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 1jqb_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKGFAMLGIN KLGWIEKERP VAGSYDAIVR PLAVSPCTSD IHTVFEGALG DATA SEQUENCE DRKNMILGHE AVGEVVEVGS EVKDFKPGDR VIVPCTTPDW RSLEVQAGFQ DATA SEQUENCE QHSNGMLAGW KFSNFKDGVF GEYFHVNDAD MNLAILPKDM PLENAVMITD DATA SEQUENCE MMTTGFHGAE LADIEMGSSV VVIGIGAVGL MGIAGAKLRG AGRIIGVGSR DATA SEQUENCE PICVEAAKFY GATDILNYKN GHIEDQVMKL TNGKGVDRVI MAGGGSETLS DATA SEQUENCE QAVKMVKPGG IISNINYHGS GDALLIPRVE WGCGMAHKTI KGGLCPGGRL DATA SEQUENCE RAERLRDMVV YNRVDLSKLV THVYHGFDHI EEALLLMKDK PKDLIKAVVI DATA SEQUENCE L 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.430 176.300 0.216 0.000 1.140 1001 M CA 0.000 55.418 55.300 0.196 0.000 0.988 1001 M CB 0.000 32.758 32.600 0.264 0.000 1.302 1002 K N 0.819 121.381 120.400 0.270 0.000 2.156 1002 K HA 0.982 5.302 4.320 0.000 0.000 0.250 1002 K C -0.519 176.400 176.600 0.532 0.000 0.955 1002 K CA -0.565 55.951 56.287 0.382 0.000 0.855 1002 K CB 2.274 35.013 32.500 0.399 0.000 1.101 1002 K HN 0.963 nan 8.250 nan 0.000 0.434 1003 G N 1.193 110.297 108.800 0.507 0.000 2.718 1003 G HA2 0.407 4.367 3.960 0.000 0.000 0.295 1003 G HA3 0.407 4.367 3.960 0.000 0.000 0.295 1003 G C -2.124 172.787 174.900 0.019 0.000 1.421 1003 G CA -0.824 44.488 45.100 0.353 0.000 0.902 1003 G HN 0.481 nan 8.290 nan 0.000 0.501 1004 F N 2.169 121.754 119.950 -0.609 0.000 2.413 1004 F HA 0.689 5.217 4.527 0.000 0.000 0.359 1004 F C 0.485 176.080 175.800 -0.341 0.000 1.122 1004 F CA -0.576 56.869 58.000 -0.926 0.000 1.160 1004 F CB 0.656 38.882 39.000 -1.291 0.000 1.146 1004 F HN 0.661 nan 8.300 nan 0.000 0.514 1005 A N 6.530 129.003 122.820 -0.578 0.000 2.387 1005 A HA 0.654 4.974 4.320 0.000 0.000 0.298 1005 A C -0.872 176.433 177.584 -0.465 0.000 1.165 1005 A CA -0.991 50.819 52.037 -0.379 0.000 0.814 1005 A CB 1.377 20.266 19.000 -0.184 0.000 1.357 1005 A HN 0.738 nan 8.150 nan 0.000 0.443 1006 M N 1.967 121.389 119.600 -0.296 0.000 2.151 1006 M HA 0.252 4.733 4.480 0.000 0.000 0.349 1006 M C -0.849 175.329 176.300 -0.203 0.000 1.284 1006 M CA -0.592 54.543 55.300 -0.275 0.000 1.173 1006 M CB -0.094 32.380 32.600 -0.210 0.000 1.469 1006 M HN 0.589 nan 8.290 nan 0.000 0.439 1007 L N 4.624 125.725 121.223 -0.204 0.000 2.633 1007 L HA 0.265 4.605 4.340 0.000 0.000 0.235 1007 L C 1.084 177.892 176.870 -0.103 0.000 1.163 1007 L CA 0.732 55.494 54.840 -0.130 0.000 0.859 1007 L CB -1.381 40.612 42.059 -0.110 0.000 0.973 1007 L HN 0.942 nan 8.230 nan 0.000 0.451 1008 G N -1.769 106.956 108.800 -0.125 0.000 2.353 1008 G HA2 0.028 3.988 3.960 0.000 0.000 0.424 1008 G HA3 0.028 3.988 3.960 0.000 0.000 0.424 1008 G C -1.030 173.797 174.900 -0.122 0.000 1.320 1008 G CA -1.207 43.834 45.100 -0.098 0.000 0.995 1008 G HN -0.168 nan 8.290 nan 0.000 0.580 1009 I N 1.931 122.448 120.570 -0.088 0.000 2.919 1009 I HA 0.020 4.191 4.170 0.000 0.000 0.299 1009 I C 1.400 177.462 176.117 -0.091 0.000 1.221 1009 I CA 1.073 62.320 61.300 -0.088 0.000 1.424 1009 I CB -0.241 37.739 38.000 -0.034 0.000 1.358 1009 I HN 0.650 nan 8.210 nan 0.000 0.551 1010 N N 2.277 120.876 118.700 -0.169 0.000 2.936 1010 N HA -0.211 4.530 4.740 0.000 0.000 0.236 1010 N C -0.059 175.398 175.510 -0.088 0.000 0.930 1010 N CA 0.944 53.948 53.050 -0.076 0.000 0.966 1010 N CB -0.774 37.789 38.487 0.126 0.000 1.090 1010 N HN 0.463 nan 8.380 nan 0.000 0.592 1011 K N 0.680 120.965 120.400 -0.191 0.000 2.292 1011 K HA 0.663 4.983 4.320 0.000 0.000 0.257 1011 K C -0.414 176.042 176.600 -0.240 0.000 0.940 1011 K CA -0.240 55.965 56.287 -0.137 0.000 0.811 1011 K CB 1.353 33.799 32.500 -0.091 0.000 1.120 1011 K HN 0.069 nan 8.250 nan 0.000 0.428 1012 L N 1.635 122.736 121.223 -0.204 0.000 2.354 1012 L HA 0.896 5.236 4.340 0.000 0.000 0.264 1012 L C -0.018 176.631 176.870 -0.369 0.000 1.008 1012 L CA -0.980 53.625 54.840 -0.392 0.000 0.819 1012 L CB 2.436 44.312 42.059 -0.305 0.000 1.339 1012 L HN 0.784 nan 8.230 nan 0.000 0.420 1013 G N 0.244 108.607 108.800 -0.727 0.000 2.340 1013 G HA2 0.259 4.219 3.960 0.000 0.000 0.298 1013 G HA3 0.259 4.219 3.960 0.000 0.000 0.298 1013 G C -2.569 172.132 174.900 -0.332 0.000 1.498 1013 G CA -0.886 44.023 45.100 -0.317 0.000 0.847 1013 G HN 0.391 nan 8.290 nan 0.000 0.594 1014 W N 0.617 121.961 121.300 0.074 0.000 2.287 1014 W HA 0.653 5.313 4.660 0.000 0.000 0.313 1014 W C 0.957 177.505 176.519 0.048 0.000 1.267 1014 W CA -0.149 57.266 57.345 0.117 0.000 1.201 1014 W CB 0.950 30.500 29.460 0.150 0.000 1.196 1014 W HN 0.585 nan 8.180 nan 0.000 0.536 1015 I N -1.608 119.113 120.570 0.252 0.000 3.264 1015 I HA 0.592 4.763 4.170 0.000 0.000 0.315 1015 I C -0.635 175.595 176.117 0.189 0.000 1.154 1015 I CA -1.550 59.849 61.300 0.165 0.000 0.962 1015 I CB 2.164 40.206 38.000 0.070 0.000 1.265 1015 I HN 0.212 nan 8.210 nan 0.000 0.463 1016 E N 2.046 122.328 120.200 0.138 0.000 2.204 1016 E HA 0.519 4.869 4.350 0.000 0.000 0.276 1016 E C -1.202 175.466 176.600 0.112 0.000 0.974 1016 E CA -0.952 55.529 56.400 0.135 0.000 0.815 1016 E CB 1.765 31.528 29.700 0.105 0.000 1.119 1016 E HN 0.344 nan 8.360 nan 0.000 0.393 1017 K N 2.057 122.532 120.400 0.125 0.000 2.502 1017 K HA 0.271 4.591 4.320 0.000 0.000 0.257 1017 K C -0.806 175.860 176.600 0.111 0.000 0.938 1017 K CA -0.666 55.685 56.287 0.107 0.000 0.819 1017 K CB 2.115 34.686 32.500 0.118 0.000 1.333 1017 K HN 0.503 nan 8.250 nan 0.000 0.434 1018 E N 1.552 121.805 120.200 0.088 0.000 2.415 1018 E HA -0.000 4.350 4.350 0.000 0.000 0.262 1018 E C 0.165 176.825 176.600 0.100 0.000 1.038 1018 E CA -0.021 56.428 56.400 0.081 0.000 0.921 1018 E CB 0.769 30.504 29.700 0.058 0.000 0.950 1018 E HN 0.221 nan 8.360 nan 0.000 0.438 1019 R N 3.908 124.463 120.500 0.091 0.000 2.449 1019 R HA 0.068 4.408 4.340 0.000 0.000 0.296 1019 R C -1.969 174.373 176.300 0.070 0.000 1.047 1019 R CA -1.208 54.947 56.100 0.092 0.000 1.018 1019 R CB 0.301 30.617 30.300 0.026 0.000 0.962 1019 R HN 0.312 nan 8.270 nan 0.000 0.428 1020 P HA 0.005 nan 4.420 nan 0.000 0.271 1020 P C -0.753 176.604 177.300 0.095 0.000 1.218 1020 P CA -0.247 62.930 63.100 0.128 0.000 0.780 1020 P CB 1.130 32.961 31.700 0.219 0.000 0.901 1021 V N -0.668 119.316 119.914 0.116 0.000 2.581 1021 V HA 0.824 4.944 4.120 0.000 0.000 0.303 1021 V C -0.056 176.139 176.094 0.168 0.000 1.041 1021 V CA -1.303 61.049 62.300 0.086 0.000 0.907 1021 V CB 1.229 33.083 31.823 0.052 0.000 0.994 1021 V HN 0.728 nan 8.190 nan 0.000 0.442 1022 A N 3.134 126.010 122.820 0.094 0.000 2.327 1022 A HA 0.842 5.162 4.320 0.000 0.000 0.283 1022 A C 0.688 178.333 177.584 0.102 0.000 1.127 1022 A CA 0.182 52.272 52.037 0.087 0.000 0.810 1022 A CB 0.528 19.510 19.000 -0.029 0.000 1.066 1022 A HN 1.741 nan 8.150 nan 0.000 0.492 1023 G N 0.063 108.960 108.800 0.162 0.000 2.588 1023 G HA2 0.397 4.357 3.960 0.000 0.000 0.281 1023 G HA3 0.397 4.357 3.960 0.000 0.000 0.281 1023 G C 1.000 175.955 174.900 0.092 0.000 1.236 1023 G CA 0.327 45.510 45.100 0.138 0.000 0.969 1023 G HN 0.740 nan 8.290 nan 0.000 0.504 1024 S N -0.960 114.783 115.700 0.072 0.000 2.392 1024 S HA -0.188 4.282 4.470 0.000 0.000 0.232 1024 S C 1.533 176.009 174.600 -0.206 0.000 1.041 1024 S CA 1.800 59.951 58.200 -0.081 0.000 1.026 1024 S CB -0.362 62.759 63.200 -0.132 0.000 0.845 1024 S HN 0.557 nan 8.310 nan 0.000 0.465 1025 Y N 1.010 121.341 120.300 0.051 0.000 2.467 1025 Y HA 0.304 4.854 4.550 0.000 0.000 0.250 1025 Y C 0.405 176.325 175.900 0.034 0.000 1.155 1025 Y CA -0.846 57.286 58.100 0.053 0.000 1.249 1025 Y CB 0.200 38.701 38.460 0.069 0.000 1.146 1025 Y HN 0.128 nan 8.280 nan 0.000 0.524 1026 D N 0.429 120.901 120.400 0.120 0.000 2.432 1026 D HA 0.604 5.244 4.640 0.000 0.000 0.258 1026 D C -0.260 175.986 176.300 -0.089 0.000 1.146 1026 D CA -0.265 53.717 54.000 -0.029 0.000 1.015 1026 D CB 1.653 42.364 40.800 -0.147 0.000 1.107 1026 D HN 0.064 nan 8.370 nan 0.000 0.529 1027 A N 0.405 123.111 122.820 -0.189 0.000 2.449 1027 A HA 0.539 4.859 4.320 0.000 0.000 0.302 1027 A C -1.156 176.321 177.584 -0.178 0.000 1.048 1027 A CA -0.673 51.284 52.037 -0.135 0.000 0.708 1027 A CB 1.219 20.163 19.000 -0.093 0.000 1.274 1027 A HN 0.352 nan 8.150 nan 0.000 0.410 1028 I N 2.417 122.908 120.570 -0.131 0.000 2.336 1028 I HA 0.497 4.667 4.170 0.000 0.000 0.292 1028 I C -0.369 175.651 176.117 -0.161 0.000 0.991 1028 I CA -0.453 60.773 61.300 -0.123 0.000 1.227 1028 I CB 0.994 38.922 38.000 -0.121 0.000 1.366 1028 I HN 0.321 nan 8.210 nan 0.000 0.466 1029 V N 6.891 126.614 119.914 -0.318 0.000 2.823 1029 V HA 0.553 4.673 4.120 0.000 0.000 0.312 1029 V C -0.009 175.718 176.094 -0.612 0.000 1.072 1029 V CA -1.004 61.011 62.300 -0.474 0.000 0.937 1029 V CB 2.571 34.012 31.823 -0.637 0.000 1.013 1029 V HN 0.802 nan 8.190 nan 0.000 0.430 1030 R N 3.908 124.224 120.500 -0.307 0.000 2.393 1030 R HA 0.601 4.941 4.340 0.000 0.000 0.310 1030 R C -2.900 173.294 176.300 -0.176 0.000 0.968 1030 R CA -1.811 54.128 56.100 -0.267 0.000 0.867 1030 R CB 1.966 32.148 30.300 -0.196 0.000 1.124 1030 R HN 0.430 nan 8.270 nan 0.000 0.450 1031 P HA 0.044 nan 4.420 nan 0.000 0.271 1031 P C -0.051 177.297 177.300 0.080 0.000 1.216 1031 P CA -0.262 62.950 63.100 0.187 0.000 0.771 1031 P CB 1.244 33.173 31.700 0.381 0.000 0.864 1032 L N 1.755 123.034 121.223 0.093 0.000 2.425 1032 L HA 0.347 4.688 4.340 0.000 0.000 0.215 1032 L C 1.119 178.037 176.870 0.079 0.000 1.065 1032 L CA 0.566 55.443 54.840 0.062 0.000 0.842 1032 L CB 0.032 42.122 42.059 0.051 0.000 1.033 1032 L HN 0.432 nan 8.230 nan 0.000 0.474 1033 A N 0.034 122.915 122.820 0.102 0.000 2.547 1033 A HA 0.650 4.970 4.320 0.000 0.000 0.297 1033 A C -1.026 176.629 177.584 0.119 0.000 1.056 1033 A CA -0.442 51.650 52.037 0.090 0.000 0.688 1033 A CB 1.681 20.711 19.000 0.049 0.000 1.282 1033 A HN -0.096 nan 8.150 nan 0.000 0.400 1034 V N -1.326 118.667 119.914 0.131 0.000 3.160 1034 V HA 1.006 5.126 4.120 0.000 0.000 0.310 1034 V C -0.345 175.835 176.094 0.143 0.000 1.181 1034 V CA -0.342 62.060 62.300 0.170 0.000 1.047 1034 V CB 1.531 33.556 31.823 0.337 0.000 1.068 1034 V HN 1.743 nan 8.190 nan 0.000 0.441 1035 S N 1.933 117.736 115.700 0.172 0.000 2.546 1035 S HA 0.760 5.230 4.470 0.000 0.000 0.272 1035 S C -3.159 171.553 174.600 0.186 0.000 1.140 1035 S CA -1.029 57.244 58.200 0.122 0.000 0.920 1035 S CB 2.464 65.691 63.200 0.046 0.000 1.083 1035 S HN 0.978 nan 8.310 nan 0.000 0.476 1036 P HA 0.381 nan 4.420 nan 0.000 0.282 1036 P C -0.754 176.577 177.300 0.052 0.000 1.249 1036 P CA -0.442 62.791 63.100 0.222 0.000 0.806 1036 P CB 0.896 32.672 31.700 0.126 0.000 0.984 1037 C N 2.264 121.567 119.300 0.006 0.000 2.561 1037 C HA 0.390 4.850 4.460 0.000 0.000 0.319 1037 C C 2.278 177.273 174.990 0.008 0.000 1.198 1037 C CA 0.206 59.217 59.018 -0.010 0.000 1.665 1037 C CB 0.674 28.397 27.740 -0.029 0.000 2.258 1037 C HN 0.811 nan 8.230 nan 0.000 0.493 1038 T N 1.232 115.762 114.554 -0.040 0.000 2.849 1038 T HA -0.120 4.230 4.350 0.000 0.000 0.270 1038 T C 1.552 176.078 174.700 -0.289 0.000 1.066 1038 T CA 2.055 64.059 62.100 -0.161 0.000 1.130 1038 T CB -0.327 68.425 68.868 -0.194 0.000 0.864 1038 T HN 0.678 nan 8.240 nan 0.000 0.481 1039 S N 1.740 117.417 115.700 -0.039 0.000 2.368 1039 S HA -0.120 4.350 4.470 0.000 0.000 0.225 1039 S C 1.821 176.580 174.600 0.264 0.000 1.030 1039 S CA 1.210 59.538 58.200 0.214 0.000 0.999 1039 S CB -0.516 62.933 63.200 0.414 0.000 0.844 1039 S HN 0.576 nan 8.310 nan 0.000 0.459 1040 D N 1.345 121.877 120.400 0.220 0.000 2.182 1040 D HA -0.094 4.547 4.640 0.000 0.000 0.201 1040 D C 1.815 178.195 176.300 0.133 0.000 0.986 1040 D CA 0.874 54.989 54.000 0.193 0.000 0.847 1040 D CB -0.169 40.724 40.800 0.156 0.000 0.942 1040 D HN 0.299 nan 8.370 nan 0.000 0.467 1041 I N 0.992 121.616 120.570 0.090 0.000 2.202 1041 I HA -0.195 3.975 4.170 0.000 0.000 0.242 1041 I C 2.275 178.498 176.117 0.176 0.000 1.091 1041 I CA 1.172 62.573 61.300 0.168 0.000 1.368 1041 I CB -1.381 36.667 38.000 0.081 0.000 1.058 1041 I HN 0.086 nan 8.210 nan 0.000 0.410 1042 H N 0.892 119.997 119.070 0.059 0.000 2.352 1042 H HA -0.100 4.457 4.556 0.000 0.000 0.299 1042 H C 2.318 177.667 175.328 0.036 0.000 1.097 1042 H CA 1.958 57.969 56.048 -0.062 0.000 1.311 1042 H CB -0.946 28.541 29.762 -0.459 0.000 1.377 1042 H HN 0.267 nan 8.280 nan 0.000 0.504 1043 T N 0.614 115.324 114.554 0.260 0.000 2.777 1043 T HA -0.065 4.286 4.350 0.000 0.000 0.266 1043 T C 2.404 177.132 174.700 0.047 0.000 1.040 1043 T CA 1.317 63.538 62.100 0.203 0.000 1.141 1043 T CB -0.316 68.693 68.868 0.236 0.000 0.868 1043 T HN 0.077 nan 8.240 nan 0.000 0.444 1044 V N 0.349 120.231 119.914 -0.053 0.000 2.283 1044 V HA 0.042 4.162 4.120 0.000 0.000 0.239 1044 V C 1.699 177.586 176.094 -0.344 0.000 1.035 1044 V CA 1.310 63.426 62.300 -0.306 0.000 1.018 1044 V CB -0.587 30.860 31.823 -0.627 0.000 0.658 1044 V HN 0.382 nan 8.190 nan 0.000 0.459 1045 F N 0.198 120.171 119.950 0.037 0.000 2.769 1045 F HA 0.208 4.736 4.527 0.000 0.000 0.304 1045 F C 1.530 177.350 175.800 0.032 0.000 1.158 1045 F CA 0.483 58.500 58.000 0.028 0.000 1.398 1045 F CB -0.223 38.792 39.000 0.024 0.000 1.094 1045 F HN 0.235 nan 8.300 nan 0.000 0.553 1046 E N -1.542 118.743 120.200 0.142 0.000 2.671 1046 E HA 0.200 4.550 4.350 0.000 0.000 0.204 1046 E C 1.263 177.901 176.600 0.062 0.000 0.940 1046 E CA 0.271 56.729 56.400 0.097 0.000 1.328 1046 E CB 0.766 30.519 29.700 0.088 0.000 1.214 1046 E HN 0.090 nan 8.360 nan 0.000 0.624 1047 G N 1.693 110.526 108.800 0.055 0.000 2.390 1047 G HA2 -0.346 3.615 3.960 0.000 0.000 0.299 1047 G HA3 -0.346 3.615 3.960 0.000 0.000 0.299 1047 G C 0.995 175.943 174.900 0.080 0.000 1.002 1047 G CA 0.491 45.622 45.100 0.051 0.000 0.979 1047 G HN 0.424 nan 8.290 nan 0.000 0.513 1048 A N -1.047 121.845 122.820 0.121 0.000 2.070 1048 A HA 0.234 4.555 4.320 0.000 0.000 0.220 1048 A C 2.133 179.848 177.584 0.219 0.000 1.159 1048 A CA 1.551 53.684 52.037 0.159 0.000 0.656 1048 A CB -0.039 19.054 19.000 0.155 0.000 0.800 1048 A HN 0.885 nan 8.150 nan 0.000 0.453 1049 L N -1.481 119.862 121.223 0.201 0.000 2.808 1049 L HA 0.423 4.763 4.340 0.000 0.000 0.246 1049 L C 0.948 177.863 176.870 0.076 0.000 1.153 1049 L CA 0.165 55.096 54.840 0.150 0.000 0.956 1049 L CB -0.282 41.864 42.059 0.144 0.000 1.270 1049 L HN 0.530 nan 8.230 nan 0.000 0.528 1050 G N 0.762 109.598 108.800 0.061 0.000 2.661 1050 G HA2 -0.225 3.736 3.960 0.000 0.000 0.685 1050 G HA3 -0.225 3.736 3.960 0.000 0.000 0.685 1050 G C -0.934 173.975 174.900 0.015 0.000 1.298 1050 G CA -0.680 44.437 45.100 0.029 0.000 0.855 1050 G HN 0.230 nan 8.290 nan 0.000 0.560 1051 D N -0.026 120.375 120.400 0.001 0.000 2.443 1051 D HA 0.538 5.178 4.640 0.000 0.000 0.239 1051 D C 0.733 177.023 176.300 -0.017 0.000 1.136 1051 D CA 0.298 54.292 54.000 -0.011 0.000 0.879 1051 D CB 0.454 41.246 40.800 -0.014 0.000 1.195 1051 D HN 0.518 nan 8.370 nan 0.000 0.443 1052 R N 1.944 122.427 120.500 -0.029 0.000 2.774 1052 R HA 0.544 4.884 4.340 0.000 0.000 0.272 1052 R C -1.189 175.084 176.300 -0.045 0.000 1.000 1052 R CA -1.038 55.041 56.100 -0.035 0.000 0.906 1052 R CB 1.600 31.874 30.300 -0.042 0.000 1.227 1052 R HN 0.391 nan 8.270 nan 0.000 0.468 1053 K N 1.491 121.866 120.400 -0.042 0.000 2.601 1053 K HA 0.309 4.629 4.320 0.000 0.000 0.249 1053 K C -0.847 175.727 176.600 -0.043 0.000 0.966 1053 K CA -0.266 55.995 56.287 -0.044 0.000 0.827 1053 K CB 0.483 32.964 32.500 -0.031 0.000 1.178 1053 K HN 0.554 nan 8.250 nan 0.000 0.437 1054 N N 2.668 121.332 118.700 -0.059 0.000 2.740 1054 N HA -0.237 4.503 4.740 0.000 0.000 0.248 1054 N C -0.922 174.560 175.510 -0.047 0.000 1.062 1054 N CA 0.959 53.975 53.050 -0.055 0.000 0.704 1054 N CB -0.977 37.494 38.487 -0.027 0.000 0.968 1054 N HN 0.754 nan 8.380 nan 0.000 0.547 1055 M N 0.888 120.449 119.600 -0.065 0.000 2.113 1055 M HA 0.319 4.800 4.480 0.000 0.000 0.352 1055 M C 0.169 176.429 176.300 -0.068 0.000 1.170 1055 M CA -0.513 54.755 55.300 -0.052 0.000 1.053 1055 M CB 0.626 33.191 32.600 -0.058 0.000 1.601 1055 M HN 0.072 nan 8.290 nan 0.000 0.459 1056 I N 5.401 125.952 120.570 -0.031 0.000 2.752 1056 I HA -0.031 4.140 4.170 0.000 0.000 0.287 1056 I C -0.027 176.057 176.117 -0.056 0.000 1.188 1056 I CA 0.073 61.359 61.300 -0.023 0.000 1.427 1056 I CB 0.394 38.427 38.000 0.054 0.000 1.365 1056 I HN 0.704 nan 8.210 nan 0.000 0.585 1057 L N 4.503 125.698 121.223 -0.045 0.000 2.472 1057 L HA 0.738 5.078 4.340 0.000 0.000 0.256 1057 L C 0.566 177.067 176.870 -0.615 0.000 1.111 1057 L CA -0.518 54.248 54.840 -0.123 0.000 0.800 1057 L CB 0.820 42.922 42.059 0.071 0.000 1.286 1057 L HN 0.846 nan 8.230 nan 0.000 0.479 1058 G N 0.181 108.438 108.800 -0.906 0.000 2.777 1058 G HA2 -0.126 3.834 3.960 0.000 0.000 0.686 1058 G HA3 -0.126 3.834 3.960 0.000 0.000 0.686 1058 G C -0.435 173.991 174.900 -0.789 0.000 1.177 1058 G CA -0.037 44.099 45.100 -1.607 0.000 0.775 1058 G HN 1.109 nan 8.290 nan 0.000 0.613 1059 H N -0.269 118.511 119.070 -0.483 0.000 3.233 1059 H HA 0.332 4.888 4.556 0.000 0.000 0.252 1059 H C -0.210 174.993 175.328 -0.209 0.000 1.175 1059 H CA 0.183 56.075 56.048 -0.260 0.000 1.018 1059 H CB 0.582 30.447 29.762 0.171 0.000 2.006 1059 H HN 0.559 nan 8.280 nan 0.000 0.714 1060 E N 1.669 121.659 120.200 -0.349 0.000 2.186 1060 E HA 0.720 5.070 4.350 0.000 0.000 0.255 1060 E C -1.019 175.508 176.600 -0.121 0.000 0.881 1060 E CA -0.680 55.624 56.400 -0.161 0.000 0.752 1060 E CB 2.231 31.851 29.700 -0.133 0.000 1.176 1060 E HN 0.505 nan 8.360 nan 0.000 0.421 1061 A N 1.974 124.739 122.820 -0.092 0.000 2.597 1061 A HA 0.613 4.933 4.320 0.000 0.000 0.292 1061 A C -1.450 176.173 177.584 0.065 0.000 1.057 1061 A CA -0.591 51.441 52.037 -0.008 0.000 0.674 1061 A CB 1.425 20.407 19.000 -0.030 0.000 1.278 1061 A HN 0.284 nan 8.150 nan 0.000 0.416 1062 V N 0.449 120.426 119.914 0.106 0.000 2.628 1062 V HA 0.906 5.026 4.120 0.000 0.000 0.306 1062 V C 0.698 176.878 176.094 0.143 0.000 1.045 1062 V CA 0.494 62.861 62.300 0.111 0.000 0.905 1062 V CB 1.758 33.626 31.823 0.074 0.000 0.997 1062 V HN 1.778 nan 8.190 nan 0.000 0.436 1063 G N 2.423 111.301 108.800 0.130 0.000 2.682 1063 G HA2 0.600 4.560 3.960 0.000 0.000 0.303 1063 G HA3 0.600 4.560 3.960 0.000 0.000 0.303 1063 G C -1.706 173.215 174.900 0.035 0.000 1.341 1063 G CA -0.424 44.727 45.100 0.085 0.000 0.784 1063 G HN 0.627 nan 8.290 nan 0.000 0.497 1064 E N -0.175 120.020 120.200 -0.008 0.000 2.171 1064 E HA 0.519 4.869 4.350 0.000 0.000 0.271 1064 E C -0.644 175.939 176.600 -0.027 0.000 0.916 1064 E CA -0.606 55.793 56.400 -0.001 0.000 0.774 1064 E CB 2.035 31.738 29.700 0.005 0.000 1.128 1064 E HN 0.221 nan 8.360 nan 0.000 0.403 1065 V N 5.099 125.012 119.914 -0.002 0.000 2.521 1065 V HA -0.003 4.117 4.120 0.000 0.000 0.286 1065 V C 0.957 177.047 176.094 -0.006 0.000 1.034 1065 V CA 0.072 62.363 62.300 -0.015 0.000 1.045 1065 V CB 1.142 32.985 31.823 0.034 0.000 0.974 1065 V HN 0.701 nan 8.190 nan 0.000 0.480 1066 V N 3.619 123.518 119.914 -0.025 0.000 2.908 1066 V HA 0.218 4.338 4.120 0.000 0.000 0.240 1066 V C 0.606 176.675 176.094 -0.042 0.000 1.117 1066 V CA 0.732 63.020 62.300 -0.019 0.000 1.133 1066 V CB 0.156 31.974 31.823 -0.009 0.000 0.857 1066 V HN 0.930 nan 8.190 nan 0.000 0.478 1067 E N -0.416 119.748 120.200 -0.060 0.000 2.340 1067 E HA 0.630 4.980 4.350 0.000 0.000 0.273 1067 E C -1.578 174.996 176.600 -0.043 0.000 0.891 1067 E CA -0.484 55.883 56.400 -0.056 0.000 0.757 1067 E CB 3.140 32.790 29.700 -0.083 0.000 1.231 1067 E HN 0.125 nan 8.360 nan 0.000 0.439 1068 V N -1.387 118.511 119.914 -0.026 0.000 2.925 1068 V HA 0.847 4.967 4.120 0.000 0.000 0.311 1068 V C 0.384 176.462 176.094 -0.025 0.000 1.104 1068 V CA -0.879 61.412 62.300 -0.015 0.000 0.954 1068 V CB 1.492 33.329 31.823 0.023 0.000 1.022 1068 V HN 0.744 nan 8.190 nan 0.000 0.427 1069 G N 1.701 110.483 108.800 -0.030 0.000 2.699 1069 G HA2 0.347 4.307 3.960 0.000 0.000 0.246 1069 G HA3 0.347 4.307 3.960 0.000 0.000 0.246 1069 G C 1.069 175.919 174.900 -0.083 0.000 1.219 1069 G CA 0.190 45.259 45.100 -0.052 0.000 0.866 1069 G HN 1.731 nan 8.290 nan 0.000 0.572 1070 S N -0.925 114.712 115.700 -0.105 0.000 2.474 1070 S HA -0.032 4.438 4.470 0.000 0.000 0.235 1070 S C 1.297 175.798 174.600 -0.166 0.000 0.997 1070 S CA 1.216 59.351 58.200 -0.109 0.000 0.949 1070 S CB 0.112 63.259 63.200 -0.089 0.000 0.766 1070 S HN 0.533 nan 8.310 nan 0.000 0.517 1071 E N 1.018 121.035 120.200 -0.304 0.000 2.481 1071 E HA 0.265 4.615 4.350 0.000 0.000 0.198 1071 E C -0.262 176.190 176.600 -0.246 0.000 1.027 1071 E CA -0.060 56.092 56.400 -0.414 0.000 0.900 1071 E CB 0.608 29.682 29.700 -1.044 0.000 0.993 1071 E HN 0.366 nan 8.360 nan 0.000 0.482 1072 V N 3.092 122.930 119.914 -0.127 0.000 2.470 1072 V HA 0.012 4.132 4.120 0.000 0.000 0.276 1072 V C 1.247 177.355 176.094 0.023 0.000 1.040 1072 V CA 0.312 62.621 62.300 0.015 0.000 1.008 1072 V CB 0.972 32.831 31.823 0.060 0.000 0.990 1072 V HN 0.004 nan 8.190 nan 0.000 0.477 1073 K N 2.300 122.727 120.400 0.046 0.000 2.350 1073 K HA 0.156 4.477 4.320 0.000 0.000 0.196 1073 K C 0.734 177.313 176.600 -0.035 0.000 1.084 1073 K CA 0.323 56.613 56.287 0.005 0.000 0.967 1073 K CB 0.287 32.789 32.500 0.003 0.000 0.950 1073 K HN 0.542 nan 8.250 nan 0.000 0.512 1074 D N -0.284 120.087 120.400 -0.047 0.000 2.360 1074 D HA 0.141 4.781 4.640 0.000 0.000 0.210 1074 D C -0.314 175.613 176.300 -0.621 0.000 1.047 1074 D CA 0.259 54.078 54.000 -0.301 0.000 0.854 1074 D CB 0.229 40.806 40.800 -0.371 0.000 0.936 1074 D HN -0.007 nan 8.370 nan 0.000 0.514 1075 F N 0.502 120.456 119.950 0.007 0.000 2.588 1075 F HA 0.408 4.935 4.527 0.001 0.000 0.314 1075 F C 0.222 176.020 175.800 -0.003 0.000 1.069 1075 F CA -1.081 56.923 58.000 0.006 0.000 0.931 1075 F CB 2.004 41.013 39.000 0.016 0.000 1.260 1075 F HN -0.381 nan 8.300 nan 0.000 0.465 1076 K N 0.204 120.707 120.400 0.171 0.000 2.548 1076 K HA 0.644 4.965 4.320 0.000 0.000 0.282 1076 K C -3.380 173.265 176.600 0.075 0.000 1.006 1076 K CA -2.367 53.971 56.287 0.086 0.000 0.892 1076 K CB 1.691 34.212 32.500 0.035 0.000 1.499 1076 K HN 0.083 nan 8.250 nan 0.000 0.433 1077 P HA 0.006 nan 4.420 nan 0.000 0.264 1077 P C 0.528 177.847 177.300 0.031 0.000 1.183 1077 P CA 1.538 64.654 63.100 0.026 0.000 0.763 1077 P CB 0.558 32.263 31.700 0.008 0.000 0.807 1078 G N 1.989 110.808 108.800 0.032 0.000 2.279 1078 G HA2 -0.183 3.778 3.960 0.000 0.000 0.223 1078 G HA3 -0.183 3.778 3.960 0.000 0.000 0.223 1078 G C -0.085 174.843 174.900 0.047 0.000 1.015 1078 G CA -0.370 44.749 45.100 0.032 0.000 0.621 1078 G HN 0.509 nan 8.290 nan 0.000 0.506 1079 D N 2.010 122.453 120.400 0.073 0.000 2.455 1079 D HA 0.359 4.999 4.640 0.000 0.000 0.241 1079 D C 0.895 177.253 176.300 0.097 0.000 1.138 1079 D CA 0.214 54.278 54.000 0.106 0.000 0.877 1079 D CB 0.480 41.401 40.800 0.202 0.000 1.187 1079 D HN 0.301 nan 8.370 nan 0.000 0.451 1080 R N 1.617 122.171 120.500 0.090 0.000 2.254 1080 R HA 0.422 4.762 4.340 0.000 0.000 0.318 1080 R C -0.094 176.268 176.300 0.103 0.000 1.031 1080 R CA -0.692 55.454 56.100 0.076 0.000 0.905 1080 R CB 0.720 31.056 30.300 0.061 0.000 1.050 1080 R HN 0.272 nan 8.270 nan 0.000 0.456 1081 V N -0.045 119.922 119.914 0.088 0.000 2.962 1081 V HA 0.620 4.741 4.120 0.000 0.000 0.313 1081 V C -0.040 176.102 176.094 0.081 0.000 1.099 1081 V CA -1.210 61.144 62.300 0.090 0.000 0.971 1081 V CB 2.290 34.131 31.823 0.030 0.000 1.028 1081 V HN 0.595 nan 8.190 nan 0.000 0.430 1082 I N 2.570 123.186 120.570 0.076 0.000 2.331 1082 I HA 0.493 4.664 4.170 0.000 0.000 0.292 1082 I C -0.589 175.573 176.117 0.074 0.000 0.998 1082 I CA -0.778 60.565 61.300 0.071 0.000 1.267 1082 I CB 1.886 39.922 38.000 0.059 0.000 1.386 1082 I HN 0.471 nan 8.210 nan 0.000 0.476 1083 V N 8.675 128.647 119.914 0.097 0.000 2.313 1083 V HA 0.279 4.400 4.120 0.000 0.000 0.278 1083 V C -2.004 174.163 176.094 0.122 0.000 1.017 1083 V CA -1.752 60.628 62.300 0.134 0.000 0.823 1083 V CB 1.020 32.968 31.823 0.208 0.000 1.010 1083 V HN 0.589 nan 8.190 nan 0.000 0.443 1084 P HA 0.042 nan 4.420 nan 0.000 0.268 1084 P C 1.212 178.602 177.300 0.151 0.000 1.204 1084 P CA -0.097 63.062 63.100 0.098 0.000 0.768 1084 P CB 0.979 32.730 31.700 0.084 0.000 0.842 1085 C N 1.043 120.420 119.300 0.128 0.000 2.410 1085 C HA -0.020 4.440 4.460 0.000 0.000 0.281 1085 C C 1.065 176.170 174.990 0.192 0.000 1.318 1085 C CA 0.538 59.686 59.018 0.217 0.000 1.776 1085 C CB -1.950 25.867 27.740 0.128 0.000 1.942 1085 C HN 0.513 nan 8.230 nan 0.000 0.508 1086 T N 2.403 116.996 114.554 0.065 0.000 2.753 1086 T HA 0.462 4.812 4.350 0.000 0.000 0.297 1086 T C 0.256 174.953 174.700 -0.005 0.000 0.981 1086 T CA 0.413 62.520 62.100 0.012 0.000 0.956 1086 T CB 0.765 69.598 68.868 -0.059 0.000 0.936 1086 T HN 0.650 nan 8.240 nan 0.000 0.463 1087 T N 2.152 116.656 114.554 -0.084 0.000 3.250 1087 T HA 0.459 4.809 4.350 0.000 0.000 0.391 1087 T C -2.898 171.709 174.700 -0.155 0.000 1.502 1087 T CA -2.280 59.774 62.100 -0.077 0.000 1.320 1087 T CB 0.471 69.248 68.868 -0.152 0.000 1.102 1087 T HN 0.140 nan 8.240 nan 0.000 0.610 1088 P HA 0.224 nan 4.420 nan 0.000 0.270 1088 P C -0.442 176.551 177.300 -0.512 0.000 1.223 1088 P CA -0.242 62.549 63.100 -0.514 0.000 0.785 1088 P CB 0.503 31.598 31.700 -1.009 0.000 0.923 1089 D N 1.154 121.307 120.400 -0.412 0.000 2.396 1089 D HA 0.056 4.697 4.640 0.000 0.000 0.225 1089 D C 0.510 176.619 176.300 -0.319 0.000 1.121 1089 D CA -0.033 53.830 54.000 -0.229 0.000 0.853 1089 D CB 0.288 41.016 40.800 -0.120 0.000 1.043 1089 D HN 0.437 nan 8.370 nan 0.000 0.500 1090 W N 1.503 122.792 121.300 -0.020 0.000 2.465 1090 W HA -0.052 4.608 4.660 0.001 0.000 0.268 1090 W C 1.253 177.760 176.519 -0.020 0.000 1.242 1090 W CA -0.071 57.264 57.345 -0.017 0.000 1.248 1090 W CB 0.092 29.541 29.460 -0.018 0.000 1.118 1090 W HN -0.020 nan 8.180 nan 0.000 0.587 1091 R N 1.520 122.087 120.500 0.112 0.000 3.657 1091 R HA 0.180 4.520 4.340 0.000 0.000 0.220 1091 R C -0.231 176.078 176.300 0.015 0.000 1.548 1091 R CA 0.020 56.154 56.100 0.058 0.000 1.465 1091 R CB -0.359 29.951 30.300 0.016 0.000 1.330 1091 R HN -0.112 nan 8.270 nan 0.000 0.707 1092 S N -0.825 114.885 115.700 0.016 0.000 2.579 1092 S HA 0.305 4.776 4.470 0.000 0.000 0.272 1092 S C 0.691 175.303 174.600 0.021 0.000 1.141 1092 S CA -1.008 57.191 58.200 -0.002 0.000 0.843 1092 S CB 1.223 64.401 63.200 -0.038 0.000 1.122 1092 S HN 0.287 nan 8.310 nan 0.000 0.468 1093 L N 0.542 121.778 121.223 0.021 0.000 2.201 1093 L HA -0.032 4.309 4.340 0.000 0.000 0.212 1093 L C 2.267 179.172 176.870 0.058 0.000 1.105 1093 L CA 1.213 56.075 54.840 0.036 0.000 0.775 1093 L CB -0.614 41.461 42.059 0.026 0.000 0.913 1093 L HN 0.711 nan 8.230 nan 0.000 0.440 1094 E N -0.118 120.115 120.200 0.055 0.000 2.106 1094 E HA -0.152 4.198 4.350 0.000 0.000 0.192 1094 E C 2.283 178.954 176.600 0.118 0.000 0.984 1094 E CA 0.895 57.357 56.400 0.104 0.000 0.806 1094 E CB -0.206 29.554 29.700 0.100 0.000 0.750 1094 E HN 0.156 nan 8.360 nan 0.000 0.458 1095 V N 0.972 120.918 119.914 0.053 0.000 2.358 1095 V HA -0.270 3.850 4.120 0.000 0.000 0.246 1095 V C 2.091 178.247 176.094 0.103 0.000 1.047 1095 V CA 1.761 64.098 62.300 0.063 0.000 1.035 1095 V CB -0.440 31.425 31.823 0.070 0.000 0.658 1095 V HN 0.303 nan 8.190 nan 0.000 0.452 1096 Q N -0.391 119.463 119.800 0.091 0.000 2.291 1096 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 1096 Q C 2.109 178.160 176.000 0.085 0.000 0.976 1096 Q CA 1.472 57.324 55.803 0.082 0.000 0.875 1096 Q CB -0.225 28.553 28.738 0.066 0.000 0.927 1096 Q HN 0.679 nan 8.270 nan 0.000 0.450 1097 A N -0.418 122.471 122.820 0.114 0.000 2.238 1097 A HA 0.341 4.661 4.320 0.000 0.000 0.210 1097 A C 1.389 179.068 177.584 0.158 0.000 1.179 1097 A CA 0.753 52.884 52.037 0.157 0.000 0.827 1097 A CB 0.195 19.319 19.000 0.206 0.000 0.856 1097 A HN 0.408 nan 8.150 nan 0.000 0.488 1098 G N -2.123 106.711 108.800 0.057 0.000 2.144 1098 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 1098 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 1098 G C -0.168 174.433 174.900 -0.499 0.000 0.988 1098 G CA 0.026 45.017 45.100 -0.181 0.000 0.659 1098 G HN 0.414 nan 8.290 nan 0.000 0.522 1099 F N 1.268 121.259 119.950 0.068 0.000 2.686 1099 F HA 0.364 4.891 4.527 0.001 0.000 0.365 1099 F C 1.503 177.276 175.800 -0.045 0.000 1.196 1099 F CA -0.331 57.709 58.000 0.066 0.000 1.198 1099 F CB 1.026 40.134 39.000 0.179 0.000 1.454 1099 F HN 0.217 nan 8.300 nan 0.000 0.539 1100 Q N -0.169 119.595 119.800 -0.060 0.000 2.135 1100 Q HA -0.260 4.080 4.340 0.000 0.000 0.204 1100 Q C 1.195 177.003 176.000 -0.319 0.000 0.981 1100 Q CA 1.848 57.466 55.803 -0.308 0.000 0.856 1100 Q CB -0.279 28.196 28.738 -0.437 0.000 0.902 1100 Q HN 0.536 nan 8.270 nan 0.000 0.425 1101 Q N 0.275 119.904 119.800 -0.284 0.000 2.297 1101 Q HA -0.126 4.214 4.340 0.000 0.000 0.208 1101 Q C 0.307 175.948 176.000 -0.598 0.000 0.981 1101 Q CA 1.532 57.061 55.803 -0.457 0.000 0.876 1101 Q CB 0.007 28.412 28.738 -0.555 0.000 0.921 1101 Q HN 0.727 nan 8.270 nan 0.000 0.446 1102 H N -1.068 118.010 119.070 0.012 0.000 2.467 1102 H HA 0.242 4.798 4.556 0.000 0.000 0.275 1102 H C -0.437 174.872 175.328 -0.031 0.000 1.131 1102 H CA -0.303 55.746 56.048 0.002 0.000 0.989 1102 H CB 0.404 30.172 29.762 0.010 0.000 1.696 1102 H HN 0.055 nan 8.280 nan 0.000 0.574 1103 S N 1.304 116.971 115.700 -0.054 0.000 2.555 1103 S HA -0.067 4.403 4.470 0.000 0.000 0.293 1103 S C 0.674 175.246 174.600 -0.048 0.000 1.248 1103 S CA -0.546 57.601 58.200 -0.088 0.000 1.096 1103 S CB 0.073 63.139 63.200 -0.223 0.000 0.881 1103 S HN 0.610 nan 8.310 nan 0.000 0.498 1104 N N 1.336 120.017 118.700 -0.031 0.000 2.741 1104 N HA -0.129 4.611 4.740 0.000 0.000 0.250 1104 N C 0.275 175.759 175.510 -0.042 0.000 1.115 1104 N CA 1.502 54.527 53.050 -0.042 0.000 0.724 1104 N CB -1.616 36.832 38.487 -0.064 0.000 1.090 1104 N HN 1.619 nan 8.380 nan 0.000 0.558 1105 G N -0.427 108.371 108.800 -0.003 0.000 2.326 1105 G HA2 0.110 4.070 3.960 0.000 0.000 0.478 1105 G HA3 0.110 4.070 3.960 0.000 0.000 0.478 1105 G C -0.375 174.571 174.900 0.075 0.000 1.551 1105 G CA -0.321 44.779 45.100 -0.001 0.000 0.946 1105 G HN 0.265 nan 8.290 nan 0.000 0.671 1106 M N 2.492 122.120 119.600 0.047 0.000 2.338 1106 M HA 0.286 4.766 4.480 0.000 0.000 0.360 1106 M C 1.423 177.862 176.300 0.233 0.000 1.547 1106 M CA 0.850 56.209 55.300 0.099 0.000 1.001 1106 M CB -0.380 32.204 32.600 -0.027 0.000 2.008 1106 M HN 1.154 nan 8.290 nan 0.000 0.464 1107 L N 3.038 124.560 121.223 0.499 0.000 4.813 1107 L HA -0.344 3.996 4.340 0.000 0.000 0.434 1107 L C 1.347 178.333 176.870 0.193 0.000 1.106 1107 L CA 0.612 55.623 54.840 0.284 0.000 0.991 1107 L CB -2.283 39.931 42.059 0.259 0.000 2.005 1107 L HN 0.926 nan 8.230 nan 0.000 0.817 1108 A N 0.187 123.110 122.820 0.170 0.000 2.216 1108 A HA 0.182 4.502 4.320 0.000 0.000 0.214 1108 A C 2.110 179.753 177.584 0.100 0.000 1.160 1108 A CA 1.608 53.770 52.037 0.207 0.000 0.725 1108 A CB -0.483 18.567 19.000 0.083 0.000 0.784 1108 A HN 0.591 nan 8.150 nan 0.000 0.472 1109 G N -1.520 107.269 108.800 -0.018 0.000 2.448 1109 G HA2 -0.067 3.893 3.960 0.000 0.000 0.218 1109 G HA3 -0.067 3.893 3.960 0.000 0.000 0.218 1109 G C 0.437 175.288 174.900 -0.082 0.000 1.135 1109 G CA 0.495 45.523 45.100 -0.120 0.000 0.784 1109 G HN 0.615 nan 8.290 nan 0.000 0.543 1110 W N 2.236 123.388 121.300 -0.247 0.000 2.311 1110 W HA 0.593 5.253 4.660 0.000 0.000 0.317 1110 W C 0.765 176.991 176.519 -0.488 0.000 1.065 1110 W CA -1.731 55.417 57.345 -0.328 0.000 1.364 1110 W CB 0.752 30.027 29.460 -0.309 0.000 1.233 1110 W HN -0.064 nan 8.180 nan 0.000 0.409 1111 K N 4.080 123.986 120.400 -0.823 0.000 2.190 1111 K HA 0.092 4.412 4.320 0.000 0.000 0.202 1111 K C 0.195 176.108 176.600 -1.145 0.000 1.045 1111 K CA 0.103 55.577 56.287 -1.355 0.000 0.976 1111 K CB -0.196 31.712 32.500 -0.986 0.000 0.849 1111 K HN 0.042 nan 8.250 nan 0.000 0.468 1112 F N 2.538 122.135 119.950 -0.588 0.000 2.571 1112 F HA -0.108 4.420 4.527 0.000 0.000 0.390 1112 F C 1.446 177.026 175.800 -0.368 0.000 1.043 1112 F CA 0.568 58.348 58.000 -0.367 0.000 1.164 1112 F CB 0.111 39.023 39.000 -0.146 0.000 1.049 1112 F HN 0.206 nan 8.300 nan 0.000 0.552 1113 S N 0.968 116.578 115.700 -0.151 0.000 2.857 1113 S HA -0.316 4.155 4.470 0.000 0.000 0.268 1113 S C 1.583 175.949 174.600 -0.389 0.000 1.297 1113 S CA 1.367 59.500 58.200 -0.112 0.000 1.280 1113 S CB -1.438 61.921 63.200 0.265 0.000 1.562 1113 S HN 0.815 nan 8.310 nan 0.000 0.661 1114 N N 0.693 118.818 118.700 -0.958 0.000 2.413 1114 N HA 0.291 5.031 4.740 0.000 0.000 0.193 1114 N C 1.065 176.254 175.510 -0.535 0.000 1.043 1114 N CA 1.690 54.020 53.050 -1.199 0.000 0.910 1114 N CB -0.284 36.988 38.487 -2.025 0.000 1.111 1114 N HN 0.762 nan 8.380 nan 0.000 0.452 1115 F N -1.911 117.778 119.950 -0.434 0.000 2.974 1115 F HA 0.542 5.069 4.527 0.000 0.000 0.357 1115 F C -0.086 175.595 175.800 -0.198 0.000 1.114 1115 F CA -0.770 57.072 58.000 -0.262 0.000 1.099 1115 F CB -0.370 38.488 39.000 -0.238 0.000 1.205 1115 F HN -0.158 nan 8.300 nan 0.000 0.535 1116 K N 1.736 121.897 120.400 -0.398 0.000 2.259 1116 K HA 0.236 4.556 4.320 0.000 0.000 0.252 1116 K C -0.734 175.825 176.600 -0.069 0.000 0.936 1116 K CA -0.702 55.482 56.287 -0.171 0.000 0.810 1116 K CB 1.117 33.423 32.500 -0.324 0.000 1.143 1116 K HN -0.091 nan 8.250 nan 0.000 0.427 1117 D N 2.173 122.593 120.400 0.035 0.000 2.533 1117 D HA -0.009 4.631 4.640 0.000 0.000 0.236 1117 D C 0.460 176.837 176.300 0.129 0.000 1.137 1117 D CA 0.626 54.668 54.000 0.071 0.000 0.867 1117 D CB 1.019 41.886 40.800 0.111 0.000 1.170 1117 D HN 0.721 nan 8.370 nan 0.000 0.474 1118 G N 0.310 109.112 108.800 0.004 0.000 2.516 1118 G HA2 0.252 4.212 3.960 0.000 0.000 0.276 1118 G HA3 0.252 4.212 3.960 0.000 0.000 0.276 1118 G C 1.177 175.861 174.900 -0.361 0.000 1.390 1118 G CA -0.111 44.880 45.100 -0.181 0.000 1.050 1118 G HN 0.381 nan 8.290 nan 0.000 0.519 1119 V N -3.170 116.309 119.914 -0.724 0.000 3.623 1119 V HA 0.291 4.411 4.120 0.000 0.000 0.271 1119 V C 0.800 176.936 176.094 0.070 0.000 1.248 1119 V CA 0.296 62.194 62.300 -0.670 0.000 1.156 1119 V CB -0.764 30.393 31.823 -1.109 0.000 0.870 1119 V HN 0.305 nan 8.190 nan 0.000 0.453 1120 F N 2.997 122.932 119.950 -0.025 0.000 2.859 1120 F HA 0.733 5.260 4.527 0.000 0.000 0.315 1120 F C 1.133 177.068 175.800 0.225 0.000 1.207 1120 F CA -0.708 57.319 58.000 0.045 0.000 1.370 1120 F CB -0.531 38.408 39.000 -0.102 0.000 1.314 1120 F HN 0.320 nan 8.300 nan 0.000 0.555 1121 G N -0.637 108.523 108.800 0.600 0.000 2.642 1121 G HA2 0.335 4.295 3.960 0.000 0.000 0.293 1121 G HA3 0.335 4.295 3.960 0.000 0.000 0.293 1121 G C 0.469 175.631 174.900 0.437 0.000 1.341 1121 G CA -0.558 44.895 45.100 0.589 0.000 0.916 1121 G HN 0.194 nan 8.290 nan 0.000 0.474 1122 E N -0.958 119.342 120.200 0.165 0.000 2.160 1122 E HA -0.083 4.267 4.350 0.000 0.000 0.195 1122 E C -0.480 175.741 176.600 -0.633 0.000 0.991 1122 E CA 1.341 57.493 56.400 -0.413 0.000 0.810 1122 E CB -0.033 29.440 29.700 -0.378 0.000 0.742 1122 E HN 0.463 nan 8.360 nan 0.000 0.466 1123 Y N -1.189 119.154 120.300 0.072 0.000 2.544 1123 Y HA 0.362 4.912 4.550 0.000 0.000 0.342 1123 Y C -0.632 175.343 175.900 0.126 0.000 1.062 1123 Y CA -1.577 56.512 58.100 -0.019 0.000 1.023 1123 Y CB 1.412 39.856 38.460 -0.027 0.000 1.308 1123 Y HN -0.119 nan 8.280 nan 0.000 0.457 1124 F N -0.891 119.201 119.950 0.237 0.000 2.613 1124 F HA 0.609 5.136 4.527 0.000 0.000 0.314 1124 F C -1.150 174.809 175.800 0.265 0.000 1.075 1124 F CA -1.117 57.004 58.000 0.201 0.000 0.945 1124 F CB 1.497 40.513 39.000 0.027 0.000 1.310 1124 F HN 0.528 nan 8.300 nan 0.000 0.467 1125 H N 1.437 120.823 119.070 0.526 0.000 2.467 1125 H HA 0.660 5.217 4.556 0.000 0.000 0.326 1125 H C -1.647 173.984 175.328 0.505 0.000 1.094 1125 H CA -0.594 55.681 56.048 0.378 0.000 1.253 1125 H CB 1.846 31.753 29.762 0.242 0.000 1.439 1125 H HN 0.628 nan 8.280 nan 0.000 0.479 1126 V N 7.525 127.523 119.914 0.140 0.000 2.350 1126 V HA 0.080 4.200 4.120 0.000 0.000 0.285 1126 V C 0.162 176.233 176.094 -0.039 0.000 1.014 1126 V CA -1.110 61.314 62.300 0.207 0.000 0.831 1126 V CB 1.089 33.038 31.823 0.210 0.000 1.000 1126 V HN 0.818 nan 8.190 nan 0.000 0.433 1127 N N 3.606 122.388 118.700 0.137 0.000 2.518 1127 N HA 0.033 4.773 4.740 0.000 0.000 0.266 1127 N C 0.041 175.623 175.510 0.120 0.000 1.196 1127 N CA -0.167 52.991 53.050 0.181 0.000 0.947 1127 N CB 0.824 39.422 38.487 0.184 0.000 1.098 1127 N HN 0.688 nan 8.380 nan 0.000 0.450 1128 D N 0.247 120.736 120.400 0.149 0.000 3.038 1128 D HA -0.199 4.442 4.640 0.000 0.000 0.229 1128 D C 1.038 177.421 176.300 0.138 0.000 1.182 1128 D CA 0.718 54.827 54.000 0.180 0.000 0.852 1128 D CB -0.708 40.215 40.800 0.204 0.000 0.932 1128 D HN 0.729 nan 8.370 nan 0.000 0.406 1129 A N 2.706 125.584 122.820 0.096 0.000 1.892 1129 A HA -0.263 4.057 4.320 0.000 0.000 0.218 1129 A C 1.873 179.484 177.584 0.044 0.000 1.188 1129 A CA 2.074 54.106 52.037 -0.008 0.000 0.631 1129 A CB -0.145 18.857 19.000 0.003 0.000 0.822 1129 A HN 0.511 nan 8.150 nan 0.000 0.447 1130 D N -0.901 119.649 120.400 0.251 0.000 2.218 1130 D HA -0.098 4.542 4.640 0.000 0.000 0.204 1130 D C 1.756 178.187 176.300 0.218 0.000 0.976 1130 D CA 1.051 55.269 54.000 0.362 0.000 0.853 1130 D CB -0.175 40.779 40.800 0.257 0.000 0.939 1130 D HN 0.336 nan 8.370 nan 0.000 0.481 1131 M N -0.349 119.323 119.600 0.120 0.000 2.510 1131 M HA 0.068 4.548 4.480 0.000 0.000 0.256 1131 M C 0.572 176.927 176.300 0.092 0.000 1.132 1131 M CA 0.529 55.824 55.300 -0.007 0.000 1.105 1131 M CB 0.082 32.647 32.600 -0.058 0.000 1.375 1131 M HN -0.104 nan 8.290 nan 0.000 0.477 1132 N N 0.262 119.039 118.700 0.130 0.000 2.238 1132 N HA 0.362 5.102 4.740 0.000 0.000 0.235 1132 N C -0.417 175.104 175.510 0.019 0.000 1.209 1132 N CA 0.142 53.276 53.050 0.139 0.000 0.879 1132 N CB 1.810 40.402 38.487 0.175 0.000 1.136 1132 N HN 0.251 nan 8.380 nan 0.000 0.517 1133 L N 0.059 121.214 121.223 -0.115 0.000 2.333 1133 L HA 0.860 5.201 4.340 0.000 0.000 0.263 1133 L C -0.677 176.181 176.870 -0.020 0.000 1.014 1133 L CA -1.023 53.651 54.840 -0.276 0.000 0.820 1133 L CB 2.214 43.708 42.059 -0.943 0.000 1.352 1133 L HN -0.136 nan 8.230 nan 0.000 0.421 1134 A N 1.660 124.523 122.820 0.070 0.000 2.486 1134 A HA 0.676 4.996 4.320 0.000 0.000 0.300 1134 A C -0.900 176.833 177.584 0.248 0.000 1.048 1134 A CA -0.549 51.627 52.037 0.232 0.000 0.696 1134 A CB 1.358 20.436 19.000 0.131 0.000 1.278 1134 A HN 0.441 nan 8.150 nan 0.000 0.405 1135 I N 2.038 122.777 120.570 0.282 0.000 2.648 1135 I HA 0.055 4.226 4.170 0.000 0.000 0.284 1135 I C 0.189 176.374 176.117 0.114 0.000 1.153 1135 I CA -0.088 61.335 61.300 0.205 0.000 1.426 1135 I CB 0.804 38.881 38.000 0.128 0.000 1.381 1135 I HN 0.665 nan 8.210 nan 0.000 0.571 1136 L N 9.901 131.181 121.223 0.095 0.000 2.313 1136 L HA 0.432 4.772 4.340 0.000 0.000 0.282 1136 L C -2.300 174.595 176.870 0.042 0.000 1.092 1136 L CA -1.217 53.660 54.840 0.061 0.000 0.831 1136 L CB 0.454 42.548 42.059 0.059 0.000 1.159 1136 L HN 0.318 nan 8.230 nan 0.000 0.442 1137 P HA 0.030 nan 4.420 nan 0.000 0.265 1137 P C 0.101 177.408 177.300 0.012 0.000 1.193 1137 P CA -0.035 63.070 63.100 0.008 0.000 0.765 1137 P CB 0.550 32.242 31.700 -0.013 0.000 0.823 1138 K N 2.796 123.202 120.400 0.010 0.000 2.160 1138 K HA -0.202 4.118 4.320 0.000 0.000 0.206 1138 K C 0.431 177.038 176.600 0.011 0.000 1.047 1138 K CA 1.644 57.939 56.287 0.013 0.000 0.930 1138 K CB -0.081 32.425 32.500 0.010 0.000 0.720 1138 K HN 0.388 nan 8.250 nan 0.000 0.450 1139 D N 0.237 120.640 120.400 0.006 0.000 2.340 1139 D HA 0.000 4.641 4.640 0.000 0.000 0.217 1139 D C 0.115 176.420 176.300 0.009 0.000 1.081 1139 D CA 0.136 54.140 54.000 0.007 0.000 0.842 1139 D CB 0.229 41.031 40.800 0.003 0.000 0.934 1139 D HN 0.318 nan 8.370 nan 0.000 0.511 1140 M N 2.108 121.713 119.600 0.009 0.000 2.120 1140 M HA 0.250 4.730 4.480 0.000 0.000 0.354 1140 M C -2.510 173.801 176.300 0.018 0.000 1.287 1140 M CA -1.445 53.863 55.300 0.012 0.000 1.103 1140 M CB 1.208 33.813 32.600 0.010 0.000 1.623 1140 M HN -0.367 nan 8.290 nan 0.000 0.471 1141 P HA -0.024 nan 4.420 nan 0.000 0.262 1141 P C 0.380 177.693 177.300 0.022 0.000 1.182 1141 P CA 0.108 63.221 63.100 0.021 0.000 0.761 1141 P CB 0.505 32.217 31.700 0.019 0.000 0.795 1142 L N 2.372 123.610 121.223 0.024 0.000 2.042 1142 L HA -0.250 4.090 4.340 0.000 0.000 0.210 1142 L C 1.885 178.766 176.870 0.019 0.000 1.076 1142 L CA 1.780 56.635 54.840 0.025 0.000 0.749 1142 L CB -0.723 41.352 42.059 0.026 0.000 0.893 1142 L HN 0.395 nan 8.230 nan 0.000 0.432 1143 E N -0.083 120.123 120.200 0.009 0.000 2.153 1143 E HA -0.175 4.175 4.350 0.000 0.000 0.194 1143 E C 1.849 178.457 176.600 0.013 0.000 0.988 1143 E CA 1.011 57.414 56.400 0.005 0.000 0.811 1143 E CB -0.337 29.358 29.700 -0.009 0.000 0.746 1143 E HN 0.405 nan 8.360 nan 0.000 0.466 1144 N N 0.701 119.412 118.700 0.017 0.000 2.106 1144 N HA -0.044 4.696 4.740 0.000 0.000 0.188 1144 N C 1.694 177.213 175.510 0.016 0.000 1.029 1144 N CA 1.520 54.584 53.050 0.023 0.000 0.848 1144 N CB -0.614 37.890 38.487 0.029 0.000 1.007 1144 N HN 0.250 nan 8.380 nan 0.000 0.423 1145 A N 0.676 123.506 122.820 0.017 0.000 1.940 1145 A HA -0.108 4.213 4.320 0.000 0.000 0.219 1145 A C 2.362 179.953 177.584 0.011 0.000 1.176 1145 A CA 1.372 53.418 52.037 0.015 0.000 0.631 1145 A CB -0.862 18.152 19.000 0.025 0.000 0.814 1145 A HN 0.117 nan 8.150 nan 0.000 0.446 1146 V N 0.065 119.989 119.914 0.015 0.000 2.568 1146 V HA -0.280 3.840 4.120 0.000 0.000 0.253 1146 V C 2.477 178.569 176.094 -0.003 0.000 1.072 1146 V CA 1.825 64.133 62.300 0.013 0.000 1.084 1146 V CB -0.710 31.125 31.823 0.020 0.000 0.676 1146 V HN 0.529 nan 8.190 nan 0.000 0.469 1147 M N -1.065 118.530 119.600 -0.008 0.000 2.476 1147 M HA 0.007 4.487 4.480 0.000 0.000 0.262 1147 M C 2.027 178.290 176.300 -0.062 0.000 1.079 1147 M CA 1.482 56.766 55.300 -0.026 0.000 1.104 1147 M CB -0.807 31.784 32.600 -0.014 0.000 1.409 1147 M HN 0.339 nan 8.290 nan 0.000 0.467 1148 I N 0.224 120.761 120.570 -0.055 0.000 2.353 1148 I HA -0.228 3.942 4.170 0.000 0.000 0.248 1148 I C 2.444 178.522 176.117 -0.064 0.000 1.119 1148 I CA 1.631 62.882 61.300 -0.081 0.000 1.417 1148 I CB -0.661 37.310 38.000 -0.048 0.000 1.078 1148 I HN 0.353 nan 8.210 nan 0.000 0.421 1149 T N -2.453 112.085 114.554 -0.027 0.000 2.849 1149 T HA -0.226 4.124 4.350 0.000 0.000 0.270 1149 T C 1.374 176.068 174.700 -0.010 0.000 1.066 1149 T CA 1.990 64.088 62.100 -0.003 0.000 1.130 1149 T CB 0.001 68.878 68.868 0.015 0.000 0.864 1149 T HN 0.361 nan 8.240 nan 0.000 0.481 1150 D N -0.955 119.426 120.400 -0.031 0.000 2.690 1150 D HA 0.162 4.802 4.640 0.000 0.000 0.235 1150 D C 1.893 178.156 176.300 -0.062 0.000 1.327 1150 D CA 0.011 53.988 54.000 -0.037 0.000 1.264 1150 D CB -0.289 40.521 40.800 0.018 0.000 1.574 1150 D HN 0.065 nan 8.370 nan 0.000 0.421 1151 M N 0.663 120.227 119.600 -0.059 0.000 2.065 1151 M HA -0.065 4.415 4.480 0.000 0.000 0.259 1151 M C 2.422 178.648 176.300 -0.123 0.000 1.069 1151 M CA 1.394 56.654 55.300 -0.068 0.000 1.110 1151 M CB -1.162 31.405 32.600 -0.055 0.000 1.328 1151 M HN 0.241 nan 8.290 nan 0.000 0.405 1152 M N -0.782 118.691 119.600 -0.211 0.000 2.099 1152 M HA -0.183 4.297 4.480 0.000 0.000 0.262 1152 M C 2.274 178.321 176.300 -0.422 0.000 1.067 1152 M CA 1.932 56.959 55.300 -0.454 0.000 1.124 1152 M CB -0.248 32.032 32.600 -0.533 0.000 1.353 1152 M HN 0.351 nan 8.290 nan 0.000 0.410 1153 T N -0.495 113.927 114.554 -0.220 0.000 2.867 1153 T HA -0.112 4.238 4.350 0.000 0.000 0.268 1153 T C 1.459 176.164 174.700 0.009 0.000 1.057 1153 T CA 2.079 64.123 62.100 -0.094 0.000 1.136 1153 T CB -0.232 68.590 68.868 -0.076 0.000 0.874 1153 T HN 0.510 nan 8.240 nan 0.000 0.466 1154 T N 0.332 114.879 114.554 -0.012 0.000 2.732 1154 T HA 0.101 4.451 4.350 0.000 0.000 0.261 1154 T C 2.075 176.849 174.700 0.124 0.000 1.040 1154 T CA 1.188 63.315 62.100 0.045 0.000 1.145 1154 T CB -0.994 67.866 68.868 -0.014 0.000 0.866 1154 T HN 0.497 nan 8.240 nan 0.000 0.427 1155 G N 0.868 109.729 108.800 0.101 0.000 2.440 1155 G HA2 -0.166 3.795 3.960 0.000 0.000 0.218 1155 G HA3 -0.166 3.795 3.960 0.000 0.000 0.218 1155 G C 1.249 176.336 174.900 0.311 0.000 1.154 1155 G CA 0.447 45.647 45.100 0.167 0.000 0.767 1155 G HN 0.365 nan 8.290 nan 0.000 0.552 1156 F N 0.374 120.341 119.950 0.028 0.000 2.234 1156 F HA 0.058 4.585 4.527 0.000 0.000 0.299 1156 F C 2.334 178.191 175.800 0.094 0.000 1.087 1156 F CA 0.734 58.760 58.000 0.043 0.000 1.340 1156 F CB -0.912 38.112 39.000 0.040 0.000 1.031 1156 F HN 0.258 nan 8.300 nan 0.000 0.500 1157 H N -0.289 118.897 119.070 0.194 0.000 2.423 1157 H HA 0.007 4.563 4.556 0.000 0.000 0.297 1157 H C 2.428 177.808 175.328 0.085 0.000 1.075 1157 H CA 1.357 57.473 56.048 0.112 0.000 1.342 1157 H CB -0.633 29.175 29.762 0.077 0.000 1.395 1157 H HN 0.198 nan 8.280 nan 0.000 0.530 1158 G N -0.206 108.647 108.800 0.089 0.000 2.440 1158 G HA2 -0.260 3.701 3.960 0.000 0.000 0.218 1158 G HA3 -0.260 3.701 3.960 0.000 0.000 0.218 1158 G C 1.892 176.779 174.900 -0.022 0.000 1.154 1158 G CA 0.954 46.058 45.100 0.007 0.000 0.767 1158 G HN 0.577 nan 8.290 nan 0.000 0.552 1159 A N 0.636 123.455 122.820 -0.001 0.000 1.968 1159 A HA 0.084 4.404 4.320 0.000 0.000 0.217 1159 A C 2.150 179.706 177.584 -0.047 0.000 1.169 1159 A CA 1.768 53.781 52.037 -0.041 0.000 0.638 1159 A CB -0.257 18.685 19.000 -0.098 0.000 0.812 1159 A HN 0.458 nan 8.150 nan 0.000 0.446 1160 E N 0.026 120.207 120.200 -0.032 0.000 2.028 1160 E HA -0.113 4.238 4.350 0.000 0.000 0.191 1160 E C 1.868 178.430 176.600 -0.064 0.000 0.988 1160 E CA 1.144 57.531 56.400 -0.022 0.000 0.799 1160 E CB -0.301 29.437 29.700 0.064 0.000 0.755 1160 E HN 0.588 nan 8.360 nan 0.000 0.447 1161 L N 0.640 121.766 121.223 -0.161 0.000 2.191 1161 L HA -0.133 4.208 4.340 0.000 0.000 0.212 1161 L C 2.432 179.271 176.870 -0.052 0.000 1.103 1161 L CA 0.677 55.435 54.840 -0.136 0.000 0.769 1161 L CB -0.411 41.514 42.059 -0.223 0.000 0.908 1161 L HN 0.149 nan 8.230 nan 0.000 0.438 1162 A N -0.971 121.822 122.820 -0.045 0.000 2.172 1162 A HA -0.200 4.121 4.320 0.000 0.000 0.216 1162 A C 0.886 178.465 177.584 -0.008 0.000 1.154 1162 A CA 0.821 52.849 52.037 -0.016 0.000 0.701 1162 A CB -0.409 18.582 19.000 -0.015 0.000 0.789 1162 A HN 0.517 nan 8.150 nan 0.000 0.465 1163 D N -0.851 119.541 120.400 -0.012 0.000 2.735 1163 D HA -0.161 4.479 4.640 0.000 0.000 0.235 1163 D C -0.313 175.983 176.300 -0.007 0.000 1.175 1163 D CA 0.518 54.515 54.000 -0.005 0.000 0.683 1163 D CB -1.701 39.104 40.800 0.007 0.000 1.008 1163 D HN 0.529 nan 8.370 nan 0.000 0.416 1164 I N 0.984 121.544 120.570 -0.017 0.000 2.692 1164 I HA 0.046 4.216 4.170 0.000 0.000 0.284 1164 I C 1.413 177.519 176.117 -0.018 0.000 1.159 1164 I CA 0.323 61.611 61.300 -0.019 0.000 1.423 1164 I CB 0.574 38.555 38.000 -0.031 0.000 1.380 1164 I HN 0.095 nan 8.210 nan 0.000 0.580 1165 E N 5.250 125.441 120.200 -0.015 0.000 2.235 1165 E HA 0.396 4.746 4.350 0.000 0.000 0.265 1165 E C -0.772 175.818 176.600 -0.017 0.000 0.940 1165 E CA -1.058 55.333 56.400 -0.014 0.000 0.819 1165 E CB 1.279 30.972 29.700 -0.011 0.000 1.206 1165 E HN 0.391 nan 8.360 nan 0.000 0.409 1166 M N 1.502 121.092 119.600 -0.017 0.000 2.474 1166 M HA 0.046 4.526 4.480 0.000 0.000 0.352 1166 M C 0.916 177.207 176.300 -0.015 0.000 1.690 1166 M CA 1.033 56.322 55.300 -0.017 0.000 1.112 1166 M CB -0.828 31.763 32.600 -0.016 0.000 2.062 1166 M HN 1.006 nan 8.290 nan 0.000 0.461 1167 G N 2.940 111.731 108.800 -0.016 0.000 2.157 1167 G HA2 -0.197 3.763 3.960 0.000 0.000 0.239 1167 G HA3 -0.197 3.763 3.960 0.000 0.000 0.239 1167 G C 0.216 175.110 174.900 -0.010 0.000 0.982 1167 G CA 0.164 45.257 45.100 -0.012 0.000 0.650 1167 G HN 0.640 nan 8.290 nan 0.000 0.527 1168 S N 0.495 116.189 115.700 -0.011 0.000 2.573 1168 S HA 0.504 4.974 4.470 0.000 0.000 0.277 1168 S C 0.844 175.440 174.600 -0.006 0.000 1.346 1168 S CA 0.410 58.605 58.200 -0.008 0.000 1.034 1168 S CB 1.275 64.469 63.200 -0.009 0.000 0.879 1168 S HN 1.502 nan 8.310 nan 0.000 0.528 1169 S N 1.075 116.774 115.700 -0.002 0.000 2.480 1169 S HA 0.657 5.127 4.470 0.000 0.000 0.286 1169 S C -0.595 174.007 174.600 0.002 0.000 1.180 1169 S CA -0.740 57.460 58.200 -0.000 0.000 1.075 1169 S CB 0.719 63.920 63.200 0.002 0.000 0.996 1169 S HN 0.408 nan 8.310 nan 0.000 0.487 1170 V N 3.191 123.107 119.914 0.003 0.000 2.709 1170 V HA 0.515 4.635 4.120 0.000 0.000 0.308 1170 V C -0.610 175.489 176.094 0.009 0.000 1.062 1170 V CA -0.777 61.527 62.300 0.006 0.000 0.901 1170 V CB 1.991 33.815 31.823 0.001 0.000 1.003 1170 V HN 0.846 nan 8.190 nan 0.000 0.425 1171 V N 4.866 124.788 119.914 0.012 0.000 2.417 1171 V HA 0.479 4.600 4.120 0.000 0.000 0.291 1171 V C -0.332 175.775 176.094 0.022 0.000 1.024 1171 V CA -0.547 61.761 62.300 0.012 0.000 0.861 1171 V CB 2.062 33.889 31.823 0.006 0.000 0.985 1171 V HN 0.625 nan 8.190 nan 0.000 0.436 1172 V N 6.690 126.620 119.914 0.028 0.000 2.328 1172 V HA 0.429 4.549 4.120 0.000 0.000 0.278 1172 V C 0.075 176.199 176.094 0.050 0.000 1.021 1172 V CA -0.372 61.953 62.300 0.042 0.000 0.838 1172 V CB 1.433 33.285 31.823 0.048 0.000 0.999 1172 V HN 0.662 nan 8.190 nan 0.000 0.447 1173 I N 5.152 125.759 120.570 0.061 0.000 2.308 1173 I HA 0.583 4.753 4.170 0.000 0.000 0.293 1173 I C 0.899 177.084 176.117 0.114 0.000 1.078 1173 I CA 0.289 61.642 61.300 0.088 0.000 1.292 1173 I CB 0.528 38.591 38.000 0.105 0.000 1.423 1173 I HN 0.862 nan 8.210 nan 0.000 0.493 1174 G N 6.752 115.631 108.800 0.131 0.000 3.367 1174 G HA2 -0.096 3.865 3.960 0.000 0.000 0.686 1174 G HA3 -0.096 3.865 3.960 0.000 0.000 0.686 1174 G C -0.462 174.497 174.900 0.100 0.000 1.146 1174 G CA -0.705 44.469 45.100 0.124 0.000 0.913 1174 G HN 0.853 nan 8.290 nan 0.000 0.554 1175 I N 0.772 121.403 120.570 0.101 0.000 3.399 1175 I HA 0.579 4.750 4.170 0.000 0.000 0.345 1175 I C 0.892 177.065 176.117 0.094 0.000 1.512 1175 I CA -0.216 61.144 61.300 0.100 0.000 1.047 1175 I CB 0.321 38.386 38.000 0.108 0.000 1.552 1175 I HN 0.678 nan 8.210 nan 0.000 0.494 1176 G N 0.703 109.549 108.800 0.076 0.000 2.563 1176 G HA2 0.469 4.429 3.960 0.000 0.000 0.283 1176 G HA3 0.469 4.429 3.960 0.000 0.000 0.283 1176 G C 1.012 175.951 174.900 0.065 0.000 1.309 1176 G CA -0.003 45.135 45.100 0.064 0.000 1.022 1176 G HN 0.373 nan 8.290 nan 0.000 0.501 1177 A N -1.065 121.787 122.820 0.054 0.000 1.915 1177 A HA -0.141 4.179 4.320 0.000 0.000 0.220 1177 A C 2.557 180.154 177.584 0.022 0.000 1.198 1177 A CA 2.550 54.613 52.037 0.044 0.000 0.647 1177 A CB -0.906 18.111 19.000 0.028 0.000 0.825 1177 A HN 0.619 nan 8.150 nan 0.000 0.456 1178 V N -0.391 119.537 119.914 0.024 0.000 2.343 1178 V HA -0.169 3.951 4.120 0.000 0.000 0.247 1178 V C 2.806 178.923 176.094 0.039 0.000 1.051 1178 V CA 2.027 64.341 62.300 0.023 0.000 1.036 1178 V CB -1.464 30.375 31.823 0.026 0.000 0.654 1178 V HN 0.655 nan 8.190 nan 0.000 0.451 1179 G N -0.431 108.399 108.800 0.051 0.000 2.432 1179 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 1179 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 1179 G C 1.581 176.519 174.900 0.064 0.000 1.135 1179 G CA 0.722 45.860 45.100 0.063 0.000 0.767 1179 G HN 0.460 nan 8.290 nan 0.000 0.550 1180 L N -0.088 121.172 121.223 0.062 0.000 2.056 1180 L HA -0.021 4.319 4.340 0.000 0.000 0.207 1180 L C 2.951 179.756 176.870 -0.109 0.000 1.078 1180 L CA 0.668 55.542 54.840 0.056 0.000 0.749 1180 L CB -0.295 41.844 42.059 0.133 0.000 0.901 1180 L HN 0.149 nan 8.230 nan 0.000 0.433 1181 M N -0.499 119.048 119.600 -0.090 0.000 2.394 1181 M HA -0.031 4.449 4.480 0.000 0.000 0.264 1181 M C 2.264 178.649 176.300 0.141 0.000 1.073 1181 M CA 1.271 56.558 55.300 -0.022 0.000 1.111 1181 M CB -1.431 31.152 32.600 -0.029 0.000 1.401 1181 M HN 0.266 nan 8.290 nan 0.000 0.448 1182 G N 0.273 109.123 108.800 0.083 0.000 2.402 1182 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 1182 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 1182 G C 1.667 176.588 174.900 0.035 0.000 1.162 1182 G CA 0.293 45.439 45.100 0.077 0.000 0.777 1182 G HN 0.414 nan 8.290 nan 0.000 0.539 1183 I N 1.340 121.934 120.570 0.040 0.000 2.179 1183 I HA -0.154 4.017 4.170 0.000 0.000 0.242 1183 I C 3.287 179.416 176.117 0.021 0.000 1.088 1183 I CA 0.978 62.305 61.300 0.044 0.000 1.357 1183 I CB -0.172 37.889 38.000 0.101 0.000 1.051 1183 I HN 0.238 nan 8.210 nan 0.000 0.409 1184 A N 0.851 123.677 122.820 0.010 0.000 1.877 1184 A HA -0.135 4.185 4.320 0.000 0.000 0.216 1184 A C 2.434 179.926 177.584 -0.153 0.000 1.186 1184 A CA 1.932 53.972 52.037 0.005 0.000 0.620 1184 A CB -1.464 17.531 19.000 -0.008 0.000 0.822 1184 A HN 0.462 nan 8.150 nan 0.000 0.443 1185 G N -0.658 107.978 108.800 -0.273 0.000 2.422 1185 G HA2 0.029 3.990 3.960 0.000 0.000 0.218 1185 G HA3 0.029 3.990 3.960 0.000 0.000 0.218 1185 G C 1.706 176.401 174.900 -0.342 0.000 1.146 1185 G CA 1.411 46.098 45.100 -0.688 0.000 0.769 1185 G HN 0.783 nan 8.290 nan 0.000 0.547 1186 A N 0.818 123.540 122.820 -0.164 0.000 1.877 1186 A HA -0.008 4.313 4.320 0.000 0.000 0.216 1186 A C 2.206 179.731 177.584 -0.097 0.000 1.186 1186 A CA 2.093 54.069 52.037 -0.101 0.000 0.620 1186 A CB -0.440 18.533 19.000 -0.046 0.000 0.822 1186 A HN 0.397 nan 8.150 nan 0.000 0.443 1187 K N -0.247 120.101 120.400 -0.086 0.000 2.097 1187 K HA -0.032 4.288 4.320 0.000 0.000 0.206 1187 K C 1.357 177.902 176.600 -0.092 0.000 1.049 1187 K CA 1.245 57.492 56.287 -0.067 0.000 0.933 1187 K CB -0.291 32.183 32.500 -0.044 0.000 0.717 1187 K HN 0.461 nan 8.250 nan 0.000 0.442 1188 L N 0.885 122.016 121.223 -0.152 0.000 2.650 1188 L HA 0.033 4.373 4.340 0.000 0.000 0.235 1188 L C 1.382 178.160 176.870 -0.154 0.000 1.149 1188 L CA 0.055 54.795 54.840 -0.165 0.000 0.887 1188 L CB 0.067 41.966 42.059 -0.266 0.000 1.021 1188 L HN 0.068 nan 8.230 nan 0.000 0.441 1189 R N -0.449 119.974 120.500 -0.129 0.000 2.535 1189 R HA 0.285 4.626 4.340 0.000 0.000 0.323 1189 R C 1.071 177.334 176.300 -0.062 0.000 0.979 1189 R CA 0.578 56.621 56.100 -0.095 0.000 1.120 1189 R CB 0.903 31.145 30.300 -0.097 0.000 1.306 1189 R HN 0.245 nan 8.270 nan 0.000 0.540 1190 G N 0.617 109.383 108.800 -0.058 0.000 2.159 1190 G HA2 -0.269 3.691 3.960 0.000 0.000 0.227 1190 G HA3 -0.269 3.691 3.960 0.000 0.000 0.227 1190 G C 0.352 175.232 174.900 -0.033 0.000 0.986 1190 G CA 0.019 45.095 45.100 -0.040 0.000 0.651 1190 G HN 0.504 nan 8.290 nan 0.000 0.523 1191 A N 0.099 122.897 122.820 -0.037 0.000 2.531 1191 A HA 0.618 4.938 4.320 0.000 0.000 0.236 1191 A C 1.581 179.153 177.584 -0.020 0.000 1.062 1191 A CA 1.570 53.591 52.037 -0.027 0.000 0.760 1191 A CB 0.297 19.281 19.000 -0.027 0.000 0.995 1191 A HN 1.570 nan 8.150 nan 0.000 0.501 1192 G N 0.976 109.767 108.800 -0.014 0.000 2.549 1192 G HA2 0.194 4.154 3.960 0.000 0.000 0.219 1192 G HA3 0.194 4.154 3.960 0.000 0.000 0.219 1192 G C 0.730 175.625 174.900 -0.008 0.000 1.677 1192 G CA 0.018 45.112 45.100 -0.011 0.000 0.929 1192 G HN 0.865 nan 8.290 nan 0.000 0.549 1193 R N 0.283 120.781 120.500 -0.004 0.000 2.389 1193 R HA 0.441 4.781 4.340 0.000 0.000 0.295 1193 R C -0.960 175.341 176.300 0.001 0.000 1.075 1193 R CA -0.044 56.055 56.100 -0.001 0.000 1.005 1193 R CB 0.138 30.438 30.300 0.000 0.000 0.987 1193 R HN 0.227 nan 8.270 nan 0.000 0.452 1194 I N 6.948 127.521 120.570 0.005 0.000 2.439 1194 I HA 0.258 4.428 4.170 0.000 0.000 0.283 1194 I C -0.458 175.669 176.117 0.016 0.000 1.023 1194 I CA -0.592 60.714 61.300 0.011 0.000 1.100 1194 I CB 1.784 39.792 38.000 0.014 0.000 1.238 1194 I HN 0.531 nan 8.210 nan 0.000 0.445 1195 I N 5.632 126.210 120.570 0.014 0.000 2.297 1195 I HA 0.353 4.523 4.170 0.000 0.000 0.291 1195 I C 0.869 176.997 176.117 0.017 0.000 1.033 1195 I CA -0.258 61.049 61.300 0.012 0.000 1.253 1195 I CB 1.268 39.268 38.000 0.000 0.000 1.396 1195 I HN 0.574 nan 8.210 nan 0.000 0.476 1196 G N 5.593 114.410 108.800 0.028 0.000 2.377 1196 G HA2 0.522 4.482 3.960 0.000 0.000 0.299 1196 G HA3 0.522 4.482 3.960 0.000 0.000 0.299 1196 G C -0.601 174.315 174.900 0.027 0.000 1.150 1196 G CA -0.298 44.827 45.100 0.041 0.000 0.847 1196 G HN 0.358 nan 8.290 nan 0.000 0.501 1197 V N 1.863 121.796 119.914 0.031 0.000 2.313 1197 V HA 0.848 4.968 4.120 0.000 0.000 0.278 1197 V C 0.637 176.788 176.094 0.094 0.000 1.017 1197 V CA 0.269 62.574 62.300 0.008 0.000 0.823 1197 V CB 0.531 32.312 31.823 -0.069 0.000 1.010 1197 V HN 1.237 nan 8.190 nan 0.000 0.443 1198 G N 2.791 111.652 108.800 0.102 0.000 2.466 1198 G HA2 0.507 4.468 3.960 0.000 0.000 0.291 1198 G HA3 0.507 4.468 3.960 0.000 0.000 0.291 1198 G C -0.032 174.935 174.900 0.113 0.000 1.460 1198 G CA 0.257 45.441 45.100 0.139 0.000 0.791 1198 G HN 0.711 nan 8.290 nan 0.000 0.505 1199 S N -1.197 114.566 115.700 0.106 0.000 2.691 1199 S HA 0.211 4.681 4.470 0.000 0.000 0.258 1199 S C 0.903 175.540 174.600 0.062 0.000 1.078 1199 S CA 0.016 58.264 58.200 0.081 0.000 1.000 1199 S CB 0.094 63.345 63.200 0.086 0.000 0.942 1199 S HN 0.719 nan 8.310 nan 0.000 0.521 1200 R N 3.288 123.824 120.500 0.061 0.000 2.513 1200 R HA 0.130 4.470 4.340 0.000 0.000 0.333 1200 R C -1.930 174.399 176.300 0.048 0.000 0.925 1200 R CA -0.879 55.251 56.100 0.050 0.000 1.072 1200 R CB 0.009 30.339 30.300 0.049 0.000 0.914 1200 R HN 0.091 nan 8.270 nan 0.000 0.408 1201 P HA -0.290 nan 4.420 nan 0.000 0.218 1201 P C 1.011 178.331 177.300 0.033 0.000 1.165 1201 P CA 1.224 64.344 63.100 0.033 0.000 0.922 1201 P CB -0.021 31.694 31.700 0.025 0.000 0.794 1202 I N -1.289 119.301 120.570 0.033 0.000 2.361 1202 I HA -0.212 3.959 4.170 0.000 0.000 0.251 1202 I C 1.866 178.010 176.117 0.046 0.000 1.133 1202 I CA 1.438 62.755 61.300 0.029 0.000 1.413 1202 I CB -0.850 37.170 38.000 0.033 0.000 1.073 1202 I HN -0.007 nan 8.210 nan 0.000 0.424 1203 C N -0.904 118.433 119.300 0.062 0.000 2.457 1203 C HA -0.057 4.403 4.460 0.000 0.000 0.278 1203 C C 2.810 177.856 174.990 0.092 0.000 1.309 1203 C CA 0.751 59.821 59.018 0.086 0.000 1.735 1203 C CB -0.897 26.894 27.740 0.085 0.000 1.992 1203 C HN 0.404 nan 8.230 nan 0.000 0.493 1204 V N 1.249 121.207 119.914 0.073 0.000 2.332 1204 V HA -0.196 3.925 4.120 0.000 0.000 0.248 1204 V C 2.542 178.678 176.094 0.070 0.000 1.055 1204 V CA 1.911 64.253 62.300 0.070 0.000 1.038 1204 V CB -0.593 31.263 31.823 0.054 0.000 0.651 1204 V HN 0.521 nan 8.190 nan 0.000 0.450 1205 E N 0.230 120.462 120.200 0.054 0.000 2.107 1205 E HA -0.098 4.252 4.350 0.000 0.000 0.191 1205 E C 2.354 178.990 176.600 0.060 0.000 0.982 1205 E CA 1.402 57.828 56.400 0.043 0.000 0.809 1205 E CB -0.542 29.162 29.700 0.008 0.000 0.756 1205 E HN 0.571 nan 8.360 nan 0.000 0.459 1206 A N 1.534 124.391 122.820 0.063 0.000 1.930 1206 A HA -0.044 4.276 4.320 0.000 0.000 0.217 1206 A C 2.416 180.126 177.584 0.208 0.000 1.175 1206 A CA 1.882 53.966 52.037 0.078 0.000 0.627 1206 A CB -0.531 18.550 19.000 0.135 0.000 0.815 1206 A HN 0.253 nan 8.150 nan 0.000 0.443 1207 A N 0.026 122.976 122.820 0.217 0.000 1.877 1207 A HA -0.189 4.131 4.320 0.000 0.000 0.216 1207 A C 2.117 179.807 177.584 0.177 0.000 1.186 1207 A CA 1.884 54.060 52.037 0.232 0.000 0.620 1207 A CB -0.466 18.628 19.000 0.158 0.000 0.822 1207 A HN 0.534 nan 8.150 nan 0.000 0.443 1208 K N -1.633 118.844 120.400 0.127 0.000 2.097 1208 K HA -0.111 4.209 4.320 0.000 0.000 0.206 1208 K C 1.756 178.407 176.600 0.085 0.000 1.049 1208 K CA 1.481 57.822 56.287 0.091 0.000 0.933 1208 K CB -0.326 32.218 32.500 0.074 0.000 0.717 1208 K HN 0.529 nan 8.250 nan 0.000 0.442 1209 F N 0.430 120.341 119.950 -0.065 0.000 2.171 1209 F HA -0.209 4.318 4.527 0.000 0.000 0.300 1209 F C 1.541 177.256 175.800 -0.142 0.000 1.090 1209 F CA 1.383 59.288 58.000 -0.158 0.000 1.293 1209 F CB -0.130 38.681 39.000 -0.315 0.000 1.013 1209 F HN -0.019 nan 8.300 nan 0.000 0.486 1210 Y N 0.078 120.367 120.300 -0.019 0.000 2.544 1210 Y HA 0.260 4.810 4.550 0.000 0.000 0.286 1210 Y C 2.048 177.886 175.900 -0.103 0.000 1.141 1210 Y CA 0.507 58.544 58.100 -0.105 0.000 1.299 1210 Y CB 0.010 38.520 38.460 0.084 0.000 1.030 1210 Y HN 0.250 nan 8.280 nan 0.000 0.543 1211 G N -1.576 107.255 108.800 0.052 0.000 2.613 1211 G HA2 -0.013 3.947 3.960 0.000 0.000 0.199 1211 G HA3 -0.013 3.947 3.960 0.000 0.000 0.199 1211 G C 0.192 175.112 174.900 0.033 0.000 0.991 1211 G CA -0.436 44.676 45.100 0.020 0.000 0.756 1211 G HN 0.428 nan 8.290 nan 0.000 0.515 1212 A N 1.181 124.038 122.820 0.062 0.000 2.520 1212 A HA 0.556 4.876 4.320 0.000 0.000 0.245 1212 A C 1.577 179.181 177.584 0.033 0.000 1.072 1212 A CA 1.679 53.747 52.037 0.051 0.000 0.761 1212 A CB 0.258 19.300 19.000 0.070 0.000 1.004 1212 A HN 1.306 nan 8.150 nan 0.000 0.499 1213 T N -0.821 113.746 114.554 0.022 0.000 3.014 1213 T HA 0.268 4.618 4.350 0.000 0.000 0.250 1213 T C -0.075 174.635 174.700 0.016 0.000 1.060 1213 T CA 0.831 62.940 62.100 0.015 0.000 1.040 1213 T CB -0.185 68.688 68.868 0.008 0.000 0.971 1213 T HN 0.601 nan 8.240 nan 0.000 0.497 1214 D N 0.158 120.569 120.400 0.018 0.000 2.756 1214 D HA 0.608 5.249 4.640 0.000 0.000 0.226 1214 D C -1.316 174.996 176.300 0.019 0.000 1.186 1214 D CA -0.615 53.394 54.000 0.015 0.000 0.845 1214 D CB 1.810 42.614 40.800 0.008 0.000 1.610 1214 D HN 0.022 nan 8.370 nan 0.000 0.465 1215 I N 1.857 122.438 120.570 0.018 0.000 2.533 1215 I HA 0.436 4.606 4.170 0.000 0.000 0.290 1215 I C -0.877 175.245 176.117 0.008 0.000 1.056 1215 I CA -0.497 60.816 61.300 0.021 0.000 1.057 1215 I CB 1.423 39.442 38.000 0.033 0.000 1.240 1215 I HN 0.337 nan 8.210 nan 0.000 0.423 1216 L N 4.737 125.957 121.223 -0.005 0.000 2.341 1216 L HA 0.531 4.872 4.340 0.000 0.000 0.267 1216 L C -0.503 176.352 176.870 -0.025 0.000 1.009 1216 L CA -0.781 54.042 54.840 -0.028 0.000 0.819 1216 L CB 2.553 44.571 42.059 -0.067 0.000 1.323 1216 L HN 0.522 nan 8.230 nan 0.000 0.425 1217 N N -0.549 118.143 118.700 -0.013 0.000 2.314 1217 N HA 0.291 5.031 4.740 0.000 0.000 0.294 1217 N C 0.146 175.684 175.510 0.047 0.000 1.029 1217 N CA -0.416 52.661 53.050 0.046 0.000 0.845 1217 N CB 1.219 39.744 38.487 0.063 0.000 1.321 1217 N HN 0.377 nan 8.380 nan 0.000 0.481 1218 Y N 1.779 122.097 120.300 0.030 0.000 2.165 1218 Y HA -0.091 4.459 4.550 0.000 0.000 0.286 1218 Y C 0.994 176.904 175.900 0.017 0.000 1.155 1218 Y CA 1.364 59.484 58.100 0.033 0.000 1.164 1218 Y CB 0.085 38.568 38.460 0.039 0.000 0.978 1218 Y HN 0.486 nan 8.280 nan 0.000 0.513 1219 K N 1.014 121.524 120.400 0.183 0.000 3.077 1219 K HA -0.029 4.291 4.320 0.000 0.000 0.269 1219 K C -0.165 176.465 176.600 0.049 0.000 0.973 1219 K CA 0.502 56.844 56.287 0.092 0.000 1.162 1219 K CB -0.779 31.764 32.500 0.071 0.000 1.079 1219 K HN 0.521 nan 8.250 nan 0.000 0.456 1220 N N 0.222 118.944 118.700 0.037 0.000 2.193 1220 N HA 0.077 4.817 4.740 0.000 0.000 0.236 1220 N C -0.600 174.903 175.510 -0.012 0.000 1.347 1220 N CA -0.352 52.703 53.050 0.009 0.000 0.812 1220 N CB 1.485 39.977 38.487 0.009 0.000 1.297 1220 N HN 0.332 nan 8.380 nan 0.000 0.499 1221 G N 0.513 109.297 108.800 -0.026 0.000 2.539 1221 G HA2 -0.154 3.806 3.960 0.000 0.000 0.686 1221 G HA3 -0.154 3.806 3.960 0.000 0.000 0.686 1221 G C -1.105 173.782 174.900 -0.022 0.000 1.258 1221 G CA -1.025 44.029 45.100 -0.076 0.000 0.846 1221 G HN 0.393 nan 8.290 nan 0.000 0.647 1222 H N -0.014 119.073 119.070 0.029 0.000 3.192 1222 H HA 0.063 4.619 4.556 0.000 0.000 0.295 1222 H C 1.863 177.178 175.328 -0.022 0.000 0.943 1222 H CA 0.335 56.399 56.048 0.027 0.000 1.416 1222 H CB 0.760 30.539 29.762 0.029 0.000 1.434 1222 H HN 0.536 nan 8.280 nan 0.000 0.565 1223 I N 3.488 124.090 120.570 0.055 0.000 2.194 1223 I HA -0.320 3.851 4.170 0.000 0.000 0.246 1223 I C 2.383 178.480 176.117 -0.034 0.000 1.093 1223 I CA 1.580 62.819 61.300 -0.100 0.000 1.355 1223 I CB -0.300 37.506 38.000 -0.323 0.000 1.046 1223 I HN 0.784 nan 8.210 nan 0.000 0.413 1224 E N -0.193 120.012 120.200 0.008 0.000 2.110 1224 E HA -0.255 4.096 4.350 0.000 0.000 0.193 1224 E C 1.484 178.098 176.600 0.023 0.000 0.988 1224 E CA 1.703 58.108 56.400 0.008 0.000 0.804 1224 E CB -0.856 28.846 29.700 0.004 0.000 0.745 1224 E HN 0.527 nan 8.360 nan 0.000 0.458 1225 D N 1.378 121.812 120.400 0.056 0.000 2.117 1225 D HA -0.122 4.518 4.640 0.000 0.000 0.198 1225 D C 2.195 178.512 176.300 0.029 0.000 0.982 1225 D CA 1.062 55.095 54.000 0.054 0.000 0.828 1225 D CB -0.228 40.628 40.800 0.094 0.000 0.967 1225 D HN 0.360 nan 8.370 nan 0.000 0.464 1226 Q N 0.439 120.250 119.800 0.018 0.000 2.061 1226 Q HA -0.105 4.235 4.340 0.000 0.000 0.204 1226 Q C 2.458 178.455 176.000 -0.005 0.000 0.984 1226 Q CA 0.903 56.706 55.803 -0.001 0.000 0.846 1226 Q CB -0.054 28.672 28.738 -0.020 0.000 0.902 1226 Q HN 0.131 nan 8.270 nan 0.000 0.421 1227 V N 0.741 120.649 119.914 -0.010 0.000 2.407 1227 V HA -0.267 3.853 4.120 0.000 0.000 0.248 1227 V C 2.240 178.334 176.094 0.001 0.000 1.055 1227 V CA 1.326 63.620 62.300 -0.008 0.000 1.049 1227 V CB -0.390 31.426 31.823 -0.012 0.000 0.662 1227 V HN 0.425 nan 8.190 nan 0.000 0.455 1228 M N -0.399 119.205 119.600 0.007 0.000 2.117 1228 M HA -0.165 4.315 4.480 0.000 0.000 0.262 1228 M C 2.112 178.417 176.300 0.009 0.000 1.065 1228 M CA 1.732 57.038 55.300 0.011 0.000 1.114 1228 M CB -1.136 31.473 32.600 0.016 0.000 1.361 1228 M HN 0.331 nan 8.290 nan 0.000 0.408 1229 K N 0.166 120.571 120.400 0.009 0.000 1.985 1229 K HA -0.100 4.220 4.320 0.000 0.000 0.210 1229 K C 2.079 178.682 176.600 0.004 0.000 1.047 1229 K CA 1.129 57.420 56.287 0.007 0.000 0.932 1229 K CB -0.440 32.064 32.500 0.007 0.000 0.716 1229 K HN 0.261 nan 8.250 nan 0.000 0.439 1230 L N 0.984 122.208 121.223 0.002 0.000 2.081 1230 L HA -0.187 4.153 4.340 0.000 0.000 0.212 1230 L C 2.254 179.126 176.870 0.002 0.000 1.080 1230 L CA 1.667 56.508 54.840 0.001 0.000 0.754 1230 L CB -0.857 41.201 42.059 -0.001 0.000 0.893 1230 L HN 0.427 nan 8.230 nan 0.000 0.433 1231 T N -4.145 110.410 114.554 0.003 0.000 3.206 1231 T HA 0.031 4.381 4.350 0.000 0.000 0.253 1231 T C 0.846 175.549 174.700 0.004 0.000 1.042 1231 T CA -0.340 61.762 62.100 0.004 0.000 0.931 1231 T CB -0.394 68.477 68.868 0.005 0.000 1.029 1231 T HN 0.367 nan 8.240 nan 0.000 0.564 1232 N N 1.417 120.120 118.700 0.005 0.000 2.686 1232 N HA -0.249 4.492 4.740 0.000 0.000 0.261 1232 N C 1.151 176.664 175.510 0.006 0.000 1.001 1232 N CA 1.051 54.104 53.050 0.005 0.000 0.764 1232 N CB -1.463 37.026 38.487 0.004 0.000 0.898 1232 N HN 1.043 nan 8.380 nan 0.000 0.544 1233 G N -0.131 108.674 108.800 0.008 0.000 2.220 1233 G HA2 -0.369 3.591 3.960 0.000 0.000 0.269 1233 G HA3 -0.369 3.591 3.960 0.000 0.000 0.269 1233 G C 1.004 175.909 174.900 0.009 0.000 0.977 1233 G CA 1.073 46.179 45.100 0.009 0.000 0.634 1233 G HN 0.619 nan 8.290 nan 0.000 0.539 1234 K N 0.261 120.666 120.400 0.008 0.000 2.186 1234 K HA 0.412 4.732 4.320 0.000 0.000 0.202 1234 K C 1.631 178.237 176.600 0.010 0.000 1.052 1234 K CA 0.735 57.027 56.287 0.008 0.000 0.965 1234 K CB 0.044 32.547 32.500 0.005 0.000 0.746 1234 K HN 1.491 nan 8.250 nan 0.000 0.457 1235 G N 0.902 109.708 108.800 0.011 0.000 2.660 1235 G HA2 -0.201 3.759 3.960 0.000 0.000 0.247 1235 G HA3 -0.201 3.759 3.960 0.000 0.000 0.247 1235 G C -0.535 174.372 174.900 0.012 0.000 1.328 1235 G CA -0.476 44.632 45.100 0.013 0.000 0.884 1235 G HN 0.260 nan 8.290 nan 0.000 0.531 1236 V N -3.127 116.796 119.914 0.014 0.000 3.019 1236 V HA 0.820 4.941 4.120 0.000 0.000 0.317 1236 V C 0.873 176.977 176.094 0.016 0.000 1.094 1236 V CA 0.312 62.620 62.300 0.012 0.000 1.000 1236 V CB 1.975 33.804 31.823 0.011 0.000 1.060 1236 V HN 0.693 nan 8.190 nan 0.000 0.443 1237 D N 0.697 121.105 120.400 0.013 0.000 2.149 1237 D HA 0.059 4.699 4.640 0.000 0.000 0.201 1237 D C 0.556 176.868 176.300 0.020 0.000 0.972 1237 D CA 1.326 55.334 54.000 0.014 0.000 0.835 1237 D CB 0.210 41.014 40.800 0.007 0.000 0.966 1237 D HN 0.485 nan 8.370 nan 0.000 0.476 1238 R N -0.192 120.319 120.500 0.018 0.000 2.740 1238 R HA 0.591 4.931 4.340 0.000 0.000 0.273 1238 R C -1.021 175.292 176.300 0.022 0.000 0.998 1238 R CA -0.757 55.356 56.100 0.021 0.000 0.900 1238 R CB 2.502 32.810 30.300 0.012 0.000 1.223 1238 R HN -0.231 nan 8.270 nan 0.000 0.466 1239 V N 3.142 123.073 119.914 0.029 0.000 2.623 1239 V HA 0.509 4.629 4.120 0.000 0.000 0.304 1239 V C -0.149 175.965 176.094 0.034 0.000 1.054 1239 V CA -0.708 61.611 62.300 0.031 0.000 0.882 1239 V CB 2.333 34.178 31.823 0.037 0.000 1.002 1239 V HN 0.570 nan 8.190 nan 0.000 0.424 1240 I N 5.082 125.673 120.570 0.035 0.000 2.330 1240 I HA 0.432 4.603 4.170 0.000 0.000 0.289 1240 I C -0.138 176.012 176.117 0.055 0.000 1.001 1240 I CA -0.335 60.989 61.300 0.040 0.000 1.193 1240 I CB 1.642 39.663 38.000 0.034 0.000 1.345 1240 I HN 0.485 nan 8.210 nan 0.000 0.461 1241 M N 5.718 125.358 119.600 0.067 0.000 2.135 1241 M HA 0.313 4.793 4.480 0.000 0.000 0.345 1241 M C 0.743 177.088 176.300 0.074 0.000 1.340 1241 M CA 0.029 55.381 55.300 0.087 0.000 1.162 1241 M CB 1.348 34.022 32.600 0.123 0.000 1.570 1241 M HN 0.777 nan 8.290 nan 0.000 0.454 1242 A N 2.885 125.746 122.820 0.068 0.000 2.108 1242 A HA 0.643 4.963 4.320 0.000 0.000 0.206 1242 A C 0.861 178.467 177.584 0.037 0.000 1.212 1242 A CA 0.550 52.619 52.037 0.053 0.000 0.843 1242 A CB 0.445 19.481 19.000 0.059 0.000 0.902 1242 A HN 0.802 nan 8.150 nan 0.000 0.477 1243 G N -2.963 105.867 108.800 0.050 0.000 2.608 1243 G HA2 0.629 4.589 3.960 0.000 0.000 0.291 1243 G HA3 0.629 4.589 3.960 0.000 0.000 0.291 1243 G C -0.110 174.822 174.900 0.054 0.000 1.425 1243 G CA -0.048 45.074 45.100 0.035 0.000 0.787 1243 G HN 1.714 nan 8.290 nan 0.000 0.484 1244 G N -1.718 107.098 108.800 0.026 0.000 2.566 1244 G HA2 0.487 4.447 3.960 0.000 0.000 0.599 1244 G HA3 0.487 4.447 3.960 0.000 0.000 0.599 1244 G C 0.485 175.400 174.900 0.025 0.000 1.292 1244 G CA 0.132 45.241 45.100 0.016 0.000 0.922 1244 G HN 1.966 nan 8.290 nan 0.000 0.514 1245 G N -1.081 107.730 108.800 0.019 0.000 2.653 1245 G HA2 0.576 4.536 3.960 0.000 0.000 0.265 1245 G HA3 0.576 4.536 3.960 0.000 0.000 0.265 1245 G C 1.598 176.577 174.900 0.131 0.000 1.237 1245 G CA 1.083 46.211 45.100 0.047 0.000 0.946 1245 G HN 2.122 nan 8.290 nan 0.000 0.522 1246 S N -0.650 115.114 115.700 0.107 0.000 2.447 1246 S HA -0.131 4.339 4.470 0.000 0.000 0.233 1246 S C 1.767 176.354 174.600 -0.022 0.000 1.006 1246 S CA 1.524 59.731 58.200 0.011 0.000 0.957 1246 S CB -0.161 62.984 63.200 -0.092 0.000 0.773 1246 S HN 0.750 nan 8.310 nan 0.000 0.507 1247 E N 2.448 122.652 120.200 0.007 0.000 2.472 1247 E HA -0.141 4.209 4.350 0.000 0.000 0.200 1247 E C 1.553 178.175 176.600 0.035 0.000 1.046 1247 E CA 1.387 57.789 56.400 0.004 0.000 0.871 1247 E CB -1.363 28.343 29.700 0.010 0.000 0.806 1247 E HN 0.788 nan 8.360 nan 0.000 0.533 1248 T N -0.677 113.923 114.554 0.077 0.000 2.962 1248 T HA -0.100 4.250 4.350 0.000 0.000 0.270 1248 T C 1.856 176.593 174.700 0.061 0.000 1.088 1248 T CA 0.850 63.017 62.100 0.111 0.000 1.127 1248 T CB -0.289 68.676 68.868 0.162 0.000 0.883 1248 T HN 0.141 nan 8.240 nan 0.000 0.493 1249 L N 1.560 122.789 121.223 0.010 0.000 2.056 1249 L HA 0.105 4.445 4.340 0.000 0.000 0.207 1249 L C 2.700 179.542 176.870 -0.046 0.000 1.078 1249 L CA 1.844 56.661 54.840 -0.038 0.000 0.749 1249 L CB -1.206 40.783 42.059 -0.117 0.000 0.901 1249 L HN 0.325 nan 8.230 nan 0.000 0.433 1250 S N -1.199 114.473 115.700 -0.047 0.000 2.368 1250 S HA -0.238 4.232 4.470 0.000 0.000 0.225 1250 S C 1.959 176.550 174.600 -0.016 0.000 1.030 1250 S CA 1.554 59.727 58.200 -0.045 0.000 0.999 1250 S CB -0.188 62.983 63.200 -0.047 0.000 0.844 1250 S HN 0.670 nan 8.310 nan 0.000 0.459 1251 Q N 0.332 120.135 119.800 0.006 0.000 2.050 1251 Q HA -0.046 4.295 4.340 0.000 0.000 0.202 1251 Q C 2.529 178.541 176.000 0.019 0.000 0.980 1251 Q CA 1.577 57.390 55.803 0.018 0.000 0.840 1251 Q CB -0.409 28.362 28.738 0.056 0.000 0.898 1251 Q HN 0.684 nan 8.270 nan 0.000 0.424 1252 A N 0.184 123.020 122.820 0.026 0.000 1.902 1252 A HA -0.148 4.172 4.320 0.000 0.000 0.217 1252 A C 2.316 179.922 177.584 0.037 0.000 1.181 1252 A CA 1.380 53.435 52.037 0.031 0.000 0.623 1252 A CB -0.734 18.286 19.000 0.035 0.000 0.818 1252 A HN 0.229 nan 8.150 nan 0.000 0.443 1253 V N 0.159 120.092 119.914 0.031 0.000 2.407 1253 V HA -0.264 3.857 4.120 0.000 0.000 0.248 1253 V C 2.404 178.542 176.094 0.074 0.000 1.055 1253 V CA 2.346 64.687 62.300 0.068 0.000 1.049 1253 V CB -0.613 31.234 31.823 0.040 0.000 0.662 1253 V HN 0.558 nan 8.190 nan 0.000 0.455 1254 K N 0.192 120.617 120.400 0.041 0.000 2.155 1254 K HA -0.068 4.252 4.320 0.000 0.000 0.203 1254 K C 2.028 178.647 176.600 0.032 0.000 1.052 1254 K CA 1.666 57.973 56.287 0.034 0.000 0.948 1254 K CB -0.152 32.353 32.500 0.009 0.000 0.728 1254 K HN 0.623 nan 8.250 nan 0.000 0.448 1255 M N -0.935 118.682 119.600 0.029 0.000 2.510 1255 M HA 0.145 4.625 4.480 0.000 0.000 0.256 1255 M C 0.694 177.012 176.300 0.030 0.000 1.132 1255 M CA 0.279 55.593 55.300 0.024 0.000 1.105 1255 M CB 0.366 32.974 32.600 0.013 0.000 1.375 1255 M HN -0.213 nan 8.290 nan 0.000 0.477 1256 V N 2.807 122.747 119.914 0.044 0.000 2.732 1256 V HA 0.245 4.365 4.120 0.000 0.000 0.297 1256 V C -0.011 176.113 176.094 0.050 0.000 1.060 1256 V CA -0.579 61.751 62.300 0.049 0.000 1.038 1256 V CB 1.290 33.152 31.823 0.064 0.000 1.003 1256 V HN 0.388 nan 8.190 nan 0.000 0.481 1257 K N 5.563 125.987 120.400 0.040 0.000 2.168 1257 K HA 0.357 4.677 4.320 0.000 0.000 0.258 1257 K C -2.491 174.133 176.600 0.041 0.000 1.010 1257 K CA -1.323 54.984 56.287 0.033 0.000 0.929 1257 K CB 0.213 32.726 32.500 0.021 0.000 0.998 1257 K HN 0.476 nan 8.250 nan 0.000 0.479 1258 P HA -0.024 nan 4.420 nan 0.000 0.268 1258 P C 0.439 177.761 177.300 0.037 0.000 1.205 1258 P CA 0.730 63.851 63.100 0.035 0.000 0.771 1258 P CB 0.639 32.352 31.700 0.021 0.000 0.858 1259 G N 1.333 110.173 108.800 0.067 0.000 2.205 1259 G HA2 -0.188 3.773 3.960 0.000 0.000 0.261 1259 G HA3 -0.188 3.773 3.960 0.000 0.000 0.261 1259 G C 0.691 175.623 174.900 0.052 0.000 0.980 1259 G CA -0.025 45.106 45.100 0.051 0.000 0.632 1259 G HN 0.885 nan 8.290 nan 0.000 0.533 1260 G N -0.613 108.222 108.800 0.059 0.000 2.621 1260 G HA2 0.589 4.549 3.960 0.000 0.000 0.271 1260 G HA3 0.589 4.549 3.960 0.000 0.000 0.271 1260 G C -0.135 174.809 174.900 0.073 0.000 1.236 1260 G CA -0.338 44.795 45.100 0.056 0.000 0.958 1260 G HN 0.770 nan 8.290 nan 0.000 0.512 1261 I N -0.122 120.485 120.570 0.061 0.000 2.498 1261 I HA 0.325 4.495 4.170 0.000 0.000 0.290 1261 I C -0.660 175.492 176.117 0.058 0.000 1.032 1261 I CA -0.493 60.847 61.300 0.065 0.000 1.073 1261 I CB 2.301 40.329 38.000 0.047 0.000 1.251 1261 I HN 0.177 nan 8.210 nan 0.000 0.426 1262 I N 4.414 125.024 120.570 0.068 0.000 2.339 1262 I HA 0.227 4.397 4.170 0.000 0.000 0.290 1262 I C 0.126 176.269 176.117 0.044 0.000 0.994 1262 I CA -0.154 61.178 61.300 0.054 0.000 1.191 1262 I CB 1.755 39.788 38.000 0.055 0.000 1.343 1262 I HN 0.473 nan 8.210 nan 0.000 0.458 1263 S N 5.707 121.428 115.700 0.035 0.000 2.520 1263 S HA 0.329 4.800 4.470 0.000 0.000 0.324 1263 S C -0.533 174.092 174.600 0.041 0.000 1.069 1263 S CA -0.673 57.541 58.200 0.023 0.000 1.121 1263 S CB 0.332 63.531 63.200 -0.002 0.000 0.971 1263 S HN 0.623 nan 8.310 nan 0.000 0.463 1264 N N 4.107 122.841 118.700 0.058 0.000 2.426 1264 N HA 0.427 5.167 4.740 0.000 0.000 0.275 1264 N C 0.527 176.091 175.510 0.090 0.000 1.019 1264 N CA -0.462 52.645 53.050 0.095 0.000 0.941 1264 N CB 0.608 39.180 38.487 0.142 0.000 1.123 1264 N HN 0.723 nan 8.380 nan 0.000 0.486 1265 I N -0.935 119.684 120.570 0.081 0.000 4.225 1265 I HA 0.420 4.590 4.170 0.000 0.000 0.327 1265 I C -0.038 176.108 176.117 0.049 0.000 1.422 1265 I CA -0.628 60.717 61.300 0.075 0.000 1.150 1265 I CB -0.106 37.939 38.000 0.076 0.000 1.192 1265 I HN 0.270 nan 8.210 nan 0.000 0.440 1266 N N 2.223 120.937 118.700 0.023 0.000 2.488 1266 N HA 0.023 4.763 4.740 0.000 0.000 0.274 1266 N C -0.932 174.510 175.510 -0.113 0.000 1.111 1266 N CA -0.194 52.802 53.050 -0.090 0.000 0.974 1266 N CB 0.565 38.909 38.487 -0.238 0.000 1.089 1266 N HN 0.256 nan 8.380 nan 0.000 0.465 1267 Y N 5.439 125.635 120.300 -0.174 0.000 2.556 1267 Y HA 0.192 4.743 4.550 0.000 0.000 0.352 1267 Y C -0.378 175.395 175.900 -0.211 0.000 1.006 1267 Y CA -0.819 57.227 58.100 -0.089 0.000 1.277 1267 Y CB -0.639 37.840 38.460 0.031 0.000 1.136 1267 Y HN 0.484 nan 8.280 nan 0.000 0.523 1268 H N 5.117 124.279 119.070 0.154 0.000 2.934 1268 H HA 0.162 4.719 4.556 0.000 0.000 0.273 1268 H C 1.001 176.212 175.328 -0.195 0.000 1.121 1268 H CA 0.653 56.649 56.048 -0.086 0.000 1.451 1268 H CB 0.970 30.723 29.762 -0.014 0.000 1.469 1268 H HN 0.973 nan 8.280 nan 0.000 0.476 1269 G N 2.632 111.120 108.800 -0.520 0.000 2.838 1269 G HA2 -0.027 3.933 3.960 0.000 0.000 0.210 1269 G HA3 -0.027 3.933 3.960 0.000 0.000 0.210 1269 G C 0.394 175.184 174.900 -0.185 0.000 1.153 1269 G CA 0.255 45.066 45.100 -0.482 0.000 0.778 1269 G HN 0.565 nan 8.290 nan 0.000 0.539 1270 S N -1.850 113.773 115.700 -0.129 0.000 2.607 1270 S HA 0.775 5.245 4.470 0.000 0.000 0.273 1270 S C -0.305 174.276 174.600 -0.031 0.000 1.148 1270 S CA 0.013 58.178 58.200 -0.058 0.000 0.833 1270 S CB 2.072 65.237 63.200 -0.059 0.000 1.130 1270 S HN 1.738 nan 8.310 nan 0.000 0.470 1271 G N 1.005 109.792 108.800 -0.022 0.000 2.650 1271 G HA2 0.004 3.964 3.960 0.000 0.000 0.686 1271 G HA3 0.004 3.964 3.960 0.000 0.000 0.686 1271 G C -0.214 174.673 174.900 -0.022 0.000 1.205 1271 G CA 0.163 45.249 45.100 -0.023 0.000 0.781 1271 G HN 1.004 nan 8.290 nan 0.000 0.648 1272 D N 0.149 120.534 120.400 -0.025 0.000 2.117 1272 D HA 0.392 5.032 4.640 0.000 0.000 0.198 1272 D C 1.406 177.684 176.300 -0.037 0.000 0.982 1272 D CA 2.910 56.895 54.000 -0.026 0.000 0.828 1272 D CB 0.049 40.834 40.800 -0.025 0.000 0.967 1272 D HN 1.460 nan 8.370 nan 0.000 0.464 1273 A N -1.283 121.505 122.820 -0.052 0.000 2.588 1273 A HA 0.617 4.937 4.320 0.000 0.000 0.290 1273 A C -1.834 175.687 177.584 -0.106 0.000 1.136 1273 A CA -0.730 51.262 52.037 -0.075 0.000 0.681 1273 A CB 0.852 19.809 19.000 -0.072 0.000 1.282 1273 A HN 0.093 nan 8.150 nan 0.000 0.421 1274 L N 0.473 121.611 121.223 -0.143 0.000 2.322 1274 L HA 0.620 4.960 4.340 0.000 0.000 0.281 1274 L C -0.272 176.500 176.870 -0.163 0.000 1.014 1274 L CA -0.161 54.567 54.840 -0.185 0.000 0.815 1274 L CB 1.592 43.486 42.059 -0.274 0.000 1.247 1274 L HN 0.682 nan 8.230 nan 0.000 0.421 1275 L N 4.129 125.266 121.223 -0.144 0.000 2.307 1275 L HA 0.595 4.936 4.340 0.000 0.000 0.282 1275 L C -0.850 175.919 176.870 -0.168 0.000 1.051 1275 L CA -0.232 54.527 54.840 -0.136 0.000 0.804 1275 L CB 0.917 42.919 42.059 -0.094 0.000 1.197 1275 L HN 0.528 nan 8.230 nan 0.000 0.431 1276 I N 6.697 127.144 120.570 -0.205 0.000 2.355 1276 I HA 0.335 4.505 4.170 0.000 0.000 0.288 1276 I C -1.981 174.045 176.117 -0.151 0.000 0.999 1276 I CA -1.906 59.229 61.300 -0.275 0.000 1.163 1276 I CB 1.697 39.372 38.000 -0.543 0.000 1.316 1276 I HN 0.502 nan 8.210 nan 0.000 0.454 1277 P HA 0.104 nan 4.420 nan 0.000 0.269 1277 P C 0.431 177.771 177.300 0.066 0.000 1.252 1277 P CA -0.163 62.931 63.100 -0.010 0.000 0.780 1277 P CB 1.034 32.733 31.700 -0.002 0.000 0.829 1278 R N 3.037 123.579 120.500 0.071 0.000 2.094 1278 R HA -0.142 4.198 4.340 0.000 0.000 0.239 1278 R C 1.645 178.031 176.300 0.143 0.000 1.137 1278 R CA 2.006 58.187 56.100 0.135 0.000 0.943 1278 R CB -0.688 29.663 30.300 0.086 0.000 0.850 1278 R HN 0.220 nan 8.270 nan 0.000 0.433 1279 V N 1.114 121.079 119.914 0.086 0.000 2.233 1279 V HA -0.240 3.880 4.120 0.000 0.000 0.247 1279 V C 1.972 178.116 176.094 0.083 0.000 1.050 1279 V CA 2.280 64.620 62.300 0.067 0.000 1.010 1279 V CB -0.543 31.304 31.823 0.041 0.000 0.637 1279 V HN 0.401 nan 8.190 nan 0.000 0.444 1280 E N -1.390 118.867 120.200 0.094 0.000 2.338 1280 E HA -0.202 4.148 4.350 0.000 0.000 0.197 1280 E C 1.499 178.208 176.600 0.181 0.000 1.007 1280 E CA 0.664 57.126 56.400 0.104 0.000 0.849 1280 E CB -0.239 29.509 29.700 0.079 0.000 0.774 1280 E HN 0.777 nan 8.360 nan 0.000 0.506 1281 W N 0.772 122.065 121.300 -0.011 0.000 3.400 1281 W HA 0.276 4.936 4.660 0.000 0.000 0.347 1281 W C 0.877 177.387 176.519 -0.015 0.000 1.218 1281 W CA 0.458 57.796 57.345 -0.013 0.000 1.837 1281 W CB -0.215 29.234 29.460 -0.019 0.000 1.067 1281 W HN 0.109 nan 8.180 nan 0.000 0.701 1282 G N 0.935 109.747 108.800 0.020 0.000 2.283 1282 G HA2 -0.360 3.601 3.960 0.000 0.000 0.280 1282 G HA3 -0.360 3.601 3.960 0.000 0.000 0.280 1282 G C 0.833 175.666 174.900 -0.113 0.000 1.029 1282 G CA 0.067 45.120 45.100 -0.078 0.000 0.840 1282 G HN 0.607 nan 8.290 nan 0.000 0.505 1283 C N -2.489 116.806 119.300 -0.009 0.000 4.297 1283 C HA -0.015 4.445 4.460 0.000 0.000 0.290 1283 C C 2.418 177.350 174.990 -0.097 0.000 1.444 1283 C CA 1.600 60.623 59.018 0.009 0.000 1.982 1283 C CB -1.632 26.099 27.740 -0.016 0.000 1.276 1283 C HN 2.762 nan 8.230 nan 0.000 0.797 1284 G N -1.523 107.048 108.800 -0.382 0.000 2.141 1284 G HA2 -0.231 3.729 3.960 0.000 0.000 0.242 1284 G HA3 -0.231 3.729 3.960 0.000 0.000 0.242 1284 G C 0.110 174.523 174.900 -0.812 0.000 0.982 1284 G CA 0.504 44.999 45.100 -1.009 0.000 0.662 1284 G HN 0.590 nan 8.290 nan 0.000 0.527 1285 M N -0.387 118.867 119.600 -0.576 0.000 2.414 1285 M HA 0.500 4.980 4.480 0.000 0.000 0.357 1285 M C 1.646 177.727 176.300 -0.365 0.000 1.059 1285 M CA 0.334 55.373 55.300 -0.434 0.000 0.959 1285 M CB 0.504 32.959 32.600 -0.243 0.000 1.522 1285 M HN 0.645 nan 8.290 nan 0.000 0.551 1286 A N -1.002 121.573 122.820 -0.409 0.000 2.307 1286 A HA 0.178 4.498 4.320 0.000 0.000 0.218 1286 A C 0.182 177.729 177.584 -0.062 0.000 1.228 1286 A CA 0.019 51.946 52.037 -0.183 0.000 0.857 1286 A CB -0.830 18.075 19.000 -0.159 0.000 0.897 1286 A HN 0.701 nan 8.150 nan 0.000 0.495 1287 H N -0.674 118.263 119.070 -0.222 0.000 2.741 1287 H HA -0.149 4.408 4.556 0.000 0.000 0.305 1287 H C -0.150 175.147 175.328 -0.052 0.000 1.169 1287 H CA 1.304 57.279 56.048 -0.122 0.000 1.144 1287 H CB -1.594 28.125 29.762 -0.072 0.000 1.397 1287 H HN 0.535 nan 8.280 nan 0.000 0.409 1288 K N 1.473 121.875 120.400 0.005 0.000 2.184 1288 K HA 0.161 4.482 4.320 0.000 0.000 0.259 1288 K C 0.067 176.843 176.600 0.293 0.000 1.119 1288 K CA -0.187 56.200 56.287 0.166 0.000 0.991 1288 K CB 0.736 33.390 32.500 0.256 0.000 1.522 1288 K HN 0.152 nan 8.250 nan 0.000 0.405 1289 T N 3.050 117.720 114.554 0.194 0.000 2.916 1289 T HA 0.187 4.538 4.350 0.000 0.000 0.303 1289 T C 0.490 175.293 174.700 0.170 0.000 1.025 1289 T CA 0.128 62.339 62.100 0.186 0.000 1.142 1289 T CB 0.487 69.429 68.868 0.124 0.000 0.947 1289 T HN 0.322 nan 8.240 nan 0.000 0.544 1290 I N 3.673 124.336 120.570 0.155 0.000 2.382 1290 I HA 0.381 4.551 4.170 0.000 0.000 0.286 1290 I C 0.274 176.424 176.117 0.056 0.000 1.002 1290 I CA -0.705 60.643 61.300 0.080 0.000 1.135 1290 I CB 1.295 39.303 38.000 0.014 0.000 1.288 1290 I HN 0.404 nan 8.210 nan 0.000 0.448 1291 K N 4.029 124.457 120.400 0.047 0.000 2.306 1291 K HA 0.886 5.206 4.320 0.000 0.000 0.236 1291 K C -0.304 176.322 176.600 0.044 0.000 1.013 1291 K CA -1.053 55.261 56.287 0.044 0.000 0.857 1291 K CB 2.525 35.048 32.500 0.039 0.000 1.214 1291 K HN 0.748 nan 8.250 nan 0.000 0.449 1292 G N 0.022 108.856 108.800 0.057 0.000 2.334 1292 G HA2 0.513 4.473 3.960 0.000 0.000 0.290 1292 G HA3 0.513 4.473 3.960 0.000 0.000 0.290 1292 G C -1.157 173.814 174.900 0.118 0.000 1.310 1292 G CA -0.540 44.609 45.100 0.081 0.000 1.308 1292 G HN 0.693 nan 8.290 nan 0.000 0.612 1293 G N 0.451 109.343 108.800 0.153 0.000 2.659 1293 G HA2 0.691 4.651 3.960 0.000 0.000 0.296 1293 G HA3 0.691 4.651 3.960 0.000 0.000 0.296 1293 G C -1.099 173.948 174.900 0.246 0.000 1.369 1293 G CA -0.890 44.362 45.100 0.252 0.000 0.937 1293 G HN 1.086 nan 8.290 nan 0.000 0.485 1294 L N 1.802 123.127 121.223 0.170 0.000 2.426 1294 L HA 0.499 4.839 4.340 0.000 0.000 0.271 1294 L C 1.255 178.073 176.870 -0.086 0.000 1.169 1294 L CA -0.992 53.844 54.840 -0.007 0.000 0.836 1294 L CB 0.359 42.375 42.059 -0.073 0.000 1.112 1294 L HN 0.812 nan 8.230 nan 0.000 0.465 1295 C N 4.288 123.495 119.300 -0.156 0.000 2.657 1295 C HA 0.392 4.852 4.460 0.000 0.000 0.420 1295 C C -1.996 172.810 174.990 -0.308 0.000 1.323 1295 C CA -1.337 57.533 59.018 -0.247 0.000 1.894 1295 C CB -0.632 27.014 27.740 -0.158 0.000 2.681 1295 C HN 0.756 nan 8.230 nan 0.000 0.613 1296 P HA 0.520 nan 4.420 nan 0.000 0.272 1296 P C 0.475 177.715 177.300 -0.100 0.000 1.230 1296 P CA 0.670 63.632 63.100 -0.230 0.000 0.788 1296 P CB 0.661 32.241 31.700 -0.200 0.000 0.949 1297 G N -0.845 107.944 108.800 -0.019 0.000 3.058 1297 G HA2 0.694 4.654 3.960 0.000 0.000 0.282 1297 G HA3 0.694 4.654 3.960 0.000 0.000 0.282 1297 G C -0.471 174.540 174.900 0.185 0.000 1.248 1297 G CA -0.526 44.602 45.100 0.048 0.000 0.822 1297 G HN 0.795 nan 8.290 nan 0.000 0.579 1298 G N -1.325 107.612 108.800 0.230 0.000 2.746 1298 G HA2 -0.042 3.918 3.960 0.000 0.000 0.685 1298 G HA3 -0.042 3.918 3.960 0.000 0.000 0.685 1298 G C 0.730 175.736 174.900 0.177 0.000 1.350 1298 G CA 0.640 45.956 45.100 0.360 0.000 0.837 1298 G HN 0.933 nan 8.290 nan 0.000 0.564 1299 R N -0.014 120.552 120.500 0.110 0.000 2.080 1299 R HA -0.088 4.252 4.340 0.000 0.000 0.236 1299 R C 2.760 179.087 176.300 0.045 0.000 1.137 1299 R CA 2.341 58.482 56.100 0.068 0.000 0.943 1299 R CB -0.383 29.952 30.300 0.058 0.000 0.846 1299 R HN 0.727 nan 8.270 nan 0.000 0.431 1300 L N 1.308 122.525 121.223 -0.010 0.000 1.990 1300 L HA -0.208 4.132 4.340 0.000 0.000 0.213 1300 L C 2.523 179.416 176.870 0.038 0.000 1.072 1300 L CA 2.129 56.967 54.840 -0.003 0.000 0.755 1300 L CB -0.803 41.227 42.059 -0.048 0.000 0.889 1300 L HN 0.163 nan 8.230 nan 0.000 0.432 1301 R N 0.006 120.542 120.500 0.059 0.000 2.083 1301 R HA -0.122 4.218 4.340 0.000 0.000 0.237 1301 R C 2.141 178.473 176.300 0.053 0.000 1.137 1301 R CA 1.965 58.103 56.100 0.063 0.000 0.951 1301 R CB -1.057 29.284 30.300 0.068 0.000 0.851 1301 R HN 0.493 nan 8.270 nan 0.000 0.434 1302 A N 0.515 123.369 122.820 0.057 0.000 1.902 1302 A HA -0.160 4.161 4.320 0.000 0.000 0.217 1302 A C 2.010 179.624 177.584 0.049 0.000 1.181 1302 A CA 1.757 53.823 52.037 0.048 0.000 0.623 1302 A CB -0.507 18.530 19.000 0.061 0.000 0.818 1302 A HN 0.577 nan 8.150 nan 0.000 0.443 1303 E N -0.579 119.657 120.200 0.059 0.000 2.106 1303 E HA -0.159 4.191 4.350 0.000 0.000 0.192 1303 E C 2.332 178.966 176.600 0.057 0.000 0.984 1303 E CA 0.922 57.356 56.400 0.057 0.000 0.806 1303 E CB -0.162 29.573 29.700 0.058 0.000 0.750 1303 E HN 0.539 nan 8.360 nan 0.000 0.458 1304 R N 0.522 121.060 120.500 0.063 0.000 2.073 1304 R HA -0.073 4.268 4.340 0.000 0.000 0.234 1304 R C 2.478 178.832 176.300 0.091 0.000 1.134 1304 R CA 0.984 57.133 56.100 0.082 0.000 0.952 1304 R CB -0.234 30.116 30.300 0.083 0.000 0.850 1304 R HN 0.164 nan 8.270 nan 0.000 0.433 1305 L N 0.060 121.323 121.223 0.067 0.000 2.093 1305 L HA -0.113 4.228 4.340 0.000 0.000 0.208 1305 L C 2.790 179.676 176.870 0.027 0.000 1.085 1305 L CA 1.081 55.946 54.840 0.041 0.000 0.755 1305 L CB -0.490 41.550 42.059 -0.031 0.000 0.904 1305 L HN 0.208 nan 8.230 nan 0.000 0.435 1306 R N 0.634 121.148 120.500 0.022 0.000 2.083 1306 R HA -0.205 4.135 4.340 0.000 0.000 0.237 1306 R C 1.771 178.071 176.300 -0.001 0.000 1.137 1306 R CA 2.209 58.315 56.100 0.010 0.000 0.951 1306 R CB -0.231 30.079 30.300 0.017 0.000 0.851 1306 R HN 0.316 nan 8.270 nan 0.000 0.434 1307 D N 0.303 120.713 120.400 0.017 0.000 2.178 1307 D HA -0.164 4.476 4.640 0.000 0.000 0.201 1307 D C 1.969 178.319 176.300 0.083 0.000 0.980 1307 D CA 1.283 55.279 54.000 -0.006 0.000 0.842 1307 D CB -0.164 40.688 40.800 0.087 0.000 0.948 1307 D HN 0.368 nan 8.370 nan 0.000 0.472 1308 M N 0.060 119.747 119.600 0.145 0.000 2.159 1308 M HA -0.120 4.360 4.480 0.000 0.000 0.263 1308 M C 2.143 178.535 176.300 0.154 0.000 1.063 1308 M CA 0.790 56.210 55.300 0.201 0.000 1.110 1308 M CB 0.090 32.820 32.600 0.217 0.000 1.374 1308 M HN -0.094 nan 8.290 nan 0.000 0.411 1309 V N -0.707 119.256 119.914 0.080 0.000 2.379 1309 V HA -0.173 3.947 4.120 0.000 0.000 0.245 1309 V C 2.270 178.381 176.094 0.028 0.000 1.044 1309 V CA 1.237 63.573 62.300 0.061 0.000 1.036 1309 V CB -0.458 31.382 31.823 0.028 0.000 0.664 1309 V HN 0.248 nan 8.190 nan 0.000 0.453 1310 V N -1.095 118.783 119.914 -0.059 0.000 2.407 1310 V HA -0.242 3.879 4.120 0.000 0.000 0.248 1310 V C 1.898 177.898 176.094 -0.157 0.000 1.055 1310 V CA 1.785 63.982 62.300 -0.171 0.000 1.049 1310 V CB -0.714 30.896 31.823 -0.356 0.000 0.662 1310 V HN 0.596 nan 8.190 nan 0.000 0.455 1311 Y N 0.315 120.646 120.300 0.052 0.000 2.496 1311 Y HA 0.234 4.784 4.550 0.000 0.000 0.313 1311 Y C 1.087 177.021 175.900 0.057 0.000 1.184 1311 Y CA -0.914 57.215 58.100 0.049 0.000 1.275 1311 Y CB -1.711 36.777 38.460 0.046 0.000 1.103 1311 Y HN 0.446 nan 8.280 nan 0.000 0.513 1312 N N -0.252 118.551 118.700 0.171 0.000 2.708 1312 N HA -0.245 4.495 4.740 0.000 0.000 0.251 1312 N C 0.812 176.412 175.510 0.151 0.000 1.017 1312 N CA 0.267 53.404 53.050 0.145 0.000 0.742 1312 N CB -0.336 38.226 38.487 0.124 0.000 0.943 1312 N HN 0.159 nan 8.380 nan 0.000 0.539 1313 R N -0.285 120.318 120.500 0.171 0.000 2.153 1313 R HA 0.225 4.565 4.340 0.000 0.000 0.218 1313 R C 0.688 177.091 176.300 0.172 0.000 1.072 1313 R CA 0.523 56.717 56.100 0.157 0.000 0.990 1313 R CB 0.159 30.564 30.300 0.175 0.000 0.889 1313 R HN 0.329 nan 8.270 nan 0.000 0.452 1314 V N 0.678 120.714 119.914 0.204 0.000 3.012 1314 V HA 0.277 4.397 4.120 0.000 0.000 0.307 1314 V C -1.865 174.385 176.094 0.259 0.000 1.166 1314 V CA -1.075 61.378 62.300 0.255 0.000 0.974 1314 V CB 2.697 34.704 31.823 0.306 0.000 1.040 1314 V HN -0.017 nan 8.190 nan 0.000 0.428 1315 D N 4.835 125.461 120.400 0.377 0.000 2.454 1315 D HA 0.337 4.977 4.640 0.000 0.000 0.225 1315 D C 0.851 177.398 176.300 0.412 0.000 1.081 1315 D CA -0.153 54.062 54.000 0.359 0.000 0.864 1315 D CB 1.371 42.430 40.800 0.431 0.000 1.040 1315 D HN 0.550 nan 8.370 nan 0.000 0.517 1316 L N 2.556 123.925 121.223 0.244 0.000 2.395 1316 L HA -0.088 4.253 4.340 0.000 0.000 0.218 1316 L C 2.382 179.351 176.870 0.166 0.000 1.130 1316 L CA 0.531 55.488 54.840 0.194 0.000 0.826 1316 L CB -0.284 41.824 42.059 0.081 0.000 0.941 1316 L HN 0.369 nan 8.230 nan 0.000 0.451 1317 S N -0.264 115.511 115.700 0.125 0.000 2.419 1317 S HA -0.164 4.306 4.470 0.000 0.000 0.235 1317 S C 1.840 176.457 174.600 0.029 0.000 1.019 1317 S CA 0.748 58.981 58.200 0.055 0.000 0.982 1317 S CB -0.202 63.010 63.200 0.020 0.000 0.789 1317 S HN 0.318 nan 8.310 nan 0.000 0.490 1318 K N 1.257 121.684 120.400 0.046 0.000 2.439 1318 K HA 0.219 4.539 4.320 0.000 0.000 0.197 1318 K C 1.844 178.496 176.600 0.087 0.000 1.041 1318 K CA 0.423 56.685 56.287 -0.042 0.000 0.970 1318 K CB -0.554 31.788 32.500 -0.263 0.000 0.773 1318 K HN 0.481 nan 8.250 nan 0.000 0.479 1319 L N 0.677 121.998 121.223 0.164 0.000 2.179 1319 L HA -0.013 4.327 4.340 0.000 0.000 0.208 1319 L C 0.619 177.536 176.870 0.078 0.000 1.096 1319 L CA 0.282 55.207 54.840 0.141 0.000 0.779 1319 L CB -0.017 42.115 42.059 0.122 0.000 0.922 1319 L HN -0.212 nan 8.230 nan 0.000 0.443 1320 V N 0.799 120.744 119.914 0.052 0.000 2.372 1320 V HA 0.023 4.143 4.120 0.000 0.000 0.261 1320 V C 1.343 177.450 176.094 0.022 0.000 1.055 1320 V CA 0.448 62.767 62.300 0.032 0.000 0.930 1320 V CB 0.642 32.471 31.823 0.010 0.000 1.031 1320 V HN 0.389 nan 8.190 nan 0.000 0.479 1321 T N 0.587 115.187 114.554 0.077 0.000 3.037 1321 T HA 0.147 4.497 4.350 0.000 0.000 0.252 1321 T C 0.465 175.173 174.700 0.013 0.000 1.073 1321 T CA 0.346 62.499 62.100 0.089 0.000 1.091 1321 T CB 0.037 69.039 68.868 0.223 0.000 0.935 1321 T HN 0.602 nan 8.240 nan 0.000 0.488 1322 H N 0.025 119.010 119.070 -0.142 0.000 2.609 1322 H HA 0.737 5.293 4.556 0.000 0.000 0.344 1322 H C -1.273 173.823 175.328 -0.387 0.000 1.040 1322 H CA -0.838 55.035 56.048 -0.291 0.000 1.216 1322 H CB 1.998 31.592 29.762 -0.279 0.000 1.529 1322 H HN 0.036 nan 8.280 nan 0.000 0.519 1323 V N 4.211 123.868 119.914 -0.428 0.000 2.588 1323 V HA 0.383 4.503 4.120 0.000 0.000 0.304 1323 V C -1.064 174.702 176.094 -0.547 0.000 1.042 1323 V CA -0.804 61.274 62.300 -0.371 0.000 0.877 1323 V CB 0.964 32.672 31.823 -0.192 0.000 0.996 1323 V HN 0.643 nan 8.190 nan 0.000 0.425 1324 Y N 2.070 122.270 120.300 -0.166 0.000 2.524 1324 Y HA 0.672 5.222 4.550 0.000 0.000 0.344 1324 Y C -0.160 175.594 175.900 -0.244 0.000 1.012 1324 Y CA -0.916 57.045 58.100 -0.230 0.000 1.068 1324 Y CB 1.880 40.159 38.460 -0.301 0.000 1.249 1324 Y HN 0.640 nan 8.280 nan 0.000 0.468 1325 H N 0.410 119.548 119.070 0.114 0.000 2.587 1325 H HA 0.660 5.216 4.556 0.000 0.000 0.325 1325 H C -0.190 175.331 175.328 0.322 0.000 1.012 1325 H CA -0.552 55.598 56.048 0.170 0.000 1.213 1325 H CB 1.467 31.287 29.762 0.096 0.000 1.431 1325 H HN 0.883 nan 8.280 nan 0.000 0.492 1326 G N 2.059 111.062 108.800 0.339 0.000 3.088 1326 G HA2 -0.187 3.773 3.960 0.000 0.000 0.620 1326 G HA3 -0.187 3.773 3.960 0.000 0.000 0.620 1326 G C -0.051 174.986 174.900 0.228 0.000 1.375 1326 G CA -0.844 44.415 45.100 0.265 0.000 1.016 1326 G HN 0.472 nan 8.290 nan 0.000 0.590 1327 F N 1.713 121.670 119.950 0.012 0.000 2.147 1327 F HA -0.107 4.420 4.527 0.000 0.000 0.301 1327 F C 2.114 177.920 175.800 0.010 0.000 1.084 1327 F CA 2.487 60.501 58.000 0.024 0.000 1.268 1327 F CB 0.145 39.151 39.000 0.009 0.000 1.009 1327 F HN 0.512 nan 8.300 nan 0.000 0.486 1328 D N -1.398 118.926 120.400 -0.125 0.000 2.218 1328 D HA -0.170 4.470 4.640 0.000 0.000 0.204 1328 D C 2.106 178.221 176.300 -0.308 0.000 0.976 1328 D CA 1.120 54.930 54.000 -0.317 0.000 0.853 1328 D CB -0.566 39.985 40.800 -0.415 0.000 0.939 1328 D HN 0.430 nan 8.370 nan 0.000 0.481 1329 H N 0.113 119.071 119.070 -0.187 0.000 2.545 1329 H HA 0.036 4.592 4.556 0.000 0.000 0.282 1329 H C 2.197 177.250 175.328 -0.459 0.000 1.020 1329 H CA 0.247 56.097 56.048 -0.329 0.000 1.243 1329 H CB 0.068 29.640 29.762 -0.317 0.000 1.377 1329 H HN 0.269 nan 8.280 nan 0.000 0.581 1330 I N 0.814 121.155 120.570 -0.382 0.000 2.185 1330 I HA -0.332 3.838 4.170 0.000 0.000 0.246 1330 I C 2.653 178.262 176.117 -0.847 0.000 1.088 1330 I CA 1.583 62.465 61.300 -0.696 0.000 1.347 1330 I CB -0.228 37.155 38.000 -1.028 0.000 1.041 1330 I HN 0.296 nan 8.210 nan 0.000 0.415 1331 E N 1.231 120.888 120.200 -0.906 0.000 2.038 1331 E HA -0.314 4.036 4.350 0.000 0.000 0.195 1331 E C 2.154 178.515 176.600 -0.397 0.000 1.000 1331 E CA 1.801 57.657 56.400 -0.907 0.000 0.803 1331 E CB -0.138 29.232 29.700 -0.549 0.000 0.750 1331 E HN 0.499 nan 8.360 nan 0.000 0.448 1332 E N 0.027 120.035 120.200 -0.321 0.000 2.058 1332 E HA -0.248 4.103 4.350 0.000 0.000 0.194 1332 E C 1.988 178.431 176.600 -0.262 0.000 0.997 1332 E CA 1.190 57.441 56.400 -0.248 0.000 0.801 1332 E CB -0.251 29.284 29.700 -0.274 0.000 0.746 1332 E HN 0.346 nan 8.360 nan 0.000 0.450 1333 A N 1.741 124.339 122.820 -0.370 0.000 1.865 1333 A HA -0.194 4.127 4.320 0.000 0.000 0.217 1333 A C 2.312 179.824 177.584 -0.121 0.000 1.191 1333 A CA 1.519 53.431 52.037 -0.209 0.000 0.623 1333 A CB -0.956 17.945 19.000 -0.166 0.000 0.826 1333 A HN 0.469 nan 8.150 nan 0.000 0.444 1334 L N -0.537 120.588 121.223 -0.164 0.000 2.079 1334 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1334 L C 2.296 179.181 176.870 0.026 0.000 1.081 1334 L CA 1.313 56.135 54.840 -0.030 0.000 0.752 1334 L CB -0.192 41.880 42.059 0.022 0.000 0.896 1334 L HN 0.439 nan 8.230 nan 0.000 0.433 1335 L N -0.826 120.393 121.223 -0.007 0.000 2.201 1335 L HA -0.217 4.123 4.340 0.000 0.000 0.212 1335 L C 2.435 179.288 176.870 -0.029 0.000 1.105 1335 L CA 0.785 55.629 54.840 0.007 0.000 0.775 1335 L CB -0.376 41.680 42.059 -0.004 0.000 0.913 1335 L HN 0.339 nan 8.230 nan 0.000 0.440 1336 L N -0.940 120.255 121.223 -0.046 0.000 2.083 1336 L HA -0.210 4.130 4.340 0.000 0.000 0.209 1336 L C 2.583 179.416 176.870 -0.060 0.000 1.083 1336 L CA 0.857 55.660 54.840 -0.061 0.000 0.752 1336 L CB -0.323 41.683 42.059 -0.089 0.000 0.899 1336 L HN 0.344 nan 8.230 nan 0.000 0.433 1337 M N -0.439 119.137 119.600 -0.039 0.000 2.358 1337 M HA -0.193 4.288 4.480 0.000 0.000 0.264 1337 M C 2.087 178.366 176.300 -0.034 0.000 1.064 1337 M CA 1.447 56.728 55.300 -0.031 0.000 1.093 1337 M CB -0.930 31.668 32.600 -0.004 0.000 1.401 1337 M HN 0.230 nan 8.290 nan 0.000 0.440 1338 K N 0.322 120.701 120.400 -0.035 0.000 2.128 1338 K HA -0.099 4.221 4.320 0.000 0.000 0.202 1338 K C 1.131 177.678 176.600 -0.089 0.000 1.050 1338 K CA 1.254 57.496 56.287 -0.076 0.000 0.966 1338 K CB 0.255 32.676 32.500 -0.131 0.000 0.759 1338 K HN 0.096 nan 8.250 nan 0.000 0.454 1339 D N 0.719 121.074 120.400 -0.074 0.000 2.137 1339 D HA -0.021 4.619 4.640 0.000 0.000 0.202 1339 D C -0.450 175.820 176.300 -0.048 0.000 0.970 1339 D CA 0.920 54.882 54.000 -0.063 0.000 0.837 1339 D CB 0.185 40.955 40.800 -0.050 0.000 0.981 1339 D HN 0.078 nan 8.370 nan 0.000 0.475 1340 K N 0.628 120.998 120.400 -0.050 0.000 3.898 1340 K HA -0.103 4.217 4.320 0.000 0.000 0.282 1340 K C -2.539 174.045 176.600 -0.028 0.000 1.014 1340 K CA -0.038 56.224 56.287 -0.042 0.000 0.848 1340 K CB -1.253 31.228 32.500 -0.032 0.000 1.469 1340 K HN 0.307 nan 8.250 nan 0.000 0.446 1341 P HA -0.009 nan 4.420 nan 0.000 0.269 1341 P C 0.473 177.782 177.300 0.016 0.000 1.209 1341 P CA -0.203 62.899 63.100 0.002 0.000 0.776 1341 P CB 0.762 32.475 31.700 0.022 0.000 0.876 1342 K N 1.558 121.974 120.400 0.026 0.000 2.360 1342 K HA -0.138 4.183 4.320 0.000 0.000 0.201 1342 K C 1.060 177.689 176.600 0.049 0.000 1.046 1342 K CA 1.393 57.699 56.287 0.032 0.000 0.940 1342 K CB -0.509 32.008 32.500 0.027 0.000 0.748 1342 K HN 0.639 nan 8.250 nan 0.000 0.465 1343 D N -0.146 120.300 120.400 0.076 0.000 2.340 1343 D HA -0.021 4.620 4.640 0.000 0.000 0.217 1343 D C 0.356 176.776 176.300 0.201 0.000 1.081 1343 D CA -0.319 53.747 54.000 0.111 0.000 0.842 1343 D CB -0.185 40.676 40.800 0.101 0.000 0.934 1343 D HN -0.036 nan 8.370 nan 0.000 0.511 1344 L N 0.288 121.582 121.223 0.119 0.000 2.322 1344 L HA 0.441 4.782 4.340 0.000 0.000 0.279 1344 L C 0.173 177.060 176.870 0.029 0.000 1.036 1344 L CA -0.501 54.360 54.840 0.036 0.000 0.807 1344 L CB 1.587 43.513 42.059 -0.221 0.000 1.226 1344 L HN -0.113 nan 8.230 nan 0.000 0.433 1345 I N 1.145 121.742 120.570 0.045 0.000 3.664 1345 I HA 0.270 4.440 4.170 0.000 0.000 0.251 1345 I C -0.048 176.084 176.117 0.025 0.000 1.134 1345 I CA -0.298 61.030 61.300 0.047 0.000 1.520 1345 I CB 0.317 38.363 38.000 0.077 0.000 1.638 1345 I HN 0.399 nan 8.210 nan 0.000 0.431 1346 K N 1.463 121.886 120.400 0.038 0.000 2.469 1346 K HA 0.721 5.041 4.320 0.000 0.000 0.254 1346 K C -1.365 175.254 176.600 0.033 0.000 0.939 1346 K CA -0.447 55.854 56.287 0.024 0.000 0.812 1346 K CB 2.686 35.204 32.500 0.030 0.000 1.301 1346 K HN 0.159 nan 8.250 nan 0.000 0.433 1347 A N 1.671 124.507 122.820 0.027 0.000 2.350 1347 A HA 0.740 5.061 4.320 0.000 0.000 0.324 1347 A C -0.910 176.712 177.584 0.064 0.000 1.118 1347 A CA -0.660 51.413 52.037 0.060 0.000 0.783 1347 A CB 1.196 20.268 19.000 0.121 0.000 1.236 1347 A HN 0.297 nan 8.150 nan 0.000 0.457 1348 V N 2.249 122.188 119.914 0.042 0.000 2.604 1348 V HA 0.462 4.583 4.120 0.000 0.000 0.305 1348 V C -0.533 175.589 176.094 0.046 0.000 1.043 1348 V CA -0.544 61.776 62.300 0.034 0.000 0.888 1348 V CB 1.840 33.660 31.823 -0.005 0.000 0.995 1348 V HN 0.657 nan 8.190 nan 0.000 0.429 1349 V N 6.074 126.025 119.914 0.062 0.000 2.347 1349 V HA 0.478 4.598 4.120 0.000 0.000 0.280 1349 V C -0.116 175.994 176.094 0.026 0.000 1.021 1349 V CA -0.336 62.007 62.300 0.070 0.000 0.847 1349 V CB 1.506 33.364 31.823 0.059 0.000 0.990 1349 V HN 0.651 nan 8.190 nan 0.000 0.444 1350 I N 6.036 126.558 120.570 -0.081 0.000 2.321 1350 I HA 0.347 4.517 4.170 0.000 0.000 0.291 1350 I C 0.244 176.382 176.117 0.035 0.000 0.998 1350 I CA -0.274 60.983 61.300 -0.073 0.000 1.227 1350 I CB 1.227 39.085 38.000 -0.237 0.000 1.368 1350 I HN 0.409 nan 8.210 nan 0.000 0.466 1351 L N 0.000 121.281 121.223 0.096 0.000 2.949 1351 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1351 L CA 0.000 54.911 54.840 0.119 0.000 0.813 1351 L CB 0.000 42.104 42.059 0.075 0.000 0.961 1351 L HN 0.000 nan 8.230 nan 0.000 0.502