180 30.300 -0.229 0.000 1.663 1409 R HN 0.732 nan 8.270 nan 0.000 0.546 1410 Q N -0.399 119.481 119.800 0.134 0.000 2.438 1410 Q HA 0.382 4.722 4.340 0.000 0.000 0.272 1410 Q C -1.542 174.615 176.000 0.261 0.000 0.994 1410 Q CA -0.912 55.008 55.803 0.195 0.000 0.887 1410 Q CB 1.132 29.968 28.738 0.163 0.000 1.432 1410 Q HN 0.279 nan 8.270 nan 0.000 0.392 1411 L N 2.897 124.299 121.223 0.298 0.000 2.295 1411 L HA 0.388 4.728 4.340 0.000 0.000 0.288 1411 L C -1.535 175.431 176.870 0.160 0.000 1.079 1411 L CA -0.113 54.835 54.840 0.180 0.000 0.830 1411 L CB 0.133 42.173 42.059 -0.032 0.000 1.200 1411 L HN 0.727 nan 8.230 nan 0.000 0.438 1412 Y N 3.997 124.328 120.300 0.052 0.000 2.365 1412 Y HA 0.413 4.963 4.550 0.000 0.000 0.340 1412 Y C 0.677 176.576 175.900 -0.003 0.000 1.016 1412 Y CA 0.217 58.336 58.100 0.033 0.000 1.196 1412 Y CB 0.976 39.462 38.460 0.043 0.000 1.167 1412 Y HN 0.759 nan 8.280 nan 0.000 0.509 1413 T N 2.135 116.345 114.554 -0.572 0.000 3.487 1413 T HA 0.487 4.837 4.350 0.000 0.000 0.287 1413 T C 0.384 174.713 174.700 -0.618 0.000 1.004 1413 T CA -0.097 61.728 62.100 -0.459 0.000 0.977 1413 T CB -0.346 68.367 68.868 -0.259 0.000 1.180 1413 T HN 0.749 nan 8.240 nan 0.000 0.490 1414 G N 0.370 108.478 108.800 -1.153 0.000 2.736 1414 G HA2 0.557 4.517 3.960 0.000 0.000 0.229 1414 G HA3 0.557 4.517 3.960 0.000 0.000 0.229 1414 G C -1.035 173.662 174.900 -0.340 0.000 1.380 1414 G CA -1.078 43.585 45.100 -0.729 0.000 1.040 1414 G HN 0.340 nan 8.290 nan 0.000 0.568 1415 Y N 0.767 121.069 120.300 0.004 0.000 2.497 1415 Y HA 0.276 4.826 4.550 0.000 0.000 0.334 1415 Y C 1.079 177.097 175.900 0.198 0.000 1.199 1415 Y CA 0.110 58.265 58.100 0.091 0.000 1.425 1415 Y CB 0.559 39.074 38.460 0.092 0.000 1.291 1415 Y HN 0.396 nan 8.280 nan 0.000 0.562 1416 E N 1.858 122.251 120.200 0.323 0.000 2.376 1416 E HA 0.106 4.456 4.350 0.000 0.000 0.254 1416 E C -0.177 176.540 176.600 0.194 0.000 1.213 1416 E CA -0.810 55.730 56.400 0.234 0.000 0.945 1416 E CB 0.354 30.148 29.700 0.155 0.000 1.057 1416 E HN 0.248 nan 8.360 nan 0.000 0.479 1417 K N 1.850 122.324 120.400 0.123 0.000 2.527 1417 K HA -0.038 4.282 4.320 0.000 0.000 0.278 1417 K C -0.646 175.996 176.600 0.071 0.000 0.981 1417 K CA 0.418 56.756 56.287 0.085 0.000 1.009 1417 K CB 0.204 32.735 32.500 0.052 0.000 0.895 1417 K HN 0.677 nan 8.250 nan 0.000 0.493 1418 R N 1.763 122.294 120.500 0.052 0.000 2.561 1418 R HA 0.289 4.629 4.340 0.000 0.000 0.266 1418 R C -1.314 175.008 176.300 0.037 0.000 1.091 1418 R CA -0.962 55.154 56.100 0.025 0.000 0.927 1418 R CB 0.635 30.922 30.300 -0.022 0.000 1.240 1418 R HN 0.326 nan 8.270 nan 0.000 0.449 1419 D N 1.876 122.295 120.400 0.032 0.000 2.400 1419 D HA 0.074 4.714 4.640 0.000 0.000 0.238 1419 D C -0.897 175.456 176.300 0.088 0.000 1.157 1419 D CA 0.375 54.408 54.000 0.056 0.000 0.889 1419 D CB 0.511 41.324 40.800 0.022 0.000 1.199 1419 D HN 0.397 nan 8.370 nan 0.000 0.436 1420 F N 1.564 121.497 119.950 -0.029 0.000 2.427 1420 F HA 0.406 4.933 4.527 0.000 0.000 0.346 1420 F C -0.425 175.361 175.800 -0.025 0.000 1.120 1420 F CA -0.903 57.078 58.000 -0.031 0.000 1.033 1420 F CB 1.139 40.125 39.000 -0.024 0.000 1.126 1420 F HN -0.094 nan 8.300 nan 0.000 0.462 1421 K N 4.886 124.721 120.400 -0.942 0.000 2.640 1421 K HA 0.290 4.610 4.320 0.000 0.000 0.245 1421 K C -1.308 174.747 176.600 -0.909 0.000 0.962 1421 K CA -0.437 55.378 56.287 -0.786 0.000 0.896 1421 K CB 1.437 33.728 32.500 -0.348 0.000 1.147 1421 K HN 0.567 nan 8.250 nan 0.000 0.445 1422 S N 2.816 117.955 115.700 -0.935 0.000 2.545 1422 S HA 0.290 4.760 4.470 0.000 0.000 0.275 1422 S C -0.472 174.011 174.600 -0.196 0.000 1.299 1422 S CA -0.318 57.617 58.200 -0.441 0.000 1.048 1422 S CB 0.387 63.531 63.200 -0.093 0.000 0.938 1422 S HN 0.503 nan 8.310 nan 0.000 0.496 1423 D N 3.609 123.942 120.400 -0.111 0.000 2.894 1423 D HA 0.313 4.953 4.640 0.000 0.000 0.273 1423 D C 0.210 176.494 176.300 -0.027 0.000 1.328 1423 D CA -0.010 53.950 54.000 -0.067 0.000 0.845 1423 D CB -0.201 40.562 40.800 -0.062 0.000 1.072 1423 D HN 0.652 nan 8.370 nan 0.000 0.484 1424 I N -4.023 116.541 120.570 -0.010 0.000 3.457 1424 I HA 0.658 4.828 4.170 0.000 0.000 0.307 1424 I C -0.760 175.364 176.117 0.010 0.000 1.138 1424 I CA -0.943 60.362 61.300 0.008 0.000 0.974 1424 I CB 2.536 40.552 38.000 0.027 0.000 1.324 1424 I HN -0.450 nan 8.210 nan 0.000 0.485 1425 K N 2.328 122.736 120.400 0.014 0.000 2.956 1425 K HA 0.474 4.795 4.320 0.000 0.000 0.239 1425 K C -1.400 175.208 176.600 0.015 0.000 1.253 1425 K CA -0.170 56.125 56.287 0.013 0.000 0.963 1425 K CB 0.940 33.444 32.500 0.007 0.000 1.297 1425 K HN 0.956 nan 8.250 nan 0.000 0.566 1426 R N 0.000 120.512 120.500 0.020 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 0.017 0.000 0.921 1426 R CB 0.000 30.309 30.300 0.015 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535