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 1owc_1_B DATA FIRST_RESID 1001 DATA SEQUENCE ADTKAKLTLN GDTAVELDVL KGTLGQDVID IRTLGSKGVF TFDPGFTSTA DATA SEQUENCE SCESKITFID GDEGILLHRG FPIDQLATDS NYLEVCYILL NGEKPTQEQY DATA SEQUENCE DEFKTTVTLH 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 VIFAMARTVG WIAHWSEMHS DATA SEQUENCE DGMKIARPRQ LYTGYEKRDF KSDIKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.582 177.584 -0.003 0.000 1.274 1001 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1001 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 1002 D N 0.547 120.945 120.400 -0.002 0.000 2.127 1002 D HA -0.044 4.596 4.640 0.000 0.000 0.206 1002 D C 1.100 177.401 176.300 0.001 0.000 0.989 1002 D CA 2.692 56.692 54.000 0.001 0.000 0.877 1002 D CB 0.278 41.080 40.800 0.002 0.000 1.042 1002 D HN 0.639 nan 8.370 nan 0.000 0.455 1003 T N -0.946 113.610 114.554 0.002 0.000 3.584 1003 T HA 0.199 4.549 4.350 0.000 0.000 0.259 1003 T C -0.779 173.923 174.700 0.003 0.000 1.009 1003 T CA -0.549 61.553 62.100 0.003 0.000 1.103 1003 T CB -0.325 68.546 68.868 0.005 0.000 1.099 1003 T HN -0.075 nan 8.240 nan 0.000 0.539 1004 K N 1.251 121.652 120.400 0.001 0.000 3.101 1004 K HA 0.531 4.851 4.320 0.000 0.000 0.229 1004 K C 0.969 177.569 176.600 -0.001 0.000 1.232 1004 K CA -0.142 56.145 56.287 0.000 0.000 1.210 1004 K CB 0.521 33.020 32.500 -0.002 0.000 1.284 1004 K HN 0.465 nan 8.250 nan 0.000 0.448 1005 A N 1.536 124.356 122.820 0.001 0.000 2.383 1005 A HA 0.133 4.453 4.320 0.000 0.000 0.225 1005 A C 0.702 178.287 177.584 0.001 0.000 1.946 1005 A CA 0.735 52.772 52.037 0.000 0.000 0.739 1005 A CB 0.219 19.219 19.000 0.000 0.000 1.405 1005 A HN 0.359 nan 8.150 nan 0.000 0.548 1006 K N -1.409 118.993 120.400 0.003 0.000 2.250 1006 K HA 0.763 5.083 4.320 0.000 0.000 0.261 1006 K C -1.267 175.337 176.600 0.006 0.000 1.047 1006 K CA -0.684 55.606 56.287 0.004 0.000 0.884 1006 K CB 1.083 33.585 32.500 0.004 0.000 1.476 1006 K HN 0.778 nan 8.250 nan 0.000 0.445 1007 L N -2.478 118.750 121.223 0.008 0.000 2.671 1007 L HA 0.651 4.991 4.340 0.000 0.000 0.259 1007 L C -1.161 175.716 176.870 0.011 0.000 1.021 1007 L CA -0.794 54.052 54.840 0.010 0.000 0.871 1007 L CB 2.225 44.291 42.059 0.012 0.000 1.472 1007 L HN 0.869 nan 8.230 nan 0.000 0.410 1008 T N -0.088 114.472 114.554 0.011 0.000 2.856 1008 T HA 0.753 5.103 4.350 0.000 0.000 0.283 1008 T C -0.972 173.736 174.700 0.013 0.000 1.008 1008 T CA -0.602 61.505 62.100 0.011 0.000 0.997 1008 T CB 1.853 70.726 68.868 0.008 0.000 0.992 1008 T HN 0.731 nan 8.240 nan 0.000 0.454 1009 L N 3.218 124.449 121.223 0.014 0.000 2.325 1009 L HA 0.603 4.943 4.340 0.000 0.000 0.281 1009 L C -1.214 175.662 176.870 0.010 0.000 1.004 1009 L CA -0.514 54.335 54.840 0.015 0.000 0.823 1009 L CB 1.264 43.336 42.059 0.021 0.000 1.236 1009 L HN 0.745 nan 8.230 nan 0.000 0.415 1010 N N 3.273 121.979 118.700 0.009 0.000 2.319 1010 N HA 0.696 5.437 4.740 0.000 0.000 0.305 1010 N C 0.068 175.579 175.510 0.002 0.000 1.103 1010 N CA -0.054 52.998 53.050 0.004 0.000 0.815 1010 N CB 2.198 40.687 38.487 0.003 0.000 1.288 1010 N HN 0.737 nan 8.380 nan 0.000 0.493 1011 G N -0.410 108.389 108.800 -0.002 0.000 2.613 1011 G HA2 0.056 4.016 3.960 0.000 0.000 0.208 1011 G HA3 0.056 4.016 3.960 0.000 0.000 0.208 1011 G C 0.099 174.995 174.900 -0.007 0.000 1.318 1011 G CA 0.153 45.249 45.100 -0.006 0.000 0.559 1011 G HN 0.460 nan 8.290 nan 0.000 1.015 1012 D N -0.576 119.820 120.400 -0.007 0.000 2.464 1012 D HA 0.175 4.815 4.640 0.000 0.000 0.272 1012 D C 0.428 176.725 176.300 -0.005 0.000 1.224 1012 D CA 0.821 54.817 54.000 -0.007 0.000 1.118 1012 D CB 0.757 41.552 40.800 -0.009 0.000 1.710 1012 D HN 0.199 nan 8.370 nan 0.000 0.479 1013 T N 0.787 115.338 114.554 -0.005 0.000 2.949 1013 T HA 0.746 5.096 4.350 0.000 0.000 0.287 1013 T C -0.096 174.604 174.700 -0.001 0.000 1.034 1013 T CA -0.644 61.454 62.100 -0.003 0.000 1.018 1013 T CB 2.202 71.067 68.868 -0.004 0.000 1.135 1013 T HN 0.131 nan 8.240 nan 0.000 0.532 1014 A N 0.864 123.684 122.820 0.000 0.000 2.286 1014 A HA 0.718 5.038 4.320 0.000 0.000 0.286 1014 A C -0.680 176.906 177.584 0.004 0.000 1.097 1014 A CA -0.541 51.498 52.037 0.003 0.000 0.821 1014 A CB 0.386 19.388 19.000 0.003 0.000 1.076 1014 A HN 0.634 nan 8.150 nan 0.000 0.490 1015 V N 1.751 121.668 119.914 0.006 0.000 2.482 1015 V HA 0.291 4.411 4.120 0.000 0.000 0.295 1015 V C -0.468 175.633 176.094 0.010 0.000 1.026 1015 V CA -0.546 61.759 62.300 0.009 0.000 0.856 1015 V CB 1.415 33.245 31.823 0.012 0.000 1.001 1015 V HN 0.967 nan 8.190 nan 0.000 0.424 1016 E N 5.130 125.335 120.200 0.009 0.000 2.130 1016 E HA 0.579 4.929 4.350 0.000 0.000 0.284 1016 E C -1.183 175.424 176.600 0.010 0.000 1.018 1016 E CA -0.372 56.034 56.400 0.009 0.000 0.817 1016 E CB 1.598 31.302 29.700 0.006 0.000 1.078 1016 E HN 0.516 nan 8.360 nan 0.000 0.396 1017 L N 3.258 124.488 121.223 0.012 0.000 2.341 1017 L HA 0.370 4.710 4.340 0.000 0.000 0.278 1017 L C -0.050 176.826 176.870 0.009 0.000 1.005 1017 L CA -1.133 53.715 54.840 0.013 0.000 0.818 1017 L CB 1.385 43.454 42.059 0.017 0.000 1.259 1017 L HN 0.352 nan 8.230 nan 0.000 0.418 1018 D N 1.864 122.268 120.400 0.007 0.000 2.339 1018 D HA 0.300 4.940 4.640 0.000 0.000 0.245 1018 D C -0.153 176.150 176.300 0.004 0.000 1.115 1018 D CA -0.090 53.913 54.000 0.004 0.000 0.917 1018 D CB 2.275 43.076 40.800 0.002 0.000 1.192 1018 D HN 0.261 nan 8.370 nan 0.000 0.428 1019 V N -0.614 119.302 119.914 0.003 0.000 2.459 1019 V HA 0.459 4.579 4.120 0.000 0.000 0.295 1019 V C -0.550 175.543 176.094 -0.001 0.000 1.029 1019 V CA -0.955 61.346 62.300 0.003 0.000 0.874 1019 V CB 1.401 33.227 31.823 0.004 0.000 0.985 1019 V HN 0.208 nan 8.190 nan 0.000 0.438 1020 L N 4.026 125.248 121.223 -0.002 0.000 2.379 1020 L HA 0.622 4.963 4.340 0.000 0.000 0.269 1020 L C 0.341 177.207 176.870 -0.007 0.000 1.084 1020 L CA -0.246 54.590 54.840 -0.006 0.000 0.802 1020 L CB 1.031 43.086 42.059 -0.007 0.000 1.175 1020 L HN 0.773 nan 8.230 nan 0.000 0.448 1021 K N 1.008 121.401 120.400 -0.012 0.000 2.323 1021 K HA 0.561 4.881 4.320 0.000 0.000 0.259 1021 K C -0.002 176.584 176.600 -0.024 0.000 0.947 1021 K CA -0.510 55.767 56.287 -0.016 0.000 0.819 1021 K CB 2.214 34.702 32.500 -0.019 0.000 1.109 1021 K HN 0.820 nan 8.250 nan 0.000 0.429 1022 G N 0.429 109.215 108.800 -0.025 0.000 2.425 1022 G HA2 0.124 4.084 3.960 0.000 0.000 0.302 1022 G HA3 0.124 4.084 3.960 0.000 0.000 0.302 1022 G C 1.063 175.919 174.900 -0.072 0.000 1.159 1022 G CA -0.482 44.595 45.100 -0.038 0.000 0.865 1022 G HN 0.623 nan 8.290 nan 0.000 0.515 1023 T N -0.622 113.872 114.554 -0.099 0.000 2.915 1023 T HA 0.103 4.453 4.350 0.000 0.000 0.269 1023 T C 0.879 175.450 174.700 -0.214 0.000 1.071 1023 T CA 0.702 62.722 62.100 -0.134 0.000 1.132 1023 T CB -0.174 68.616 68.868 -0.131 0.000 0.878 1023 T HN 0.208 nan 8.240 nan 0.000 0.479 1024 L N -0.465 120.574 121.223 -0.306 0.000 2.359 1024 L HA 0.637 4.977 4.340 0.000 0.000 0.256 1024 L C 0.961 177.638 176.870 -0.322 0.000 1.026 1024 L CA -0.580 53.925 54.840 -0.557 0.000 0.828 1024 L CB 1.804 43.083 42.059 -1.300 0.000 1.406 1024 L HN 0.457 nan 8.230 nan 0.000 0.413 1025 G N 1.093 109.808 108.800 -0.140 0.000 2.598 1025 G HA2 -0.179 3.781 3.960 0.000 0.000 0.244 1025 G HA3 -0.179 3.781 3.960 0.000 0.000 0.244 1025 G C -0.625 174.331 174.900 0.094 0.000 1.302 1025 G CA -0.482 44.758 45.100 0.232 0.000 0.903 1025 G HN 0.498 nan 8.290 nan 0.000 0.575 1026 Q N 0.800 120.661 119.800 0.102 0.000 2.260 1026 Q HA 0.408 4.749 4.340 0.000 0.000 0.238 1026 Q C -0.188 175.832 176.000 0.035 0.000 0.948 1026 Q CA -0.386 55.449 55.803 0.053 0.000 0.895 1026 Q CB 1.040 29.806 28.738 0.047 0.000 1.218 1026 Q HN 0.596 nan 8.270 nan 0.000 0.470 1027 D N 0.386 120.798 120.400 0.020 0.000 2.340 1027 D HA 0.425 5.065 4.640 0.000 0.000 0.251 1027 D C -0.125 176.183 176.300 0.014 0.000 1.080 1027 D CA -0.355 53.652 54.000 0.011 0.000 0.971 1027 D CB 1.332 42.134 40.800 0.004 0.000 1.137 1027 D HN 0.287 nan 8.370 nan 0.000 0.475 1028 V N -2.289 117.631 119.914 0.010 0.000 3.113 1028 V HA 0.616 4.736 4.120 0.000 0.000 0.316 1028 V C -0.131 175.968 176.094 0.009 0.000 1.125 1028 V CA -1.013 61.293 62.300 0.011 0.000 1.026 1028 V CB 1.600 33.428 31.823 0.008 0.000 1.080 1028 V HN 0.374 nan 8.190 nan 0.000 0.444 1029 I N 1.798 122.375 120.570 0.012 0.000 2.336 1029 I HA 0.354 4.524 4.170 0.000 0.000 0.292 1029 I C -0.457 175.668 176.117 0.012 0.000 0.991 1029 I CA -0.145 61.163 61.300 0.014 0.000 1.227 1029 I CB 1.302 39.313 38.000 0.020 0.000 1.366 1029 I HN 0.698 nan 8.210 nan 0.000 0.466 1030 D N 7.404 127.809 120.400 0.010 0.000 2.339 1030 D HA 0.198 4.838 4.640 0.000 0.000 0.256 1030 D C 0.455 176.764 176.300 0.015 0.000 1.214 1030 D CA 0.016 54.020 54.000 0.008 0.000 0.877 1030 D CB 0.790 41.593 40.800 0.004 0.000 1.111 1030 D HN 0.515 nan 8.370 nan 0.000 0.478 1031 I N 0.602 121.182 120.570 0.018 0.000 3.833 1031 I HA 0.304 4.474 4.170 0.000 0.000 0.328 1031 I C 1.298 177.433 176.117 0.029 0.000 1.554 1031 I CA -0.681 60.638 61.300 0.031 0.000 1.116 1031 I CB 0.410 38.438 38.000 0.046 0.000 1.182 1031 I HN 0.058 nan 8.210 nan 0.000 0.459 1032 R N 1.503 122.012 120.500 0.014 0.000 2.105 1032 R HA -0.087 4.253 4.340 0.000 0.000 0.239 1032 R C 1.844 178.156 176.300 0.020 0.000 1.135 1032 R CA 2.180 58.284 56.100 0.007 0.000 0.967 1032 R CB -0.349 29.948 30.300 -0.005 0.000 0.861 1032 R HN 0.633 nan 8.270 nan 0.000 0.442 1033 T N -1.786 112.784 114.554 0.027 0.000 3.144 1033 T HA 0.196 4.546 4.350 0.000 0.000 0.249 1033 T C 1.691 176.424 174.700 0.055 0.000 1.089 1033 T CA -0.062 62.059 62.100 0.035 0.000 0.989 1033 T CB 0.087 68.969 68.868 0.024 0.000 0.992 1033 T HN 0.052 nan 8.240 nan 0.000 0.540 1034 L N 1.067 122.333 121.223 0.072 0.000 1.988 1034 L HA 0.120 4.460 4.340 0.000 0.000 0.207 1034 L C 3.046 180.015 176.870 0.166 0.000 1.071 1034 L CA 1.606 56.507 54.840 0.102 0.000 0.744 1034 L CB -1.102 41.027 42.059 0.116 0.000 0.893 1034 L HN 0.480 nan 8.230 nan 0.000 0.433 1035 G N -1.030 107.908 108.800 0.230 0.000 2.479 1035 G HA2 -0.216 3.745 3.960 0.000 0.000 0.220 1035 G HA3 -0.216 3.745 3.960 0.000 0.000 0.220 1035 G C 1.423 176.494 174.900 0.285 0.000 1.115 1035 G CA 0.833 46.175 45.100 0.403 0.000 0.757 1035 G HN 0.383 nan 8.290 nan 0.000 0.560 1036 S N -0.371 115.416 115.700 0.146 0.000 2.720 1036 S HA 0.159 4.629 4.470 0.000 0.000 0.222 1036 S C 1.627 176.271 174.600 0.073 0.000 0.958 1036 S CA 0.449 58.705 58.200 0.094 0.000 0.943 1036 S CB 0.135 63.369 63.200 0.056 0.000 0.779 1036 S HN 0.515 nan 8.310 nan 0.000 0.526 1037 K N -0.844 119.603 120.400 0.079 0.000 2.493 1037 K HA 0.314 4.634 4.320 0.000 0.000 0.201 1037 K C 1.362 177.946 176.600 -0.026 0.000 1.355 1037 K CA 0.632 56.934 56.287 0.025 0.000 0.953 1037 K CB 0.903 33.413 32.500 0.017 0.000 1.316 1037 K HN 0.279 nan 8.250 nan 0.000 0.522 1038 G N 1.236 109.994 108.800 -0.069 0.000 2.901 1038 G HA2 -0.172 3.788 3.960 0.000 0.000 0.194 1038 G HA3 -0.172 3.788 3.960 0.000 0.000 0.194 1038 G C -0.392 174.153 174.900 -0.591 0.000 1.020 1038 G CA -0.095 44.810 45.100 -0.326 0.000 0.787 1038 G HN 0.089 nan 8.290 nan 0.000 0.477 1039 V N 2.991 122.770 119.914 -0.225 0.000 2.439 1039 V HA 0.662 4.782 4.120 0.000 0.000 0.271 1039 V C -0.322 175.860 176.094 0.147 0.000 1.040 1039 V CA -0.268 61.964 62.300 -0.114 0.000 1.002 1039 V CB -0.294 31.524 31.823 -0.009 0.000 1.000 1039 V HN 0.193 nan 8.190 nan 0.000 0.477 1040 F N 4.567 124.548 119.950 0.051 0.000 2.538 1040 F HA 0.594 5.121 4.527 0.000 0.000 0.325 1040 F C 0.760 176.615 175.800 0.092 0.000 1.066 1040 F CA -0.988 57.055 58.000 0.071 0.000 0.946 1040 F CB 2.463 41.514 39.000 0.085 0.000 1.199 1040 F HN 0.559 nan 8.300 nan 0.000 0.473 1041 T N -1.107 113.630 114.554 0.304 0.000 2.912 1041 T HA 0.510 4.860 4.350 0.000 0.000 0.280 1041 T C -1.146 173.728 174.700 0.290 0.000 0.989 1041 T CA -0.591 61.649 62.100 0.233 0.000 0.995 1041 T CB 2.067 71.030 68.868 0.158 0.000 1.077 1041 T HN 0.452 nan 8.240 nan 0.000 0.531 1042 F N 1.258 121.260 119.950 0.087 0.000 2.496 1042 F HA 0.522 5.050 4.527 0.000 0.000 0.341 1042 F C -1.054 174.767 175.800 0.034 0.000 1.134 1042 F CA -0.649 57.387 58.000 0.060 0.000 0.968 1042 F CB 1.402 40.431 39.000 0.048 0.000 1.205 1042 F HN 0.696 nan 8.300 nan 0.000 0.436 1043 D N 7.671 127.813 120.400 -0.431 0.000 2.668 1043 D HA 0.318 4.958 4.640 0.000 0.000 0.247 1043 D C -2.857 173.125 176.300 -0.529 0.000 1.268 1043 D CA -1.479 52.315 54.000 -0.344 0.000 0.842 1043 D CB 1.248 42.011 40.800 -0.062 0.000 1.399 1043 D HN 0.119 nan 8.370 nan 0.000 0.530 1044 P HA 0.356 nan 4.420 nan 0.000 0.267 1044 P C 1.002 177.998 177.300 -0.507 0.000 1.205 1044 P CA 0.429 63.152 63.100 -0.628 0.000 0.765 1044 P CB 1.188 32.601 31.700 -0.479 0.000 0.828 1045 G N 2.462 110.872 108.800 -0.650 0.000 2.225 1045 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 1045 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 1045 G C 0.619 175.365 174.900 -0.256 0.000 0.988 1045 G CA 0.005 44.868 45.100 -0.394 0.000 0.625 1045 G HN 0.520 nan 8.290 nan 0.000 0.527 1046 F N -0.330 119.563 119.950 -0.096 0.000 3.084 1046 F HA -0.286 4.241 4.527 0.000 0.000 0.286 1046 F C 1.960 177.725 175.800 -0.057 0.000 0.855 1046 F CA 1.478 59.431 58.000 -0.077 0.000 1.091 1046 F CB -2.345 36.615 39.000 -0.066 0.000 1.177 1046 F HN 0.559 nan 8.300 nan 0.000 0.542 1047 T N -4.950 109.638 114.554 0.057 0.000 3.163 1047 T HA 0.076 4.426 4.350 0.000 0.000 0.260 1047 T C 1.057 175.777 174.700 0.033 0.000 1.156 1047 T CA 0.999 63.120 62.100 0.034 0.000 1.072 1047 T CB 0.167 69.034 68.868 -0.002 0.000 0.937 1047 T HN 0.340 nan 8.240 nan 0.000 0.528 1048 S N 0.265 115.994 115.700 0.049 0.000 3.009 1048 S HA 0.244 4.714 4.470 0.000 0.000 0.254 1048 S C -0.153 174.479 174.600 0.053 0.000 1.004 1048 S CA -0.564 57.661 58.200 0.041 0.000 1.119 1048 S CB 0.895 64.116 63.200 0.035 0.000 1.075 1048 S HN 0.474 nan 8.310 nan 0.000 0.618 1049 T N 2.550 117.148 114.554 0.073 0.000 2.890 1049 T HA 0.607 4.957 4.350 0.000 0.000 0.295 1049 T C -0.211 174.493 174.700 0.008 0.000 0.993 1049 T CA -0.445 61.688 62.100 0.056 0.000 0.979 1049 T CB 1.572 70.506 68.868 0.109 0.000 0.967 1049 T HN 0.253 nan 8.240 nan 0.000 0.441 1050 A N 2.292 125.105 122.820 -0.012 0.000 2.454 1050 A HA 0.473 4.793 4.320 0.000 0.000 0.260 1050 A C 1.377 178.913 177.584 -0.081 0.000 1.106 1050 A CA -0.387 51.632 52.037 -0.031 0.000 0.780 1050 A CB 0.075 19.066 19.000 -0.015 0.000 1.044 1050 A HN 0.931 nan 8.150 nan 0.000 0.498 1051 S N 0.592 116.223 115.700 -0.116 0.000 2.528 1051 S HA 0.239 4.709 4.470 0.000 0.000 0.219 1051 S C 0.617 175.141 174.600 -0.127 0.000 0.985 1051 S CA 0.370 58.458 58.200 -0.187 0.000 0.914 1051 S CB -1.404 61.644 63.200 -0.255 0.000 0.776 1051 S HN 1.927 nan 8.310 nan 0.000 0.526 1052 C N -0.768 118.488 119.300 -0.073 0.000 3.176 1052 C HA 0.660 5.120 4.460 0.000 0.000 0.343 1052 C C -1.366 173.610 174.990 -0.023 0.000 1.332 1052 C CA -1.138 57.850 59.018 -0.051 0.000 1.200 1052 C CB 0.807 28.524 27.740 -0.039 0.000 1.440 1052 C HN 0.467 nan 8.230 nan 0.000 0.458 1053 E N 1.314 121.502 120.200 -0.020 0.000 2.156 1053 E HA 0.639 4.989 4.350 0.000 0.000 0.279 1053 E C -0.629 175.971 176.600 0.000 0.000 0.965 1053 E CA 0.171 56.566 56.400 -0.009 0.000 0.789 1053 E CB 1.414 31.104 29.700 -0.018 0.000 1.098 1053 E HN 0.856 nan 8.360 nan 0.000 0.397 1054 S N 3.233 118.944 115.700 0.018 0.000 2.595 1054 S HA 0.431 4.901 4.470 0.000 0.000 0.281 1054 S C -0.353 174.256 174.600 0.015 0.000 1.117 1054 S CA -0.658 57.555 58.200 0.022 0.000 0.873 1054 S CB 1.264 64.507 63.200 0.070 0.000 1.108 1054 S HN 0.598 nan 8.310 nan 0.000 0.477 1055 K N 2.380 122.774 120.400 -0.009 0.000 2.483 1055 K HA 0.357 4.677 4.320 0.000 0.000 0.206 1055 K C 0.908 177.497 176.600 -0.019 0.000 1.086 1055 K CA 0.036 56.312 56.287 -0.018 0.000 1.052 1055 K CB 0.302 32.779 32.500 -0.039 0.000 0.904 1055 K HN 0.499 nan 8.250 nan 0.000 0.557 1056 I N 0.740 121.295 120.570 -0.026 0.000 2.201 1056 I HA -0.086 4.085 4.170 0.000 0.000 0.233 1056 I C 0.584 176.756 176.117 0.092 0.000 1.067 1056 I CA 1.068 62.348 61.300 -0.034 0.000 1.354 1056 I CB 0.139 38.005 38.000 -0.223 0.000 1.108 1056 I HN -0.088 nan 8.210 nan 0.000 0.411 1057 T N 1.177 115.827 114.554 0.160 0.000 2.824 1057 T HA 0.405 4.755 4.350 0.000 0.000 0.282 1057 T C -1.138 173.671 174.700 0.182 0.000 0.993 1057 T CA -0.269 61.965 62.100 0.223 0.000 0.967 1057 T CB 1.811 70.868 68.868 0.314 0.000 0.960 1057 T HN 0.016 nan 8.240 nan 0.000 0.441 1058 F N 4.176 124.133 119.950 0.011 0.000 2.467 1058 F HA 0.753 5.280 4.527 0.000 0.000 0.336 1058 F C -1.178 174.607 175.800 -0.025 0.000 1.123 1058 F CA -0.999 56.992 58.000 -0.015 0.000 0.964 1058 F CB 0.682 39.664 39.000 -0.029 0.000 1.136 1058 F HN 0.432 nan 8.300 nan 0.000 0.447 1059 I N 5.418 125.373 120.570 -1.024 0.000 2.498 1059 I HA 0.249 4.419 4.170 0.000 0.000 0.290 1059 I C -1.384 174.125 176.117 -1.012 0.000 1.032 1059 I CA -0.687 60.151 61.300 -0.770 0.000 1.073 1059 I CB 1.958 39.673 38.000 -0.475 0.000 1.251 1059 I HN 0.472 nan 8.210 nan 0.000 0.426 1060 D N 4.782 124.821 120.400 -0.602 0.000 2.432 1060 D HA 0.274 4.914 4.640 0.000 0.000 0.265 1060 D C 1.042 177.263 176.300 -0.132 0.000 1.160 1060 D CA -0.341 53.473 54.000 -0.310 0.000 0.911 1060 D CB 1.512 42.291 40.800 -0.036 0.000 1.052 1060 D HN 0.705 nan 8.370 nan 0.000 0.508 1061 G N 2.542 111.235 108.800 -0.178 0.000 2.529 1061 G HA2 -0.316 3.644 3.960 0.000 0.000 0.219 1061 G HA3 -0.316 3.644 3.960 0.000 0.000 0.219 1061 G C 1.137 176.032 174.900 -0.007 0.000 1.177 1061 G CA 0.686 45.718 45.100 -0.114 0.000 0.773 1061 G HN 0.414 nan 8.290 nan 0.000 0.573 1062 D N 0.368 120.752 120.400 -0.027 0.000 2.263 1062 D HA -0.025 4.615 4.640 0.000 0.000 0.208 1062 D C 2.178 178.481 176.300 0.004 0.000 0.971 1062 D CA 0.690 54.689 54.000 -0.002 0.000 0.867 1062 D CB 0.024 40.829 40.800 0.008 0.000 0.929 1062 D HN 0.278 nan 8.370 nan 0.000 0.492 1063 E N -0.540 119.661 120.200 0.003 0.000 2.474 1063 E HA 0.161 4.511 4.350 0.000 0.000 0.195 1063 E C 0.997 177.580 176.600 -0.029 0.000 1.039 1063 E CA 0.198 56.617 56.400 0.031 0.000 0.881 1063 E CB 0.474 30.210 29.700 0.061 0.000 0.970 1063 E HN 0.205 nan 8.360 nan 0.000 0.486 1064 G N 2.216 110.910 108.800 -0.178 0.000 2.295 1064 G HA2 -0.235 3.725 3.960 0.000 0.000 0.287 1064 G HA3 -0.235 3.725 3.960 0.000 0.000 0.287 1064 G C 0.105 174.861 174.900 -0.239 0.000 1.055 1064 G CA 0.101 44.879 45.100 -0.537 0.000 0.922 1064 G HN 0.121 nan 8.290 nan 0.000 0.503 1065 I N -0.122 120.422 120.570 -0.043 0.000 2.412 1065 I HA 0.687 4.857 4.170 0.000 0.000 0.296 1065 I C -0.044 176.069 176.117 -0.007 0.000 0.987 1065 I CA -1.392 59.908 61.300 -0.001 0.000 1.180 1065 I CB 1.571 39.615 38.000 0.073 0.000 1.340 1065 I HN 0.167 nan 8.210 nan 0.000 0.455 1066 L N 8.044 129.255 121.223 -0.020 0.000 2.482 1066 L HA 0.572 4.912 4.340 0.000 0.000 0.269 1066 L C -1.565 175.231 176.870 -0.124 0.000 0.967 1066 L CA -0.144 54.659 54.840 -0.061 0.000 0.851 1066 L CB 1.460 43.505 42.059 -0.025 0.000 1.242 1066 L HN 0.389 nan 8.230 nan 0.000 0.404 1067 L N 4.430 125.586 121.223 -0.112 0.000 2.354 1067 L HA 0.610 4.950 4.340 0.000 0.000 0.269 1067 L C -0.973 175.792 176.870 -0.176 0.000 1.005 1067 L CA -0.906 53.877 54.840 -0.094 0.000 0.819 1067 L CB 2.038 44.144 42.059 0.077 0.000 1.311 1067 L HN 0.510 nan 8.230 nan 0.000 0.423 1068 H N 4.459 123.589 119.070 0.100 0.000 2.762 1068 H HA 0.370 4.926 4.556 0.000 0.000 0.310 1068 H C -0.389 174.941 175.328 0.004 0.000 1.004 1068 H CA -0.656 55.438 56.048 0.077 0.000 1.267 1068 H CB 1.305 31.134 29.762 0.111 0.000 1.437 1068 H HN 0.459 nan 8.280 nan 0.000 0.498 1069 R N 1.801 122.319 120.500 0.030 0.000 3.531 1069 R HA -0.194 4.146 4.340 0.000 0.000 0.280 1069 R C 1.119 177.139 176.300 -0.467 0.000 1.130 1069 R CA 0.848 56.848 56.100 -0.166 0.000 0.757 1069 R CB -2.388 27.840 30.300 -0.122 0.000 1.218 1069 R HN 1.148 nan 8.270 nan 0.000 0.454 1070 G N -1.210 107.420 108.800 -0.284 0.000 2.253 1070 G HA2 -0.364 3.596 3.960 0.000 0.000 0.251 1070 G HA3 -0.364 3.596 3.960 0.000 0.000 0.251 1070 G C 0.241 174.999 174.900 -0.236 0.000 0.998 1070 G CA 0.352 45.264 45.100 -0.314 0.000 0.621 1070 G HN 0.355 nan 8.290 nan 0.000 0.524 1071 F N 2.324 122.293 119.950 0.032 0.000 2.438 1071 F HA 0.470 4.997 4.527 0.000 0.000 0.356 1071 F C -1.728 174.070 175.800 -0.003 0.000 1.099 1071 F CA -2.301 55.711 58.000 0.021 0.000 1.185 1071 F CB 1.159 40.180 39.000 0.035 0.000 1.115 1071 F HN -0.137 nan 8.300 nan 0.000 0.526 1072 P HA -0.037 nan 4.420 nan 0.000 0.267 1072 P C 0.783 178.114 177.300 0.052 0.000 1.205 1072 P CA 0.035 63.179 63.100 0.073 0.000 0.765 1072 P CB 0.716 32.456 31.700 0.066 0.000 0.828 1073 I N 3.387 123.943 120.570 -0.022 0.000 2.248 1073 I HA -0.278 3.892 4.170 0.000 0.000 0.248 1073 I C 1.319 177.448 176.117 0.019 0.000 1.107 1073 I CA 1.927 63.225 61.300 -0.003 0.000 1.373 1073 I CB -0.482 37.484 38.000 -0.057 0.000 1.055 1073 I HN 0.312 nan 8.210 nan 0.000 0.418 1074 D N -0.204 120.197 120.400 0.001 0.000 2.219 1074 D HA -0.170 4.470 4.640 0.000 0.000 0.205 1074 D C 2.134 178.433 176.300 -0.002 0.000 0.970 1074 D CA 0.949 54.946 54.000 -0.006 0.000 0.851 1074 D CB -0.063 40.729 40.800 -0.014 0.000 0.943 1074 D HN 0.574 nan 8.370 nan 0.000 0.488 1075 Q N -0.120 119.685 119.800 0.009 0.000 2.096 1075 Q HA 0.035 4.375 4.340 0.000 0.000 0.197 1075 Q C 2.510 178.497 176.000 -0.022 0.000 0.964 1075 Q CA 0.436 56.234 55.803 -0.008 0.000 0.838 1075 Q CB 0.139 28.878 28.738 0.001 0.000 0.906 1075 Q HN 0.274 nan 8.270 nan 0.000 0.444 1076 L N 0.192 121.418 121.223 0.006 0.000 2.046 1076 L HA -0.182 4.158 4.340 0.000 0.000 0.208 1076 L C 2.512 179.388 176.870 0.010 0.000 1.077 1076 L CA 1.049 55.892 54.840 0.004 0.000 0.747 1076 L CB -0.621 41.492 42.059 0.090 0.000 0.896 1076 L HN 0.216 nan 8.230 nan 0.000 0.432 1077 A N -0.604 122.230 122.820 0.025 0.000 1.933 1077 A HA -0.187 4.133 4.320 0.000 0.000 0.218 1077 A C 2.355 179.942 177.584 0.005 0.000 1.175 1077 A CA 2.376 54.425 52.037 0.021 0.000 0.628 1077 A CB -0.758 18.250 19.000 0.013 0.000 0.814 1077 A HN 0.387 nan 8.150 nan 0.000 0.444 1078 T N -0.332 114.216 114.554 -0.009 0.000 2.852 1078 T HA -0.041 4.309 4.350 0.000 0.000 0.256 1078 T C 1.134 175.818 174.700 -0.027 0.000 1.038 1078 T CA 1.301 63.391 62.100 -0.016 0.000 1.141 1078 T CB -0.203 68.652 68.868 -0.021 0.000 0.869 1078 T HN 0.459 nan 8.240 nan 0.000 0.439 1079 D N 0.739 121.113 120.400 -0.044 0.000 2.349 1079 D HA 0.227 4.867 4.640 0.000 0.000 0.214 1079 D C 0.769 177.018 176.300 -0.085 0.000 1.063 1079 D CA 0.177 54.138 54.000 -0.066 0.000 0.847 1079 D CB 0.503 41.252 40.800 -0.085 0.000 0.933 1079 D HN 0.220 nan 8.370 nan 0.000 0.513 1080 S N -0.092 115.567 115.700 -0.069 0.000 2.798 1080 S HA 0.517 4.987 4.470 0.000 0.000 0.312 1080 S C -0.842 173.741 174.600 -0.028 0.000 1.122 1080 S CA -0.779 57.373 58.200 -0.079 0.000 0.949 1080 S CB 1.571 64.718 63.200 -0.089 0.000 1.235 1080 S HN 0.294 nan 8.310 nan 0.000 0.552 1081 N N -0.611 118.080 118.700 -0.015 0.000 2.321 1081 N HA 0.331 5.071 4.740 0.000 0.000 0.290 1081 N C 0.157 175.716 175.510 0.082 0.000 1.212 1081 N CA -0.754 52.331 53.050 0.058 0.000 0.767 1081 N CB 0.657 39.193 38.487 0.081 0.000 1.494 1081 N HN 0.524 nan 8.380 nan 0.000 0.479 1082 Y N 1.135 121.419 120.300 -0.027 0.000 2.030 1082 Y HA -0.251 4.299 4.550 0.000 0.000 0.272 1082 Y C 1.822 177.678 175.900 -0.072 0.000 1.185 1082 Y CA 1.819 59.848 58.100 -0.118 0.000 1.120 1082 Y CB -0.326 37.949 38.460 -0.309 0.000 0.955 1082 Y HN 0.610 nan 8.280 nan 0.000 0.495 1083 L N -0.125 121.080 121.223 -0.031 0.000 2.042 1083 L HA -0.255 4.085 4.340 0.000 0.000 0.210 1083 L C 2.574 179.514 176.870 0.115 0.000 1.076 1083 L CA 2.053 56.950 54.840 0.094 0.000 0.749 1083 L CB -0.642 41.647 42.059 0.384 0.000 0.893 1083 L HN 0.361 nan 8.230 nan 0.000 0.432 1084 E N -0.129 120.151 120.200 0.133 0.000 2.153 1084 E HA -0.182 4.168 4.350 0.000 0.000 0.194 1084 E C 2.171 178.738 176.600 -0.055 0.000 0.988 1084 E CA 1.081 57.495 56.400 0.023 0.000 0.811 1084 E CB 0.217 29.834 29.700 -0.139 0.000 0.746 1084 E HN 0.275 nan 8.360 nan 0.000 0.466 1085 V N 0.224 120.076 119.914 -0.104 0.000 2.548 1085 V HA -0.261 3.859 4.120 0.000 0.000 0.249 1085 V C 2.385 178.360 176.094 -0.198 0.000 1.055 1085 V CA 1.308 63.538 62.300 -0.116 0.000 1.065 1085 V CB -0.247 31.515 31.823 -0.102 0.000 0.681 1085 V HN 0.525 nan 8.190 nan 0.000 0.462 1086 C N -1.011 118.095 119.300 -0.324 0.000 2.446 1086 C HA -0.150 4.311 4.460 0.000 0.000 0.277 1086 C C 2.601 177.426 174.990 -0.275 0.000 1.275 1086 C CA 1.032 59.861 59.018 -0.316 0.000 1.727 1086 C CB -0.921 26.636 27.740 -0.304 0.000 2.010 1086 C HN 0.698 nan 8.230 nan 0.000 0.486 1087 Y N 1.696 121.660 120.300 -0.561 0.000 2.114 1087 Y HA -0.164 4.386 4.550 0.000 0.000 0.284 1087 Y C 2.160 177.852 175.900 -0.346 0.000 1.143 1087 Y CA 1.603 59.218 58.100 -0.808 0.000 1.135 1087 Y CB -0.490 37.479 38.460 -0.819 0.000 0.980 1087 Y HN 0.281 nan 8.280 nan 0.000 0.499 1088 I N -0.310 120.295 120.570 0.059 0.000 2.099 1088 I HA -0.375 3.795 4.170 0.000 0.000 0.239 1088 I C 2.459 178.567 176.117 -0.015 0.000 1.066 1088 I CA 1.633 62.999 61.300 0.110 0.000 1.324 1088 I CB -0.683 37.427 38.000 0.183 0.000 1.037 1088 I HN 0.245 nan 8.210 nan 0.000 0.401 1089 L N 0.186 121.368 121.223 -0.068 0.000 2.051 1089 L HA -0.276 4.064 4.340 0.000 0.000 0.214 1089 L C 2.525 179.322 176.870 -0.121 0.000 1.076 1089 L CA 1.621 56.401 54.840 -0.099 0.000 0.758 1089 L CB -0.485 41.482 42.059 -0.154 0.000 0.890 1089 L HN 0.307 nan 8.230 nan 0.000 0.433 1090 L N -1.012 120.109 121.223 -0.168 0.000 2.131 1090 L HA -0.112 4.228 4.340 0.000 0.000 0.206 1090 L C 2.036 178.795 176.870 -0.185 0.000 1.087 1090 L CA 0.936 55.677 54.840 -0.166 0.000 0.767 1090 L CB -0.400 41.548 42.059 -0.184 0.000 0.917 1090 L HN 0.359 nan 8.230 nan 0.000 0.441 1091 N N -0.553 117.984 118.700 -0.272 0.000 2.392 1091 N HA 0.026 4.766 4.740 0.000 0.000 0.177 1091 N C 1.485 176.944 175.510 -0.084 0.000 1.066 1091 N CA 1.044 53.955 53.050 -0.232 0.000 0.895 1091 N CB 1.097 39.294 38.487 -0.484 0.000 0.988 1091 N HN 0.409 nan 8.380 nan 0.000 0.457 1092 G N 0.762 109.533 108.800 -0.047 0.000 2.241 1092 G HA2 -0.205 3.755 3.960 0.000 0.000 0.244 1092 G HA3 -0.205 3.755 3.960 0.000 0.000 0.244 1092 G C -0.033 174.888 174.900 0.035 0.000 0.998 1092 G CA 0.171 45.261 45.100 -0.017 0.000 0.621 1092 G HN 0.322 nan 8.290 nan 0.000 0.519 1093 E N 0.137 120.407 120.200 0.116 0.000 2.416 1093 E HA 0.446 4.796 4.350 0.000 0.000 0.273 1093 E C -0.051 176.728 176.600 0.299 0.000 0.935 1093 E CA -0.697 55.825 56.400 0.203 0.000 0.784 1093 E CB 1.398 31.191 29.700 0.155 0.000 1.301 1093 E HN 0.599 nan 8.360 nan 0.000 0.454 1094 K N 0.818 121.384 120.400 0.276 0.000 2.258 1094 K HA 0.378 4.698 4.320 0.000 0.000 0.264 1094 K C -2.195 174.401 176.600 -0.006 0.000 1.007 1094 K CA -1.146 55.206 56.287 0.108 0.000 0.941 1094 K CB 0.106 32.577 32.500 -0.047 0.000 0.966 1094 K HN 0.109 nan 8.250 nan 0.000 0.480 1095 P HA 0.091 nan 4.420 nan 0.000 0.278 1095 P C -0.659 176.483 177.300 -0.264 0.000 1.258 1095 P CA -0.444 62.316 63.100 -0.567 0.000 0.811 1095 P CB 1.108 32.088 31.700 -1.201 0.000 1.063 1096 T N 0.811 115.262 114.554 -0.171 0.000 2.849 1096 T HA 0.081 4.431 4.350 0.000 0.000 0.276 1096 T C 1.321 175.986 174.700 -0.058 0.000 0.971 1096 T CA -0.070 61.983 62.100 -0.078 0.000 0.949 1096 T CB 0.580 69.436 68.868 -0.019 0.000 1.093 1096 T HN 0.349 nan 8.240 nan 0.000 0.545 1097 Q N 0.503 120.294 119.800 -0.015 0.000 2.119 1097 Q HA -0.128 4.212 4.340 0.000 0.000 0.201 1097 Q C 2.114 178.163 176.000 0.082 0.000 0.972 1097 Q CA 1.979 57.807 55.803 0.043 0.000 0.847 1097 Q CB -0.269 28.488 28.738 0.031 0.000 0.903 1097 Q HN 0.806 nan 8.270 nan 0.000 0.433 1098 E N -0.335 119.896 120.200 0.051 0.000 2.038 1098 E HA -0.270 4.080 4.350 0.000 0.000 0.195 1098 E C 2.024 178.672 176.600 0.081 0.000 1.000 1098 E CA 1.591 58.028 56.400 0.061 0.000 0.803 1098 E CB -0.503 29.227 29.700 0.050 0.000 0.750 1098 E HN 0.431 nan 8.360 nan 0.000 0.448 1099 Q N -0.264 119.577 119.800 0.067 0.000 2.050 1099 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 1099 Q C 2.105 178.169 176.000 0.106 0.000 0.980 1099 Q CA 1.722 57.589 55.803 0.108 0.000 0.840 1099 Q CB -0.402 28.364 28.738 0.047 0.000 0.898 1099 Q HN 0.454 nan 8.270 nan 0.000 0.424 1100 Y N 1.937 122.137 120.300 -0.165 0.000 2.145 1100 Y HA -0.266 4.284 4.550 0.000 0.000 0.286 1100 Y C 1.626 177.599 175.900 0.122 0.000 1.145 1100 Y CA 1.737 59.774 58.100 -0.106 0.000 1.148 1100 Y CB -0.001 38.355 38.460 -0.173 0.000 0.981 1100 Y HN 0.085 nan 8.280 nan 0.000 0.507 1101 D N 0.169 120.581 120.400 0.020 0.000 2.178 1101 D HA -0.201 4.439 4.640 0.000 0.000 0.201 1101 D C 2.000 178.290 176.300 -0.016 0.000 0.980 1101 D CA 1.576 55.550 54.000 -0.043 0.000 0.842 1101 D CB -0.309 40.525 40.800 0.058 0.000 0.948 1101 D HN 0.642 nan 8.370 nan 0.000 0.472 1102 E N -0.561 119.679 120.200 0.066 0.000 2.046 1102 E HA -0.164 4.186 4.350 0.000 0.000 0.190 1102 E C 2.008 178.679 176.600 0.119 0.000 0.982 1102 E CA 0.398 56.849 56.400 0.085 0.000 0.800 1102 E CB -0.196 29.579 29.700 0.125 0.000 0.756 1102 E HN 0.222 nan 8.360 nan 0.000 0.449 1103 F N 2.056 122.058 119.950 0.086 0.000 2.069 1103 F HA -0.193 4.334 4.527 0.000 0.000 0.298 1103 F C 2.401 178.275 175.800 0.123 0.000 1.113 1103 F CA 2.197 60.330 58.000 0.223 0.000 1.214 1103 F CB -0.213 39.030 39.000 0.405 0.000 0.978 1103 F HN -0.104 nan 8.300 nan 0.000 0.474 1104 K N -0.514 119.929 120.400 0.071 0.000 2.032 1104 K HA -0.188 4.132 4.320 0.000 0.000 0.209 1104 K C 2.041 178.599 176.600 -0.070 0.000 1.048 1104 K CA 2.106 58.343 56.287 -0.083 0.000 0.927 1104 K CB -0.585 31.710 32.500 -0.342 0.000 0.712 1104 K HN 0.267 nan 8.250 nan 0.000 0.441 1105 T N 0.418 114.930 114.554 -0.070 0.000 2.720 1105 T HA -0.129 4.221 4.350 0.000 0.000 0.268 1105 T C 1.743 176.393 174.700 -0.084 0.000 1.037 1105 T CA 2.001 64.065 62.100 -0.061 0.000 1.144 1105 T CB -0.383 68.456 68.868 -0.048 0.000 0.864 1105 T HN 0.409 nan 8.240 nan 0.000 0.444 1106 T N 1.621 116.098 114.554 -0.129 0.000 2.746 1106 T HA -0.064 4.286 4.350 0.000 0.000 0.267 1106 T C 2.147 176.813 174.700 -0.058 0.000 1.039 1106 T CA 0.931 62.919 62.100 -0.187 0.000 1.142 1106 T CB -0.477 68.070 68.868 -0.535 0.000 0.866 1106 T HN 0.155 nan 8.240 nan 0.000 0.444 1107 V N 2.317 122.205 119.914 -0.044 0.000 2.287 1107 V HA -0.196 3.924 4.120 0.000 0.000 0.248 1107 V C 3.006 179.146 176.094 0.078 0.000 1.053 1107 V CA 2.240 64.593 62.300 0.088 0.000 1.027 1107 V CB -1.335 30.496 31.823 0.013 0.000 0.646 1107 V HN 0.735 nan 8.190 nan 0.000 0.447 1108 T N -2.073 112.495 114.554 0.024 0.000 2.995 1108 T HA -0.078 4.273 4.350 0.000 0.000 0.269 1108 T C 1.841 176.509 174.700 -0.053 0.000 1.091 1108 T CA 1.093 63.197 62.100 0.007 0.000 1.128 1108 T CB -0.329 68.542 68.868 0.006 0.000 0.891 1108 T HN 0.361 nan 8.240 nan 0.000 0.492 1109 L N 0.272 121.420 121.223 -0.126 0.000 2.291 1109 L HA 0.047 4.387 4.340 0.000 0.000 0.214 1109 L C 1.530 178.070 176.870 -0.549 0.000 1.120 1109 L CA 1.068 55.702 54.840 -0.343 0.000 0.799 1109 L CB -0.123 41.667 42.059 -0.449 0.000 0.925 1109 L HN 0.448 nan 8.230 nan 0.000 0.446 1110 H N -2.254 116.808 119.070 -0.013 0.000 2.510 1110 H HA 0.163 4.719 4.556 0.000 0.000 0.266 1110 H C 1.577 176.911 175.328 0.009 0.000 1.146 1110 H CA 0.725 56.774 56.048 0.001 0.000 0.993 1110 H CB 0.162 29.920 29.762 -0.008 0.000 1.727 1110 H HN 0.306 nan 8.280 nan 0.000 0.590 1111 T N -2.413 112.182 114.554 0.069 0.000 2.995 1111 T HA -0.017 4.333 4.350 0.000 0.000 0.269 1111 T C 1.060 175.788 174.700 0.047 0.000 1.091 1111 T CA 0.244 62.374 62.100 0.050 0.000 1.128 1111 T CB 0.447 69.329 68.868 0.025 0.000 0.891 1111 T HN 0.150 nan 8.240 nan 0.000 0.492 1112 M N 2.619 122.260 119.600 0.068 0.000 2.162 1112 M HA 0.429 4.909 4.480 0.000 0.000 0.356 1112 M C -0.258 176.105 176.300 0.104 0.000 1.303 1112 M CA -0.908 54.449 55.300 0.095 0.000 1.116 1112 M CB 0.574 33.244 32.600 0.117 0.000 1.632 1112 M HN 0.338 nan 8.290 nan 0.000 0.469 1113 I N 0.997 121.612 120.570 0.075 0.000 2.662 1113 I HA 0.270 4.440 4.170 0.000 0.000 0.291 1113 I C 0.509 176.691 176.117 0.107 0.000 1.046 1113 I CA -0.770 60.595 61.300 0.108 0.000 1.361 1113 I CB 0.516 38.532 38.000 0.026 0.000 1.429 1113 I HN 0.568 nan 8.210 nan 0.000 0.558 1114 H N 3.743 122.815 119.070 0.003 0.000 2.972 1114 H HA -0.071 4.485 4.556 0.000 0.000 0.343 1114 H C 0.904 176.177 175.328 -0.091 0.000 1.054 1114 H CA 1.122 57.119 56.048 -0.086 0.000 1.412 1114 H CB 0.976 30.577 29.762 -0.269 0.000 1.385 1114 H HN 0.963 nan 8.280 nan 0.000 0.600 1115 E N 2.985 123.013 120.200 -0.287 0.000 2.160 1115 E HA -0.283 4.067 4.350 0.000 0.000 0.195 1115 E C 1.647 178.272 176.600 0.041 0.000 0.991 1115 E CA 1.299 57.638 56.400 -0.101 0.000 0.810 1115 E CB 0.154 29.768 29.700 -0.142 0.000 0.742 1115 E HN 0.628 nan 8.360 nan 0.000 0.466 1116 Q N 0.559 120.502 119.800 0.238 0.000 2.230 1116 Q HA -0.042 4.298 4.340 0.000 0.000 0.202 1116 Q C 1.826 177.866 176.000 0.066 0.000 0.963 1116 Q CA 1.169 57.132 55.803 0.266 0.000 0.866 1116 Q CB -0.080 28.941 28.738 0.471 0.000 0.931 1116 Q HN 0.482 nan 8.270 nan 0.000 0.452 1117 I N -0.596 119.857 120.570 -0.195 0.000 2.439 1117 I HA -0.207 3.963 4.170 0.000 0.000 0.251 1117 I C 1.729 177.869 176.117 0.038 0.000 1.139 1117 I CA 1.211 62.314 61.300 -0.329 0.000 1.438 1117 I CB -0.303 37.408 38.000 -0.482 0.000 1.085 1117 I HN 0.134 nan 8.210 nan 0.000 0.427 1118 T N 0.786 115.393 114.554 0.089 0.000 2.833 1118 T HA -0.116 4.234 4.350 0.000 0.000 0.269 1118 T C 1.991 176.909 174.700 0.363 0.000 1.054 1118 T CA 0.991 63.198 62.100 0.179 0.000 1.135 1118 T CB -0.136 68.789 68.868 0.095 0.000 0.869 1118 T HN 0.243 nan 8.240 nan 0.000 0.466 1119 R N 0.902 121.559 120.500 0.263 0.000 2.092 1119 R HA 0.095 4.435 4.340 0.000 0.000 0.231 1119 R C 2.299 178.748 176.300 0.248 0.000 1.119 1119 R CA 0.637 56.895 56.100 0.263 0.000 0.970 1119 R CB -1.345 29.058 30.300 0.173 0.000 0.864 1119 R HN 0.332 nan 8.270 nan 0.000 0.440 1120 L N 0.412 121.746 121.223 0.185 0.000 2.083 1120 L HA -0.059 4.281 4.340 0.000 0.000 0.209 1120 L C 2.005 178.959 176.870 0.139 0.000 1.083 1120 L CA 1.460 56.369 54.840 0.115 0.000 0.752 1120 L CB -0.667 41.444 42.059 0.088 0.000 0.899 1120 L HN -0.067 nan 8.230 nan 0.000 0.433 1121 F N -0.386 119.581 119.950 0.028 0.000 2.126 1121 F HA -0.255 4.272 4.527 0.000 0.000 0.299 1121 F C 2.626 178.177 175.800 -0.416 0.000 1.096 1121 F CA 1.970 59.853 58.000 -0.194 0.000 1.255 1121 F CB -0.496 38.250 39.000 -0.424 0.000 0.997 1121 F HN 0.283 nan 8.300 nan 0.000 0.479 1122 H N -1.235 117.910 119.070 0.126 0.000 2.524 1122 H HA 0.080 4.636 4.556 0.000 0.000 0.282 1122 H C 2.187 177.628 175.328 0.189 0.000 1.016 1122 H CA 0.935 57.107 56.048 0.208 0.000 1.270 1122 H CB -0.233 29.698 29.762 0.280 0.000 1.394 1122 H HN 0.290 nan 8.280 nan 0.000 0.568 1123 A N 0.875 123.788 122.820 0.155 0.000 2.067 1123 A HA 0.016 4.336 4.320 0.000 0.000 0.217 1123 A C 0.755 178.309 177.584 -0.050 0.000 1.156 1123 A CA 0.019 52.064 52.037 0.014 0.000 0.683 1123 A CB -0.477 18.453 19.000 -0.117 0.000 0.808 1123 A HN 0.056 nan 8.150 nan 0.000 0.455 1124 F N 0.549 120.512 119.950 0.022 0.000 2.485 1124 F HA 0.280 4.807 4.527 0.000 0.000 0.327 1124 F C 1.294 177.211 175.800 0.196 0.000 1.203 1124 F CA -0.113 57.915 58.000 0.047 0.000 1.295 1124 F CB 0.566 39.536 39.000 -0.050 0.000 1.191 1124 F HN 0.077 nan 8.300 nan 0.000 0.588 1125 R N 1.190 121.922 120.500 0.387 0.000 2.615 1125 R HA 0.222 4.562 4.340 0.000 0.000 0.270 1125 R C 1.140 177.646 176.300 0.343 0.000 1.081 1125 R CA -0.755 55.519 56.100 0.290 0.000 1.154 1125 R CB 0.611 31.026 30.300 0.191 0.000 1.063 1125 R HN 0.536 nan 8.270 nan 0.000 0.519 1126 R N 1.349 121.953 120.500 0.173 0.000 2.148 1126 R HA -0.098 4.243 4.340 0.000 0.000 0.223 1126 R C 1.074 177.390 176.300 0.026 0.000 1.088 1126 R CA 1.243 57.347 56.100 0.006 0.000 0.985 1126 R CB -0.181 30.033 30.300 -0.144 0.000 0.880 1126 R HN 0.733 nan 8.270 nan 0.000 0.451 1127 D N -0.178 120.258 120.400 0.060 0.000 2.355 1127 D HA -0.019 4.621 4.640 0.000 0.000 0.218 1127 D C -0.031 176.320 176.300 0.084 0.000 1.004 1127 D CA 0.031 54.061 54.000 0.050 0.000 0.880 1127 D CB -0.030 40.799 40.800 0.049 0.000 0.911 1127 D HN -0.244 nan 8.370 nan 0.000 0.528 1128 S N 0.026 115.803 115.700 0.130 0.000 2.568 1128 S HA -0.011 4.459 4.470 0.000 0.000 0.282 1128 S C -0.029 174.638 174.600 0.112 0.000 1.338 1128 S CA -0.369 57.922 58.200 0.152 0.000 1.045 1128 S CB 0.279 63.591 63.200 0.186 0.000 0.873 1128 S HN 0.436 nan 8.310 nan 0.000 0.516 1129 H N 3.040 122.147 119.070 0.062 0.000 2.886 1129 H HA 0.150 4.706 4.556 0.000 0.000 0.329 1129 H C -1.758 173.524 175.328 -0.077 0.000 1.044 1129 H CA -1.286 54.773 56.048 0.017 0.000 1.456 1129 H CB 0.729 30.553 29.762 0.103 0.000 1.464 1129 H HN 0.307 nan 8.280 nan 0.000 0.573 1130 P HA -0.211 nan 4.420 nan 0.000 0.217 1130 P C 1.321 178.534 177.300 -0.144 0.000 1.148 1130 P CA 1.183 64.190 63.100 -0.156 0.000 0.828 1130 P CB 0.133 31.718 31.700 -0.192 0.000 0.783 1131 M N -0.464 119.069 119.600 -0.111 0.000 2.132 1131 M HA -0.051 4.429 4.480 0.000 0.000 0.263 1131 M C 1.950 178.082 176.300 -0.280 0.000 1.065 1131 M CA 1.788 56.859 55.300 -0.381 0.000 1.122 1131 M CB -1.120 30.776 32.600 -1.173 0.000 1.365 1131 M HN -0.149 nan 8.290 nan 0.000 0.411 1132 A N -1.078 121.674 122.820 -0.114 0.000 1.902 1132 A HA -0.089 4.232 4.320 0.000 0.000 0.217 1132 A C 2.157 179.644 177.584 -0.163 0.000 1.181 1132 A CA 1.859 53.894 52.037 -0.004 0.000 0.623 1132 A CB -1.214 17.871 19.000 0.142 0.000 0.818 1132 A HN 0.359 nan 8.150 nan 0.000 0.443 1133 V N -0.500 119.230 119.914 -0.306 0.000 2.407 1133 V HA -0.300 3.820 4.120 0.000 0.000 0.248 1133 V C 2.568 178.331 176.094 -0.552 0.000 1.055 1133 V CA 2.398 64.269 62.300 -0.715 0.000 1.049 1133 V CB -0.659 30.804 31.823 -0.600 0.000 0.662 1133 V HN 0.699 nan 8.190 nan 0.000 0.455 1134 M N 0.010 119.432 119.600 -0.296 0.000 2.067 1134 M HA -0.188 4.293 4.480 0.000 0.000 0.260 1134 M C 2.196 178.408 176.300 -0.147 0.000 1.069 1134 M CA 2.252 57.438 55.300 -0.191 0.000 1.117 1134 M CB -0.825 31.701 32.600 -0.122 0.000 1.334 1134 M HN 0.408 nan 8.290 nan 0.000 0.407 1135 C N 0.105 119.342 119.300 -0.104 0.000 2.425 1135 C HA -0.017 4.443 4.460 0.000 0.000 0.277 1135 C C 2.739 177.713 174.990 -0.028 0.000 1.280 1135 C CA 0.726 59.729 59.018 -0.025 0.000 1.744 1135 C CB -2.236 25.525 27.740 0.035 0.000 1.989 1135 C HN 0.794 nan 8.230 nan 0.000 0.491 1136 G N 0.928 109.679 108.800 -0.081 0.000 2.418 1136 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 1136 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 1136 G C 1.376 176.272 174.900 -0.007 0.000 1.158 1136 G CA 0.798 45.911 45.100 0.022 0.000 0.771 1136 G HN 0.406 nan 8.290 nan 0.000 0.545 1137 I N 1.510 121.956 120.570 -0.206 0.000 2.286 1137 I HA -0.083 4.087 4.170 0.000 0.000 0.245 1137 I C 2.865 178.928 176.117 -0.091 0.000 1.104 1137 I CA 1.396 62.559 61.300 -0.227 0.000 1.397 1137 I CB -1.637 36.054 38.000 -0.515 0.000 1.072 1137 I HN 0.111 nan 8.210 nan 0.000 0.417 1138 T N 0.968 115.488 114.554 -0.058 0.000 2.788 1138 T HA -0.098 4.252 4.350 0.000 0.000 0.268 1138 T C 1.831 176.570 174.700 0.065 0.000 1.044 1138 T CA 1.473 63.581 62.100 0.014 0.000 1.139 1138 T CB -0.671 68.226 68.868 0.048 0.000 0.867 1138 T HN 0.522 nan 8.240 nan 0.000 0.454 1139 G N 0.201 109.037 108.800 0.060 0.000 2.848 1139 G HA2 0.269 4.229 3.960 0.000 0.000 0.208 1139 G HA3 0.269 4.229 3.960 0.000 0.000 0.208 1139 G C 1.261 176.221 174.900 0.100 0.000 1.152 1139 G CA 0.541 45.693 45.100 0.085 0.000 0.789 1139 G HN 0.579 nan 8.290 nan 0.000 0.531 1140 A N -0.110 122.772 122.820 0.103 0.000 2.343 1140 A HA 0.434 4.754 4.320 0.000 0.000 0.223 1140 A C 2.033 179.763 177.584 0.243 0.000 1.214 1140 A CA -0.197 51.933 52.037 0.156 0.000 0.900 1140 A CB 0.025 19.140 19.000 0.192 0.000 0.942 1140 A HN 0.269 nan 8.150 nan 0.000 0.507 1141 L N -0.606 120.697 121.223 0.132 0.000 2.191 1141 L HA -0.183 4.157 4.340 0.000 0.000 0.212 1141 L C 2.869 179.798 176.870 0.098 0.000 1.103 1141 L CA 1.105 55.963 54.840 0.029 0.000 0.769 1141 L CB -0.500 41.268 42.059 -0.484 0.000 0.908 1141 L HN 0.447 nan 8.230 nan 0.000 0.438 1142 A N 0.162 123.118 122.820 0.226 0.000 2.015 1142 A HA -0.041 4.279 4.320 0.000 0.000 0.219 1142 A C 2.486 180.168 177.584 0.164 0.000 1.163 1142 A CA 1.368 53.598 52.037 0.321 0.000 0.646 1142 A CB -0.412 18.761 19.000 0.289 0.000 0.806 1142 A HN 0.382 nan 8.150 nan 0.000 0.448 1143 A N -1.648 121.181 122.820 0.014 0.000 2.119 1143 A HA 0.252 4.572 4.320 0.000 0.000 0.217 1143 A C 1.635 178.937 177.584 -0.471 0.000 1.153 1143 A CA 1.104 52.985 52.037 -0.260 0.000 0.692 1143 A CB -0.427 18.300 19.000 -0.455 0.000 0.799 1143 A HN 0.477 nan 8.150 nan 0.000 0.458 1144 F N -2.699 117.178 119.950 -0.121 0.000 2.485 1144 F HA 0.217 4.744 4.527 0.000 0.000 0.274 1144 F C 0.473 176.022 175.800 -0.419 0.000 0.963 1144 F CA -0.089 57.690 58.000 -0.369 0.000 1.169 1144 F CB -0.473 38.127 39.000 -0.667 0.000 1.145 1144 F HN 0.054 nan 8.300 nan 0.000 0.682 1145 Y N 2.164 122.492 120.300 0.046 0.000 2.889 1145 Y HA 0.063 4.613 4.550 0.000 0.000 0.367 1145 Y C 1.127 177.100 175.900 0.122 0.000 1.197 1145 Y CA -0.441 57.659 58.100 -0.000 0.000 1.993 1145 Y CB -1.669 36.785 38.460 -0.010 0.000 2.112 1145 Y HN 0.263 nan 8.280 nan 0.000 0.413 1146 H N -2.261 116.920 119.070 0.185 0.000 2.539 1146 H HA 0.027 4.583 4.556 0.000 0.000 0.267 1146 H C 0.731 176.135 175.328 0.127 0.000 0.982 1146 H CA 0.383 56.521 56.048 0.150 0.000 1.146 1146 H CB -0.107 29.688 29.762 0.056 0.000 1.382 1146 H HN 0.426 nan 8.280 nan 0.000 0.577 1147 D N 0.614 120.994 120.400 -0.032 0.000 2.325 1147 D HA -0.020 4.620 4.640 0.000 0.000 0.225 1147 D C 0.409 176.593 176.300 -0.193 0.000 1.096 1147 D CA 0.430 54.406 54.000 -0.039 0.000 0.844 1147 D CB -0.136 40.596 40.800 -0.113 0.000 0.925 1147 D HN 0.454 nan 8.370 nan 0.000 0.513 1148 S N -0.425 115.252 115.700 -0.037 0.000 2.828 1148 S HA 0.239 4.709 4.470 0.000 0.000 0.240 1148 S C 0.771 175.443 174.600 0.119 0.000 0.912 1148 S CA -0.646 57.490 58.200 -0.107 0.000 1.100 1148 S CB -0.825 62.346 63.200 -0.048 0.000 1.271 1148 S HN 0.150 nan 8.310 nan 0.000 0.476 1149 L N 0.162 121.540 121.223 0.259 0.000 2.585 1149 L HA 0.357 4.698 4.340 0.000 0.000 0.226 1149 L C 0.498 177.493 176.870 0.208 0.000 1.113 1149 L CA -0.046 54.914 54.840 0.200 0.000 0.876 1149 L CB -0.167 42.011 42.059 0.198 0.000 1.072 1149 L HN 0.317 nan 8.230 nan 0.000 0.468 1150 D N 1.257 121.830 120.400 0.288 0.000 2.383 1150 D HA 0.055 4.695 4.640 0.000 0.000 0.245 1150 D C 1.344 177.615 176.300 -0.048 0.000 1.263 1150 D CA -0.023 53.976 54.000 -0.003 0.000 0.936 1150 D CB 1.213 41.800 40.800 -0.355 0.000 1.053 1150 D HN 0.033 nan 8.370 nan 0.000 0.507 1151 V N 1.358 121.255 119.914 -0.027 0.000 3.241 1151 V HA -0.062 4.058 4.120 0.000 0.000 0.269 1151 V C 0.915 176.734 176.094 -0.458 0.000 1.151 1151 V CA 1.112 63.276 62.300 -0.227 0.000 1.158 1151 V CB -0.820 30.952 31.823 -0.086 0.000 0.764 1151 V HN 0.345 nan 8.190 nan 0.000 0.508 1152 N N 0.977 119.536 118.700 -0.235 0.000 2.270 1152 N HA 0.171 4.911 4.740 0.000 0.000 0.198 1152 N C 0.188 175.586 175.510 -0.187 0.000 1.117 1152 N CA 0.052 52.989 53.050 -0.189 0.000 0.845 1152 N CB 0.054 38.480 38.487 -0.102 0.000 0.980 1152 N HN 0.706 nan 8.380 nan 0.000 0.486 1153 N N 0.230 118.793 118.700 -0.228 0.000 2.524 1153 N HA 0.238 4.978 4.740 0.000 0.000 0.261 1153 N C -2.213 173.238 175.510 -0.098 0.000 0.998 1153 N CA -2.149 50.777 53.050 -0.208 0.000 0.915 1153 N CB 1.470 39.686 38.487 -0.452 0.000 1.187 1153 N HN -0.220 nan 8.380 nan 0.000 0.507 1154 P HA -0.217 nan 4.420 nan 0.000 0.218 1154 P C 1.049 178.386 177.300 0.062 0.000 1.146 1154 P CA 1.022 64.114 63.100 -0.014 0.000 0.820 1154 P CB 0.204 31.896 31.700 -0.013 0.000 0.778 1155 R N -1.129 119.430 120.500 0.097 0.000 2.062 1155 R HA -0.165 4.175 4.340 0.000 0.000 0.231 1155 R C 2.106 178.538 176.300 0.220 0.000 1.136 1155 R CA 1.561 57.755 56.100 0.157 0.000 0.948 1155 R CB -0.616 29.798 30.300 0.190 0.000 0.845 1155 R HN 0.217 nan 8.270 nan 0.000 0.430 1156 H N 0.153 119.242 119.070 0.031 0.000 2.319 1156 H HA -0.040 4.517 4.556 0.000 0.000 0.299 1156 H C 2.214 177.579 175.328 0.063 0.000 1.092 1156 H CA 1.728 57.801 56.048 0.041 0.000 1.302 1156 H CB -0.183 29.600 29.762 0.036 0.000 1.373 1156 H HN 0.191 nan 8.280 nan 0.000 0.497 1157 R N 0.272 120.911 120.500 0.232 0.000 2.083 1157 R HA -0.168 4.172 4.340 0.000 0.000 0.237 1157 R C 2.287 178.733 176.300 0.243 0.000 1.137 1157 R CA 1.591 57.865 56.100 0.290 0.000 0.951 1157 R CB -0.197 30.183 30.300 0.135 0.000 0.851 1157 R HN 0.500 nan 8.270 nan 0.000 0.434 1158 E N 0.823 121.132 120.200 0.181 0.000 2.106 1158 E HA -0.159 4.191 4.350 0.000 0.000 0.192 1158 E C 1.988 178.718 176.600 0.218 0.000 0.984 1158 E CA 0.877 57.397 56.400 0.198 0.000 0.806 1158 E CB 0.028 29.843 29.700 0.192 0.000 0.750 1158 E HN 0.303 nan 8.360 nan 0.000 0.458 1159 I N 0.832 121.481 120.570 0.132 0.000 2.252 1159 I HA -0.230 3.940 4.170 0.000 0.000 0.245 1159 I C 2.562 178.707 176.117 0.046 0.000 1.102 1159 I CA 0.942 62.279 61.300 0.063 0.000 1.385 1159 I CB -0.295 37.698 38.000 -0.013 0.000 1.064 1159 I HN 0.169 nan 8.210 nan 0.000 0.414 1160 A N 0.785 123.604 122.820 -0.002 0.000 1.902 1160 A HA -0.160 4.160 4.320 0.000 0.000 0.217 1160 A C 2.557 180.081 177.584 -0.100 0.000 1.181 1160 A CA 1.785 53.730 52.037 -0.154 0.000 0.623 1160 A CB -0.830 17.934 19.000 -0.394 0.000 0.818 1160 A HN 0.422 nan 8.150 nan 0.000 0.443 1161 A N -1.276 121.522 122.820 -0.038 0.000 1.908 1161 A HA -0.070 4.250 4.320 0.000 0.000 0.218 1161 A C 1.970 179.488 177.584 -0.111 0.000 1.181 1161 A CA 1.682 53.680 52.037 -0.064 0.000 0.627 1161 A CB -0.721 18.265 19.000 -0.024 0.000 0.818 1161 A HN 0.474 nan 8.150 nan 0.000 0.445 1162 F N -0.498 119.425 119.950 -0.045 0.000 2.293 1162 F HA 0.011 4.538 4.527 0.000 0.000 0.297 1162 F C 2.518 178.273 175.800 -0.074 0.000 1.089 1162 F CA 1.286 59.235 58.000 -0.086 0.000 1.377 1162 F CB -0.165 38.751 39.000 -0.141 0.000 1.051 1162 F HN 0.088 nan 8.300 nan 0.000 0.511 1163 R N -0.174 120.378 120.500 0.088 0.000 2.120 1163 R HA -0.116 4.224 4.340 0.000 0.000 0.234 1163 R C 2.090 178.408 176.300 0.029 0.000 1.123 1163 R CA 1.088 57.188 56.100 0.001 0.000 0.975 1163 R CB -0.440 29.811 30.300 -0.082 0.000 0.866 1163 R HN 0.324 nan 8.270 nan 0.000 0.446 1164 L N -0.171 121.101 121.223 0.082 0.000 2.095 1164 L HA -0.132 4.208 4.340 0.000 0.000 0.204 1164 L C 2.156 179.073 176.870 0.078 0.000 1.080 1164 L CA 0.528 55.423 54.840 0.091 0.000 0.759 1164 L CB -0.224 41.886 42.059 0.086 0.000 0.914 1164 L HN 0.163 nan 8.230 nan 0.000 0.439 1165 L N -1.097 120.159 121.223 0.055 0.000 2.141 1165 L HA -0.109 4.232 4.340 0.000 0.000 0.209 1165 L C 2.451 179.423 176.870 0.170 0.000 1.094 1165 L CA 1.560 56.460 54.840 0.100 0.000 0.763 1165 L CB -0.286 41.762 42.059 -0.018 0.000 0.908 1165 L HN 0.086 nan 8.230 nan 0.000 0.437 1166 S N -0.605 115.170 115.700 0.124 0.000 2.362 1166 S HA -0.085 4.386 4.470 0.000 0.000 0.221 1166 S C 1.805 176.442 174.600 0.063 0.000 1.032 1166 S CA 1.154 59.425 58.200 0.118 0.000 0.973 1166 S CB -0.081 63.203 63.200 0.140 0.000 0.849 1166 S HN 0.435 nan 8.310 nan 0.000 0.465 1167 K N 0.623 121.045 120.400 0.038 0.000 2.305 1167 K HA 0.206 4.526 4.320 0.000 0.000 0.199 1167 K C 1.976 178.580 176.600 0.007 0.000 1.047 1167 K CA 0.350 56.640 56.287 0.005 0.000 0.976 1167 K CB -0.103 32.375 32.500 -0.037 0.000 0.765 1167 K HN 0.194 nan 8.250 nan 0.000 0.474 1168 M N 0.897 120.516 119.600 0.033 0.000 2.082 1168 M HA -0.115 4.366 4.480 0.000 0.000 0.258 1168 M C -0.883 175.413 176.300 -0.006 0.000 1.069 1168 M CA 1.897 57.216 55.300 0.031 0.000 1.102 1168 M CB -1.734 30.904 32.600 0.064 0.000 1.336 1168 M HN -0.066 nan 8.290 nan 0.000 0.404 1169 P HA -0.063 nan 4.420 nan 0.000 0.217 1169 P C 1.441 178.779 177.300 0.062 0.000 1.150 1169 P CA 1.402 64.455 63.100 -0.079 0.000 0.832 1169 P CB -0.260 31.271 31.700 -0.282 0.000 0.787 1170 T N -0.464 114.084 114.554 -0.011 0.000 2.708 1170 T HA -0.195 4.155 4.350 0.000 0.000 0.266 1170 T C 1.788 176.445 174.700 -0.072 0.000 1.037 1170 T CA 1.414 63.482 62.100 -0.054 0.000 1.146 1170 T CB -0.826 68.000 68.868 -0.069 0.000 0.865 1170 T HN 0.090 nan 8.240 nan 0.000 0.435 1171 M N 1.073 120.665 119.600 -0.013 0.000 2.065 1171 M HA -0.128 4.352 4.480 0.000 0.000 0.259 1171 M C 2.541 178.890 176.300 0.082 0.000 1.069 1171 M CA 2.041 57.379 55.300 0.064 0.000 1.110 1171 M CB -0.405 32.234 32.600 0.066 0.000 1.328 1171 M HN 0.310 nan 8.290 nan 0.000 0.405 1172 A N 0.261 123.127 122.820 0.076 0.000 1.873 1172 A HA -0.160 4.160 4.320 0.000 0.000 0.218 1172 A C 2.314 179.985 177.584 0.145 0.000 1.193 1172 A CA 2.354 54.458 52.037 0.112 0.000 0.629 1172 A CB -1.421 17.645 19.000 0.110 0.000 0.826 1172 A HN 0.700 nan 8.150 nan 0.000 0.447 1173 A N -0.895 122.018 122.820 0.156 0.000 1.933 1173 A HA -0.135 4.185 4.320 0.000 0.000 0.218 1173 A C 2.251 179.817 177.584 -0.029 0.000 1.175 1173 A CA 1.893 53.925 52.037 -0.007 0.000 0.628 1173 A CB -0.537 18.388 19.000 -0.126 0.000 0.814 1173 A HN 0.553 nan 8.150 nan 0.000 0.444 1174 M N -1.265 118.246 119.600 -0.148 0.000 2.296 1174 M HA -0.150 4.330 4.480 0.000 0.000 0.265 1174 M C 2.162 178.400 176.300 -0.103 0.000 1.064 1174 M CA 0.954 56.041 55.300 -0.355 0.000 1.109 1174 M CB -0.494 31.373 32.600 -1.221 0.000 1.396 1174 M HN 0.555 nan 8.290 nan 0.000 0.430 1175 C N -0.951 118.390 119.300 0.068 0.000 2.457 1175 C HA -0.155 4.305 4.460 0.000 0.000 0.278 1175 C C 2.596 177.670 174.990 0.140 0.000 1.309 1175 C CA 0.494 59.627 59.018 0.191 0.000 1.735 1175 C CB -0.963 26.853 27.740 0.126 0.000 1.992 1175 C HN 0.572 nan 8.230 nan 0.000 0.493 1176 Y N 1.998 122.277 120.300 -0.036 0.000 2.133 1176 Y HA -0.147 4.403 4.550 0.000 0.000 0.287 1176 Y C 2.437 178.282 175.900 -0.092 0.000 1.134 1176 Y CA 1.520 59.557 58.100 -0.104 0.000 1.133 1176 Y CB -0.206 38.134 38.460 -0.200 0.000 0.987 1176 Y HN 0.022 nan 8.280 nan 0.000 0.502 1177 K N 0.065 120.315 120.400 -0.250 0.000 2.044 1177 K HA -0.278 4.042 4.320 0.000 0.000 0.210 1177 K C 1.989 178.422 176.600 -0.279 0.000 1.049 1177 K CA 2.014 58.099 56.287 -0.337 0.000 0.927 1177 K CB -1.258 31.172 32.500 -0.115 0.000 0.713 1177 K HN 0.531 nan 8.250 nan 0.000 0.443 1178 Y N 2.149 122.352 120.300 -0.162 0.000 2.128 1178 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 1178 Y C 2.694 178.494 175.900 -0.167 0.000 1.154 1178 Y CA 2.322 60.328 58.100 -0.157 0.000 1.149 1178 Y CB -0.237 38.263 38.460 0.067 0.000 0.976 1178 Y HN 0.241 nan 8.280 nan 0.000 0.505 1179 S N 0.470 116.107 115.700 -0.106 0.000 2.383 1179 S HA -0.237 4.233 4.470 0.000 0.000 0.229 1179 S C 1.732 176.166 174.600 -0.277 0.000 1.030 1179 S CA 1.569 59.668 58.200 -0.168 0.000 1.002 1179 S CB -1.285 61.850 63.200 -0.107 0.000 0.829 1179 S HN 0.664 nan 8.310 nan 0.000 0.467 1180 I N -2.540 117.799 120.570 -0.386 0.000 3.883 1180 I HA 0.528 4.698 4.170 0.000 0.000 0.326 1180 I C 1.270 177.190 176.117 -0.328 0.000 1.283 1180 I CA 0.114 61.195 61.300 -0.366 0.000 1.161 1180 I CB -0.609 37.097 38.000 -0.489 0.000 1.012 1180 I HN 0.369 nan 8.210 nan 0.000 0.421 1181 G N 1.788 110.363 108.800 -0.375 0.000 2.246 1181 G HA2 -0.244 3.716 3.960 0.000 0.000 0.273 1181 G HA3 -0.244 3.716 3.960 0.000 0.000 0.273 1181 G C -0.165 174.551 174.900 -0.307 0.000 1.055 1181 G CA 0.044 44.936 45.100 -0.347 0.000 0.851 1181 G HN 0.643 nan 8.290 nan 0.000 0.500 1182 Q N -0.016 119.575 119.800 -0.348 0.000 2.301 1182 Q HA 0.473 4.813 4.340 0.000 0.000 0.267 1182 Q C -2.212 173.574 176.000 -0.357 0.000 1.035 1182 Q CA -2.003 53.623 55.803 -0.296 0.000 0.856 1182 Q CB 2.480 31.055 28.738 -0.270 0.000 1.337 1182 Q HN 0.266 nan 8.270 nan 0.000 0.450 1183 P HA 0.009 nan 4.420 nan 0.000 0.268 1183 P C -0.829 176.320 177.300 -0.252 0.000 1.205 1183 P CA 0.095 63.017 63.100 -0.297 0.000 0.771 1183 P CB 0.347 31.957 31.700 -0.150 0.000 0.858 1184 F N 1.234 121.087 119.950 -0.163 0.000 2.563 1184 F HA 0.087 4.614 4.527 0.000 0.000 0.363 1184 F C 0.999 176.640 175.800 -0.265 0.000 1.123 1184 F CA -0.012 57.828 58.000 -0.266 0.000 1.307 1184 F CB -0.013 38.772 39.000 -0.358 0.000 1.115 1184 F HN 0.018 nan 8.300 nan 0.000 0.592 1185 V N 3.690 123.559 119.914 -0.075 0.000 2.513 1185 V HA 0.288 4.408 4.120 0.000 0.000 0.299 1185 V C -0.524 175.467 176.094 -0.172 0.000 1.035 1185 V CA -1.137 61.109 62.300 -0.090 0.000 0.889 1185 V CB 1.235 33.013 31.823 -0.076 0.000 0.988 1185 V HN 0.465 nan 8.190 nan 0.000 0.440 1186 Y N 5.313 125.603 120.300 -0.016 0.000 2.301 1186 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 1186 Y C -1.565 174.317 175.900 -0.030 0.000 1.242 1186 Y CA -1.782 56.301 58.100 -0.028 0.000 1.323 1186 Y CB 0.640 39.088 38.460 -0.020 0.000 1.266 1186 Y HN 0.438 nan 8.280 nan 0.000 0.527 1187 P HA 0.084 nan 4.420 nan 0.000 0.269 1187 P C -0.820 176.521 177.300 0.068 0.000 1.209 1187 P CA -0.066 63.071 63.100 0.062 0.000 0.776 1187 P CB 0.755 32.480 31.700 0.041 0.000 0.876 1188 R N 2.976 123.504 120.500 0.047 0.000 2.343 1188 R HA 0.209 4.549 4.340 0.000 0.000 0.320 1188 R C 0.869 177.191 176.300 0.037 0.000 0.956 1188 R CA -0.684 55.443 56.100 0.045 0.000 0.836 1188 R CB 0.882 31.214 30.300 0.053 0.000 1.151 1188 R HN 0.412 nan 8.270 nan 0.000 0.450 1189 N N 1.672 120.387 118.700 0.025 0.000 2.381 1189 N HA -0.153 4.587 4.740 0.000 0.000 0.182 1189 N C 0.919 176.450 175.510 0.034 0.000 1.025 1189 N CA 1.181 54.243 53.050 0.021 0.000 0.888 1189 N CB 0.192 38.679 38.487 0.001 0.000 0.965 1189 N HN 0.631 nan 8.380 nan 0.000 0.438 1190 D N -0.322 120.100 120.400 0.038 0.000 2.333 1190 D HA -0.049 4.591 4.640 0.000 0.000 0.208 1190 D C 0.637 176.975 176.300 0.063 0.000 0.984 1190 D CA 0.060 54.087 54.000 0.046 0.000 0.873 1190 D CB 0.197 41.020 40.800 0.038 0.000 0.935 1190 D HN 0.158 nan 8.370 nan 0.000 0.521 1191 L N 1.732 122.997 121.223 0.070 0.000 2.421 1191 L HA 0.179 4.519 4.340 0.000 0.000 0.263 1191 L C 1.232 178.169 176.870 0.112 0.000 1.122 1191 L CA -0.780 54.113 54.840 0.088 0.000 0.804 1191 L CB 1.515 43.627 42.059 0.089 0.000 1.150 1191 L HN 0.026 nan 8.230 nan 0.000 0.457 1192 S N 0.302 116.086 115.700 0.139 0.000 2.617 1192 S HA -0.037 4.433 4.470 0.000 0.000 0.255 1192 S C 0.896 175.635 174.600 0.230 0.000 1.318 1192 S CA -0.143 58.173 58.200 0.193 0.000 0.978 1192 S CB 0.294 63.615 63.200 0.201 0.000 0.961 1192 S HN 0.602 nan 8.310 nan 0.000 0.582 1193 Y N 0.937 121.342 120.300 0.176 0.000 2.114 1193 Y HA -0.057 4.493 4.550 0.000 0.000 0.284 1193 Y C 2.607 178.618 175.900 0.184 0.000 1.143 1193 Y CA 2.059 60.272 58.100 0.189 0.000 1.135 1193 Y CB -1.004 37.609 38.460 0.256 0.000 0.980 1193 Y HN 0.764 nan 8.280 nan 0.000 0.499 1194 A N -0.109 123.000 122.820 0.483 0.000 1.968 1194 A HA -0.021 4.300 4.320 0.000 0.000 0.217 1194 A C 2.343 180.092 177.584 0.274 0.000 1.169 1194 A CA 1.409 53.671 52.037 0.375 0.000 0.638 1194 A CB -1.553 17.622 19.000 0.293 0.000 0.812 1194 A HN 0.619 nan 8.150 nan 0.000 0.446 1195 G N 0.076 109.007 108.800 0.218 0.000 2.403 1195 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 1195 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 1195 G C 1.459 176.451 174.900 0.154 0.000 1.154 1195 G CA 1.207 46.412 45.100 0.176 0.000 0.784 1195 G HN 0.628 nan 8.290 nan 0.000 0.538 1196 N N -0.135 118.640 118.700 0.125 0.000 2.142 1196 N HA -0.105 4.635 4.740 0.000 0.000 0.186 1196 N C 1.833 177.369 175.510 0.043 0.000 1.023 1196 N CA 1.020 54.112 53.050 0.069 0.000 0.852 1196 N CB -0.388 38.116 38.487 0.029 0.000 0.998 1196 N HN 0.196 nan 8.380 nan 0.000 0.424 1197 F N 1.088 120.986 119.950 -0.087 0.000 2.126 1197 F HA -0.041 4.486 4.527 0.000 0.000 0.299 1197 F C 1.788 177.550 175.800 -0.063 0.000 1.096 1197 F CA 1.273 59.203 58.000 -0.117 0.000 1.255 1197 F CB -0.412 38.507 39.000 -0.135 0.000 0.997 1197 F HN 0.084 nan 8.300 nan 0.000 0.479 1198 L N -0.041 121.112 121.223 -0.117 0.000 2.083 1198 L HA -0.238 4.102 4.340 0.000 0.000 0.209 1198 L C 2.264 179.065 176.870 -0.115 0.000 1.083 1198 L CA 1.716 56.511 54.840 -0.075 0.000 0.752 1198 L CB -0.922 41.290 42.059 0.256 0.000 0.899 1198 L HN 0.229 nan 8.230 nan 0.000 0.433 1199 N N 0.370 119.050 118.700 -0.033 0.000 2.084 1199 N HA -0.182 4.558 4.740 0.000 0.000 0.190 1199 N C 1.921 177.284 175.510 -0.246 0.000 1.030 1199 N CA 1.481 54.473 53.050 -0.097 0.000 0.849 1199 N CB -0.067 38.470 38.487 0.083 0.000 1.012 1199 N HN 0.160 nan 8.380 nan 0.000 0.423 1200 M N -0.767 118.691 119.600 -0.236 0.000 2.279 1200 M HA -0.096 4.384 4.480 0.000 0.000 0.264 1200 M C 1.505 177.591 176.300 -0.356 0.000 1.062 1200 M CA 0.901 56.053 55.300 -0.246 0.000 1.099 1200 M CB -0.055 32.432 32.600 -0.189 0.000 1.394 1200 M HN 0.274 nan 8.290 nan 0.000 0.426 1201 M N -1.343 117.901 119.600 -0.593 0.000 2.216 1201 M HA 0.011 4.491 4.480 0.000 0.000 0.264 1201 M C 1.512 177.373 176.300 -0.732 0.000 1.080 1201 M CA 1.734 56.569 55.300 -0.776 0.000 1.153 1201 M CB -0.611 31.159 32.600 -1.382 0.000 1.356 1201 M HN 0.221 nan 8.290 nan 0.000 0.432 1202 F N -0.663 119.008 119.950 -0.465 0.000 2.720 1202 F HA 0.188 4.715 4.527 0.000 0.000 0.301 1202 F C 1.549 176.912 175.800 -0.728 0.000 1.103 1202 F CA -0.406 57.239 58.000 -0.592 0.000 1.291 1202 F CB 0.046 38.593 39.000 -0.756 0.000 1.086 1202 F HN -0.026 nan 8.300 nan 0.000 0.592 1203 S N 0.116 115.507 115.700 -0.515 0.000 2.580 1203 S HA 0.403 4.873 4.470 0.000 0.000 0.266 1203 S C 0.071 174.611 174.600 -0.101 0.000 1.354 1203 S CA 0.372 58.422 58.200 -0.250 0.000 1.008 1203 S CB 0.621 63.749 63.200 -0.120 0.000 0.898 1203 S HN 0.129 nan 8.310 nan 0.000 0.555 1204 T N 3.231 117.775 114.554 -0.018 0.000 2.957 1204 T HA 0.412 4.762 4.350 0.000 0.000 0.336 1204 T C -2.436 172.272 174.700 0.013 0.000 1.462 1204 T CA -0.661 61.432 62.100 -0.012 0.000 1.073 1204 T CB 1.671 70.538 68.868 -0.001 0.000 1.319 1204 T HN 0.371 nan 8.240 nan 0.000 0.485 1205 P HA 0.079 nan 4.420 nan 0.000 0.230 1205 P C 1.047 178.356 177.300 0.014 0.000 1.158 1205 P CA 0.470 63.578 63.100 0.012 0.000 0.769 1205 P CB -0.126 31.576 31.700 0.003 0.000 0.807 1206 C N -0.033 119.275 119.300 0.014 0.000 2.432 1206 C HA -0.009 4.451 4.460 0.000 0.000 0.280 1206 C C 1.136 176.140 174.990 0.024 0.000 1.353 1206 C CA 0.441 59.468 59.018 0.015 0.000 1.766 1206 C CB -1.668 26.079 27.740 0.012 0.000 1.924 1206 C HN 0.395 nan 8.230 nan 0.000 0.509 1207 E N -0.720 119.503 120.200 0.039 0.000 2.405 1207 E HA 0.232 4.582 4.350 0.000 0.000 0.283 1207 E C -3.186 173.457 176.600 0.072 0.000 1.140 1207 E CA -1.253 55.175 56.400 0.045 0.000 0.904 1207 E CB 0.135 29.858 29.700 0.039 0.000 1.209 1207 E HN -0.087 nan 8.360 nan 0.000 0.428 1208 P HA -0.024 nan 4.420 nan 0.000 0.267 1208 P C -1.153 176.224 177.300 0.127 0.000 1.205 1208 P CA 0.186 63.339 63.100 0.087 0.000 0.765 1208 P CB 0.129 31.860 31.700 0.052 0.000 0.828 1209 Y N 1.914 122.226 120.300 0.020 0.000 2.359 1209 Y HA 0.149 4.699 4.550 0.000 0.000 0.334 1209 Y C 0.660 176.569 175.900 0.015 0.000 1.058 1209 Y CA -0.381 57.733 58.100 0.023 0.000 1.244 1209 Y CB 0.875 39.361 38.460 0.043 0.000 1.187 1209 Y HN 0.334 nan 8.280 nan 0.000 0.510 1210 E N 4.726 124.624 120.200 -0.504 0.000 2.081 1210 E HA 0.302 4.652 4.350 0.000 0.000 0.276 1210 E C -1.418 174.806 176.600 -0.627 0.000 0.950 1210 E CA -0.465 55.693 56.400 -0.404 0.000 0.776 1210 E CB 0.768 30.312 29.700 -0.260 0.000 1.094 1210 E HN 0.495 nan 8.360 nan 0.000 0.402 1211 V N 5.459 125.165 119.914 -0.347 0.000 2.455 1211 V HA 0.085 4.205 4.120 0.000 0.000 0.273 1211 V C 0.503 176.515 176.094 -0.136 0.000 1.045 1211 V CA -0.664 61.511 62.300 -0.208 0.000 0.976 1211 V CB 0.795 32.633 31.823 0.026 0.000 0.993 1211 V HN 0.642 nan 8.190 nan 0.000 0.475 1212 N N 7.147 125.766 118.700 -0.135 0.000 2.475 1212 N HA 0.143 4.883 4.740 0.000 0.000 0.267 1212 N C -1.618 173.871 175.510 -0.035 0.000 1.169 1212 N CA -1.596 51.400 53.050 -0.089 0.000 0.947 1212 N CB 1.837 40.267 38.487 -0.095 0.000 1.061 1212 N HN 0.253 nan 8.380 nan 0.000 0.466 1213 P HA -0.119 nan 4.420 nan 0.000 0.216 1213 P C 1.385 178.687 177.300 0.004 0.000 1.153 1213 P CA 1.289 64.387 63.100 -0.003 0.000 0.858 1213 P CB 0.274 31.968 31.700 -0.009 0.000 0.789 1214 I N -1.674 118.889 120.570 -0.012 0.000 2.286 1214 I HA -0.206 3.964 4.170 0.000 0.000 0.248 1214 I C 2.218 178.337 176.117 0.003 0.000 1.115 1214 I CA 1.249 62.543 61.300 -0.011 0.000 1.392 1214 I CB -0.582 37.398 38.000 -0.032 0.000 1.065 1214 I HN -0.069 nan 8.210 nan 0.000 0.418 1215 L N 0.180 121.405 121.223 0.004 0.000 2.109 1215 L HA -0.161 4.179 4.340 0.000 0.000 0.207 1215 L C 2.611 179.522 176.870 0.068 0.000 1.086 1215 L CA 1.179 56.035 54.840 0.026 0.000 0.760 1215 L CB -0.604 41.462 42.059 0.011 0.000 0.910 1215 L HN 0.315 nan 8.230 nan 0.000 0.437 1216 E N 0.676 120.919 120.200 0.072 0.000 2.077 1216 E HA -0.260 4.090 4.350 0.000 0.000 0.193 1216 E C 2.348 179.009 176.600 0.102 0.000 0.989 1216 E CA 1.040 57.504 56.400 0.107 0.000 0.800 1216 E CB 0.099 29.859 29.700 0.100 0.000 0.746 1216 E HN 0.300 nan 8.360 nan 0.000 0.452 1217 R N 0.108 120.650 120.500 0.070 0.000 2.075 1217 R HA -0.117 4.223 4.340 0.000 0.000 0.232 1217 R C 2.250 178.586 176.300 0.061 0.000 1.126 1217 R CA 1.159 57.296 56.100 0.061 0.000 0.963 1217 R CB -0.245 30.077 30.300 0.037 0.000 0.858 1217 R HN 0.152 nan 8.270 nan 0.000 0.435 1218 A N 1.218 124.071 122.820 0.054 0.000 1.865 1218 A HA -0.251 4.069 4.320 0.000 0.000 0.217 1218 A C 2.110 179.739 177.584 0.075 0.000 1.191 1218 A CA 1.808 53.877 52.037 0.053 0.000 0.623 1218 A CB -0.612 18.413 19.000 0.043 0.000 0.826 1218 A HN 0.430 nan 8.150 nan 0.000 0.444 1219 M N 0.289 119.949 119.600 0.100 0.000 2.108 1219 M HA -0.157 4.323 4.480 0.000 0.000 0.261 1219 M C 1.509 177.865 176.300 0.094 0.000 1.066 1219 M CA 2.486 57.862 55.300 0.126 0.000 1.107 1219 M CB -0.902 31.817 32.600 0.198 0.000 1.356 1219 M HN 0.502 nan 8.290 nan 0.000 0.406 1220 D N -0.857 119.605 120.400 0.103 0.000 2.117 1220 D HA -0.161 4.479 4.640 0.000 0.000 0.197 1220 D C 2.014 178.355 176.300 0.067 0.000 0.987 1220 D CA 1.462 55.516 54.000 0.090 0.000 0.829 1220 D CB 0.051 40.927 40.800 0.125 0.000 0.961 1220 D HN 0.415 nan 8.370 nan 0.000 0.460 1221 R N -0.169 120.371 120.500 0.067 0.000 2.075 1221 R HA -0.038 4.302 4.340 0.000 0.000 0.232 1221 R C 2.496 178.832 176.300 0.060 0.000 1.126 1221 R CA 0.940 57.074 56.100 0.056 0.000 0.963 1221 R CB -0.281 30.043 30.300 0.041 0.000 0.858 1221 R HN 0.333 nan 8.270 nan 0.000 0.435 1222 I N 0.617 121.236 120.570 0.082 0.000 2.163 1222 I HA -0.304 3.866 4.170 0.000 0.000 0.243 1222 I C 1.867 178.102 176.117 0.197 0.000 1.085 1222 I CA 1.098 62.495 61.300 0.161 0.000 1.347 1222 I CB -0.214 37.885 38.000 0.166 0.000 1.044 1222 I HN 0.111 nan 8.210 nan 0.000 0.408 1223 L N 0.278 121.508 121.223 0.011 0.000 2.083 1223 L HA -0.185 4.155 4.340 0.000 0.000 0.209 1223 L C 2.324 179.216 176.870 0.038 0.000 1.083 1223 L CA 1.793 56.513 54.840 -0.200 0.000 0.752 1223 L CB -0.719 40.885 42.059 -0.758 0.000 0.899 1223 L HN 0.188 nan 8.230 nan 0.000 0.433 1224 I N -1.089 119.561 120.570 0.132 0.000 2.179 1224 I HA -0.312 3.858 4.170 0.000 0.000 0.242 1224 I C 2.149 178.322 176.117 0.093 0.000 1.088 1224 I CA 1.165 62.572 61.300 0.178 0.000 1.357 1224 I CB -0.234 37.840 38.000 0.124 0.000 1.051 1224 I HN 0.183 nan 8.210 nan 0.000 0.409 1225 L N -0.440 120.788 121.223 0.008 0.000 2.456 1225 L HA -0.176 4.164 4.340 0.000 0.000 0.224 1225 L C 1.634 178.310 176.870 -0.323 0.000 1.148 1225 L CA 1.088 55.840 54.840 -0.146 0.000 0.825 1225 L CB -0.648 41.267 42.059 -0.240 0.000 0.937 1225 L HN 0.355 nan 8.230 nan 0.000 0.450 1226 H N -1.762 117.279 119.070 -0.048 0.000 2.755 1226 H HA 0.270 4.826 4.556 0.000 0.000 0.273 1226 H C 2.101 177.397 175.328 -0.053 0.000 1.055 1226 H CA 0.429 56.424 56.048 -0.089 0.000 1.191 1226 H CB 0.373 30.056 29.762 -0.132 0.000 1.536 1226 H HN 0.177 nan 8.280 nan 0.000 0.529 1227 A N 0.338 123.207 122.820 0.082 0.000 1.958 1227 A HA -0.177 4.143 4.320 0.000 0.000 0.221 1227 A C 0.513 178.047 177.584 -0.083 0.000 1.178 1227 A CA 2.175 54.225 52.037 0.022 0.000 0.642 1227 A CB -0.098 18.888 19.000 -0.024 0.000 0.816 1227 A HN 0.468 nan 8.150 nan 0.000 0.453 1228 D N -5.247 115.129 120.400 -0.040 0.000 2.706 1228 D HA 0.385 5.025 4.640 0.000 0.000 0.225 1228 D C -0.833 175.659 176.300 0.320 0.000 1.241 1228 D CA -0.520 53.529 54.000 0.081 0.000 0.784 1228 D CB 0.709 41.518 40.800 0.014 0.000 1.521 1228 D HN 0.198 nan 8.370 nan 0.000 0.461 1229 H N 2.772 121.945 119.070 0.172 0.000 2.924 1229 H HA 0.210 4.766 4.556 0.000 0.000 0.229 1229 H C -0.102 175.298 175.328 0.119 0.000 1.345 1229 H CA -0.236 55.906 56.048 0.156 0.000 1.044 1229 H CB 0.330 30.169 29.762 0.130 0.000 2.221 1229 H HN 0.602 nan 8.280 nan 0.000 0.574 1230 E N 0.283 120.580 120.200 0.162 0.000 4.788 1230 E HA -0.228 4.122 4.350 0.000 0.000 0.194 1230 E C -0.221 176.330 176.600 -0.083 0.000 1.477 1230 E CA 0.509 56.951 56.400 0.070 0.000 2.443 1230 E CB -0.055 29.612 29.700 -0.054 0.000 2.075 1230 E HN 0.455 nan 8.360 nan 0.000 0.466 1231 Q N 1.071 120.828 119.800 -0.072 0.000 2.216 1231 Q HA -0.039 4.301 4.340 0.000 0.000 0.175 1231 Q C 0.243 176.212 176.000 -0.052 0.000 0.816 1231 Q CA 0.956 56.707 55.803 -0.085 0.000 1.016 1231 Q CB -1.789 26.926 28.738 -0.038 0.000 1.400 1231 Q HN 0.336 nan 8.270 nan 0.000 0.373 1232 N N -2.360 116.327 118.700 -0.022 0.000 2.379 1232 N HA 0.318 5.059 4.740 0.000 0.000 0.260 1232 N C 1.094 176.639 175.510 0.058 0.000 1.254 1232 N CA 0.066 53.142 53.050 0.043 0.000 0.958 1232 N CB 0.664 39.230 38.487 0.131 0.000 1.208 1232 N HN -0.044 nan 8.380 nan 0.000 0.532 1233 A N 0.483 123.348 122.820 0.076 0.000 1.927 1233 A HA -0.286 4.034 4.320 0.000 0.000 0.220 1233 A C 2.363 179.976 177.584 0.049 0.000 1.185 1233 A CA 2.502 54.576 52.037 0.062 0.000 0.639 1233 A CB -1.532 17.504 19.000 0.061 0.000 0.820 1233 A HN 0.843 nan 8.150 nan 0.000 0.451 1234 S N -1.481 114.274 115.700 0.092 0.000 2.355 1234 S HA -0.142 4.328 4.470 0.000 0.000 0.222 1234 S C 1.891 176.439 174.600 -0.087 0.000 1.031 1234 S CA 1.867 60.088 58.200 0.036 0.000 0.993 1234 S CB -1.268 62.071 63.200 0.232 0.000 0.859 1234 S HN 0.463 nan 8.310 nan 0.000 0.453 1235 T N 2.275 116.861 114.554 0.053 0.000 2.788 1235 T HA -0.012 4.338 4.350 0.000 0.000 0.268 1235 T C 2.096 176.755 174.700 -0.067 0.000 1.044 1235 T CA 1.549 63.641 62.100 -0.013 0.000 1.139 1235 T CB -0.596 68.234 68.868 -0.062 0.000 0.867 1235 T HN 0.499 nan 8.240 nan 0.000 0.454 1236 S N 0.797 116.471 115.700 -0.043 0.000 2.402 1236 S HA -0.095 4.375 4.470 0.000 0.000 0.229 1236 S C 2.343 176.924 174.600 -0.033 0.000 1.021 1236 S CA 1.196 59.377 58.200 -0.031 0.000 0.974 1236 S CB -0.476 62.727 63.200 0.004 0.000 0.800 1236 S HN 0.521 nan 8.310 nan 0.000 0.484 1237 T N 1.988 116.511 114.554 -0.053 0.000 2.737 1237 T HA -0.043 4.307 4.350 0.000 0.000 0.265 1237 T C 1.960 176.607 174.700 -0.087 0.000 1.038 1237 T CA 1.154 63.215 62.100 -0.064 0.000 1.144 1237 T CB -0.383 68.430 68.868 -0.091 0.000 0.866 1237 T HN 0.171 nan 8.240 nan 0.000 0.434 1238 V N 1.481 121.301 119.914 -0.156 0.000 2.287 1238 V HA -0.201 3.919 4.120 0.000 0.000 0.248 1238 V C 2.628 178.747 176.094 0.041 0.000 1.053 1238 V CA 1.730 63.956 62.300 -0.123 0.000 1.027 1238 V CB -0.541 31.145 31.823 -0.228 0.000 0.646 1238 V HN 0.375 nan 8.190 nan 0.000 0.447 1239 R N -0.458 120.065 120.500 0.038 0.000 2.120 1239 R HA -0.134 4.206 4.340 0.000 0.000 0.234 1239 R C 2.337 178.638 176.300 0.001 0.000 1.123 1239 R CA 1.899 58.028 56.100 0.047 0.000 0.975 1239 R CB -0.541 29.768 30.300 0.014 0.000 0.866 1239 R HN 0.545 nan 8.270 nan 0.000 0.446 1240 T N 0.409 114.956 114.554 -0.011 0.000 2.851 1240 T HA -0.011 4.339 4.350 0.000 0.000 0.262 1240 T C 1.920 176.623 174.700 0.005 0.000 1.043 1240 T CA 1.087 63.176 62.100 -0.018 0.000 1.140 1240 T CB -0.097 68.764 68.868 -0.012 0.000 0.872 1240 T HN 0.323 nan 8.240 nan 0.000 0.446 1241 A N 1.587 124.420 122.820 0.023 0.000 1.902 1241 A HA 0.134 4.454 4.320 0.000 0.000 0.217 1241 A C 2.616 180.256 177.584 0.093 0.000 1.181 1241 A CA 1.770 53.833 52.037 0.043 0.000 0.623 1241 A CB -1.348 17.668 19.000 0.028 0.000 0.818 1241 A HN 0.500 nan 8.150 nan 0.000 0.443 1242 G N -0.044 108.847 108.800 0.152 0.000 2.422 1242 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 1242 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 1242 G C 1.907 176.818 174.900 0.018 0.000 1.140 1242 G CA 1.651 46.895 45.100 0.241 0.000 0.775 1242 G HN 0.850 nan 8.290 nan 0.000 0.545 1243 S N 1.427 117.095 115.700 -0.052 0.000 2.400 1243 S HA -0.189 4.281 4.470 0.000 0.000 0.232 1243 S C 2.432 177.004 174.600 -0.047 0.000 1.025 1243 S CA 1.937 60.073 58.200 -0.108 0.000 0.993 1243 S CB -0.633 62.511 63.200 -0.093 0.000 0.808 1243 S HN 0.602 nan 8.310 nan 0.000 0.478 1244 S N 0.492 116.194 115.700 0.004 0.000 2.489 1244 S HA 0.391 4.861 4.470 0.000 0.000 0.228 1244 S C 1.655 176.288 174.600 0.054 0.000 0.995 1244 S CA 0.702 58.916 58.200 0.023 0.000 0.934 1244 S CB -0.577 62.640 63.200 0.028 0.000 0.771 1244 S HN 1.614 nan 8.310 nan 0.000 0.522 1245 G N 0.525 109.385 108.800 0.100 0.000 2.184 1245 G HA2 0.029 3.990 3.960 0.000 0.000 0.206 1245 G HA3 0.029 3.990 3.960 0.000 0.000 0.206 1245 G C 0.248 175.253 174.900 0.175 0.000 0.995 1245 G CA -0.160 45.031 45.100 0.152 0.000 0.651 1245 G HN 1.230 nan 8.290 nan 0.000 0.511 1246 A N 0.419 123.337 122.820 0.163 0.000 2.561 1246 A HA 0.468 4.788 4.320 0.000 0.000 0.234 1246 A C 0.860 178.557 177.584 0.187 0.000 1.055 1246 A CA 0.854 52.978 52.037 0.145 0.000 0.756 1246 A CB -0.131 18.936 19.000 0.112 0.000 0.986 1246 A HN 1.900 nan 8.150 nan 0.000 0.505 1247 N N 2.313 121.087 118.700 0.123 0.000 2.344 1247 N HA 0.182 4.922 4.740 0.000 0.000 0.236 1247 N C -2.214 173.256 175.510 -0.067 0.000 1.279 1247 N CA -0.554 52.542 53.050 0.076 0.000 0.882 1247 N CB 0.083 38.621 38.487 0.086 0.000 1.110 1247 N HN 0.238 nan 8.380 nan 0.000 0.436 1248 P HA -0.164 nan 4.420 nan 0.000 0.214 1248 P C 0.755 177.697 177.300 -0.597 0.000 1.163 1248 P CA 1.647 64.260 63.100 -0.812 0.000 0.889 1248 P CB -0.096 30.970 31.700 -1.056 0.000 0.790 1249 F N -0.314 119.550 119.950 -0.144 0.000 2.102 1249 F HA -0.178 4.349 4.527 0.000 0.000 0.298 1249 F C 2.500 178.264 175.800 -0.059 0.000 1.105 1249 F CA 0.911 58.865 58.000 -0.077 0.000 1.239 1249 F CB -1.283 37.722 39.000 0.008 0.000 0.991 1249 F HN -0.116 nan 8.300 nan 0.000 0.474 1250 A N -0.685 122.205 122.820 0.117 0.000 1.972 1250 A HA -0.198 4.122 4.320 0.000 0.000 0.219 1250 A C 2.206 179.784 177.584 -0.011 0.000 1.169 1250 A CA 1.738 53.814 52.037 0.066 0.000 0.635 1250 A CB -1.496 17.546 19.000 0.071 0.000 0.810 1250 A HN 0.529 nan 8.150 nan 0.000 0.446 1251 C N -0.510 118.742 119.300 -0.080 0.000 2.432 1251 C HA -0.081 4.379 4.460 0.000 0.000 0.277 1251 C C 2.539 177.421 174.990 -0.181 0.000 1.249 1251 C CA 0.819 59.760 59.018 -0.129 0.000 1.725 1251 C CB -1.025 26.579 27.740 -0.227 0.000 2.028 1251 C HN 0.590 nan 8.230 nan 0.000 0.477 1252 I N 1.587 122.071 120.570 -0.145 0.000 2.226 1252 I HA -0.154 4.016 4.170 0.000 0.000 0.245 1252 I C 2.792 178.848 176.117 -0.102 0.000 1.100 1252 I CA 1.910 63.165 61.300 -0.075 0.000 1.374 1252 I CB -1.716 36.353 38.000 0.116 0.000 1.057 1252 I HN 0.265 nan 8.210 nan 0.000 0.413 1253 A N 0.982 123.787 122.820 -0.025 0.000 1.940 1253 A HA -0.163 4.157 4.320 0.000 0.000 0.219 1253 A C 2.547 180.097 177.584 -0.057 0.000 1.176 1253 A CA 2.097 54.131 52.037 -0.005 0.000 0.631 1253 A CB -0.696 18.324 19.000 0.033 0.000 0.814 1253 A HN 0.431 nan 8.150 nan 0.000 0.446 1254 A N -0.724 122.033 122.820 -0.105 0.000 1.968 1254 A HA 0.208 4.528 4.320 0.000 0.000 0.217 1254 A C 2.354 179.800 177.584 -0.230 0.000 1.169 1254 A CA 1.704 53.672 52.037 -0.115 0.000 0.638 1254 A CB -1.175 17.767 19.000 -0.096 0.000 0.812 1254 A HN 0.684 nan 8.150 nan 0.000 0.446 1255 G N 0.165 108.668 108.800 -0.495 0.000 2.402 1255 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 1255 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 1255 G C 1.514 176.030 174.900 -0.641 0.000 1.162 1255 G CA 1.052 45.567 45.100 -0.975 0.000 0.777 1255 G HN 0.462 nan 8.290 nan 0.000 0.539 1256 I N 1.445 121.819 120.570 -0.326 0.000 2.163 1256 I HA -0.207 3.963 4.170 0.000 0.000 0.243 1256 I C 3.285 179.501 176.117 0.165 0.000 1.085 1256 I CA 1.145 62.527 61.300 0.137 0.000 1.347 1256 I CB -0.251 37.843 38.000 0.156 0.000 1.044 1256 I HN 0.243 nan 8.210 nan 0.000 0.408 1257 A N -0.363 122.525 122.820 0.114 0.000 1.969 1257 A HA -0.214 4.106 4.320 0.000 0.000 0.218 1257 A C 2.480 180.187 177.584 0.205 0.000 1.169 1257 A CA 2.066 54.235 52.037 0.219 0.000 0.635 1257 A CB -0.665 18.429 19.000 0.157 0.000 0.810 1257 A HN 0.416 nan 8.150 nan 0.000 0.445 1258 S N -0.845 114.909 115.700 0.091 0.000 2.368 1258 S HA -0.111 4.359 4.470 0.000 0.000 0.224 1258 S C 1.876 176.561 174.600 0.141 0.000 1.029 1258 S CA 1.443 59.687 58.200 0.073 0.000 0.988 1258 S CB -0.368 62.823 63.200 -0.015 0.000 0.838 1258 S HN 0.407 nan 8.310 nan 0.000 0.462 1259 L N 0.884 122.239 121.223 0.220 0.000 2.141 1259 L HA 0.123 4.463 4.340 0.000 0.000 0.209 1259 L C 1.962 179.027 176.870 0.324 0.000 1.094 1259 L CA 1.525 56.553 54.840 0.313 0.000 0.763 1259 L CB -0.571 41.770 42.059 0.470 0.000 0.908 1259 L HN 0.620 nan 8.230 nan 0.000 0.437 1260 W N -0.206 121.118 121.300 0.039 0.000 2.388 1260 W HA -0.107 4.553 4.660 0.000 0.000 0.294 1260 W C 1.975 178.322 176.519 -0.286 0.000 1.212 1260 W CA 0.687 57.978 57.345 -0.091 0.000 1.271 1260 W CB -0.190 29.237 29.460 -0.056 0.000 1.126 1260 W HN 0.314 nan 8.180 nan 0.000 0.535 1261 G N 2.618 111.352 108.800 -0.110 0.000 3.026 1261 G HA2 -0.396 3.564 3.960 0.000 0.000 0.247 1261 G HA3 -0.396 3.564 3.960 0.000 0.000 0.247 1261 G C -0.720 173.949 174.900 -0.384 0.000 1.106 1261 G CA 2.004 46.965 45.100 -0.232 0.000 0.754 1261 G HN 0.233 nan 8.290 nan 0.000 0.899 1262 P HA 0.010 nan 4.420 nan 0.000 0.231 1262 P C 0.672 177.835 177.300 -0.227 0.000 1.154 1262 P CA 1.625 64.634 63.100 -0.152 0.000 0.762 1262 P CB -0.291 31.377 31.700 -0.054 0.000 0.790 1263 A N -1.991 120.544 122.820 -0.475 0.000 2.503 1263 A HA 0.159 4.479 4.320 0.000 0.000 0.263 1263 A C 1.288 178.451 177.584 -0.701 0.000 1.258 1263 A CA -0.172 51.557 52.037 -0.513 0.000 0.936 1263 A CB -0.848 17.882 19.000 -0.449 0.000 1.070 1263 A HN 0.198 nan 8.150 nan 0.000 0.522 1264 H N -0.487 118.269 119.070 -0.522 0.000 2.544 1264 H HA 0.180 4.737 4.556 0.000 0.000 0.269 1264 H C 1.795 176.973 175.328 -0.251 0.000 0.970 1264 H CA -0.052 55.722 56.048 -0.456 0.000 1.219 1264 H CB 0.478 29.993 29.762 -0.412 0.000 1.421 1264 H HN 0.525 nan 8.280 nan 0.000 0.555 1265 G N -0.384 108.361 108.800 -0.092 0.000 2.744 1265 G HA2 0.079 4.039 3.960 0.000 0.000 0.257 1265 G HA3 0.079 4.039 3.960 0.000 0.000 0.257 1265 G C 1.162 176.028 174.900 -0.056 0.000 1.244 1265 G CA 0.114 45.175 45.100 -0.064 0.000 0.916 1265 G HN 0.393 nan 8.290 nan 0.000 0.564 1266 G N -0.757 108.017 108.800 -0.043 0.000 2.599 1266 G HA2 0.260 4.220 3.960 0.000 0.000 0.210 1266 G HA3 0.260 4.220 3.960 0.000 0.000 0.210 1266 G C 1.865 176.742 174.900 -0.038 0.000 1.177 1266 G CA 1.232 46.311 45.100 -0.035 0.000 0.835 1266 G HN 0.994 nan 8.290 nan 0.000 0.575 1267 A N 0.944 123.740 122.820 -0.041 0.000 2.172 1267 A HA 0.034 4.354 4.320 0.000 0.000 0.216 1267 A C 1.987 179.532 177.584 -0.066 0.000 1.154 1267 A CA 1.632 53.640 52.037 -0.049 0.000 0.701 1267 A CB -0.474 18.498 19.000 -0.046 0.000 0.789 1267 A HN 0.432 nan 8.150 nan 0.000 0.465 1268 N N -0.094 118.568 118.700 -0.063 0.000 2.216 1268 N HA -0.075 4.665 4.740 0.000 0.000 0.183 1268 N C 1.253 176.733 175.510 -0.050 0.000 1.017 1268 N CA 1.502 54.513 53.050 -0.066 0.000 0.861 1268 N CB -0.104 38.339 38.487 -0.073 0.000 0.986 1268 N HN 0.585 nan 8.380 nan 0.000 0.428 1269 E N -0.277 119.898 120.200 -0.041 0.000 2.474 1269 E HA 0.237 4.587 4.350 0.000 0.000 0.195 1269 E C 1.379 177.959 176.600 -0.033 0.000 1.039 1269 E CA 0.056 56.442 56.400 -0.023 0.000 0.881 1269 E CB 0.321 30.018 29.700 -0.006 0.000 0.970 1269 E HN 0.326 nan 8.360 nan 0.000 0.486 1270 A N 0.899 123.691 122.820 -0.047 0.000 2.016 1270 A HA 0.129 4.449 4.320 0.000 0.000 0.217 1270 A C 2.199 179.731 177.584 -0.086 0.000 1.162 1270 A CA 1.394 53.397 52.037 -0.057 0.000 0.662 1270 A CB -0.175 18.795 19.000 -0.050 0.000 0.812 1270 A HN 0.287 nan 8.150 nan 0.000 0.450 1271 A N -0.702 122.066 122.820 -0.086 0.000 1.956 1271 A HA 0.306 4.626 4.320 0.000 0.000 0.212 1271 A C 1.913 179.460 177.584 -0.063 0.000 1.188 1271 A CA 0.573 52.550 52.037 -0.100 0.000 0.675 1271 A CB -0.371 18.557 19.000 -0.120 0.000 0.845 1271 A HN 0.361 nan 8.150 nan 0.000 0.455 1272 L N -0.431 120.772 121.223 -0.034 0.000 2.353 1272 L HA -0.147 4.193 4.340 0.000 0.000 0.220 1272 L C 2.408 179.269 176.870 -0.015 0.000 1.133 1272 L CA 1.318 56.159 54.840 0.002 0.000 0.798 1272 L CB -0.244 41.827 42.059 0.019 0.000 0.922 1272 L HN 0.357 nan 8.230 nan 0.000 0.445 1273 K N 0.552 120.927 120.400 -0.042 0.000 2.002 1273 K HA -0.167 4.153 4.320 0.000 0.000 0.209 1273 K C 2.063 178.621 176.600 -0.070 0.000 1.048 1273 K CA 1.765 58.022 56.287 -0.051 0.000 0.930 1273 K CB -0.092 32.369 32.500 -0.066 0.000 0.714 1273 K HN 0.114 nan 8.250 nan 0.000 0.438 1274 M N 0.011 119.541 119.600 -0.116 0.000 2.200 1274 M HA -0.078 4.403 4.480 0.000 0.000 0.265 1274 M C 2.104 178.369 176.300 -0.058 0.000 1.066 1274 M CA 1.103 56.321 55.300 -0.137 0.000 1.127 1274 M CB -0.178 32.255 32.600 -0.278 0.000 1.379 1274 M HN 0.169 nan 8.290 nan 0.000 0.420 1275 L N 0.066 121.278 121.223 -0.017 0.000 2.079 1275 L HA -0.249 4.091 4.340 0.000 0.000 0.210 1275 L C 2.307 179.195 176.870 0.030 0.000 1.081 1275 L CA 1.529 56.394 54.840 0.041 0.000 0.752 1275 L CB -0.177 41.935 42.059 0.088 0.000 0.896 1275 L HN 0.322 nan 8.230 nan 0.000 0.433 1276 E N 0.678 120.881 120.200 0.005 0.000 2.013 1276 E HA -0.242 4.108 4.350 0.000 0.000 0.194 1276 E C 1.754 178.341 176.600 -0.021 0.000 0.973 1276 E CA 1.363 57.760 56.400 -0.005 0.000 0.842 1276 E CB -0.317 29.371 29.700 -0.021 0.000 0.801 1276 E HN 0.450 nan 8.360 nan 0.000 0.476 1277 E N 0.449 120.627 120.200 -0.036 0.000 2.492 1277 E HA -0.141 4.209 4.350 0.000 0.000 0.204 1277 E C -0.035 176.517 176.600 -0.079 0.000 1.073 1277 E CA 0.460 56.832 56.400 -0.046 0.000 0.887 1277 E CB -0.275 29.401 29.700 -0.039 0.000 0.813 1277 E HN 0.164 nan 8.360 nan 0.000 0.562 1278 I N 0.758 121.267 120.570 -0.102 0.000 2.608 1278 I HA 0.200 4.370 4.170 0.000 0.000 0.295 1278 I C -0.647 175.404 176.117 -0.110 0.000 1.049 1278 I CA -1.011 60.178 61.300 -0.186 0.000 1.063 1278 I CB 1.876 39.629 38.000 -0.412 0.000 1.248 1278 I HN -0.099 nan 8.210 nan 0.000 0.424 1279 S N 3.865 119.506 115.700 -0.098 0.000 2.542 1279 S HA 0.623 5.093 4.470 0.000 0.000 0.245 1279 S C -0.825 173.772 174.600 -0.005 0.000 1.325 1279 S CA -0.206 57.977 58.200 -0.029 0.000 1.176 1279 S CB 0.216 63.410 63.200 -0.010 0.000 1.045 1279 S HN 0.720 nan 8.310 nan 0.000 0.481 1280 S N 3.159 118.876 115.700 0.029 0.000 2.586 1280 S HA 0.179 4.649 4.470 0.000 0.000 0.296 1280 S C 0.726 175.378 174.600 0.088 0.000 1.120 1280 S CA -0.216 58.025 58.200 0.069 0.000 0.927 1280 S CB 0.609 63.873 63.200 0.107 0.000 1.114 1280 S HN 1.103 nan 8.310 nan 0.000 0.453 1281 V N 2.475 122.429 119.914 0.067 0.000 2.828 1281 V HA 0.143 4.263 4.120 0.000 0.000 0.260 1281 V C 1.233 177.353 176.094 0.042 0.000 1.101 1281 V CA 1.428 63.763 62.300 0.058 0.000 1.123 1281 V CB -0.791 31.062 31.823 0.050 0.000 0.704 1281 V HN 0.571 nan 8.190 nan 0.000 0.493 1282 K N -0.857 119.571 120.400 0.046 0.000 2.576 1282 K HA 0.304 4.624 4.320 0.000 0.000 0.209 1282 K C 1.023 177.602 176.600 -0.036 0.000 1.049 1282 K CA 0.047 56.332 56.287 -0.004 0.000 1.140 1282 K CB -0.175 32.333 32.500 0.013 0.000 0.871 1282 K HN 0.632 nan 8.250 nan 0.000 0.479 1283 H N -0.958 118.075 119.070 -0.062 0.000 2.074 1283 H HA 0.284 4.840 4.556 0.000 0.000 0.198 1283 H C 1.388 176.728 175.328 0.019 0.000 0.938 1283 H CA 0.696 56.727 56.048 -0.028 0.000 1.125 1283 H CB 0.456 30.239 29.762 0.035 0.000 1.195 1283 H HN -0.000 nan 8.280 nan 0.000 0.430 1284 I N 2.533 123.261 120.570 0.263 0.000 2.130 1284 I HA -0.050 4.120 4.170 0.000 0.000 0.234 1284 I C -0.746 175.426 176.117 0.092 0.000 1.067 1284 I CA 0.567 61.973 61.300 0.176 0.000 1.339 1284 I CB -1.375 36.694 38.000 0.115 0.000 1.073 1284 I HN 0.201 nan 8.210 nan 0.000 0.405 1285 P HA -0.057 nan 4.420 nan 0.000 0.269 1285 P C -0.251 177.038 177.300 -0.019 0.000 1.461 1285 P CA 0.952 64.073 63.100 0.035 0.000 0.809 1285 P CB -0.408 31.318 31.700 0.044 0.000 1.503 1286 E N 1.135 121.274 120.200 -0.101 0.000 2.580 1286 E HA 0.193 4.543 4.350 0.000 0.000 0.248 1286 E C -0.257 175.960 176.600 -0.639 0.000 1.018 1286 E CA -0.905 55.322 56.400 -0.289 0.000 0.775 1286 E CB 0.191 29.657 29.700 -0.390 0.000 1.378 1286 E HN 0.029 nan 8.360 nan 0.000 0.401 1287 F N 2.378 122.372 119.950 0.075 0.000 3.079 1287 F HA -0.336 4.191 4.527 0.000 0.000 0.274 1287 F C -0.680 175.210 175.800 0.149 0.000 0.940 1287 F CA 0.969 59.009 58.000 0.066 0.000 0.932 1287 F CB -2.561 36.442 39.000 0.004 0.000 0.891 1287 F HN 0.497 nan 8.300 nan 0.000 0.722 1288 F N -0.647 119.283 119.950 -0.034 0.000 1.835 1288 F HA 0.224 4.751 4.527 0.000 0.000 0.231 1288 F C 2.351 178.158 175.800 0.012 0.000 1.216 1288 F CA -0.074 57.920 58.000 -0.011 0.000 1.310 1288 F CB -0.120 38.819 39.000 -0.102 0.000 1.827 1288 F HN -0.042 nan 8.300 nan 0.000 0.352 1289 R N 0.918 121.467 120.500 0.081 0.000 2.153 1289 R HA -0.022 4.318 4.340 0.000 0.000 0.218 1289 R C 2.029 178.347 176.300 0.029 0.000 1.072 1289 R CA 0.587 56.670 56.100 -0.027 0.000 0.990 1289 R CB 0.056 30.346 30.300 -0.017 0.000 0.889 1289 R HN 0.176 nan 8.270 nan 0.000 0.452 1290 R N 0.475 121.022 120.500 0.080 0.000 2.070 1290 R HA -0.070 4.270 4.340 0.000 0.000 0.232 1290 R C 2.152 178.471 176.300 0.031 0.000 1.138 1290 R CA 1.671 57.832 56.100 0.101 0.000 0.936 1290 R CB -1.033 29.332 30.300 0.108 0.000 0.839 1290 R HN 0.236 nan 8.270 nan 0.000 0.429 1291 A N 1.181 124.032 122.820 0.051 0.000 2.019 1291 A HA -0.109 4.212 4.320 0.000 0.000 0.219 1291 A C 1.256 178.837 177.584 -0.005 0.000 1.164 1291 A CA 0.822 52.869 52.037 0.017 0.000 0.644 1291 A CB -0.169 18.889 19.000 0.097 0.000 0.805 1291 A HN 0.048 nan 8.150 nan 0.000 0.449 1292 K N 2.169 122.572 120.400 0.005 0.000 2.187 1292 K HA 0.201 4.521 4.320 0.000 0.000 0.242 1292 K C -1.588 174.951 176.600 -0.103 0.000 1.179 1292 K CA 0.020 56.287 56.287 -0.032 0.000 1.097 1292 K CB -0.401 32.071 32.500 -0.045 0.000 1.634 1292 K HN 0.519 nan 8.250 nan 0.000 0.335 1293 D N 1.378 121.711 120.400 -0.112 0.000 2.389 1293 D HA 0.238 4.878 4.640 0.000 0.000 0.256 1293 D C 0.007 176.258 176.300 -0.081 0.000 1.239 1293 D CA -0.772 53.115 54.000 -0.188 0.000 0.925 1293 D CB 1.608 42.272 40.800 -0.228 0.000 1.145 1293 D HN -0.053 nan 8.370 nan 0.000 0.542 1294 K N 1.482 121.832 120.400 -0.083 0.000 2.218 1294 K HA 0.221 4.541 4.320 0.000 0.000 0.214 1294 K C 0.960 177.551 176.600 -0.015 0.000 1.033 1294 K CA 0.606 56.875 56.287 -0.030 0.000 0.949 1294 K CB -0.021 32.464 32.500 -0.025 0.000 0.993 1294 K HN 0.119 nan 8.250 nan 0.000 0.464 1295 N N 0.318 118.998 118.700 -0.033 0.000 2.349 1295 N HA -0.003 4.737 4.740 0.000 0.000 0.202 1295 N C 0.974 176.484 175.510 -0.000 0.000 1.041 1295 N CA 1.403 54.445 53.050 -0.013 0.000 0.970 1295 N CB -0.272 38.201 38.487 -0.023 0.000 1.173 1295 N HN 0.009 nan 8.380 nan 0.000 0.493 1296 D N -0.070 120.316 120.400 -0.024 0.000 2.255 1296 D HA 0.128 4.769 4.640 0.000 0.000 0.224 1296 D C 0.195 176.465 176.300 -0.049 0.000 0.997 1296 D CA 0.916 54.918 54.000 0.003 0.000 0.906 1296 D CB -0.434 40.361 40.800 -0.008 0.000 1.047 1296 D HN 0.002 nan 8.370 nan 0.000 0.458 1297 S N -0.605 114.998 115.700 -0.162 0.000 3.420 1297 S HA -0.233 4.237 4.470 0.000 0.000 0.367 1297 S C 0.113 174.305 174.600 -0.679 0.000 1.063 1297 S CA 0.444 58.418 58.200 -0.377 0.000 1.073 1297 S CB -1.100 61.811 63.200 -0.481 0.000 0.905 1297 S HN 0.213 nan 8.310 nan 0.000 0.485 1298 F N -0.720 119.288 119.950 0.096 0.000 1.835 1298 F HA 0.318 4.845 4.527 0.000 0.000 0.231 1298 F C 1.991 177.887 175.800 0.161 0.000 1.216 1298 F CA 0.078 58.173 58.000 0.158 0.000 1.310 1298 F CB -0.857 38.177 39.000 0.056 0.000 1.827 1298 F HN 0.089 nan 8.300 nan 0.000 0.352 1299 R N 0.888 121.544 120.500 0.261 0.000 2.103 1299 R HA -0.190 4.150 4.340 0.000 0.000 0.242 1299 R C 2.080 178.447 176.300 0.112 0.000 1.142 1299 R CA 1.935 58.104 56.100 0.115 0.000 0.960 1299 R CB -0.640 29.652 30.300 -0.013 0.000 0.858 1299 R HN 0.336 nan 8.270 nan 0.000 0.439 1300 L N 0.513 121.806 121.223 0.117 0.000 2.131 1300 L HA -0.112 4.229 4.340 0.000 0.000 0.210 1300 L C 1.970 178.938 176.870 0.164 0.000 1.092 1300 L CA 1.638 56.557 54.840 0.133 0.000 0.759 1300 L CB -0.160 41.955 42.059 0.093 0.000 0.903 1300 L HN 0.250 nan 8.230 nan 0.000 0.435 1301 M N -0.884 118.822 119.600 0.177 0.000 2.394 1301 M HA 0.192 4.672 4.480 0.000 0.000 0.264 1301 M C 1.564 177.872 176.300 0.014 0.000 1.073 1301 M CA 1.086 56.507 55.300 0.200 0.000 1.111 1301 M CB -1.070 31.771 32.600 0.401 0.000 1.401 1301 M HN 0.505 nan 8.290 nan 0.000 0.448 1302 G N 0.551 109.327 108.800 -0.040 0.000 2.143 1302 G HA2 -0.188 3.772 3.960 0.000 0.000 0.175 1302 G HA3 -0.188 3.772 3.960 0.000 0.000 0.175 1302 G C -0.458 174.160 174.900 -0.470 0.000 1.004 1302 G CA -0.678 44.307 45.100 -0.190 0.000 0.671 1302 G HN 0.331 nan 8.290 nan 0.000 0.512 1303 F N 1.181 121.219 119.950 0.147 0.000 2.382 1303 F HA 0.638 5.165 4.527 0.000 0.000 0.361 1303 F C 0.945 176.671 175.800 -0.123 0.000 1.109 1303 F CA -0.097 57.928 58.000 0.042 0.000 1.031 1303 F CB 1.485 40.627 39.000 0.236 0.000 1.234 1303 F HN 0.964 nan 8.300 nan 0.000 0.445 1304 G N 2.020 110.653 108.800 -0.277 0.000 2.757 1304 G HA2 0.037 3.997 3.960 0.000 0.000 0.638 1304 G HA3 0.037 3.997 3.960 0.000 0.000 0.638 1304 G C -1.628 173.122 174.900 -0.251 0.000 1.344 1304 G CA -0.764 43.950 45.100 -0.643 0.000 0.855 1304 G HN 1.063 nan 8.290 nan 0.000 0.537 1305 H N -1.289 117.649 119.070 -0.221 0.000 3.120 1305 H HA 0.440 4.997 4.556 0.000 0.000 0.314 1305 H C 1.243 176.622 175.328 0.086 0.000 1.151 1305 H CA 0.251 56.336 56.048 0.063 0.000 1.404 1305 H CB 0.737 30.663 29.762 0.272 0.000 2.031 1305 H HN 0.851 nan 8.280 nan 0.000 0.513 1306 R N 2.449 123.072 120.500 0.205 0.000 2.189 1306 R HA -0.039 4.301 4.340 0.000 0.000 0.223 1306 R C 0.477 176.863 176.300 0.144 0.000 1.092 1306 R CA 1.974 58.161 56.100 0.145 0.000 0.989 1306 R CB -0.687 29.645 30.300 0.053 0.000 0.876 1306 R HN 0.292 nan 8.270 nan 0.000 0.457 1307 V N -0.265 119.785 119.914 0.226 0.000 2.346 1307 V HA -0.041 4.079 4.120 0.000 0.000 0.244 1307 V C 0.372 176.223 176.094 -0.406 0.000 1.037 1307 V CA 0.987 63.127 62.300 -0.266 0.000 1.029 1307 V CB -0.512 30.893 31.823 -0.698 0.000 0.663 1307 V HN 0.200 nan 8.190 nan 0.000 0.454 1308 Y N 0.186 120.531 120.300 0.074 0.000 2.323 1308 Y HA 0.339 4.889 4.550 0.000 0.000 0.331 1308 Y C 1.216 177.168 175.900 0.088 0.000 1.092 1308 Y CA -0.712 57.378 58.100 -0.017 0.000 1.150 1308 Y CB 1.030 39.387 38.460 -0.171 0.000 1.200 1308 Y HN -0.113 nan 8.280 nan 0.000 0.472 1309 K N 1.549 122.026 120.400 0.128 0.000 1.991 1309 K HA -0.137 4.183 4.320 0.000 0.000 0.207 1309 K C 0.692 177.370 176.600 0.130 0.000 1.045 1309 K CA 1.781 58.140 56.287 0.120 0.000 0.937 1309 K CB 0.106 32.639 32.500 0.055 0.000 0.720 1309 K HN 0.726 nan 8.250 nan 0.000 0.438 1310 N N -1.044 117.640 118.700 -0.026 0.000 2.499 1310 N HA 0.033 4.773 4.740 0.000 0.000 0.182 1310 N C -0.052 175.224 175.510 -0.390 0.000 1.034 1310 N CA 0.574 53.605 53.050 -0.032 0.000 0.882 1310 N CB 0.478 39.046 38.487 0.136 0.000 1.125 1310 N HN 0.236 nan 8.380 nan 0.000 0.436 1311 Y N -1.439 118.415 120.300 -0.742 0.000 2.670 1311 Y HA 0.517 5.067 4.550 0.000 0.000 0.334 1311 Y C -1.608 173.818 175.900 -0.790 0.000 1.185 1311 Y CA -1.542 55.952 58.100 -1.009 0.000 1.053 1311 Y CB 0.602 38.790 38.460 -0.453 0.000 1.298 1311 Y HN -0.313 nan 8.280 nan 0.000 0.459 1312 D N 3.522 123.617 120.400 -0.508 0.000 2.359 1312 D HA 0.303 4.944 4.640 0.000 0.000 0.230 1312 D C -1.744 174.324 176.300 -0.386 0.000 1.118 1312 D CA -2.527 51.162 54.000 -0.518 0.000 0.844 1312 D CB 1.729 42.532 40.800 0.006 0.000 1.059 1312 D HN 0.430 nan 8.370 nan 0.000 0.493 1313 P HA -0.154 nan 4.420 nan 0.000 0.218 1313 P C 1.066 178.279 177.300 -0.145 0.000 1.148 1313 P CA 0.842 63.799 63.100 -0.238 0.000 0.822 1313 P CB 0.508 32.010 31.700 -0.330 0.000 0.784 1314 R N 0.075 120.452 120.500 -0.206 0.000 2.115 1314 R HA 0.028 4.368 4.340 0.000 0.000 0.230 1314 R C 2.526 178.785 176.300 -0.069 0.000 1.111 1314 R CA 1.259 57.278 56.100 -0.136 0.000 0.976 1314 R CB -0.932 29.251 30.300 -0.196 0.000 0.870 1314 R HN 0.140 nan 8.270 nan 0.000 0.445 1315 A N 0.581 123.397 122.820 -0.007 0.000 2.070 1315 A HA -0.129 4.191 4.320 0.000 0.000 0.220 1315 A C 1.999 179.567 177.584 -0.026 0.000 1.159 1315 A CA 1.624 53.729 52.037 0.114 0.000 0.656 1315 A CB -0.637 18.550 19.000 0.312 0.000 0.800 1315 A HN 0.241 nan 8.150 nan 0.000 0.453 1316 T N -0.280 114.246 114.554 -0.047 0.000 2.622 1316 T HA -0.156 4.194 4.350 0.000 0.000 0.266 1316 T C 1.845 176.471 174.700 -0.124 0.000 1.047 1316 T CA 1.880 63.920 62.100 -0.101 0.000 1.159 1316 T CB -0.458 68.366 68.868 -0.074 0.000 0.863 1316 T HN 0.175 nan 8.240 nan 0.000 0.422 1317 V N 0.951 120.815 119.914 -0.083 0.000 2.548 1317 V HA -0.079 4.041 4.120 0.000 0.000 0.249 1317 V C 2.387 178.437 176.094 -0.074 0.000 1.055 1317 V CA 1.382 63.641 62.300 -0.068 0.000 1.065 1317 V CB -0.552 31.247 31.823 -0.039 0.000 0.681 1317 V HN 0.369 nan 8.190 nan 0.000 0.462 1318 M N -0.078 119.479 119.600 -0.071 0.000 2.213 1318 M HA -0.118 4.362 4.480 0.000 0.000 0.263 1318 M C 2.150 178.371 176.300 -0.131 0.000 1.062 1318 M CA 1.699 56.980 55.300 -0.033 0.000 1.105 1318 M CB -0.492 32.146 32.600 0.063 0.000 1.385 1318 M HN 0.151 nan 8.290 nan 0.000 0.417 1319 R N -0.325 119.935 120.500 -0.399 0.000 2.090 1319 R HA -0.116 4.224 4.340 0.000 0.000 0.228 1319 R C 1.775 177.923 176.300 -0.254 0.000 1.110 1319 R CA 1.666 57.359 56.100 -0.677 0.000 0.973 1319 R CB -0.102 29.626 30.300 -0.954 0.000 0.869 1319 R HN 0.504 nan 8.270 nan 0.000 0.440 1320 E N -0.699 119.409 120.200 -0.153 0.000 2.047 1320 E HA -0.112 4.238 4.350 0.000 0.000 0.191 1320 E C 1.790 178.406 176.600 0.027 0.000 0.987 1320 E CA 1.748 58.123 56.400 -0.042 0.000 0.799 1320 E CB -0.056 29.622 29.700 -0.037 0.000 0.752 1320 E HN 0.293 nan 8.360 nan 0.000 0.449 1321 T N 0.653 115.205 114.554 -0.004 0.000 2.833 1321 T HA -0.188 4.163 4.350 0.000 0.000 0.269 1321 T C 1.989 176.702 174.700 0.023 0.000 1.054 1321 T CA 0.822 62.928 62.100 0.011 0.000 1.135 1321 T CB -0.454 68.420 68.868 0.009 0.000 0.869 1321 T HN 0.287 nan 8.240 nan 0.000 0.466 1322 C N 0.996 120.315 119.300 0.032 0.000 2.435 1322 C HA -0.066 4.395 4.460 0.000 0.000 0.279 1322 C C 2.623 177.662 174.990 0.082 0.000 1.321 1322 C CA 0.820 59.873 59.018 0.058 0.000 1.752 1322 C CB -1.166 26.630 27.740 0.095 0.000 1.959 1322 C HN 0.700 nan 8.230 nan 0.000 0.500 1323 H N 1.116 120.177 119.070 -0.015 0.000 2.326 1323 H HA -0.055 4.501 4.556 0.000 0.000 0.301 1323 H C 2.043 177.366 175.328 -0.009 0.000 1.081 1323 H CA 2.316 58.358 56.048 -0.010 0.000 1.334 1323 H CB -0.387 29.362 29.762 -0.022 0.000 1.385 1323 H HN 0.577 nan 8.280 nan 0.000 0.504 1324 E N -0.312 119.800 120.200 -0.146 0.000 2.077 1324 E HA -0.125 4.225 4.350 0.000 0.000 0.193 1324 E C 2.427 178.950 176.600 -0.127 0.000 0.989 1324 E CA 1.374 57.656 56.400 -0.196 0.000 0.800 1324 E CB 0.011 29.660 29.700 -0.087 0.000 0.746 1324 E HN 0.284 nan 8.360 nan 0.000 0.452 1325 V N 1.067 120.943 119.914 -0.063 0.000 2.323 1325 V HA -0.216 3.904 4.120 0.000 0.000 0.244 1325 V C 2.202 178.269 176.094 -0.044 0.000 1.041 1325 V CA 1.236 63.511 62.300 -0.042 0.000 1.025 1325 V CB -0.330 31.484 31.823 -0.014 0.000 0.656 1325 V HN 0.166 nan 8.190 nan 0.000 0.451 1326 L N 0.169 121.376 121.223 -0.027 0.000 2.079 1326 L HA -0.179 4.162 4.340 0.000 0.000 0.210 1326 L C 2.382 179.232 176.870 -0.033 0.000 1.081 1326 L CA 1.933 56.767 54.840 -0.009 0.000 0.752 1326 L CB -0.855 41.227 42.059 0.037 0.000 0.896 1326 L HN 0.331 nan 8.230 nan 0.000 0.433 1327 K N -0.600 119.744 120.400 -0.092 0.000 2.031 1327 K HA -0.210 4.110 4.320 0.000 0.000 0.205 1327 K C 2.116 178.664 176.600 -0.087 0.000 1.049 1327 K CA 1.265 57.482 56.287 -0.116 0.000 0.939 1327 K CB 0.102 32.445 32.500 -0.261 0.000 0.717 1327 K HN 0.145 nan 8.250 nan 0.000 0.438 1328 E N 1.139 121.284 120.200 -0.092 0.000 2.015 1328 E HA -0.124 4.226 4.350 0.000 0.000 0.191 1328 E C 1.953 178.519 176.600 -0.057 0.000 0.991 1328 E CA 1.423 57.780 56.400 -0.071 0.000 0.802 1328 E CB -0.311 29.347 29.700 -0.071 0.000 0.759 1328 E HN 0.338 nan 8.360 nan 0.000 0.447 1329 L N -0.158 121.034 121.223 -0.052 0.000 2.275 1329 L HA -0.022 4.318 4.340 0.000 0.000 0.215 1329 L C 2.210 179.059 176.870 -0.036 0.000 1.119 1329 L CA 0.645 55.457 54.840 -0.047 0.000 0.790 1329 L CB -1.079 40.954 42.059 -0.044 0.000 0.919 1329 L HN 0.458 nan 8.230 nan 0.000 0.443 1330 G N 0.836 109.618 108.800 -0.029 0.000 3.344 1330 G HA2 -0.502 3.459 3.960 0.000 0.000 0.377 1330 G HA3 -0.502 3.459 3.960 0.000 0.000 0.377 1330 G C 1.236 176.128 174.900 -0.014 0.000 1.996 1330 G CA 1.861 46.950 45.100 -0.018 0.000 2.245 1330 G HN 0.351 nan 8.290 nan 0.000 0.971 1331 T N 0.449 114.992 114.554 -0.018 0.000 3.077 1331 T HA 0.122 4.472 4.350 0.000 0.000 0.269 1331 T C 1.197 175.888 174.700 -0.016 0.000 1.146 1331 T CA 1.842 63.933 62.100 -0.015 0.000 1.091 1331 T CB -0.072 68.785 68.868 -0.019 0.000 0.892 1331 T HN 0.468 nan 8.240 nan 0.000 0.533 1332 K N 0.135 120.524 120.400 -0.020 0.000 2.860 1332 K HA 0.326 4.646 4.320 0.000 0.000 0.204 1332 K C 0.098 176.690 176.600 -0.014 0.000 1.127 1332 K CA -0.028 56.247 56.287 -0.019 0.000 1.050 1332 K CB 0.907 33.385 32.500 -0.036 0.000 0.745 1332 K HN 0.188 nan 8.250 nan 0.000 0.459 1333 D N -0.851 119.544 120.400 -0.007 0.000 2.712 1333 D HA -0.040 4.600 4.640 0.000 0.000 0.181 1333 D C 0.496 176.802 176.300 0.009 0.000 1.434 1333 D CA 0.104 54.104 54.000 -0.000 0.000 1.446 1333 D CB 0.145 40.941 40.800 -0.006 0.000 1.609 1333 D HN -0.066 nan 8.370 nan 0.000 0.340 1334 D N 0.622 121.028 120.400 0.010 0.000 2.347 1334 D HA -0.163 4.477 4.640 0.000 0.000 0.208 1334 D C 2.014 178.327 176.300 0.022 0.000 0.994 1334 D CA 1.350 55.361 54.000 0.018 0.000 0.924 1334 D CB -0.207 40.602 40.800 0.015 0.000 0.892 1334 D HN 0.578 nan 8.370 nan 0.000 0.471 1335 L N -2.459 118.775 121.223 0.018 0.000 2.307 1335 L HA 0.172 4.512 4.340 0.000 0.000 0.211 1335 L C 1.835 178.721 176.870 0.025 0.000 1.099 1335 L CA 0.405 55.257 54.840 0.021 0.000 0.816 1335 L CB -0.309 41.760 42.059 0.016 0.000 0.952 1335 L HN -0.042 nan 8.230 nan 0.000 0.455 1336 L N 1.066 122.304 121.223 0.024 0.000 2.509 1336 L HA 0.017 4.357 4.340 0.000 0.000 0.222 1336 L C 2.442 179.331 176.870 0.032 0.000 1.123 1336 L CA 1.082 55.937 54.840 0.026 0.000 0.856 1336 L CB -0.868 41.203 42.059 0.020 0.000 0.985 1336 L HN 0.426 nan 8.230 nan 0.000 0.456 1337 E N 0.707 120.929 120.200 0.037 0.000 2.401 1337 E HA -0.226 4.124 4.350 0.000 0.000 0.204 1337 E C 1.706 178.346 176.600 0.067 0.000 1.036 1337 E CA 1.597 58.028 56.400 0.051 0.000 0.856 1337 E CB -0.704 29.026 29.700 0.050 0.000 0.770 1337 E HN 0.528 nan 8.360 nan 0.000 0.527 1338 V N -1.682 118.271 119.914 0.066 0.000 3.284 1338 V HA -0.018 4.102 4.120 0.000 0.000 0.273 1338 V C 2.219 178.386 176.094 0.122 0.000 1.178 1338 V CA 1.442 63.793 62.300 0.084 0.000 1.177 1338 V CB -1.088 30.781 31.823 0.077 0.000 0.793 1338 V HN 0.306 nan 8.190 nan 0.000 0.536 1339 A N 0.037 122.927 122.820 0.116 0.000 2.014 1339 A HA 0.022 4.342 4.320 0.000 0.000 0.218 1339 A C 2.174 179.935 177.584 0.294 0.000 1.163 1339 A CA 1.820 53.961 52.037 0.173 0.000 0.652 1339 A CB -0.423 18.571 19.000 -0.011 0.000 0.808 1339 A HN 0.560 nan 8.150 nan 0.000 0.449 1340 M N -1.131 118.587 119.600 0.197 0.000 2.229 1340 M HA -0.131 4.349 4.480 0.000 0.000 0.264 1340 M C 2.084 178.473 176.300 0.149 0.000 1.063 1340 M CA 1.750 57.160 55.300 0.183 0.000 1.114 1340 M CB -0.098 32.578 32.600 0.126 0.000 1.387 1340 M HN 0.502 nan 8.290 nan 0.000 0.420 1341 E N 0.899 121.175 120.200 0.127 0.000 2.152 1341 E HA -0.083 4.268 4.350 0.000 0.000 0.192 1341 E C 1.713 178.355 176.600 0.070 0.000 0.983 1341 E CA 1.138 57.587 56.400 0.080 0.000 0.818 1341 E CB -0.242 29.499 29.700 0.067 0.000 0.758 1341 E HN 0.473 nan 8.360 nan 0.000 0.467 1342 L N 0.279 121.604 121.223 0.170 0.000 2.109 1342 L HA -0.045 4.296 4.340 0.000 0.000 0.207 1342 L C 2.642 179.580 176.870 0.113 0.000 1.086 1342 L CA 1.476 56.440 54.840 0.207 0.000 0.760 1342 L CB -0.366 42.012 42.059 0.532 0.000 0.910 1342 L HN 0.251 nan 8.230 nan 0.000 0.437 1343 E N 0.559 120.887 120.200 0.212 0.000 2.072 1343 E HA -0.242 4.108 4.350 0.000 0.000 0.190 1343 E C 1.928 178.536 176.600 0.014 0.000 0.982 1343 E CA 1.138 57.589 56.400 0.085 0.000 0.803 1343 E CB 0.067 29.941 29.700 0.290 0.000 0.755 1343 E HN 0.358 nan 8.360 nan 0.000 0.453 1344 N N 1.059 119.778 118.700 0.032 0.000 2.061 1344 N HA -0.198 4.542 4.740 0.000 0.000 0.193 1344 N C 1.840 177.300 175.510 -0.084 0.000 1.030 1344 N CA 1.816 54.864 53.050 -0.003 0.000 0.856 1344 N CB -0.317 38.177 38.487 0.012 0.000 1.023 1344 N HN 0.225 nan 8.380 nan 0.000 0.424 1345 I N 0.163 120.625 120.570 -0.181 0.000 2.179 1345 I HA -0.205 3.965 4.170 0.000 0.000 0.242 1345 I C 2.116 177.901 176.117 -0.554 0.000 1.088 1345 I CA 1.224 62.306 61.300 -0.362 0.000 1.357 1345 I CB -0.710 36.989 38.000 -0.502 0.000 1.051 1345 I HN 0.243 nan 8.210 nan 0.000 0.409 1346 A N 0.062 122.509 122.820 -0.623 0.000 2.178 1346 A HA -0.110 4.210 4.320 0.000 0.000 0.218 1346 A C 1.943 179.521 177.584 -0.011 0.000 1.157 1346 A CA 1.394 53.213 52.037 -0.364 0.000 0.689 1346 A CB -0.247 18.714 19.000 -0.065 0.000 0.787 1346 A HN 0.342 nan 8.150 nan 0.000 0.465 1347 L N -1.329 119.873 121.223 -0.036 0.000 2.515 1347 L HA 0.177 4.517 4.340 0.000 0.000 0.202 1347 L C 1.674 178.561 176.870 0.028 0.000 1.056 1347 L CA 1.070 55.930 54.840 0.033 0.000 0.847 1347 L CB -0.516 41.566 42.059 0.039 0.000 1.131 1347 L HN 0.307 nan 8.230 nan 0.000 0.484 1348 N N -0.905 117.794 118.700 -0.001 0.000 2.325 1348 N HA -0.026 4.714 4.740 0.000 0.000 0.182 1348 N C 0.101 175.624 175.510 0.021 0.000 1.088 1348 N CA 0.127 53.184 53.050 0.011 0.000 0.879 1348 N CB 0.852 39.343 38.487 0.006 0.000 0.983 1348 N HN 0.312 nan 8.380 nan 0.000 0.471 1349 D N 1.614 122.021 120.400 0.012 0.000 2.264 1349 D HA 0.118 4.758 4.640 0.000 0.000 0.250 1349 D C -1.743 174.645 176.300 0.147 0.000 1.113 1349 D CA -1.883 52.159 54.000 0.070 0.000 0.871 1349 D CB 2.418 43.241 40.800 0.038 0.000 1.167 1349 D HN -0.084 nan 8.370 nan 0.000 0.447 1350 P HA -0.153 nan 4.420 nan 0.000 0.215 1350 P C 1.159 178.537 177.300 0.130 0.000 1.153 1350 P CA 0.952 64.122 63.100 0.116 0.000 0.853 1350 P CB -0.023 31.736 31.700 0.098 0.000 0.788 1351 Y N -0.883 119.472 120.300 0.091 0.000 2.181 1351 Y HA -0.210 4.340 4.550 0.000 0.000 0.288 1351 Y C 1.939 177.794 175.900 -0.076 0.000 1.146 1351 Y CA 1.605 59.717 58.100 0.019 0.000 1.164 1351 Y CB -0.890 37.602 38.460 0.053 0.000 0.982 1351 Y HN -0.179 nan 8.280 nan 0.000 0.515 1352 F N -0.396 119.550 119.950 -0.006 0.000 2.325 1352 F HA -0.125 4.403 4.527 0.000 0.000 0.299 1352 F C 2.169 177.882 175.800 -0.145 0.000 1.090 1352 F CA 1.111 59.025 58.000 -0.143 0.000 1.392 1352 F CB -0.425 38.515 39.000 -0.099 0.000 1.053 1352 F HN 0.059 nan 8.300 nan 0.000 0.521 1353 I N -0.772 119.851 120.570 0.089 0.000 2.277 1353 I HA -0.177 3.993 4.170 0.000 0.000 0.243 1353 I C 2.598 178.694 176.117 -0.034 0.000 1.094 1353 I CA 0.956 62.282 61.300 0.044 0.000 1.393 1353 I CB -0.361 37.672 38.000 0.055 0.000 1.078 1353 I HN 0.040 nan 8.210 nan 0.000 0.417 1354 E N 1.658 121.802 120.200 -0.093 0.000 2.058 1354 E HA -0.247 4.103 4.350 0.000 0.000 0.194 1354 E C 1.764 178.243 176.600 -0.202 0.000 0.997 1354 E CA 1.580 57.897 56.400 -0.137 0.000 0.801 1354 E CB 0.082 29.683 29.700 -0.166 0.000 0.746 1354 E HN 0.219 nan 8.360 nan 0.000 0.450 1355 K N 0.629 120.815 120.400 -0.357 0.000 2.487 1355 K HA 0.031 4.351 4.320 0.000 0.000 0.192 1355 K C 0.046 176.485 176.600 -0.268 0.000 1.027 1355 K CA 0.052 56.103 56.287 -0.394 0.000 1.054 1355 K CB 0.205 32.284 32.500 -0.702 0.000 0.824 1355 K HN -0.013 nan 8.250 nan 0.000 0.510 1356 K N 0.412 120.722 120.400 -0.150 0.000 3.150 1356 K HA -0.193 4.128 4.320 0.000 0.000 0.267 1356 K C -0.758 175.782 176.600 -0.100 0.000 1.028 1356 K CA 0.537 56.819 56.287 -0.009 0.000 0.753 1356 K CB -2.237 30.309 32.500 0.076 0.000 1.288 1356 K HN 0.256 nan 8.250 nan 0.000 0.473 1357 L N 2.100 123.229 121.223 -0.157 0.000 2.583 1357 L HA 0.113 4.453 4.340 0.000 0.000 0.239 1357 L C 0.666 177.597 176.870 0.101 0.000 1.347 1357 L CA -0.874 53.859 54.840 -0.177 0.000 1.246 1357 L CB -0.777 41.014 42.059 -0.446 0.000 1.496 1357 L HN 0.133 nan 8.230 nan 0.000 0.413 1358 Y N -0.510 119.891 120.300 0.168 0.000 2.425 1358 Y HA 0.407 4.957 4.550 0.000 0.000 0.331 1358 Y C -2.381 173.604 175.900 0.142 0.000 1.157 1358 Y CA -4.154 54.044 58.100 0.164 0.000 1.372 1358 Y CB -0.588 37.962 38.460 0.150 0.000 1.253 1358 Y HN 0.127 nan 8.280 nan 0.000 0.536 1359 P HA -0.014 nan 4.420 nan 0.000 0.259 1359 P C -0.679 176.722 177.300 0.169 0.000 1.211 1359 P CA 0.232 63.231 63.100 -0.169 0.000 0.810 1359 P CB 0.083 31.471 31.700 -0.518 0.000 0.815 1360 N N 2.355 121.146 118.700 0.152 0.000 2.290 1360 N HA -0.030 4.710 4.740 0.000 0.000 0.269 1360 N C 1.081 176.725 175.510 0.224 0.000 1.295 1360 N CA -0.439 52.781 53.050 0.283 0.000 0.932 1360 N CB -0.531 38.120 38.487 0.272 0.000 1.128 1360 N HN 0.052 nan 8.380 nan 0.000 0.532 1361 V N -0.541 119.473 119.914 0.167 0.000 2.626 1361 V HA -0.166 3.954 4.120 0.000 0.000 0.252 1361 V C 0.838 176.978 176.094 0.077 0.000 1.067 1361 V CA 1.890 64.257 62.300 0.113 0.000 1.081 1361 V CB -0.875 30.888 31.823 -0.099 0.000 0.686 1361 V HN 0.540 nan 8.190 nan 0.000 0.468 1362 D N -0.674 119.760 120.400 0.056 0.000 2.269 1362 D HA -0.120 4.520 4.640 0.000 0.000 0.208 1362 D C 1.740 178.070 176.300 0.050 0.000 0.963 1362 D CA 0.979 55.017 54.000 0.063 0.000 0.864 1362 D CB -0.154 40.718 40.800 0.119 0.000 0.936 1362 D HN 0.564 nan 8.370 nan 0.000 0.505 1363 F N 0.909 120.733 119.950 -0.210 0.000 2.051 1363 F HA -0.246 4.281 4.527 0.000 0.000 0.296 1363 F C 1.964 177.547 175.800 -0.362 0.000 1.122 1363 F CA 1.515 59.265 58.000 -0.417 0.000 1.201 1363 F CB -0.690 37.883 39.000 -0.712 0.000 0.978 1363 F HN -0.058 nan 8.300 nan 0.000 0.472 1364 Y N -0.199 120.084 120.300 -0.029 0.000 2.242 1364 Y HA -0.165 4.385 4.550 0.000 0.000 0.291 1364 Y C 2.773 178.607 175.900 -0.110 0.000 1.137 1364 Y CA 1.211 59.242 58.100 -0.115 0.000 1.181 1364 Y CB -1.022 37.452 38.460 0.022 0.000 0.989 1364 Y HN -0.002 nan 8.280 nan 0.000 0.527 1365 S N 0.042 115.782 115.700 0.068 0.000 2.359 1365 S HA -0.207 4.263 4.470 0.000 0.000 0.224 1365 S C 2.417 176.945 174.600 -0.121 0.000 1.035 1365 S CA 1.330 59.561 58.200 0.052 0.000 1.018 1365 S CB -1.066 62.227 63.200 0.156 0.000 0.876 1365 S HN 0.678 nan 8.310 nan 0.000 0.448 1366 G N 1.621 110.319 108.800 -0.169 0.000 2.440 1366 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 1366 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 1366 G C 1.343 176.084 174.900 -0.265 0.000 1.154 1366 G CA 0.822 45.726 45.100 -0.327 0.000 0.767 1366 G HN 0.499 nan 8.290 nan 0.000 0.552 1367 I N 0.434 120.851 120.570 -0.255 0.000 2.226 1367 I HA -0.153 4.018 4.170 0.000 0.000 0.245 1367 I C 2.667 178.724 176.117 -0.101 0.000 1.100 1367 I CA 0.818 62.002 61.300 -0.193 0.000 1.374 1367 I CB -0.220 37.628 38.000 -0.253 0.000 1.057 1367 I HN 0.162 nan 8.210 nan 0.000 0.413 1368 I N 0.473 120.990 120.570 -0.089 0.000 2.113 1368 I HA -0.297 3.873 4.170 0.000 0.000 0.238 1368 I C 2.493 178.572 176.117 -0.064 0.000 1.070 1368 I CA 1.532 62.802 61.300 -0.049 0.000 1.332 1368 I CB -0.338 37.653 38.000 -0.016 0.000 1.044 1368 I HN 0.169 nan 8.210 nan 0.000 0.402 1369 L N 0.444 121.571 121.223 -0.160 0.000 2.042 1369 L HA -0.253 4.087 4.340 0.000 0.000 0.210 1369 L C 2.564 179.445 176.870 0.018 0.000 1.076 1369 L CA 1.584 56.324 54.840 -0.167 0.000 0.749 1369 L CB -0.632 41.060 42.059 -0.612 0.000 0.893 1369 L HN 0.208 nan 8.230 nan 0.000 0.432 1370 K N -0.102 120.323 120.400 0.042 0.000 2.097 1370 K HA -0.138 4.182 4.320 0.000 0.000 0.206 1370 K C 2.222 178.876 176.600 0.090 0.000 1.049 1370 K CA 1.337 57.736 56.287 0.185 0.000 0.933 1370 K CB -0.213 32.390 32.500 0.171 0.000 0.717 1370 K HN 0.302 nan 8.250 nan 0.000 0.442 1371 A N 0.982 123.822 122.820 0.034 0.000 1.929 1371 A HA -0.088 4.232 4.320 0.000 0.000 0.216 1371 A C 1.929 179.514 177.584 0.002 0.000 1.176 1371 A CA 1.157 53.202 52.037 0.013 0.000 0.628 1371 A CB -0.348 18.650 19.000 -0.004 0.000 0.816 1371 A HN 0.193 nan 8.150 nan 0.000 0.444 1372 M N -0.789 118.816 119.600 0.009 0.000 2.686 1372 M HA 0.116 4.596 4.480 0.000 0.000 0.246 1372 M C 1.180 177.474 176.300 -0.011 0.000 1.096 1372 M CA 0.803 56.089 55.300 -0.024 0.000 1.076 1372 M CB -0.054 32.560 32.600 0.025 0.000 1.504 1372 M HN 0.616 nan 8.290 nan 0.000 0.524 1373 G N 2.070 110.909 108.800 0.065 0.000 2.212 1373 G HA2 -0.232 3.728 3.960 0.000 0.000 0.255 1373 G HA3 -0.232 3.728 3.960 0.000 0.000 0.255 1373 G C -0.187 174.848 174.900 0.225 0.000 1.062 1373 G CA -0.331 44.839 45.100 0.118 0.000 0.815 1373 G HN 0.484 nan 8.290 nan 0.000 0.497 1374 I N 2.002 122.706 120.570 0.223 0.000 2.354 1374 I HA 0.328 4.498 4.170 0.000 0.000 0.292 1374 I C -1.605 174.634 176.117 0.203 0.000 0.989 1374 I CA -2.553 58.857 61.300 0.184 0.000 1.188 1374 I CB 1.915 40.041 38.000 0.211 0.000 1.342 1374 I HN -0.051 nan 8.210 nan 0.000 0.457 1375 P HA 0.045 nan 4.420 nan 0.000 0.271 1375 P C 0.576 177.530 177.300 -0.576 0.000 1.216 1375 P CA -0.243 62.769 63.100 -0.146 0.000 0.776 1375 P CB 1.023 32.683 31.700 -0.067 0.000 0.881 1376 S N 1.088 116.210 115.700 -0.962 0.000 2.465 1376 S HA -0.156 4.314 4.470 0.000 0.000 0.241 1376 S C 1.649 175.710 174.600 -0.898 0.000 1.000 1376 S CA 1.268 58.406 58.200 -1.770 0.000 0.964 1376 S CB -1.267 61.373 63.200 -0.935 0.000 0.763 1376 S HN 0.606 nan 8.310 nan 0.000 0.512 1377 S N 0.161 115.552 115.700 -0.516 0.000 2.607 1377 S HA 0.231 4.701 4.470 0.000 0.000 0.224 1377 S C 1.456 175.836 174.600 -0.367 0.000 0.969 1377 S CA 0.099 58.046 58.200 -0.421 0.000 0.927 1377 S CB -0.288 62.563 63.200 -0.581 0.000 0.772 1377 S HN 0.374 nan 8.310 nan 0.000 0.533 1378 M N 0.027 119.449 119.600 -0.297 0.000 2.367 1378 M HA 0.402 4.883 4.480 0.000 0.000 0.256 1378 M C 1.108 177.359 176.300 -0.082 0.000 1.091 1378 M CA -0.124 55.084 55.300 -0.154 0.000 1.049 1378 M CB -0.946 31.593 32.600 -0.101 0.000 1.406 1378 M HN 0.376 nan 8.290 nan 0.000 0.498 1379 F N 0.914 120.656 119.950 -0.347 0.000 2.043 1379 F HA -0.271 4.256 4.527 0.000 0.000 0.297 1379 F C 2.190 177.294 175.800 -1.161 0.000 1.121 1379 F CA 1.248 58.862 58.000 -0.643 0.000 1.199 1379 F CB -0.715 38.027 39.000 -0.430 0.000 0.968 1379 F HN 0.135 nan 8.300 nan 0.000 0.478 1380 T N -0.173 114.087 114.554 -0.491 0.000 2.915 1380 T HA -0.090 4.260 4.350 0.000 0.000 0.269 1380 T C 1.952 176.487 174.700 -0.274 0.000 1.071 1380 T CA 0.646 62.522 62.100 -0.374 0.000 1.132 1380 T CB -0.365 68.503 68.868 0.000 0.000 0.878 1380 T HN 0.023 nan 8.240 nan 0.000 0.479 1381 V N 1.458 121.207 119.914 -0.275 0.000 2.295 1381 V HA -0.123 3.997 4.120 0.000 0.000 0.246 1381 V C 2.362 178.346 176.094 -0.182 0.000 1.049 1381 V CA 1.399 63.589 62.300 -0.183 0.000 1.024 1381 V CB -0.535 31.197 31.823 -0.151 0.000 0.648 1381 V HN 0.490 nan 8.190 nan 0.000 0.447 1382 I N -0.706 119.706 120.570 -0.263 0.000 2.226 1382 I HA -0.262 3.908 4.170 0.000 0.000 0.245 1382 I C 2.335 178.342 176.117 -0.182 0.000 1.100 1382 I CA 1.936 63.079 61.300 -0.262 0.000 1.374 1382 I CB -0.405 37.458 38.000 -0.228 0.000 1.057 1382 I HN 0.256 nan 8.210 nan 0.000 0.413 1383 F N 0.641 120.429 119.950 -0.271 0.000 2.146 1383 F HA -0.202 4.326 4.527 0.000 0.000 0.298 1383 F C 2.732 178.398 175.800 -0.224 0.000 1.096 1383 F CA 0.495 58.273 58.000 -0.370 0.000 1.275 1383 F CB -0.506 38.282 39.000 -0.353 0.000 1.008 1383 F HN 0.044 nan 8.300 nan 0.000 0.480 1384 A N 0.541 123.380 122.820 0.031 0.000 1.877 1384 A HA -0.256 4.064 4.320 0.000 0.000 0.216 1384 A C 2.211 179.710 177.584 -0.143 0.000 1.186 1384 A CA 1.655 53.678 52.037 -0.024 0.000 0.620 1384 A CB -0.901 18.196 19.000 0.162 0.000 0.822 1384 A HN 0.466 nan 8.150 nan 0.000 0.443 1385 M N -0.315 119.222 119.600 -0.104 0.000 2.106 1385 M HA -0.200 4.280 4.480 0.000 0.000 0.259 1385 M C 2.180 178.405 176.300 -0.125 0.000 1.068 1385 M CA 1.956 57.188 55.300 -0.113 0.000 1.100 1385 M CB -0.253 32.220 32.600 -0.212 0.000 1.351 1385 M HN 0.425 nan 8.290 nan 0.000 0.404 1386 A N 0.126 122.841 122.820 -0.174 0.000 1.897 1386 A HA -0.151 4.169 4.320 0.000 0.000 0.215 1386 A C 2.026 179.554 177.584 -0.092 0.000 1.181 1386 A CA 1.613 53.559 52.037 -0.151 0.000 0.620 1386 A CB -0.608 18.304 19.000 -0.146 0.000 0.821 1386 A HN 0.539 nan 8.150 nan 0.000 0.443 1387 R N 0.060 120.389 120.500 -0.286 0.000 2.237 1387 R HA -0.045 4.295 4.340 0.000 0.000 0.219 1387 R C 1.804 177.563 176.300 -0.902 0.000 1.080 1387 R CA 1.850 57.595 56.100 -0.591 0.000 0.995 1387 R CB -1.354 28.460 30.300 -0.811 0.000 0.875 1387 R HN 0.457 nan 8.270 nan 0.000 0.462 1388 T N -0.560 113.622 114.554 -0.621 0.000 2.737 1388 T HA -0.170 4.180 4.350 0.000 0.000 0.269 1388 T C 1.680 176.353 174.700 -0.045 0.000 1.040 1388 T CA 1.544 63.503 62.100 -0.235 0.000 1.142 1388 T CB -0.376 68.505 68.868 0.023 0.000 0.861 1388 T HN 0.151 nan 8.240 nan 0.000 0.456 1389 V N 1.125 121.008 119.914 -0.051 0.000 2.427 1389 V HA -0.031 4.089 4.120 0.000 0.000 0.248 1389 V C 2.523 178.610 176.094 -0.011 0.000 1.051 1389 V CA 2.231 64.511 62.300 -0.032 0.000 1.048 1389 V CB -0.969 30.792 31.823 -0.104 0.000 0.666 1389 V HN 0.571 nan 8.190 nan 0.000 0.456 1390 G N -1.243 107.525 108.800 -0.053 0.000 2.402 1390 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 1390 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 1390 G C 1.311 176.414 174.900 0.338 0.000 1.162 1390 G CA 0.821 45.966 45.100 0.075 0.000 0.777 1390 G HN 0.581 nan 8.290 nan 0.000 0.539 1391 W N 0.912 122.328 121.300 0.193 0.000 2.358 1391 W HA 0.088 4.748 4.660 0.000 0.000 0.303 1391 W C 2.518 179.157 176.519 0.201 0.000 1.208 1391 W CA 0.098 57.553 57.345 0.182 0.000 1.274 1391 W CB -1.028 28.489 29.460 0.096 0.000 1.138 1391 W HN 0.183 nan 8.180 nan 0.000 0.515 1392 I N 0.251 121.028 120.570 0.345 0.000 2.226 1392 I HA -0.299 3.872 4.170 0.000 0.000 0.245 1392 I C 2.561 178.864 176.117 0.309 0.000 1.100 1392 I CA 1.627 63.081 61.300 0.257 0.000 1.374 1392 I CB -0.953 37.110 38.000 0.105 0.000 1.057 1392 I HN -0.155 nan 8.210 nan 0.000 0.413 1393 A N 0.071 123.003 122.820 0.186 0.000 1.902 1393 A HA -0.228 4.092 4.320 0.000 0.000 0.217 1393 A C 2.233 179.855 177.584 0.063 0.000 1.181 1393 A CA 1.486 53.563 52.037 0.067 0.000 0.623 1393 A CB -0.921 18.040 19.000 -0.066 0.000 0.818 1393 A HN 0.421 nan 8.150 nan 0.000 0.443 1394 H N -2.769 116.416 119.070 0.192 0.000 2.353 1394 H HA -0.176 4.380 4.556 0.000 0.000 0.300 1394 H C 1.972 177.415 175.328 0.192 0.000 1.090 1394 H CA 1.767 57.918 56.048 0.171 0.000 1.327 1394 H CB -0.377 29.504 29.762 0.199 0.000 1.383 1394 H HN 0.826 nan 8.280 nan 0.000 0.508 1395 W N 2.032 123.445 121.300 0.188 0.000 2.363 1395 W HA -0.166 4.494 4.660 0.000 0.000 0.296 1395 W C 2.374 178.976 176.519 0.138 0.000 1.212 1395 W CA 1.639 59.060 57.345 0.126 0.000 1.260 1395 W CB -0.084 29.458 29.460 0.137 0.000 1.131 1395 W HN -0.074 nan 8.180 nan 0.000 0.530 1396 S N -0.120 115.713 115.700 0.222 0.000 2.387 1396 S HA -0.201 4.269 4.470 0.000 0.000 0.226 1396 S C 1.627 176.189 174.600 -0.064 0.000 1.026 1396 S CA 1.484 59.690 58.200 0.009 0.000 0.972 1396 S CB -0.397 62.873 63.200 0.115 0.000 0.814 1396 S HN 0.433 nan 8.310 nan 0.000 0.477 1397 E N 0.750 120.931 120.200 -0.031 0.000 2.152 1397 E HA -0.065 4.285 4.350 0.000 0.000 0.192 1397 E C 2.086 178.633 176.600 -0.088 0.000 0.983 1397 E CA 0.574 56.941 56.400 -0.055 0.000 0.818 1397 E CB -0.084 29.586 29.700 -0.049 0.000 0.758 1397 E HN 0.314 nan 8.360 nan 0.000 0.467 1398 M N 0.087 119.612 119.600 -0.126 0.000 2.159 1398 M HA -0.177 4.303 4.480 0.000 0.000 0.263 1398 M C 1.201 177.309 176.300 -0.320 0.000 1.063 1398 M CA 1.863 57.035 55.300 -0.213 0.000 1.110 1398 M CB -0.484 31.966 32.600 -0.250 0.000 1.374 1398 M HN 0.218 nan 8.290 nan 0.000 0.411 1399 H N -0.387 118.502 119.070 -0.301 0.000 2.436 1399 H HA -0.027 4.529 4.556 0.000 0.000 0.294 1399 H C 2.342 177.548 175.328 -0.203 0.000 1.048 1399 H CA 1.821 57.680 56.048 -0.316 0.000 1.353 1399 H CB 0.192 29.650 29.762 -0.507 0.000 1.414 1399 H HN 0.577 nan 8.280 nan 0.000 0.536 1400 S N 0.245 115.908 115.700 -0.061 0.000 2.402 1400 S HA -0.160 4.310 4.470 0.000 0.000 0.229 1400 S C 1.588 176.155 174.600 -0.055 0.000 1.021 1400 S CA 1.512 59.680 58.200 -0.052 0.000 0.974 1400 S CB -0.042 63.128 63.200 -0.050 0.000 0.800 1400 S HN 0.283 nan 8.310 nan 0.000 0.484 1401 D N 1.756 122.113 120.400 -0.073 0.000 2.218 1401 D HA 0.170 4.810 4.640 0.000 0.000 0.204 1401 D C 1.498 177.757 176.300 -0.068 0.000 0.976 1401 D CA 1.508 55.466 54.000 -0.070 0.000 0.853 1401 D CB -0.431 40.318 40.800 -0.085 0.000 0.939 1401 D HN 0.704 nan 8.370 nan 0.000 0.481 1402 G N -0.506 108.250 108.800 -0.075 0.000 2.155 1402 G HA2 -0.241 3.719 3.960 0.000 0.000 0.130 1402 G HA3 -0.241 3.719 3.960 0.000 0.000 0.130 1402 G C 0.446 175.300 174.900 -0.076 0.000 1.027 1402 G CA 0.008 45.074 45.100 -0.058 0.000 0.705 1402 G HN 0.238 nan 8.290 nan 0.000 0.496 1403 M N 0.271 119.781 119.600 -0.150 0.000 2.917 1403 M HA -0.159 4.321 4.480 0.000 0.000 0.176 1403 M C 0.789 177.002 176.300 -0.145 0.000 1.181 1403 M CA 1.207 56.368 55.300 -0.231 0.000 0.723 1403 M CB -0.436 32.078 32.600 -0.143 0.000 1.207 1403 M HN 0.588 nan 8.290 nan 0.000 0.761 1404 K N 3.784 124.102 120.400 -0.137 0.000 2.351 1404 K HA 0.194 4.515 4.320 0.000 0.000 0.287 1404 K C -0.441 176.098 176.600 -0.101 0.000 1.068 1404 K CA 0.056 56.282 56.287 -0.102 0.000 0.998 1404 K CB -0.208 32.234 32.500 -0.097 0.000 0.968 1404 K HN 0.674 nan 8.250 nan 0.000 0.464 1405 I N 2.806 123.330 120.570 -0.076 0.000 2.662 1405 I HA -0.100 4.071 4.170 0.000 0.000 0.285 1405 I C 0.747 176.824 176.117 -0.066 0.000 1.161 1405 I CA -0.065 61.197 61.300 -0.063 0.000 1.415 1405 I CB 0.345 38.320 38.000 -0.041 0.000 1.385 1405 I HN 0.640 nan 8.210 nan 0.000 0.552 1406 A N 8.058 130.839 122.820 -0.066 0.000 2.473 1406 A HA 0.238 4.558 4.320 0.000 0.000 0.282 1406 A C 0.467 178.023 177.584 -0.047 0.000 1.163 1406 A CA -0.073 51.922 52.037 -0.070 0.000 0.827 1406 A CB -0.338 18.624 19.000 -0.063 0.000 1.098 1406 A HN 0.802 nan 8.150 nan 0.000 0.515 1407 R N 3.509 123.975 120.500 -0.057 0.000 2.681 1407 R HA 0.246 4.586 4.340 0.000 0.000 0.277 1407 R C -2.465 173.795 176.300 -0.066 0.000 1.563 1407 R CA -1.097 54.974 56.100 -0.049 0.000 1.673 1407 R CB 0.946 31.216 30.300 -0.049 0.000 1.258 1407 R HN 0.668 nan 8.270 nan 0.000 0.650 1408 P HA 0.150 nan 4.420 nan 0.000 0.272 1408 P C -0.282 176.967 177.300 -0.086 0.000 1.240 1408 P CA -0.367 62.710 63.100 -0.039 0.000 0.791 1408 P CB 0.999 32.740 31.700 0.069 0.000 0.978 1409 R N 0.298 120.709 120.500 -0.148 0.000 2.519 1409 R HA 0.398 4.738 4.340 0.000 0.000 0.244 1409 R C 0.494 176.792 176.300 -0.004 0.000 1.241 1409 R CA -0.359 55.628 56.100 -0.187 0.000 1.120 1409 R CB 0.041 30.053 30.300 -0.480 0.000 1.333 1409 R HN 0.722 nan 8.270 nan 0.000 0.587 1410 Q N -0.546 119.308 119.800 0.089 0.000 2.435 1410 Q HA 0.480 4.820 4.340 0.000 0.000 0.282 1410 Q C -1.561 174.587 176.000 0.247 0.000 1.020 1410 Q CA -0.971 54.931 55.803 0.164 0.000 0.820 1410 Q CB 1.342 30.168 28.738 0.147 0.000 1.436 1410 Q HN 0.266 nan 8.270 nan 0.000 0.395 1411 L N 2.434 123.823 121.223 0.278 0.000 2.272 1411 L HA 0.426 4.766 4.340 0.000 0.000 0.284 1411 L C -1.656 175.323 176.870 0.182 0.000 1.045 1411 L CA -0.407 54.564 54.840 0.217 0.000 0.842 1411 L CB 0.477 42.609 42.059 0.121 0.000 1.224 1411 L HN 0.724 nan 8.230 nan 0.000 0.430 1412 Y N 3.564 123.905 120.300 0.069 0.000 2.359 1412 Y HA 0.364 4.914 4.550 0.000 0.000 0.334 1412 Y C 0.983 176.891 175.900 0.014 0.000 1.058 1412 Y CA 0.676 58.804 58.100 0.046 0.000 1.244 1412 Y CB 1.033 39.524 38.460 0.052 0.000 1.187 1412 Y HN 0.775 nan 8.280 nan 0.000 0.510 1413 T N 1.336 115.588 114.554 -0.502 0.000 3.275 1413 T HA 0.384 4.734 4.350 0.000 0.000 0.298 1413 T C 0.611 174.983 174.700 -0.547 0.000 0.988 1413 T CA 0.016 61.887 62.100 -0.382 0.000 0.936 1413 T CB -0.275 68.462 68.868 -0.219 0.000 1.159 1413 T HN 0.730 nan 8.240 nan 0.000 0.519 1414 G N 0.388 108.531 108.800 -1.095 0.000 2.510 1414 G HA2 0.514 4.474 3.960 0.000 0.000 0.280 1414 G HA3 0.514 4.474 3.960 0.000 0.000 0.280 1414 G C -0.715 174.018 174.900 -0.279 0.000 1.386 1414 G CA -0.965 43.720 45.100 -0.692 0.000 1.047 1414 G HN 0.325 nan 8.290 nan 0.000 0.527 1415 Y N 0.146 120.447 120.300 0.003 0.000 2.652 1415 Y HA 0.159 4.709 4.550 0.000 0.000 0.344 1415 Y C 1.247 177.280 175.900 0.222 0.000 1.254 1415 Y CA 0.520 58.682 58.100 0.103 0.000 1.480 1415 Y CB 0.433 38.953 38.460 0.100 0.000 1.345 1415 Y HN 0.440 nan 8.280 nan 0.000 0.617 1416 E N 1.284 121.690 120.200 0.342 0.000 2.385 1416 E HA 0.145 4.495 4.350 0.000 0.000 0.254 1416 E C -0.349 176.372 176.600 0.202 0.000 1.228 1416 E CA -0.891 55.654 56.400 0.241 0.000 0.956 1416 E CB 0.305 30.101 29.700 0.160 0.000 1.116 1416 E HN 0.221 nan 8.360 nan 0.000 0.507 1417 K N 1.789 122.262 120.400 0.121 0.000 2.484 1417 K HA -0.005 4.315 4.320 0.000 0.000 0.280 1417 K C -0.674 175.972 176.600 0.076 0.000 1.013 1417 K CA 0.343 56.679 56.287 0.082 0.000 1.029 1417 K CB 0.133 32.662 32.500 0.048 0.000 0.902 1417 K HN 0.636 nan 8.250 nan 0.000 0.481 1418 R N 2.034 122.568 120.500 0.057 0.000 2.626 1418 R HA 0.338 4.678 4.340 0.000 0.000 0.274 1418 R C -1.217 175.106 176.300 0.039 0.000 1.031 1418 R CA -0.963 55.156 56.100 0.032 0.000 0.898 1418 R CB 0.903 31.195 30.300 -0.012 0.000 1.222 1418 R HN 0.334 nan 8.270 nan 0.000 0.455 1419 D N 2.186 122.606 120.400 0.033 0.000 2.382 1419 D HA 0.058 4.698 4.640 0.000 0.000 0.245 1419 D C -0.817 175.530 176.300 0.078 0.000 1.120 1419 D CA 0.284 54.315 54.000 0.052 0.000 0.890 1419 D CB 0.767 41.580 40.800 0.022 0.000 1.201 1419 D HN 0.367 nan 8.370 nan 0.000 0.433 1420 F N 2.283 122.214 119.950 -0.032 0.000 2.411 1420 F HA 0.236 4.763 4.527 0.000 0.000 0.355 1420 F C 0.111 175.894 175.800 -0.029 0.000 1.117 1420 F CA -0.757 57.221 58.000 -0.036 0.000 1.139 1420 F CB 0.705 39.688 39.000 -0.029 0.000 1.120 1420 F HN -0.002 nan 8.300 nan 0.000 0.493 1421 K N 5.044 124.974 120.400 -0.783 0.000 2.535 1421 K HA 0.376 4.697 4.320 0.000 0.000 0.253 1421 K C -1.488 174.625 176.600 -0.812 0.000 0.953 1421 K CA -0.452 55.451 56.287 -0.641 0.000 0.863 1421 K CB 1.624 33.946 32.500 -0.297 0.000 1.111 1421 K HN 0.477 nan 8.250 nan 0.000 0.431 1422 S N 3.024 118.263 115.700 -0.767 0.000 2.475 1422 S HA 0.357 4.827 4.470 0.000 0.000 0.298 1422 S C -0.295 174.191 174.600 -0.191 0.000 1.119 1422 S CA -0.594 57.341 58.200 -0.442 0.000 1.085 1422 S CB 0.923 63.976 63.200 -0.245 0.000 1.028 1422 S HN 0.722 nan 8.310 nan 0.000 0.489 1423 D N 2.733 123.062 120.400 -0.118 0.000 2.422 1423 D HA 0.125 4.766 4.640 0.000 0.000 0.218 1423 D C 1.152 177.433 176.300 -0.032 0.000 1.047 1423 D CA 0.176 54.136 54.000 -0.068 0.000 0.885 1423 D CB 0.226 40.989 40.800 -0.062 0.000 1.035 1423 D HN 0.755 nan 8.370 nan 0.000 0.502 1424 I N -0.568 119.993 120.570 -0.015 0.000 3.245 1424 I HA -0.016 4.154 4.170 0.000 0.000 0.290 1424 I C 0.035 176.158 176.117 0.009 0.000 1.269 1424 I CA 0.480 61.783 61.300 0.005 0.000 1.383 1424 I CB 0.487 38.502 38.000 0.024 0.000 1.337 1424 I HN -0.382 nan 8.210 nan 0.000 0.599 1425 K N 4.272 124.678 120.400 0.011 0.000 3.088 1425 K HA 0.413 4.733 4.320 0.000 0.000 0.193 1425 K C -1.020 175.588 176.600 0.012 0.000 1.176 1425 K CA -0.353 55.941 56.287 0.011 0.000 0.907 1425 K CB 0.927 33.430 32.500 0.005 0.000 1.139 1425 K HN 0.872 nan 8.250 nan 0.000 0.597 1426 R N 0.000 120.510 120.500 0.017 0.000 2.786 1426 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1426 R CA 0.000 56.109 56.100 0.014 0.000 0.921 1426 R CB 0.000 30.308 30.300 0.013 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535