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 3dls_1_D DATA FIRST_RESID 982 DATA SEQUENCE AVELEGLAAC EGEYSQKYST MSPLGSGAFG FVWTAVDKEK NKEVVVKFIK DATA SEQUENCE KEKVLXDCWI EDPKLGKVTL EIAILSRVEH ANIIKVLDIF ENQGFFQLVM DATA SEQUENCE EKHGSGLDLF AFIDRHPRLD EPLASYIFRQ LVSAVGYLRL KDIIHRDIKD DATA SEQUENCE ENIVIAEDFT IKLIDFGSAA YLERGKLFYT FCGTIEYCAP EVLMGNPYRG DATA SEQUENCE PELEMWSLGV TLYTLVFEEN PFCELEETVE AAIHPPYLVS KELMSLVSGL DATA SEQUENCE LQPVPERRTT LEKLVTDPWV TQPVNLADYT WEEVF 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 982 A HA 0.000 nan 4.320 nan 0.000 0.244 982 A C 0.000 177.599 177.584 0.025 0.000 1.274 982 A CA 0.000 52.049 52.037 0.020 0.000 0.836 982 A CB 0.000 19.011 19.000 0.018 0.000 0.831 983 V N 2.402 122.330 119.914 0.023 0.000 2.479 983 V HA 0.125 4.245 4.120 -0.000 0.000 0.281 983 V C 0.842 176.954 176.094 0.029 0.000 1.031 983 V CA 0.088 62.404 62.300 0.028 0.000 1.038 983 V CB 0.700 32.533 31.823 0.018 0.000 0.981 983 V HN 0.827 nan 8.190 nan 0.000 0.478 984 E N 3.628 123.858 120.200 0.049 0.000 2.376 984 E HA 0.128 4.478 4.350 -0.000 0.000 0.266 984 E C -0.843 175.784 176.600 0.045 0.000 1.009 984 E CA -0.577 55.856 56.400 0.054 0.000 0.902 984 E CB 0.766 30.517 29.700 0.085 0.000 0.972 984 E HN 0.349 nan 8.360 nan 0.000 0.439 985 L N 4.705 125.938 121.223 0.018 0.000 2.358 985 L HA 0.078 4.418 4.340 -0.000 0.000 0.274 985 L C 0.607 177.462 176.870 -0.025 0.000 1.136 985 L CA 0.366 55.197 54.840 -0.014 0.000 0.970 985 L CB 0.342 42.382 42.059 -0.031 0.000 1.314 985 L HN 0.479 nan 8.230 nan 0.000 0.427 986 E N 1.460 121.647 120.200 -0.022 0.000 2.394 986 E HA 0.142 4.492 4.350 -0.000 0.000 0.191 986 E C 1.678 178.114 176.600 -0.273 0.000 1.044 986 E CA 0.160 56.528 56.400 -0.054 0.000 0.939 986 E CB 0.575 30.352 29.700 0.130 0.000 1.089 986 E HN 0.716 nan 8.360 nan 0.000 0.456 987 G N 1.330 109.981 108.800 -0.247 0.000 2.446 987 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 987 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 987 G C 1.795 176.500 174.900 -0.326 0.000 1.168 987 G CA 1.471 46.370 45.100 -0.336 0.000 0.771 987 G HN 0.404 nan 8.290 nan 0.000 0.551 988 L N 0.256 121.353 121.223 -0.209 0.000 2.109 988 L HA 0.576 4.916 4.340 -0.000 0.000 0.207 988 L C 3.130 179.900 176.870 -0.167 0.000 1.086 988 L CA 2.348 57.096 54.840 -0.154 0.000 0.760 988 L CB -1.543 40.463 42.059 -0.089 0.000 0.910 988 L HN 0.509 nan 8.230 nan 0.000 0.437 989 A N -0.862 121.849 122.820 -0.181 0.000 2.014 989 A HA 0.303 4.623 4.320 -0.000 0.000 0.218 989 A C 2.660 180.030 177.584 -0.356 0.000 1.163 989 A CA 1.610 53.577 52.037 -0.117 0.000 0.652 989 A CB -0.651 18.399 19.000 0.083 0.000 0.808 989 A HN 1.173 nan 8.150 nan 0.000 0.449 990 A N -1.666 120.639 122.820 -0.859 0.000 2.016 990 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 990 A C 2.025 179.267 177.584 -0.570 0.000 1.162 990 A CA 1.518 52.738 52.037 -1.363 0.000 0.662 990 A CB -0.670 17.206 19.000 -1.874 0.000 0.812 990 A HN 0.554 nan 8.150 nan 0.000 0.450 991 C N -0.459 118.641 119.300 -0.333 0.000 2.609 991 C HA 0.198 4.657 4.460 -0.000 0.000 0.305 991 C C 1.108 176.173 174.990 0.125 0.000 1.319 991 C CA 0.071 59.105 59.018 0.027 0.000 1.793 991 C CB -0.791 26.980 27.740 0.053 0.000 2.260 991 C HN 0.801 nan 8.230 nan 0.000 0.535 992 E N 1.256 121.463 120.200 0.012 0.000 2.467 992 E HA 0.380 4.730 4.350 -0.000 0.000 0.264 992 E C 0.791 177.417 176.600 0.043 0.000 1.020 992 E CA 1.173 57.586 56.400 0.020 0.000 0.945 992 E CB -0.054 29.644 29.700 -0.005 0.000 0.942 992 E HN 0.645 nan 8.360 nan 0.000 0.449 993 G N 2.549 111.355 108.800 0.011 0.000 2.484 993 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.225 993 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.225 993 G C 0.590 175.445 174.900 -0.075 0.000 1.250 993 G CA 0.118 45.212 45.100 -0.009 0.000 0.926 993 G HN 0.673 nan 8.290 nan 0.000 0.581 994 E N -0.902 119.214 120.200 -0.139 0.000 2.153 994 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 994 E C 2.084 178.225 176.600 -0.766 0.000 0.988 994 E CA 2.363 58.515 56.400 -0.413 0.000 0.811 994 E CB -0.279 29.182 29.700 -0.399 0.000 0.746 994 E HN 0.583 nan 8.360 nan 0.000 0.466 995 Y N 0.091 120.016 120.300 -0.625 0.000 2.181 995 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 995 Y C 2.234 178.080 175.900 -0.090 0.000 1.146 995 Y CA 1.917 59.838 58.100 -0.300 0.000 1.164 995 Y CB -0.382 38.136 38.460 0.097 0.000 0.982 995 Y HN -0.035 nan 8.280 nan 0.000 0.515 996 S N 0.141 115.777 115.700 -0.107 0.000 2.447 996 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 996 S C 1.693 176.170 174.600 -0.205 0.000 1.006 996 S CA 1.336 59.453 58.200 -0.137 0.000 0.957 996 S CB -0.251 62.941 63.200 -0.013 0.000 0.773 996 S HN 0.616 nan 8.310 nan 0.000 0.507 997 Q N 0.246 119.903 119.800 -0.238 0.000 2.245 997 Q HA 0.079 4.418 4.340 -0.000 0.000 0.201 997 Q C 2.115 177.953 176.000 -0.269 0.000 0.955 997 Q CA 0.835 56.508 55.803 -0.216 0.000 0.870 997 Q CB 0.077 28.697 28.738 -0.197 0.000 0.945 997 Q HN 0.353 nan 8.270 nan 0.000 0.461 998 K N -0.991 119.174 120.400 -0.392 0.000 2.306 998 K HA 0.095 4.415 4.320 -0.000 0.000 0.200 998 K C -0.451 175.747 176.600 -0.670 0.000 1.083 998 K CA 0.249 56.213 56.287 -0.539 0.000 0.959 998 K CB 0.685 32.803 32.500 -0.637 0.000 0.994 998 K HN -0.039 nan 8.250 nan 0.000 0.492 999 Y N -0.377 119.663 120.300 -0.433 0.000 2.468 999 Y HA 0.361 4.911 4.550 -0.000 0.000 0.342 999 Y C -0.373 175.295 175.900 -0.386 0.000 1.021 999 Y CA -1.011 56.833 58.100 -0.427 0.000 1.079 999 Y CB 2.180 40.302 38.460 -0.564 0.000 1.226 999 Y HN -0.231 nan 8.280 nan 0.000 0.460 1000 S N 1.054 116.768 115.700 0.024 0.000 2.498 1000 S HA 0.432 4.902 4.470 -0.000 0.000 0.317 1000 S C -0.805 173.897 174.600 0.171 0.000 1.090 1000 S CA -0.645 57.590 58.200 0.060 0.000 1.089 1000 S CB 0.265 63.492 63.200 0.044 0.000 0.997 1000 S HN 0.641 nan 8.310 nan 0.000 0.470 1001 T N 6.978 121.668 114.554 0.227 0.000 2.814 1001 T HA 0.200 4.550 4.350 -0.000 0.000 0.297 1001 T C 1.234 176.076 174.700 0.235 0.000 0.956 1001 T CA -0.386 61.877 62.100 0.271 0.000 1.123 1001 T CB 0.672 69.665 68.868 0.209 0.000 0.902 1001 T HN 0.590 nan 8.240 nan 0.000 0.528 1002 M N 1.606 121.390 119.600 0.307 0.000 2.906 1002 M HA 0.200 4.680 4.480 -0.000 0.000 0.252 1002 M C 0.848 177.370 176.300 0.369 0.000 1.359 1002 M CA 0.465 55.929 55.300 0.274 0.000 1.239 1002 M CB -0.509 32.211 32.600 0.201 0.000 1.229 1002 M HN 0.694 nan 8.290 nan 0.000 0.547 1003 S N 0.023 116.001 115.700 0.463 0.000 2.552 1003 S HA 0.581 5.051 4.470 -0.000 0.000 0.272 1003 S C -3.082 171.591 174.600 0.121 0.000 1.150 1003 S CA -1.193 57.209 58.200 0.337 0.000 0.849 1003 S CB 1.889 65.174 63.200 0.143 0.000 1.113 1003 S HN -0.054 nan 8.310 nan 0.000 0.458 1004 P HA 0.361 nan 4.420 nan 0.000 0.270 1004 P C -0.915 176.160 177.300 -0.376 0.000 1.223 1004 P CA -0.411 62.172 63.100 -0.862 0.000 0.785 1004 P CB 0.561 31.655 31.700 -1.010 0.000 0.923 1005 L N 0.666 121.706 121.223 -0.305 0.000 2.370 1005 L HA 0.561 4.901 4.340 -0.000 0.000 0.266 1005 L C 1.031 177.827 176.870 -0.123 0.000 1.002 1005 L CA -0.286 54.470 54.840 -0.139 0.000 0.818 1005 L CB 1.787 43.822 42.059 -0.040 0.000 1.325 1005 L HN 0.741 nan 8.230 nan 0.000 0.418 1006 G N 1.610 110.364 108.800 -0.076 0.000 2.591 1006 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.278 1006 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.278 1006 G C 0.430 175.281 174.900 -0.083 0.000 1.293 1006 G CA 0.492 45.562 45.100 -0.050 0.000 0.930 1006 G HN 1.747 nan 8.290 nan 0.000 0.562 1007 S N -3.130 112.528 115.700 -0.069 0.000 3.236 1007 S HA 0.254 4.724 4.470 -0.000 0.000 0.629 1007 S C 2.351 176.890 174.600 -0.101 0.000 2.873 1007 S CA 2.590 60.736 58.200 -0.090 0.000 3.603 1007 S CB -1.241 61.910 63.200 -0.082 0.000 0.287 1007 S HN 2.776 nan 8.310 nan 0.000 1.458 1008 G N -0.404 108.334 108.800 -0.104 0.000 3.286 1008 G HA2 0.742 4.702 3.960 -0.000 0.000 0.173 1008 G HA3 0.742 4.702 3.960 -0.000 0.000 0.173 1008 G C 0.522 175.323 174.900 -0.165 0.000 1.704 1008 G CA 0.775 45.812 45.100 -0.104 0.000 1.041 1008 G HN 2.229 nan 8.290 nan 0.000 0.561 1009 A N -0.992 121.743 122.820 -0.141 0.000 2.302 1009 A HA 0.674 4.994 4.320 -0.000 0.000 0.295 1009 A C 0.060 177.571 177.584 -0.121 0.000 1.235 1009 A CA -0.434 51.469 52.037 -0.223 0.000 0.876 1009 A CB -0.685 18.290 19.000 -0.042 0.000 1.133 1009 A HN 0.834 nan 8.150 nan 0.000 0.533 1010 F N 1.498 121.309 119.950 -0.231 0.000 2.169 1010 F HA -0.103 4.424 4.527 -0.000 0.000 0.314 1010 F C 1.610 177.229 175.800 -0.301 0.000 0.318 1010 F CA 1.902 59.689 58.000 -0.355 0.000 0.904 1010 F CB -1.377 37.524 39.000 -0.165 0.000 4.078 1010 F HN 1.947 nan 8.300 nan 0.000 0.173 1011 G N -1.717 107.137 108.800 0.091 0.000 2.395 1011 G HA2 0.054 4.014 3.960 -0.000 0.000 0.201 1011 G HA3 0.054 4.014 3.960 -0.000 0.000 0.201 1011 G C -0.377 174.632 174.900 0.181 0.000 1.206 1011 G CA -0.224 44.815 45.100 -0.102 0.000 1.210 1011 G HN 0.919 nan 8.290 nan 0.000 0.557 1012 F N 0.607 120.829 119.950 0.453 0.000 2.706 1012 F HA 0.493 5.020 4.527 -0.000 0.000 0.308 1012 F C 1.044 177.225 175.800 0.635 0.000 1.095 1012 F CA -0.443 57.918 58.000 0.601 0.000 1.244 1012 F CB 1.036 40.278 39.000 0.403 0.000 1.063 1012 F HN 0.271 nan 8.300 nan 0.000 0.582 1013 V N 0.204 120.446 119.914 0.548 0.000 2.398 1013 V HA 0.334 4.453 4.120 -0.000 0.000 0.286 1013 V C -0.998 175.250 176.094 0.258 0.000 1.026 1013 V CA -0.675 61.834 62.300 0.349 0.000 0.868 1013 V CB 0.975 32.888 31.823 0.149 0.000 0.982 1013 V HN 0.117 nan 8.190 nan 0.000 0.443 1014 W N 1.178 122.544 121.300 0.109 0.000 3.083 1014 W HA 0.558 5.218 4.660 -0.000 0.000 0.333 1014 W C -0.054 176.511 176.519 0.076 0.000 1.217 1014 W CA -0.669 56.755 57.345 0.133 0.000 1.170 1014 W CB 1.574 31.180 29.460 0.244 0.000 1.437 1014 W HN 0.308 nan 8.180 nan 0.000 0.557 1015 T N 2.258 117.001 114.554 0.316 0.000 2.832 1015 T HA 0.665 5.015 4.350 -0.000 0.000 0.296 1015 T C -0.010 174.850 174.700 0.266 0.000 0.968 1015 T CA 0.016 62.245 62.100 0.215 0.000 1.107 1015 T CB 0.531 69.487 68.868 0.146 0.000 0.916 1015 T HN 0.493 nan 8.240 nan 0.000 0.517 1016 A N 2.893 125.832 122.820 0.198 0.000 2.435 1016 A HA 0.878 5.198 4.320 -0.000 0.000 0.296 1016 A C -1.020 176.679 177.584 0.191 0.000 1.147 1016 A CA -0.684 51.484 52.037 0.218 0.000 0.775 1016 A CB 1.553 20.686 19.000 0.222 0.000 1.340 1016 A HN 0.625 nan 8.150 nan 0.000 0.427 1017 V N 1.427 121.474 119.914 0.221 0.000 2.531 1017 V HA 0.275 4.394 4.120 -0.000 0.000 0.301 1017 V C -0.969 175.270 176.094 0.243 0.000 1.034 1017 V CA -0.553 61.862 62.300 0.193 0.000 0.865 1017 V CB 1.765 33.657 31.823 0.116 0.000 0.995 1017 V HN 0.954 nan 8.190 nan 0.000 0.424 1018 D N 4.272 124.818 120.400 0.243 0.000 2.346 1018 D HA 0.080 4.720 4.640 -0.000 0.000 0.267 1018 D C 1.166 177.440 176.300 -0.044 0.000 1.320 1018 D CA 0.315 54.338 54.000 0.038 0.000 0.951 1018 D CB 0.897 41.744 40.800 0.078 0.000 1.079 1018 D HN 0.483 nan 8.370 nan 0.000 0.509 1019 K N 2.425 122.756 120.400 -0.114 0.000 2.280 1019 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 1019 K C 1.450 178.006 176.600 -0.073 0.000 1.047 1019 K CA 0.889 57.128 56.287 -0.080 0.000 0.942 1019 K CB 0.411 32.850 32.500 -0.101 0.000 0.739 1019 K HN 0.538 nan 8.250 nan 0.000 0.457 1020 E N 0.403 120.545 120.200 -0.097 0.000 2.021 1020 E HA -0.131 4.219 4.350 -0.000 0.000 0.189 1020 E C 2.393 178.968 176.600 -0.041 0.000 0.980 1020 E CA 1.246 57.604 56.400 -0.069 0.000 0.803 1020 E CB 0.028 29.679 29.700 -0.081 0.000 0.766 1020 E HN 0.235 nan 8.360 nan 0.000 0.449 1021 K N 1.066 121.445 120.400 -0.035 0.000 2.296 1021 K HA -0.057 4.262 4.320 -0.000 0.000 0.200 1021 K C 0.847 177.446 176.600 -0.000 0.000 1.048 1021 K CA 1.148 57.428 56.287 -0.011 0.000 0.966 1021 K CB -0.714 31.787 32.500 0.001 0.000 0.754 1021 K HN 0.353 nan 8.250 nan 0.000 0.466 1022 N N -0.652 118.050 118.700 0.003 0.000 2.783 1022 N HA -0.179 4.561 4.740 -0.000 0.000 0.247 1022 N C -0.565 174.961 175.510 0.027 0.000 1.089 1022 N CA 1.182 54.241 53.050 0.015 0.000 0.690 1022 N CB -1.069 37.422 38.487 0.006 0.000 0.991 1022 N HN 0.881 nan 8.380 nan 0.000 0.552 1023 K N -0.857 119.568 120.400 0.043 0.000 2.340 1023 K HA 0.516 4.836 4.320 -0.000 0.000 0.244 1023 K C -0.680 175.964 176.600 0.075 0.000 0.973 1023 K CA -0.952 55.364 56.287 0.047 0.000 0.828 1023 K CB 1.642 34.165 32.500 0.039 0.000 1.226 1023 K HN -0.002 nan 8.250 nan 0.000 0.437 1024 E N 1.181 121.417 120.200 0.060 0.000 2.338 1024 E HA 0.162 4.512 4.350 -0.000 0.000 0.272 1024 E C -0.139 176.505 176.600 0.074 0.000 1.029 1024 E CA -0.566 55.876 56.400 0.071 0.000 0.872 1024 E CB 1.392 31.119 29.700 0.046 0.000 1.015 1024 E HN 0.485 nan 8.360 nan 0.000 0.417 1025 V N -0.231 119.734 119.914 0.084 0.000 3.164 1025 V HA 0.652 4.772 4.120 -0.000 0.000 0.313 1025 V C -0.558 175.550 176.094 0.023 0.000 1.188 1025 V CA -0.901 61.425 62.300 0.043 0.000 1.058 1025 V CB 1.962 33.795 31.823 0.017 0.000 1.110 1025 V HN 0.325 nan 8.190 nan 0.000 0.453 1026 V N 1.038 120.943 119.914 -0.015 0.000 2.448 1026 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 1026 V C -0.345 175.704 176.094 -0.074 0.000 1.025 1026 V CA -0.465 61.832 62.300 -0.004 0.000 0.859 1026 V CB 1.597 33.427 31.823 0.012 0.000 0.988 1026 V HN 0.859 nan 8.190 nan 0.000 0.431 1027 V N 5.863 125.730 119.914 -0.077 0.000 2.435 1027 V HA 0.601 4.720 4.120 -0.000 0.000 0.290 1027 V C -0.250 175.677 176.094 -0.278 0.000 1.030 1027 V CA -0.554 61.578 62.300 -0.280 0.000 0.881 1027 V CB 1.723 33.257 31.823 -0.482 0.000 0.983 1027 V HN 0.910 nan 8.190 nan 0.000 0.445 1028 K N 6.053 126.264 120.400 -0.315 0.000 2.394 1028 K HA 0.496 4.816 4.320 -0.000 0.000 0.260 1028 K C -1.488 174.969 176.600 -0.238 0.000 0.967 1028 K CA -0.509 55.692 56.287 -0.143 0.000 0.855 1028 K CB 0.873 33.356 32.500 -0.028 0.000 1.101 1028 K HN 0.547 nan 8.250 nan 0.000 0.433 1029 F N 4.939 124.957 119.950 0.114 0.000 2.410 1029 F HA 0.365 4.892 4.527 -0.000 0.000 0.348 1029 F C 0.339 176.135 175.800 -0.006 0.000 1.106 1029 F CA -0.520 57.522 58.000 0.070 0.000 1.163 1029 F CB 0.741 39.768 39.000 0.045 0.000 1.129 1029 F HN 0.273 nan 8.300 nan 0.000 0.516 1030 I N 3.756 124.468 120.570 0.237 0.000 2.437 1030 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 1030 I C -0.226 175.861 176.117 -0.050 0.000 1.028 1030 I CA -0.789 60.532 61.300 0.036 0.000 1.142 1030 I CB 1.354 39.401 38.000 0.078 0.000 1.266 1030 I HN 0.503 nan 8.210 nan 0.000 0.461 1031 K N 5.582 125.735 120.400 -0.412 0.000 2.383 1031 K HA 0.094 4.414 4.320 -0.000 0.000 0.286 1031 K C 0.835 177.209 176.600 -0.377 0.000 1.051 1031 K CA -0.108 55.695 56.287 -0.808 0.000 0.974 1031 K CB 0.844 32.876 32.500 -0.780 0.000 0.968 1031 K HN 0.375 nan 8.250 nan 0.000 0.475 1032 K N 3.233 123.446 120.400 -0.311 0.000 2.063 1032 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 1032 K C 2.229 178.880 176.600 0.085 0.000 1.048 1032 K CA 2.174 58.474 56.287 0.021 0.000 0.928 1032 K CB -0.106 32.422 32.500 0.048 0.000 0.713 1032 K HN 0.798 nan 8.250 nan 0.000 0.442 1033 E N 1.027 121.192 120.200 -0.057 0.000 2.160 1033 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 1033 E C 1.783 178.392 176.600 0.015 0.000 0.991 1033 E CA 1.810 58.206 56.400 -0.007 0.000 0.810 1033 E CB -0.472 29.195 29.700 -0.056 0.000 0.742 1033 E HN 0.157 nan 8.360 nan 0.000 0.466 1034 K N -0.579 119.796 120.400 -0.042 0.000 2.418 1034 K HA 0.164 4.484 4.320 -0.000 0.000 0.195 1034 K C 0.344 176.929 176.600 -0.025 0.000 1.035 1034 K CA -0.054 56.219 56.287 -0.023 0.000 1.003 1034 K CB 0.221 32.696 32.500 -0.042 0.000 0.793 1034 K HN 0.307 nan 8.250 nan 0.000 0.494 1035 V N 2.508 122.400 119.914 -0.036 0.000 2.585 1035 V HA -0.013 4.107 4.120 -0.000 0.000 0.296 1035 V C 0.585 176.649 176.094 -0.050 0.000 1.035 1035 V CA -0.206 62.002 62.300 -0.153 0.000 1.084 1035 V CB 0.295 31.840 31.823 -0.463 0.000 0.953 1035 V HN 0.038 nan 8.190 nan 0.000 0.483 1039 C N 0.093 119.404 119.300 0.018 0.000 2.780 1039 C HA 0.300 4.760 4.460 -0.000 0.000 0.267 1039 C C 0.574 175.469 174.990 -0.158 0.000 1.266 1039 C CA -0.266 58.678 59.018 -0.123 0.000 1.709 1039 C CB -1.000 26.580 27.740 -0.267 0.000 1.975 1039 C HN 0.395 nan 8.230 nan 0.000 0.582 1040 W N 1.078 122.395 121.300 0.029 0.000 2.261 1040 W HA 0.543 5.203 4.660 -0.000 0.000 0.323 1040 W C 0.014 176.552 176.519 0.032 0.000 1.243 1040 W CA -0.257 57.107 57.345 0.032 0.000 1.210 1040 W CB 0.324 29.810 29.460 0.044 0.000 1.149 1040 W HN -0.139 nan 8.180 nan 0.000 0.562 1041 I N 2.079 122.824 120.570 0.292 0.000 2.686 1041 I HA 0.114 4.284 4.170 -0.000 0.000 0.295 1041 I C -0.773 175.445 176.117 0.168 0.000 1.114 1041 I CA -1.301 60.107 61.300 0.180 0.000 1.038 1041 I CB 2.026 40.099 38.000 0.122 0.000 1.238 1041 I HN 0.343 nan 8.210 nan 0.000 0.420 1042 E N 3.450 123.718 120.200 0.114 0.000 2.130 1042 E HA 0.265 4.615 4.350 -0.000 0.000 0.284 1042 E C -1.109 175.529 176.600 0.063 0.000 1.018 1042 E CA -0.048 56.404 56.400 0.086 0.000 0.817 1042 E CB 0.691 30.424 29.700 0.055 0.000 1.078 1042 E HN 0.435 nan 8.360 nan 0.000 0.396 1043 D N 4.382 124.823 120.400 0.067 0.000 2.391 1043 D HA 0.324 4.963 4.640 -0.000 0.000 0.245 1043 D C -1.940 174.385 176.300 0.042 0.000 1.069 1043 D CA -2.203 51.826 54.000 0.048 0.000 0.831 1043 D CB 1.655 42.483 40.800 0.047 0.000 1.204 1043 D HN 0.179 nan 8.370 nan 0.000 0.503 1044 P HA -0.169 nan 4.420 nan 0.000 0.216 1044 P C 0.670 177.987 177.300 0.029 0.000 1.153 1044 P CA 1.426 64.541 63.100 0.025 0.000 0.858 1044 P CB 0.247 31.956 31.700 0.015 0.000 0.789 1045 K N -1.296 119.120 120.400 0.027 0.000 2.186 1045 K HA 0.091 4.411 4.320 -0.000 0.000 0.202 1045 K C 1.773 178.395 176.600 0.037 0.000 1.052 1045 K CA 0.931 57.234 56.287 0.027 0.000 0.965 1045 K CB -0.119 32.391 32.500 0.017 0.000 0.746 1045 K HN 0.193 nan 8.250 nan 0.000 0.457 1046 L N -1.215 120.035 121.223 0.046 0.000 2.717 1046 L HA 0.244 4.584 4.340 -0.000 0.000 0.239 1046 L C 1.049 177.983 176.870 0.106 0.000 1.086 1046 L CA 0.079 54.960 54.840 0.068 0.000 0.897 1046 L CB 0.517 42.605 42.059 0.047 0.000 1.214 1046 L HN 0.309 nan 8.230 nan 0.000 0.508 1047 G N 0.760 109.616 108.800 0.093 0.000 2.481 1047 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.230 1047 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.230 1047 G C -0.322 174.666 174.900 0.146 0.000 1.210 1047 G CA -0.532 44.633 45.100 0.109 0.000 0.936 1047 G HN 0.000 nan 8.290 nan 0.000 0.583 1048 K N 1.371 121.881 120.400 0.183 0.000 2.219 1048 K HA 0.481 4.800 4.320 -0.000 0.000 0.280 1048 K C 0.684 177.582 176.600 0.497 0.000 1.104 1048 K CA 0.361 56.803 56.287 0.257 0.000 0.925 1048 K CB 0.078 32.655 32.500 0.128 0.000 1.261 1048 K HN 0.998 nan 8.250 nan 0.000 0.445 1049 V N -0.100 120.044 119.914 0.383 0.000 3.229 1049 V HA 0.517 4.637 4.120 -0.000 0.000 0.310 1049 V C 0.369 176.482 176.094 0.032 0.000 1.206 1049 V CA -0.971 61.422 62.300 0.154 0.000 1.051 1049 V CB 1.374 33.107 31.823 -0.149 0.000 1.183 1049 V HN 0.497 nan 8.190 nan 0.000 0.466 1050 T N -0.512 113.762 114.554 -0.465 0.000 2.874 1050 T HA 0.366 4.715 4.350 -0.000 0.000 0.281 1050 T C 0.618 175.164 174.700 -0.256 0.000 0.994 1050 T CA -0.086 61.733 62.100 -0.469 0.000 1.015 1050 T CB 0.944 69.436 68.868 -0.626 0.000 1.028 1050 T HN 0.775 nan 8.240 nan 0.000 0.523 1051 L N 2.397 123.510 121.223 -0.183 0.000 2.275 1051 L HA 0.140 4.480 4.340 -0.000 0.000 0.215 1051 L C 2.292 179.099 176.870 -0.106 0.000 1.119 1051 L CA 1.865 56.656 54.840 -0.081 0.000 0.790 1051 L CB -0.845 41.194 42.059 -0.033 0.000 0.919 1051 L HN 0.894 nan 8.230 nan 0.000 0.443 1052 E N -0.460 119.645 120.200 -0.158 0.000 2.047 1052 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 1052 E C 2.224 178.731 176.600 -0.156 0.000 0.987 1052 E CA 1.504 57.832 56.400 -0.119 0.000 0.799 1052 E CB -0.188 29.433 29.700 -0.131 0.000 0.752 1052 E HN 0.573 nan 8.360 nan 0.000 0.449 1053 I N 1.070 121.500 120.570 -0.233 0.000 2.202 1053 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 1053 I C 2.603 178.613 176.117 -0.179 0.000 1.091 1053 I CA 1.033 62.184 61.300 -0.247 0.000 1.368 1053 I CB -0.295 37.474 38.000 -0.385 0.000 1.058 1053 I HN 0.221 nan 8.210 nan 0.000 0.410 1054 A N 0.902 123.641 122.820 -0.136 0.000 1.883 1054 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 1054 A C 2.313 179.879 177.584 -0.030 0.000 1.186 1054 A CA 1.626 53.632 52.037 -0.052 0.000 0.624 1054 A CB -0.894 18.112 19.000 0.010 0.000 0.822 1054 A HN 0.372 nan 8.150 nan 0.000 0.444 1055 I N -0.559 119.979 120.570 -0.053 0.000 2.179 1055 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 1055 I C 2.341 178.341 176.117 -0.195 0.000 1.088 1055 I CA 1.115 62.361 61.300 -0.091 0.000 1.357 1055 I CB -0.177 37.744 38.000 -0.130 0.000 1.051 1055 I HN 0.294 nan 8.210 nan 0.000 0.409 1056 L N -0.331 120.707 121.223 -0.308 0.000 2.362 1056 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 1056 L C 2.335 179.058 176.870 -0.245 0.000 1.134 1056 L CA 0.843 55.422 54.840 -0.434 0.000 0.807 1056 L CB -0.170 41.608 42.059 -0.469 0.000 0.927 1056 L HN 0.196 nan 8.230 nan 0.000 0.447 1057 S N -0.620 114.986 115.700 -0.157 0.000 2.470 1057 S HA 0.007 4.477 4.470 -0.000 0.000 0.225 1057 S C 1.701 176.269 174.600 -0.053 0.000 1.006 1057 S CA 0.553 58.694 58.200 -0.098 0.000 0.934 1057 S CB 0.053 63.206 63.200 -0.077 0.000 0.778 1057 S HN 0.414 nan 8.310 nan 0.000 0.517 1058 R N 0.887 121.365 120.500 -0.036 0.000 2.362 1058 R HA 0.162 4.501 4.340 -0.000 0.000 0.227 1058 R C -0.009 176.324 176.300 0.055 0.000 0.905 1058 R CA 0.067 56.180 56.100 0.022 0.000 1.067 1058 R CB 0.544 30.885 30.300 0.068 0.000 1.078 1058 R HN 0.289 nan 8.270 nan 0.000 0.516 1059 V N -2.537 117.393 119.914 0.027 0.000 2.628 1059 V HA 0.845 4.965 4.120 -0.000 0.000 0.306 1059 V C -0.641 175.485 176.094 0.053 0.000 1.045 1059 V CA -0.950 61.435 62.300 0.142 0.000 0.905 1059 V CB 1.533 33.463 31.823 0.178 0.000 0.997 1059 V HN 0.082 nan 8.190 nan 0.000 0.436 1060 E N 2.278 122.521 120.200 0.072 0.000 2.302 1060 E HA 0.601 4.951 4.350 -0.000 0.000 0.263 1060 E C -1.354 175.078 176.600 -0.279 0.000 0.897 1060 E CA -0.697 55.655 56.400 -0.080 0.000 0.809 1060 E CB 1.378 31.054 29.700 -0.041 0.000 1.270 1060 E HN 1.134 nan 8.360 nan 0.000 0.410 1061 H N 0.973 119.795 119.070 -0.415 0.000 2.961 1061 H HA 0.698 5.253 4.556 -0.000 0.000 0.371 1061 H C 0.997 176.154 175.328 -0.284 0.000 1.190 1061 H CA 0.271 56.008 56.048 -0.519 0.000 1.138 1061 H CB 2.248 31.551 29.762 -0.765 0.000 1.816 1061 H HN 0.609 nan 8.280 nan 0.000 0.551 1062 A N 2.808 125.248 122.820 -0.633 0.000 2.076 1062 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 1062 A C 0.992 178.511 177.584 -0.108 0.000 1.160 1062 A CA 1.945 53.792 52.037 -0.318 0.000 0.653 1062 A CB -0.405 18.380 19.000 -0.359 0.000 0.801 1062 A HN 0.783 nan 8.150 nan 0.000 0.455 1063 N N -1.592 117.183 118.700 0.126 0.000 2.200 1063 N HA 0.369 5.109 4.740 -0.000 0.000 0.224 1063 N C -0.688 174.806 175.510 -0.027 0.000 1.179 1063 N CA -0.113 52.950 53.050 0.021 0.000 0.877 1063 N CB 0.888 39.393 38.487 0.029 0.000 1.072 1063 N HN 0.362 nan 8.380 nan 0.000 0.519 1064 I N 0.845 121.415 120.570 -0.000 0.000 2.441 1064 I HA 0.297 4.467 4.170 -0.000 0.000 0.295 1064 I C -0.222 175.864 176.117 -0.051 0.000 0.994 1064 I CA -1.130 60.175 61.300 0.009 0.000 1.144 1064 I CB 1.781 39.807 38.000 0.043 0.000 1.314 1064 I HN -0.061 nan 8.210 nan 0.000 0.445 1065 I N 6.088 126.639 120.570 -0.031 0.000 2.815 1065 I HA -0.073 4.097 4.170 -0.000 0.000 0.291 1065 I C 0.433 176.497 176.117 -0.088 0.000 1.209 1065 I CA 0.576 61.840 61.300 -0.061 0.000 1.431 1065 I CB 0.213 38.203 38.000 -0.017 0.000 1.351 1065 I HN 0.516 nan 8.210 nan 0.000 0.585 1066 K N 6.346 126.701 120.400 -0.075 0.000 2.183 1066 K HA 0.457 4.777 4.320 -0.000 0.000 0.274 1066 K C -1.356 175.199 176.600 -0.076 0.000 1.009 1066 K CA -0.721 55.519 56.287 -0.079 0.000 0.888 1066 K CB 1.034 33.498 32.500 -0.059 0.000 1.078 1066 K HN 0.439 nan 8.250 nan 0.000 0.459 1067 V N 6.839 126.697 119.914 -0.095 0.000 2.488 1067 V HA 0.065 4.185 4.120 -0.000 0.000 0.277 1067 V C 1.145 177.197 176.094 -0.069 0.000 1.046 1067 V CA -0.155 62.087 62.300 -0.097 0.000 0.986 1067 V CB 1.002 32.751 31.823 -0.124 0.000 0.989 1067 V HN 0.850 nan 8.190 nan 0.000 0.475 1068 L N 2.267 123.457 121.223 -0.055 0.000 2.316 1068 L HA 0.396 4.736 4.340 -0.000 0.000 0.207 1068 L C 0.297 177.154 176.870 -0.022 0.000 1.070 1068 L CA 0.738 55.573 54.840 -0.007 0.000 0.820 1068 L CB 0.259 42.349 42.059 0.053 0.000 0.992 1068 L HN 0.602 nan 8.230 nan 0.000 0.466 1069 D N -0.657 119.684 120.400 -0.098 0.000 2.654 1069 D HA 0.414 5.054 4.640 -0.000 0.000 0.231 1069 D C -1.480 174.601 176.300 -0.365 0.000 1.239 1069 D CA -0.300 53.533 54.000 -0.279 0.000 0.790 1069 D CB 3.481 44.109 40.800 -0.287 0.000 1.480 1069 D HN -0.156 nan 8.370 nan 0.000 0.442 1070 I N 1.418 121.685 120.570 -0.504 0.000 2.468 1070 I HA 0.501 4.670 4.170 -0.000 0.000 0.285 1070 I C -1.657 174.239 176.117 -0.369 0.000 1.039 1070 I CA -0.413 60.693 61.300 -0.322 0.000 1.074 1070 I CB 0.669 38.580 38.000 -0.149 0.000 1.228 1070 I HN 0.144 nan 8.210 nan 0.000 0.436 1071 F N 5.441 125.510 119.950 0.198 0.000 2.613 1071 F HA 0.684 5.211 4.527 -0.000 0.000 0.342 1071 F C 0.036 175.994 175.800 0.264 0.000 1.066 1071 F CA -0.718 57.415 58.000 0.223 0.000 1.002 1071 F CB 1.378 40.527 39.000 0.247 0.000 1.319 1071 F HN 0.453 nan 8.300 nan 0.000 0.495 1072 E N 0.154 120.595 120.200 0.400 0.000 2.363 1072 E HA 0.295 4.644 4.350 -0.000 0.000 0.281 1072 E C -1.437 175.221 176.600 0.096 0.000 0.953 1072 E CA -0.561 55.926 56.400 0.145 0.000 0.778 1072 E CB 1.407 31.126 29.700 0.031 0.000 1.220 1072 E HN 0.677 nan 8.360 nan 0.000 0.431 1073 N N 2.827 121.546 118.700 0.032 0.000 2.299 1073 N HA 0.112 4.852 4.740 -0.000 0.000 0.246 1073 N C 0.694 176.206 175.510 0.004 0.000 1.254 1073 N CA 0.940 54.016 53.050 0.043 0.000 0.879 1073 N CB 0.950 39.484 38.487 0.078 0.000 1.214 1073 N HN 0.753 nan 8.380 nan 0.000 0.510 1074 Q N -0.827 118.930 119.800 -0.071 0.000 2.608 1074 Q HA -0.197 4.143 4.340 -0.000 0.000 0.154 1074 Q C 1.549 177.505 176.000 -0.074 0.000 1.090 1074 Q CA 2.423 58.176 55.803 -0.084 0.000 1.183 1074 Q CB -2.680 26.033 28.738 -0.042 0.000 1.087 1074 Q HN 0.702 nan 8.270 nan 0.000 1.015 1075 G N -1.826 106.972 108.800 -0.003 0.000 2.408 1075 G HA2 0.463 4.423 3.960 -0.000 0.000 0.213 1075 G HA3 0.463 4.423 3.960 -0.000 0.000 0.213 1075 G C 0.633 175.452 174.900 -0.136 0.000 1.177 1075 G CA 0.912 46.021 45.100 0.015 0.000 0.802 1075 G HN 0.804 nan 8.290 nan 0.000 0.533 1076 F N -1.870 118.011 119.950 -0.115 0.000 2.640 1076 F HA 0.661 5.188 4.527 -0.000 0.000 0.324 1076 F C -0.782 174.904 175.800 -0.189 0.000 1.077 1076 F CA -1.251 56.692 58.000 -0.095 0.000 0.965 1076 F CB 2.025 41.020 39.000 -0.007 0.000 1.351 1076 F HN -0.141 nan 8.300 nan 0.000 0.487 1077 F N 0.414 120.508 119.950 0.239 0.000 2.458 1077 F HA 0.516 5.043 4.527 -0.000 0.000 0.330 1077 F C -0.579 175.315 175.800 0.157 0.000 1.082 1077 F CA -0.717 57.381 58.000 0.164 0.000 0.995 1077 F CB 1.751 40.785 39.000 0.056 0.000 1.170 1077 F HN 0.238 nan 8.300 nan 0.000 0.478 1078 Q N 3.405 123.390 119.800 0.308 0.000 2.454 1078 Q HA 0.346 4.686 4.340 -0.000 0.000 0.255 1078 Q C -0.912 175.086 176.000 -0.002 0.000 1.034 1078 Q CA -0.107 55.707 55.803 0.018 0.000 0.736 1078 Q CB 1.783 30.495 28.738 -0.043 0.000 1.210 1078 Q HN 0.520 nan 8.270 nan 0.000 0.500 1079 L N 3.679 124.839 121.223 -0.105 0.000 2.295 1079 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 1079 L C -0.988 175.780 176.870 -0.169 0.000 1.079 1079 L CA -0.654 54.113 54.840 -0.121 0.000 0.830 1079 L CB 0.513 42.503 42.059 -0.115 0.000 1.200 1079 L HN 0.372 nan 8.230 nan 0.000 0.438 1080 V N 6.499 126.317 119.914 -0.160 0.000 2.394 1080 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 1080 V C 0.339 176.351 176.094 -0.137 0.000 1.031 1080 V CA -0.303 61.880 62.300 -0.195 0.000 0.881 1080 V CB 1.560 33.207 31.823 -0.294 0.000 0.982 1080 V HN 0.804 nan 8.190 nan 0.000 0.451 1081 M N 3.023 122.557 119.600 -0.110 0.000 2.716 1081 M HA 0.500 4.980 4.480 -0.000 0.000 0.307 1081 M C -0.041 176.238 176.300 -0.036 0.000 1.223 1081 M CA -0.799 54.460 55.300 -0.067 0.000 0.871 1081 M CB 2.020 34.588 32.600 -0.053 0.000 1.739 1081 M HN 0.785 nan 8.290 nan 0.000 0.475 1082 E N 0.939 121.129 120.200 -0.017 0.000 2.437 1082 E HA 0.079 4.429 4.350 -0.000 0.000 0.263 1082 E C -0.893 175.720 176.600 0.021 0.000 1.030 1082 E CA -0.260 56.145 56.400 0.008 0.000 0.934 1082 E CB 0.724 30.431 29.700 0.013 0.000 0.943 1082 E HN 0.425 nan 8.360 nan 0.000 0.444 1083 K N 2.010 122.427 120.400 0.028 0.000 2.234 1083 K HA 0.110 4.429 4.320 -0.000 0.000 0.277 1083 K C -1.353 175.274 176.600 0.045 0.000 1.038 1083 K CA -0.678 55.628 56.287 0.033 0.000 0.888 1083 K CB 0.631 33.141 32.500 0.017 0.000 1.091 1083 K HN 0.585 nan 8.250 nan 0.000 0.467 1084 H N 3.370 122.409 119.070 -0.051 0.000 2.594 1084 H HA 0.338 4.894 4.556 -0.000 0.000 0.304 1084 H C 0.623 175.889 175.328 -0.104 0.000 1.068 1084 H CA 1.269 57.271 56.048 -0.076 0.000 1.308 1084 H CB 0.953 30.675 29.762 -0.068 0.000 1.409 1084 H HN 0.941 nan 8.280 nan 0.000 0.460 1085 G N 2.950 111.477 108.800 -0.454 0.000 2.582 1085 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.288 1085 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.288 1085 G C 0.928 175.694 174.900 -0.223 0.000 1.247 1085 G CA 0.535 45.393 45.100 -0.403 0.000 0.972 1085 G HN 1.139 nan 8.290 nan 0.000 0.557 1086 S N 0.202 115.781 115.700 -0.201 0.000 2.614 1086 S HA 0.472 4.942 4.470 -0.000 0.000 0.230 1086 S C 1.686 176.253 174.600 -0.055 0.000 0.952 1086 S CA 1.019 59.150 58.200 -0.114 0.000 0.949 1086 S CB 0.156 63.290 63.200 -0.110 0.000 0.786 1086 S HN 2.789 nan 8.310 nan 0.000 0.478 1087 G N 0.935 109.710 108.800 -0.042 0.000 2.256 1087 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.272 1087 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.272 1087 G C -0.438 174.474 174.900 0.020 0.000 1.076 1087 G CA 0.184 45.284 45.100 0.000 0.000 0.882 1087 G HN 0.757 nan 8.290 nan 0.000 0.497 1088 L N 1.318 122.554 121.223 0.021 0.000 2.276 1088 L HA 0.661 5.001 4.340 -0.000 0.000 0.286 1088 L C 0.357 177.298 176.870 0.119 0.000 1.024 1088 L CA -0.611 54.275 54.840 0.077 0.000 0.826 1088 L CB 0.855 42.947 42.059 0.056 0.000 1.211 1088 L HN 0.382 nan 8.230 nan 0.000 0.422 1089 D N 2.822 123.315 120.400 0.154 0.000 2.451 1089 D HA 0.142 4.782 4.640 -0.000 0.000 0.259 1089 D C 0.908 177.358 176.300 0.250 0.000 1.201 1089 D CA -0.627 53.472 54.000 0.165 0.000 1.028 1089 D CB 0.741 41.625 40.800 0.139 0.000 1.095 1089 D HN 0.338 nan 8.370 nan 0.000 0.539 1090 L N -0.602 120.757 121.223 0.227 0.000 2.291 1090 L HA 0.082 4.421 4.340 -0.000 0.000 0.214 1090 L C 1.665 178.748 176.870 0.355 0.000 1.120 1090 L CA 1.146 56.155 54.840 0.282 0.000 0.799 1090 L CB -0.870 41.302 42.059 0.188 0.000 0.925 1090 L HN 0.577 nan 8.230 nan 0.000 0.446 1091 F N -0.207 119.855 119.950 0.187 0.000 2.146 1091 F HA -0.158 4.368 4.527 -0.000 0.000 0.298 1091 F C 2.314 178.212 175.800 0.163 0.000 1.096 1091 F CA 1.319 59.415 58.000 0.161 0.000 1.275 1091 F CB -0.260 38.811 39.000 0.117 0.000 1.008 1091 F HN 0.075 nan 8.300 nan 0.000 0.480 1092 A N -0.095 122.976 122.820 0.419 0.000 1.898 1092 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 1092 A C 2.121 179.911 177.584 0.343 0.000 1.181 1092 A CA 1.516 53.753 52.037 0.332 0.000 0.620 1092 A CB -1.574 17.614 19.000 0.312 0.000 0.819 1092 A HN 0.514 nan 8.150 nan 0.000 0.442 1093 F N 0.615 120.728 119.950 0.272 0.000 2.069 1093 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 1093 F C 1.957 177.854 175.800 0.163 0.000 1.113 1093 F CA 2.008 60.230 58.000 0.369 0.000 1.214 1093 F CB -0.289 38.897 39.000 0.310 0.000 0.978 1093 F HN 0.174 nan 8.300 nan 0.000 0.474 1094 I N 0.108 120.741 120.570 0.104 0.000 2.286 1094 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 1094 I C 2.303 178.226 176.117 -0.324 0.000 1.115 1094 I CA 1.691 62.920 61.300 -0.117 0.000 1.392 1094 I CB -0.628 37.355 38.000 -0.029 0.000 1.065 1094 I HN 0.243 nan 8.210 nan 0.000 0.418 1095 D N 1.040 121.235 120.400 -0.340 0.000 2.263 1095 D HA -0.169 4.471 4.640 -0.000 0.000 0.208 1095 D C 1.686 177.618 176.300 -0.614 0.000 0.971 1095 D CA 0.814 54.541 54.000 -0.453 0.000 0.867 1095 D CB 0.204 40.838 40.800 -0.276 0.000 0.929 1095 D HN 0.258 nan 8.370 nan 0.000 0.492 1096 R N 0.263 120.444 120.500 -0.531 0.000 2.320 1096 R HA 0.009 4.349 4.340 -0.000 0.000 0.211 1096 R C -0.026 175.939 176.300 -0.557 0.000 0.931 1096 R CA -0.128 55.621 56.100 -0.584 0.000 1.071 1096 R CB -0.592 29.252 30.300 -0.760 0.000 1.025 1096 R HN 0.349 nan 8.270 nan 0.000 0.495 1097 H N 0.419 119.291 119.070 -0.331 0.000 2.604 1097 H HA -0.082 4.474 4.556 -0.000 0.000 0.324 1097 H C -1.891 173.218 175.328 -0.365 0.000 1.068 1097 H CA 0.135 56.005 56.048 -0.296 0.000 1.091 1097 H CB -1.598 28.031 29.762 -0.222 0.000 1.611 1097 H HN 0.287 nan 8.280 nan 0.000 0.387 1098 P HA 0.221 nan 4.420 nan 0.000 0.272 1098 P C 0.591 177.738 177.300 -0.255 0.000 1.230 1098 P CA -0.142 62.687 63.100 -0.453 0.000 0.788 1098 P CB 0.558 31.817 31.700 -0.736 0.000 0.949 1099 R N 2.385 122.767 120.500 -0.197 0.000 3.268 1099 R HA 0.276 4.616 4.340 -0.000 0.000 0.217 1099 R C -0.040 176.215 176.300 -0.076 0.000 1.568 1099 R CA -0.072 55.961 56.100 -0.112 0.000 1.322 1099 R CB -1.220 29.038 30.300 -0.070 0.000 1.280 1099 R HN 0.517 nan 8.270 nan 0.000 0.667 1100 L N 3.123 124.296 121.223 -0.084 0.000 2.313 1100 L HA 0.464 4.804 4.340 -0.000 0.000 0.283 1100 L C -1.053 175.793 176.870 -0.041 0.000 1.013 1100 L CA -0.724 54.083 54.840 -0.055 0.000 0.816 1100 L CB 1.938 44.005 42.059 0.012 0.000 1.236 1100 L HN 0.827 nan 8.230 nan 0.000 0.419 1101 D N 2.293 122.659 120.400 -0.057 0.000 2.449 1101 D HA 0.183 4.822 4.640 -0.000 0.000 0.250 1101 D C 0.536 176.839 176.300 0.006 0.000 1.050 1101 D CA -0.607 53.395 54.000 0.003 0.000 1.024 1101 D CB 0.881 41.712 40.800 0.052 0.000 1.218 1101 D HN 0.454 nan 8.370 nan 0.000 0.566 1102 E N -0.438 119.811 120.200 0.081 0.000 2.085 1102 E HA -0.131 4.218 4.350 -0.000 0.000 0.194 1102 E C -0.925 175.611 176.600 -0.106 0.000 0.994 1102 E CA 1.355 57.852 56.400 0.163 0.000 0.801 1102 E CB -1.014 28.880 29.700 0.322 0.000 0.743 1102 E HN 0.444 nan 8.360 nan 0.000 0.453 1103 P HA -0.170 nan 4.420 nan 0.000 0.215 1103 P C 1.536 178.689 177.300 -0.245 0.000 1.157 1103 P CA 0.921 63.903 63.100 -0.196 0.000 0.868 1103 P CB 0.023 31.713 31.700 -0.017 0.000 0.788 1104 L N -0.912 120.097 121.223 -0.357 0.000 2.240 1104 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 1104 L C 2.134 178.877 176.870 -0.212 0.000 1.106 1104 L CA 1.398 55.943 54.840 -0.491 0.000 0.793 1104 L CB -1.466 39.911 42.059 -1.138 0.000 0.927 1104 L HN -0.153 nan 8.230 nan 0.000 0.446 1105 A N -0.612 122.132 122.820 -0.128 0.000 1.902 1105 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 1105 A C 2.485 180.093 177.584 0.040 0.000 1.181 1105 A CA 2.040 54.097 52.037 0.032 0.000 0.623 1105 A CB -1.114 17.980 19.000 0.156 0.000 0.818 1105 A HN 0.636 nan 8.150 nan 0.000 0.443 1106 S N -1.939 113.601 115.700 -0.267 0.000 2.453 1106 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 1106 S C 1.861 176.402 174.600 -0.098 0.000 1.005 1106 S CA 1.247 59.170 58.200 -0.463 0.000 0.949 1106 S CB -0.666 61.772 63.200 -1.270 0.000 0.774 1106 S HN 0.639 nan 8.310 nan 0.000 0.510 1107 Y N 2.170 122.362 120.300 -0.179 0.000 2.263 1107 Y HA 0.164 4.714 4.550 -0.000 0.000 0.292 1107 Y C 1.790 177.672 175.900 -0.030 0.000 1.130 1107 Y CA 0.878 58.918 58.100 -0.100 0.000 1.179 1107 Y CB -0.405 37.983 38.460 -0.121 0.000 0.998 1107 Y HN 0.249 nan 8.280 nan 0.000 0.532 1108 I N -1.094 119.406 120.570 -0.117 0.000 2.252 1108 I HA -0.265 3.904 4.170 -0.000 0.000 0.245 1108 I C 2.101 178.192 176.117 -0.043 0.000 1.102 1108 I CA 1.451 62.668 61.300 -0.139 0.000 1.385 1108 I CB -0.514 37.471 38.000 -0.026 0.000 1.064 1108 I HN 0.199 nan 8.210 nan 0.000 0.414 1109 F N 2.438 122.353 119.950 -0.059 0.000 2.206 1109 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 1109 F C 2.758 178.546 175.800 -0.020 0.000 1.090 1109 F CA 1.387 59.391 58.000 0.007 0.000 1.323 1109 F CB -0.256 38.833 39.000 0.148 0.000 1.028 1109 F HN -0.040 nan 8.300 nan 0.000 0.492 1110 R N 0.129 120.598 120.500 -0.052 0.000 2.115 1110 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 1110 R C 1.797 177.984 176.300 -0.188 0.000 1.111 1110 R CA 1.641 57.669 56.100 -0.120 0.000 0.976 1110 R CB -1.010 29.274 30.300 -0.026 0.000 0.870 1110 R HN 0.364 nan 8.270 nan 0.000 0.445 1111 Q N 0.656 120.319 119.800 -0.229 0.000 2.167 1111 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 1111 Q C 2.061 177.938 176.000 -0.206 0.000 0.970 1111 Q CA 1.163 56.839 55.803 -0.211 0.000 0.855 1111 Q CB -0.045 28.520 28.738 -0.290 0.000 0.911 1111 Q HN 0.292 nan 8.270 nan 0.000 0.438 1112 L N -0.309 120.746 121.223 -0.279 0.000 2.131 1112 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 1112 L C 1.968 178.620 176.870 -0.363 0.000 1.087 1112 L CA 1.217 55.869 54.840 -0.314 0.000 0.767 1112 L CB -0.225 41.640 42.059 -0.324 0.000 0.917 1112 L HN -0.067 nan 8.230 nan 0.000 0.441 1113 V N -0.999 118.637 119.914 -0.463 0.000 2.515 1113 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 1113 V C 2.738 178.719 176.094 -0.189 0.000 1.058 1113 V CA 1.697 63.789 62.300 -0.346 0.000 1.064 1113 V CB -0.562 31.049 31.823 -0.353 0.000 0.675 1113 V HN 0.616 nan 8.190 nan 0.000 0.461 1114 S N -0.222 115.385 115.700 -0.154 0.000 2.383 1114 S HA -0.116 4.353 4.470 -0.000 0.000 0.227 1114 S C 2.122 176.582 174.600 -0.233 0.000 1.026 1114 S CA 1.425 59.584 58.200 -0.070 0.000 0.981 1114 S CB -0.197 63.030 63.200 0.045 0.000 0.818 1114 S HN 0.604 nan 8.310 nan 0.000 0.472 1115 A N 0.681 123.301 122.820 -0.333 0.000 1.898 1115 A HA 0.039 4.358 4.320 -0.000 0.000 0.216 1115 A C 2.276 179.717 177.584 -0.238 0.000 1.181 1115 A CA 1.621 53.362 52.037 -0.492 0.000 0.620 1115 A CB -0.880 17.948 19.000 -0.287 0.000 0.819 1115 A HN 0.441 nan 8.150 nan 0.000 0.442 1116 V N -0.063 119.748 119.914 -0.172 0.000 2.427 1116 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 1116 V C 2.780 178.844 176.094 -0.050 0.000 1.051 1116 V CA 1.718 63.959 62.300 -0.098 0.000 1.048 1116 V CB -1.356 30.399 31.823 -0.113 0.000 0.666 1116 V HN 0.600 nan 8.190 nan 0.000 0.456 1117 G N -1.168 107.601 108.800 -0.052 0.000 2.418 1117 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 1117 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 1117 G C 1.494 176.408 174.900 0.024 0.000 1.158 1117 G CA 1.185 46.281 45.100 -0.006 0.000 0.771 1117 G HN 0.552 nan 8.290 nan 0.000 0.545 1118 Y N 1.242 121.470 120.300 -0.119 0.000 2.049 1118 Y HA -0.111 4.439 4.550 -0.000 0.000 0.277 1118 Y C 2.665 178.542 175.900 -0.038 0.000 1.143 1118 Y CA 1.721 59.773 58.100 -0.080 0.000 1.115 1118 Y CB -0.501 37.837 38.460 -0.204 0.000 0.975 1118 Y HN 0.095 nan 8.280 nan 0.000 0.487 1119 L N 0.087 121.305 121.223 -0.008 0.000 2.081 1119 L HA -0.280 4.059 4.340 -0.000 0.000 0.212 1119 L C 2.630 179.457 176.870 -0.071 0.000 1.080 1119 L CA 1.729 56.540 54.840 -0.049 0.000 0.754 1119 L CB -0.644 41.463 42.059 0.080 0.000 0.893 1119 L HN 0.190 nan 8.230 nan 0.000 0.433 1120 R N 0.809 121.285 120.500 -0.040 0.000 2.083 1120 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 1120 R C 2.135 178.418 176.300 -0.028 0.000 1.137 1120 R CA 1.768 57.860 56.100 -0.014 0.000 0.951 1120 R CB -0.898 29.403 30.300 0.002 0.000 0.851 1120 R HN 0.240 nan 8.270 nan 0.000 0.434 1121 L N 0.888 122.069 121.223 -0.070 0.000 2.131 1121 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 1121 L C 1.197 178.005 176.870 -0.104 0.000 1.092 1121 L CA 1.848 56.640 54.840 -0.080 0.000 0.759 1121 L CB -0.245 41.756 42.059 -0.097 0.000 0.903 1121 L HN 0.107 nan 8.230 nan 0.000 0.435 1122 K N -0.100 120.198 120.400 -0.170 0.000 2.525 1122 K HA -0.020 4.299 4.320 -0.000 0.000 0.192 1122 K C -0.107 176.524 176.600 0.051 0.000 1.029 1122 K CA 0.698 56.922 56.287 -0.105 0.000 1.029 1122 K CB -0.474 31.911 32.500 -0.192 0.000 0.814 1122 K HN 0.368 nan 8.250 nan 0.000 0.503 1123 D N 0.677 121.106 120.400 0.049 0.000 2.811 1123 D HA -0.175 4.465 4.640 -0.000 0.000 0.231 1123 D C -0.776 175.606 176.300 0.137 0.000 1.157 1123 D CA 0.638 54.710 54.000 0.120 0.000 0.716 1123 D CB -1.203 39.695 40.800 0.164 0.000 1.077 1123 D HN 0.314 nan 8.370 nan 0.000 0.428 1124 I N 0.379 120.963 120.570 0.024 0.000 2.377 1124 I HA 0.457 4.626 4.170 -0.000 0.000 0.293 1124 I C -0.011 176.095 176.117 -0.018 0.000 0.987 1124 I CA -0.958 60.298 61.300 -0.073 0.000 1.185 1124 I CB 1.482 39.411 38.000 -0.117 0.000 1.341 1124 I HN -0.091 nan 8.210 nan 0.000 0.455 1125 I N 5.645 126.192 120.570 -0.039 0.000 2.410 1125 I HA 0.187 4.357 4.170 -0.000 0.000 0.286 1125 I C 1.114 177.176 176.117 -0.091 0.000 1.009 1125 I CA -0.055 61.226 61.300 -0.031 0.000 1.111 1125 I CB 1.117 39.113 38.000 -0.006 0.000 1.262 1125 I HN 0.569 nan 8.210 nan 0.000 0.443 1126 H N 6.919 125.877 119.070 -0.187 0.000 2.357 1126 H HA -0.037 4.519 4.556 -0.000 0.000 0.301 1126 H C 0.984 176.132 175.328 -0.300 0.000 1.082 1126 H CA 2.167 58.024 56.048 -0.318 0.000 1.342 1126 H CB 0.438 29.954 29.762 -0.410 0.000 1.389 1126 H HN 0.679 nan 8.280 nan 0.000 0.511 1127 R N -0.873 119.556 120.500 -0.119 0.000 3.840 1127 R HA -0.164 4.176 4.340 -0.000 0.000 0.464 1127 R C -0.379 175.819 176.300 -0.169 0.000 0.986 1127 R CA 1.196 57.185 56.100 -0.185 0.000 1.305 1127 R CB -1.365 28.758 30.300 -0.297 0.000 1.950 1127 R HN 0.301 nan 8.270 nan 0.000 0.526 1128 D N 0.253 120.638 120.400 -0.026 0.000 2.908 1128 D HA 0.262 4.901 4.640 -0.000 0.000 0.361 1128 D C -0.475 175.814 176.300 -0.019 0.000 1.416 1128 D CA -0.254 53.707 54.000 -0.065 0.000 0.796 1128 D CB 0.303 41.008 40.800 -0.158 0.000 1.185 1128 D HN 0.161 nan 8.370 nan 0.000 0.451 1129 I N 2.172 122.716 120.570 -0.043 0.000 2.517 1129 I HA 0.110 4.280 4.170 -0.000 0.000 0.285 1129 I C 0.492 176.442 176.117 -0.279 0.000 1.106 1129 I CA 0.559 61.744 61.300 -0.192 0.000 1.402 1129 I CB 0.155 38.067 38.000 -0.147 0.000 1.399 1129 I HN 0.035 nan 8.210 nan 0.000 0.535 1130 K N 3.033 123.248 120.400 -0.309 0.000 2.711 1130 K HA 0.228 4.548 4.320 -0.000 0.000 0.294 1130 K C -0.272 176.268 176.600 -0.100 0.000 1.037 1130 K CA -0.833 55.200 56.287 -0.423 0.000 0.858 1130 K CB 0.678 32.557 32.500 -1.035 0.000 1.521 1130 K HN 0.314 nan 8.250 nan 0.000 0.386 1131 D N 0.682 121.135 120.400 0.088 0.000 2.133 1131 D HA -0.263 4.376 4.640 -0.000 0.000 0.195 1131 D C 1.153 177.548 176.300 0.159 0.000 0.997 1131 D CA 1.628 55.741 54.000 0.188 0.000 0.840 1131 D CB -0.250 40.749 40.800 0.331 0.000 0.947 1131 D HN 0.670 nan 8.370 nan 0.000 0.452 1132 E N -0.155 120.118 120.200 0.122 0.000 2.171 1132 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 1132 E C 0.684 177.290 176.600 0.009 0.000 0.997 1132 E CA 0.869 57.296 56.400 0.045 0.000 0.810 1132 E CB -0.058 29.603 29.700 -0.066 0.000 0.738 1132 E HN 0.305 nan 8.360 nan 0.000 0.467 1133 N N 0.043 118.724 118.700 -0.032 0.000 2.295 1133 N HA 0.160 4.900 4.740 -0.000 0.000 0.221 1133 N C -0.539 174.932 175.510 -0.065 0.000 1.129 1133 N CA 0.291 53.315 53.050 -0.043 0.000 0.836 1133 N CB 0.630 39.082 38.487 -0.058 0.000 1.040 1133 N HN 0.088 nan 8.380 nan 0.000 0.494 1134 I N 0.475 121.029 120.570 -0.026 0.000 2.466 1134 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 1134 I C -0.526 175.600 176.117 0.015 0.000 1.026 1134 I CA -0.881 60.400 61.300 -0.033 0.000 1.078 1134 I CB 2.468 40.451 38.000 -0.029 0.000 1.249 1134 I HN -0.350 nan 8.210 nan 0.000 0.429 1135 V N 6.983 126.899 119.914 0.003 0.000 2.435 1135 V HA 0.473 4.593 4.120 -0.000 0.000 0.290 1135 V C -0.210 175.956 176.094 0.120 0.000 1.030 1135 V CA -0.623 61.719 62.300 0.069 0.000 0.881 1135 V CB 2.113 33.991 31.823 0.093 0.000 0.983 1135 V HN 0.535 nan 8.190 nan 0.000 0.445 1136 I N 3.735 124.369 120.570 0.106 0.000 2.433 1136 I HA 0.801 4.971 4.170 -0.000 0.000 0.292 1136 I C 0.325 176.368 176.117 -0.124 0.000 1.001 1136 I CA -0.366 60.961 61.300 0.046 0.000 1.119 1136 I CB 1.630 39.574 38.000 -0.093 0.000 1.289 1136 I HN 0.754 nan 8.210 nan 0.000 0.438 1137 A N 4.329 126.986 122.820 -0.271 0.000 2.247 1137 A HA 0.604 4.924 4.320 -0.000 0.000 0.313 1137 A C 1.027 178.066 177.584 -0.908 0.000 1.109 1137 A CA 0.406 52.046 52.037 -0.662 0.000 0.890 1137 A CB 0.396 18.904 19.000 -0.821 0.000 1.239 1137 A HN 0.870 nan 8.150 nan 0.000 0.506 1138 E N 0.071 119.599 120.200 -1.120 0.000 2.153 1138 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 1138 E C 0.976 177.066 176.600 -0.850 0.000 0.988 1138 E CA 1.680 57.233 56.400 -1.411 0.000 0.811 1138 E CB -0.741 28.339 29.700 -1.033 0.000 0.746 1138 E HN 0.765 nan 8.360 nan 0.000 0.466 1139 D N -1.776 118.305 120.400 -0.532 0.000 2.319 1139 D HA 0.081 4.721 4.640 -0.000 0.000 0.230 1139 D C -0.017 176.278 176.300 -0.009 0.000 1.094 1139 D CA -0.083 53.757 54.000 -0.267 0.000 0.856 1139 D CB -0.635 40.115 40.800 -0.083 0.000 0.915 1139 D HN 0.400 nan 8.370 nan 0.000 0.517 1140 F N -1.002 119.036 119.950 0.146 0.000 2.840 1140 F HA -0.226 4.300 4.527 -0.000 0.000 0.310 1140 F C 0.443 176.331 175.800 0.147 0.000 0.688 1140 F CA 0.593 58.716 58.000 0.205 0.000 1.286 1140 F CB -2.769 36.425 39.000 0.322 0.000 1.612 1140 F HN -0.109 nan 8.300 nan 0.000 0.335 1141 T N 2.781 117.467 114.554 0.220 0.000 2.884 1141 T HA 0.623 4.973 4.350 -0.000 0.000 0.298 1141 T C 0.416 175.212 174.700 0.161 0.000 0.998 1141 T CA 0.052 62.236 62.100 0.139 0.000 1.124 1141 T CB 0.966 69.934 68.868 0.166 0.000 0.931 1141 T HN 0.344 nan 8.240 nan 0.000 0.531 1142 I N -0.031 120.518 120.570 -0.035 0.000 2.603 1142 I HA 0.864 5.034 4.170 -0.000 0.000 0.300 1142 I C -0.651 175.296 176.117 -0.284 0.000 1.017 1142 I CA -1.189 60.045 61.300 -0.110 0.000 1.098 1142 I CB 1.857 39.788 38.000 -0.116 0.000 1.279 1142 I HN 0.186 nan 8.210 nan 0.000 0.437 1143 K N 4.296 124.485 120.400 -0.351 0.000 2.426 1143 K HA 0.537 4.857 4.320 -0.000 0.000 0.254 1143 K C -1.298 175.212 176.600 -0.150 0.000 0.936 1143 K CA -0.570 55.528 56.287 -0.315 0.000 0.801 1143 K CB 1.873 34.076 32.500 -0.495 0.000 1.139 1143 K HN 0.662 nan 8.250 nan 0.000 0.424 1144 L N 6.154 127.318 121.223 -0.099 0.000 2.418 1144 L HA 0.417 4.757 4.340 -0.000 0.000 0.274 1144 L C -0.501 176.425 176.870 0.095 0.000 1.135 1144 L CA 0.311 55.103 54.840 -0.080 0.000 0.870 1144 L CB -0.208 41.767 42.059 -0.139 0.000 1.154 1144 L HN 0.689 nan 8.230 nan 0.000 0.462 1145 I N 0.477 121.088 120.570 0.068 0.000 3.540 1145 I HA 0.634 4.804 4.170 -0.000 0.000 0.288 1145 I C -0.421 175.828 176.117 0.220 0.000 1.169 1145 I CA -1.045 60.373 61.300 0.196 0.000 1.038 1145 I CB 1.183 39.240 38.000 0.096 0.000 1.338 1145 I HN 0.520 nan 8.210 nan 0.000 0.507 1146 D N 0.672 121.205 120.400 0.222 0.000 3.620 1146 D HA -0.216 4.423 4.640 -0.000 0.000 0.237 1146 D C -0.629 175.643 176.300 -0.046 0.000 1.111 1146 D CA 0.649 54.710 54.000 0.102 0.000 1.070 1146 D CB -0.696 40.118 40.800 0.024 0.000 0.891 1146 D HN 0.551 nan 8.370 nan 0.000 0.412 1147 F N 0.238 120.108 119.950 -0.134 0.000 2.660 1147 F HA 0.340 4.867 4.527 -0.000 0.000 0.297 1147 F C 2.295 177.927 175.800 -0.280 0.000 1.132 1147 F CA 0.268 58.103 58.000 -0.276 0.000 1.372 1147 F CB 0.462 39.358 39.000 -0.174 0.000 1.003 1147 F HN 0.368 nan 8.300 nan 0.000 0.524 1148 G N -0.819 107.905 108.800 -0.126 0.000 2.535 1148 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 1148 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 1148 G C 1.481 176.268 174.900 -0.189 0.000 1.122 1148 G CA 0.951 45.967 45.100 -0.141 0.000 0.769 1148 G HN 0.343 nan 8.290 nan 0.000 0.549 1149 S N -0.342 115.191 115.700 -0.279 0.000 2.559 1149 S HA 0.548 5.017 4.470 -0.000 0.000 0.226 1149 S C 1.151 175.568 174.600 -0.304 0.000 1.000 1149 S CA -0.019 58.011 58.200 -0.283 0.000 0.948 1149 S CB 0.687 63.692 63.200 -0.325 0.000 0.870 1149 S HN 0.593 nan 8.310 nan 0.000 0.497 1150 A N 1.767 124.391 122.820 -0.326 0.000 2.483 1150 A HA 0.693 5.013 4.320 -0.000 0.000 0.238 1150 A C 0.326 177.800 177.584 -0.183 0.000 1.070 1150 A CA 0.297 52.170 52.037 -0.273 0.000 0.770 1150 A CB 0.049 18.971 19.000 -0.130 0.000 1.008 1150 A HN 0.590 nan 8.150 nan 0.000 0.497 1151 A N 0.849 123.560 122.820 -0.182 0.000 2.606 1151 A HA 0.642 4.961 4.320 -0.000 0.000 0.293 1151 A C -1.337 176.205 177.584 -0.071 0.000 1.082 1151 A CA -0.589 51.407 52.037 -0.068 0.000 0.685 1151 A CB 0.573 19.590 19.000 0.028 0.000 1.284 1151 A HN 0.734 nan 8.150 nan 0.000 0.408 1152 Y N 0.735 121.131 120.300 0.162 0.000 2.299 1152 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 1152 Y C 0.389 176.420 175.900 0.220 0.000 1.164 1152 Y CA -0.434 57.754 58.100 0.146 0.000 1.234 1152 Y CB 0.899 39.412 38.460 0.088 0.000 1.219 1152 Y HN 0.403 nan 8.280 nan 0.000 0.497 1153 L N 2.904 124.328 121.223 0.334 0.000 2.319 1153 L HA 0.379 4.718 4.340 -0.000 0.000 0.280 1153 L C 0.310 177.272 176.870 0.152 0.000 1.099 1153 L CA -0.539 54.448 54.840 0.245 0.000 0.828 1153 L CB -0.141 42.029 42.059 0.186 0.000 1.150 1153 L HN 0.839 nan 8.230 nan 0.000 0.442 1154 E N 1.983 122.222 120.200 0.066 0.000 2.212 1154 E HA 0.684 5.033 4.350 -0.000 0.000 0.268 1154 E C 0.278 176.873 176.600 -0.007 0.000 0.902 1154 E CA -0.686 55.720 56.400 0.010 0.000 0.779 1154 E CB 0.798 30.478 29.700 -0.032 0.000 1.172 1154 E HN 0.698 nan 8.360 nan 0.000 0.409 1155 R N 0.173 120.671 120.500 -0.003 0.000 2.485 1155 R HA 0.437 4.777 4.340 -0.000 0.000 0.304 1155 R C 1.567 177.857 176.300 -0.017 0.000 0.934 1155 R CA 0.940 57.039 56.100 -0.003 0.000 1.102 1155 R CB -1.235 29.064 30.300 -0.003 0.000 0.906 1155 R HN 2.444 nan 8.270 nan 0.000 0.407 1156 G N 0.691 109.483 108.800 -0.013 0.000 2.168 1156 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 1156 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 1156 G C 0.260 175.134 174.900 -0.043 0.000 0.997 1156 G CA 0.841 45.929 45.100 -0.019 0.000 0.708 1156 G HN 0.964 nan 8.290 nan 0.000 0.520 1157 K N -0.094 120.259 120.400 -0.078 0.000 2.185 1157 K HA 0.770 5.090 4.320 -0.000 0.000 0.269 1157 K C 0.218 176.675 176.600 -0.237 0.000 0.987 1157 K CA -0.670 55.522 56.287 -0.159 0.000 0.865 1157 K CB 0.667 33.034 32.500 -0.222 0.000 1.090 1157 K HN 0.188 nan 8.250 nan 0.000 0.450 1158 L N 4.501 125.579 121.223 -0.241 0.000 2.346 1158 L HA 0.538 4.877 4.340 -0.000 0.000 0.274 1158 L C -0.702 175.888 176.870 -0.466 0.000 1.007 1158 L CA -1.029 53.620 54.840 -0.318 0.000 0.818 1158 L CB 1.141 43.040 42.059 -0.268 0.000 1.284 1158 L HN 0.514 nan 8.230 nan 0.000 0.424 1159 F N 0.983 120.618 119.950 -0.524 0.000 2.404 1159 F HA 0.250 4.777 4.527 -0.000 0.000 0.345 1159 F C 0.311 175.784 175.800 -0.544 0.000 1.110 1159 F CA 0.016 57.694 58.000 -0.537 0.000 1.130 1159 F CB 0.685 39.132 39.000 -0.923 0.000 1.129 1159 F HN 0.306 nan 8.300 nan 0.000 0.500 1160 Y N 0.124 120.417 120.300 -0.011 0.000 2.507 1160 Y HA 0.230 4.780 4.550 -0.000 0.000 0.254 1160 Y C 0.263 176.232 175.900 0.116 0.000 1.171 1160 Y CA -0.157 57.967 58.100 0.039 0.000 1.238 1160 Y CB 0.599 39.067 38.460 0.013 0.000 1.148 1160 Y HN 0.393 nan 8.280 nan 0.000 0.525 1161 T N 0.183 114.899 114.554 0.270 0.000 2.886 1161 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 1161 T C -1.422 173.502 174.700 0.373 0.000 1.012 1161 T CA -0.554 61.709 62.100 0.272 0.000 0.982 1161 T CB 1.553 70.537 68.868 0.194 0.000 1.018 1161 T HN -0.037 nan 8.240 nan 0.000 0.451 1162 F N 1.848 121.925 119.950 0.211 0.000 2.404 1162 F HA 0.472 4.999 4.527 -0.000 0.000 0.345 1162 F C 0.384 176.231 175.800 0.078 0.000 1.110 1162 F CA -0.933 57.165 58.000 0.163 0.000 1.130 1162 F CB 0.605 39.648 39.000 0.071 0.000 1.129 1162 F HN 0.639 nan 8.300 nan 0.000 0.500 1163 C N 4.644 123.517 119.300 -0.712 0.000 3.525 1163 C HA 0.458 4.918 4.460 -0.000 0.000 0.289 1163 C C 1.178 175.761 174.990 -0.680 0.000 1.496 1163 C CA -0.054 58.657 59.018 -0.511 0.000 1.804 1163 C CB -0.708 26.868 27.740 -0.273 0.000 2.708 1163 C HN 1.011 nan 8.230 nan 0.000 0.642 1164 G N 0.700 108.702 108.800 -1.330 0.000 2.782 1164 G HA2 0.494 4.453 3.960 -0.000 0.000 0.201 1164 G HA3 0.494 4.453 3.960 -0.000 0.000 0.201 1164 G C -0.592 174.157 174.900 -0.252 0.000 1.374 1164 G CA 0.098 44.764 45.100 -0.722 0.000 1.039 1164 G HN 0.237 nan 8.290 nan 0.000 0.576 1165 T N 1.457 116.070 114.554 0.099 0.000 2.771 1165 T HA 0.221 4.571 4.350 -0.000 0.000 0.291 1165 T C 1.503 176.519 174.700 0.527 0.000 0.954 1165 T CA -0.518 61.753 62.100 0.284 0.000 1.045 1165 T CB 1.478 70.476 68.868 0.218 0.000 0.917 1165 T HN 0.197 nan 8.240 nan 0.000 0.484 1166 I N 2.205 123.024 120.570 0.415 0.000 2.335 1166 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 1166 I C 2.107 178.332 176.117 0.179 0.000 1.129 1166 I CA 1.452 62.900 61.300 0.247 0.000 1.402 1166 I CB -0.768 37.319 38.000 0.145 0.000 1.069 1166 I HN 0.663 nan 8.210 nan 0.000 0.424 1167 E N -0.351 119.997 120.200 0.247 0.000 2.333 1167 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 1167 E C 0.946 177.587 176.600 0.068 0.000 1.007 1167 E CA 0.914 57.407 56.400 0.155 0.000 0.845 1167 E CB -0.224 29.560 29.700 0.141 0.000 0.766 1167 E HN 0.522 nan 8.360 nan 0.000 0.507 1168 Y N -1.607 118.839 120.300 0.243 0.000 2.636 1168 Y HA 0.242 4.792 4.550 -0.000 0.000 0.260 1168 Y C 0.011 176.126 175.900 0.359 0.000 1.177 1168 Y CA -0.806 57.479 58.100 0.308 0.000 1.209 1168 Y CB 0.440 39.047 38.460 0.244 0.000 1.166 1168 Y HN -0.050 nan 8.280 nan 0.000 0.531 1169 C N 1.949 121.393 119.300 0.241 0.000 2.330 1169 C HA 0.818 5.278 4.460 -0.000 0.000 0.344 1169 C C 0.958 175.638 174.990 -0.516 0.000 1.273 1169 C CA -0.936 57.965 59.018 -0.195 0.000 1.879 1169 C CB -1.102 26.259 27.740 -0.632 0.000 2.376 1169 C HN 0.531 nan 8.230 nan 0.000 0.534 1170 A N 7.586 129.930 122.820 -0.793 0.000 2.466 1170 A HA 0.369 4.689 4.320 -0.000 0.000 0.238 1170 A C -1.398 175.600 177.584 -0.977 0.000 1.074 1170 A CA -0.571 50.642 52.037 -1.374 0.000 0.774 1170 A CB -0.108 18.439 19.000 -0.755 0.000 1.015 1170 A HN 0.764 nan 8.150 nan 0.000 0.498 1171 P HA -0.211 nan 4.420 nan 0.000 0.215 1171 P C 1.376 178.429 177.300 -0.412 0.000 1.153 1171 P CA 1.673 64.394 63.100 -0.631 0.000 0.853 1171 P CB 0.066 31.423 31.700 -0.572 0.000 0.788 1172 E N -0.089 119.893 120.200 -0.363 0.000 2.106 1172 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 1172 E C 1.811 178.291 176.600 -0.200 0.000 0.984 1172 E CA 1.357 57.622 56.400 -0.226 0.000 0.806 1172 E CB -1.377 28.227 29.700 -0.161 0.000 0.750 1172 E HN 0.110 nan 8.360 nan 0.000 0.458 1173 V N 1.508 121.261 119.914 -0.269 0.000 2.591 1173 V HA -0.116 4.004 4.120 -0.000 0.000 0.249 1173 V C 2.546 178.470 176.094 -0.284 0.000 1.053 1173 V CA 0.951 63.104 62.300 -0.245 0.000 1.068 1173 V CB -0.436 31.177 31.823 -0.351 0.000 0.689 1173 V HN 0.173 nan 8.190 nan 0.000 0.462 1174 L N -0.925 120.089 121.223 -0.349 0.000 2.551 1174 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 1174 L C 2.092 178.849 176.870 -0.187 0.000 1.153 1174 L CA 1.113 55.780 54.840 -0.289 0.000 0.851 1174 L CB -0.198 41.675 42.059 -0.312 0.000 0.959 1174 L HN 0.356 nan 8.230 nan 0.000 0.451 1175 M N -1.847 117.654 119.600 -0.166 0.000 2.414 1175 M HA 0.188 4.668 4.480 -0.000 0.000 0.251 1175 M C 1.258 177.516 176.300 -0.070 0.000 1.116 1175 M CA 0.698 55.931 55.300 -0.111 0.000 1.056 1175 M CB 0.841 33.373 32.600 -0.113 0.000 1.388 1175 M HN 0.284 nan 8.290 nan 0.000 0.487 1176 G N 0.375 109.136 108.800 -0.064 0.000 2.205 1176 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.180 1176 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.180 1176 G C -0.344 174.557 174.900 0.003 0.000 1.004 1176 G CA -0.677 44.414 45.100 -0.015 0.000 0.670 1176 G HN 0.384 nan 8.290 nan 0.000 0.496 1177 N N 2.563 121.249 118.700 -0.023 0.000 2.520 1177 N HA 0.418 5.158 4.740 -0.000 0.000 0.273 1177 N C -2.278 173.218 175.510 -0.024 0.000 1.155 1177 N CA -0.700 52.334 53.050 -0.026 0.000 0.967 1177 N CB 1.435 39.899 38.487 -0.038 0.000 1.092 1177 N HN 0.247 nan 8.380 nan 0.000 0.457 1178 P HA 0.122 nan 4.420 nan 0.000 0.274 1178 P C -1.152 176.085 177.300 -0.106 0.000 1.237 1178 P CA -0.006 62.901 63.100 -0.323 0.000 0.793 1178 P CB 0.371 31.473 31.700 -0.997 0.000 0.977 1179 Y N -1.727 118.517 120.300 -0.094 0.000 2.512 1179 Y HA 0.581 5.131 4.550 -0.000 0.000 0.348 1179 Y C 1.434 177.414 175.900 0.133 0.000 0.990 1179 Y CA -1.331 56.782 58.100 0.021 0.000 1.033 1179 Y CB 1.183 39.672 38.460 0.049 0.000 1.259 1179 Y HN 0.202 nan 8.280 nan 0.000 0.461 1180 R N 1.129 121.778 120.500 0.248 0.000 2.066 1180 R HA 0.211 4.551 4.340 -0.000 0.000 0.232 1180 R C 1.083 177.624 176.300 0.402 0.000 1.131 1180 R CA 2.248 58.481 56.100 0.222 0.000 0.955 1180 R CB -0.498 29.891 30.300 0.148 0.000 0.851 1180 R HN 1.246 nan 8.270 nan 0.000 0.432 1181 G N -1.770 107.304 108.800 0.457 0.000 3.532 1181 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.196 1181 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.196 1181 G C -1.639 173.381 174.900 0.201 0.000 2.074 1181 G CA -0.021 45.304 45.100 0.375 0.000 1.323 1181 G HN 0.222 nan 8.290 nan 0.000 0.439 1182 P HA 0.016 nan 4.420 nan 0.000 0.215 1182 P C 1.428 178.796 177.300 0.112 0.000 1.157 1182 P CA 1.945 65.114 63.100 0.116 0.000 0.874 1182 P CB -0.110 31.652 31.700 0.103 0.000 0.790 1183 E N -0.936 119.334 120.200 0.117 0.000 2.110 1183 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 1183 E C 1.854 178.524 176.600 0.117 0.000 0.988 1183 E CA 0.760 57.227 56.400 0.111 0.000 0.804 1183 E CB -1.041 28.713 29.700 0.090 0.000 0.745 1183 E HN 0.122 nan 8.360 nan 0.000 0.458 1184 L N 0.900 122.164 121.223 0.070 0.000 2.156 1184 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 1184 L C 2.059 178.997 176.870 0.113 0.000 1.095 1184 L CA 1.766 56.614 54.840 0.013 0.000 0.770 1184 L CB -0.198 41.727 42.059 -0.224 0.000 0.914 1184 L HN 0.086 nan 8.230 nan 0.000 0.439 1185 E N -1.146 119.114 120.200 0.099 0.000 2.150 1185 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 1185 E C 1.965 178.653 176.600 0.148 0.000 0.985 1185 E CA 1.049 57.514 56.400 0.108 0.000 0.814 1185 E CB 0.052 29.794 29.700 0.069 0.000 0.752 1185 E HN 0.398 nan 8.360 nan 0.000 0.466 1186 M N -0.205 119.493 119.600 0.163 0.000 2.254 1186 M HA -0.112 4.368 4.480 -0.000 0.000 0.265 1186 M C 1.971 178.392 176.300 0.202 0.000 1.066 1186 M CA 0.856 56.255 55.300 0.166 0.000 1.123 1186 M CB -1.189 31.500 32.600 0.147 0.000 1.388 1186 M HN 0.404 nan 8.290 nan 0.000 0.425 1187 W N 1.766 123.107 121.300 0.068 0.000 2.381 1187 W HA -0.179 4.481 4.660 -0.000 0.000 0.301 1187 W C 2.372 178.958 176.519 0.112 0.000 1.205 1187 W CA 2.258 59.644 57.345 0.069 0.000 1.285 1187 W CB -0.441 29.036 29.460 0.029 0.000 1.133 1187 W HN 0.419 nan 8.180 nan 0.000 0.521 1188 S N 0.855 116.771 115.700 0.359 0.000 2.382 1188 S HA -0.232 4.238 4.470 -0.000 0.000 0.228 1188 S C 2.088 176.846 174.600 0.263 0.000 1.027 1188 S CA 1.470 59.884 58.200 0.356 0.000 0.991 1188 S CB -1.069 62.333 63.200 0.336 0.000 0.823 1188 S HN 0.318 nan 8.310 nan 0.000 0.469 1189 L N 1.508 122.853 121.223 0.203 0.000 2.083 1189 L HA 0.031 4.370 4.340 -0.000 0.000 0.209 1189 L C 3.040 180.044 176.870 0.222 0.000 1.083 1189 L CA 1.163 56.163 54.840 0.267 0.000 0.752 1189 L CB -1.237 40.979 42.059 0.261 0.000 0.899 1189 L HN 0.535 nan 8.230 nan 0.000 0.433 1190 G N -0.345 108.472 108.800 0.029 0.000 2.440 1190 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 1190 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 1190 G C 1.573 176.348 174.900 -0.208 0.000 1.154 1190 G CA 0.995 45.997 45.100 -0.163 0.000 0.767 1190 G HN 0.205 nan 8.290 nan 0.000 0.552 1191 V N 0.896 120.672 119.914 -0.231 0.000 2.358 1191 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 1191 V C 3.131 179.236 176.094 0.019 0.000 1.047 1191 V CA 2.275 64.441 62.300 -0.224 0.000 1.035 1191 V CB -0.966 30.637 31.823 -0.366 0.000 0.658 1191 V HN 0.375 nan 8.190 nan 0.000 0.452 1192 T N 0.672 115.360 114.554 0.224 0.000 2.788 1192 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 1192 T C 1.886 176.683 174.700 0.162 0.000 1.044 1192 T CA 1.781 64.071 62.100 0.316 0.000 1.139 1192 T CB -0.321 68.756 68.868 0.349 0.000 0.867 1192 T HN 0.298 nan 8.240 nan 0.000 0.454 1193 L N 0.080 121.298 121.223 -0.008 0.000 2.056 1193 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 1193 L C 2.115 178.870 176.870 -0.191 0.000 1.078 1193 L CA 1.614 56.266 54.840 -0.314 0.000 0.749 1193 L CB -0.818 40.752 42.059 -0.815 0.000 0.901 1193 L HN 0.240 nan 8.230 nan 0.000 0.433 1194 Y N 0.102 120.281 120.300 -0.201 0.000 2.163 1194 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 1194 Y C 2.435 178.341 175.900 0.010 0.000 1.136 1194 Y CA 2.279 60.338 58.100 -0.069 0.000 1.147 1194 Y CB -0.621 37.757 38.460 -0.137 0.000 0.987 1194 Y HN 0.203 nan 8.280 nan 0.000 0.509 1195 T N 0.929 115.630 114.554 0.245 0.000 2.867 1195 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 1195 T C 1.806 176.577 174.700 0.118 0.000 1.057 1195 T CA 1.342 63.562 62.100 0.199 0.000 1.136 1195 T CB -0.532 68.455 68.868 0.199 0.000 0.874 1195 T HN 0.300 nan 8.240 nan 0.000 0.466 1196 L N 2.100 123.369 121.223 0.076 0.000 2.027 1196 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 1196 L C 2.528 179.387 176.870 -0.017 0.000 1.074 1196 L CA 1.552 56.435 54.840 0.071 0.000 0.745 1196 L CB -0.623 41.492 42.059 0.093 0.000 0.898 1196 L HN 0.247 nan 8.230 nan 0.000 0.433 1197 V N -3.889 115.894 119.914 -0.219 0.000 2.446 1197 V HA -0.043 4.077 4.120 -0.000 0.000 0.244 1197 V C 2.054 177.912 176.094 -0.394 0.000 1.039 1197 V CA 1.241 63.287 62.300 -0.423 0.000 1.045 1197 V CB -1.086 30.237 31.823 -0.834 0.000 0.681 1197 V HN 0.280 nan 8.190 nan 0.000 0.459 1198 F N 1.158 121.024 119.950 -0.139 0.000 2.746 1198 F HA 0.398 4.925 4.527 -0.000 0.000 0.297 1198 F C 1.367 177.187 175.800 0.033 0.000 1.113 1198 F CA 0.030 57.970 58.000 -0.100 0.000 1.367 1198 F CB -0.529 38.156 39.000 -0.526 0.000 1.111 1198 F HN 0.264 nan 8.300 nan 0.000 0.590 1199 E N 0.672 120.970 120.200 0.164 0.000 2.791 1199 E HA -0.252 4.098 4.350 -0.000 0.000 0.271 1199 E C -0.137 176.538 176.600 0.124 0.000 1.044 1199 E CA 0.817 57.286 56.400 0.115 0.000 0.814 1199 E CB -2.184 27.579 29.700 0.105 0.000 1.400 1199 E HN 0.731 nan 8.360 nan 0.000 0.423 1200 E N -0.167 120.144 120.200 0.184 0.000 2.430 1200 E HA 0.402 4.752 4.350 -0.000 0.000 0.279 1200 E C -0.815 175.895 176.600 0.182 0.000 1.003 1200 E CA -1.030 55.463 56.400 0.156 0.000 0.801 1200 E CB 1.112 30.895 29.700 0.139 0.000 1.313 1200 E HN 0.027 nan 8.360 nan 0.000 0.459 1201 N N 1.442 120.171 118.700 0.049 0.000 2.530 1201 N HA 0.086 4.826 4.740 -0.000 0.000 0.273 1201 N C -1.452 173.812 175.510 -0.410 0.000 1.173 1201 N CA -1.481 51.495 53.050 -0.123 0.000 0.967 1201 N CB 1.001 39.429 38.487 -0.097 0.000 1.109 1201 N HN 0.355 nan 8.380 nan 0.000 0.453 1202 P HA -0.081 nan 4.420 nan 0.000 0.220 1202 P C -0.721 175.691 177.300 -1.480 0.000 1.144 1202 P CA 1.302 63.233 63.100 -1.947 0.000 0.800 1202 P CB 0.002 30.287 31.700 -2.359 0.000 0.772 1203 F N -2.018 117.768 119.950 -0.274 0.000 2.671 1203 F HA 0.218 4.745 4.527 -0.000 0.000 0.332 1203 F C 1.393 177.150 175.800 -0.072 0.000 1.189 1203 F CA -0.986 56.937 58.000 -0.128 0.000 0.988 1203 F CB -0.078 38.877 39.000 -0.075 0.000 1.258 1203 F HN -0.227 nan 8.300 nan 0.000 0.471 1204 C N -0.255 119.102 119.300 0.094 0.000 2.413 1204 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 1204 C C 0.949 175.985 174.990 0.076 0.000 1.236 1204 C CA 0.630 59.687 59.018 0.065 0.000 1.735 1204 C CB -0.648 27.120 27.740 0.046 0.000 2.031 1204 C HN 0.590 nan 8.230 nan 0.000 0.474 1205 E N 0.962 121.214 120.200 0.087 0.000 2.175 1205 E HA 0.267 4.616 4.350 -0.000 0.000 0.278 1205 E C 0.462 177.086 176.600 0.040 0.000 0.969 1205 E CA -0.527 55.904 56.400 0.052 0.000 0.796 1205 E CB 1.057 30.774 29.700 0.030 0.000 1.104 1205 E HN 0.027 nan 8.360 nan 0.000 0.395 1206 L N 2.506 123.737 121.223 0.013 0.000 2.137 1206 L HA -0.239 4.100 4.340 -0.000 0.000 0.213 1206 L C 1.735 178.548 176.870 -0.094 0.000 1.085 1206 L CA 1.967 56.791 54.840 -0.026 0.000 0.760 1206 L CB -0.282 41.758 42.059 -0.031 0.000 0.893 1206 L HN 0.601 nan 8.230 nan 0.000 0.434 1207 E N -1.262 118.888 120.200 -0.082 0.000 2.299 1207 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 1207 E C 2.004 178.517 176.600 -0.146 0.000 0.998 1207 E CA 0.692 57.025 56.400 -0.113 0.000 0.851 1207 E CB -0.033 29.623 29.700 -0.074 0.000 0.795 1207 E HN 0.658 nan 8.360 nan 0.000 0.492 1208 E N 0.774 120.901 120.200 -0.121 0.000 2.463 1208 E HA -0.162 4.188 4.350 -0.000 0.000 0.201 1208 E C 1.800 178.122 176.600 -0.464 0.000 1.045 1208 E CA 1.399 57.718 56.400 -0.135 0.000 0.872 1208 E CB -1.044 28.693 29.700 0.061 0.000 0.797 1208 E HN 0.102 nan 8.360 nan 0.000 0.538 1209 T N -0.385 113.810 114.554 -0.597 0.000 2.951 1209 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 1209 T C 2.104 176.497 174.700 -0.512 0.000 1.073 1209 T CA 1.854 63.437 62.100 -0.862 0.000 1.134 1209 T CB -0.414 68.124 68.868 -0.549 0.000 0.884 1209 T HN 0.626 nan 8.240 nan 0.000 0.479 1210 V N -0.630 119.081 119.914 -0.338 0.000 2.788 1210 V HA 0.272 4.392 4.120 -0.000 0.000 0.251 1210 V C 2.354 178.361 176.094 -0.144 0.000 1.068 1210 V CA 1.815 63.976 62.300 -0.231 0.000 1.090 1210 V CB -1.144 30.567 31.823 -0.186 0.000 0.710 1210 V HN 0.494 nan 8.190 nan 0.000 0.467 1211 E N 0.645 120.768 120.200 -0.128 0.000 2.086 1211 E HA 0.396 4.745 4.350 -0.000 0.000 0.190 1211 E C 1.791 178.379 176.600 -0.021 0.000 0.975 1211 E CA 1.698 58.065 56.400 -0.055 0.000 0.813 1211 E CB -0.795 28.890 29.700 -0.025 0.000 0.768 1211 E HN 2.267 nan 8.360 nan 0.000 0.457 1212 A N -1.169 121.610 122.820 -0.069 0.000 2.800 1212 A HA 0.140 4.459 4.320 -0.000 0.000 0.292 1212 A C 0.926 178.661 177.584 0.251 0.000 1.474 1212 A CA 0.889 52.988 52.037 0.104 0.000 0.744 1212 A CB -2.423 16.703 19.000 0.210 0.000 1.044 1212 A HN 1.814 nan 8.150 nan 0.000 0.489 1213 A N 0.560 123.502 122.820 0.204 0.000 2.395 1213 A HA 0.542 4.862 4.320 -0.000 0.000 0.286 1213 A C 0.474 178.041 177.584 -0.029 0.000 1.193 1213 A CA 0.350 52.422 52.037 0.059 0.000 0.852 1213 A CB -0.477 18.600 19.000 0.130 0.000 1.118 1213 A HN 1.724 nan 8.150 nan 0.000 0.524 1214 I N 0.855 121.270 120.570 -0.259 0.000 2.331 1214 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 1214 I C -0.613 175.166 176.117 -0.564 0.000 0.998 1214 I CA -0.412 60.682 61.300 -0.342 0.000 1.267 1214 I CB 0.909 38.764 38.000 -0.242 0.000 1.386 1214 I HN 0.531 nan 8.210 nan 0.000 0.476 1215 H N 5.468 124.456 119.070 -0.137 0.000 2.716 1215 H HA 0.396 4.951 4.556 -0.000 0.000 0.260 1215 H C -2.447 172.745 175.328 -0.227 0.000 1.280 1215 H CA -1.489 54.469 56.048 -0.151 0.000 1.506 1215 H CB 0.982 30.686 29.762 -0.096 0.000 1.514 1215 H HN 0.522 nan 8.280 nan 0.000 0.502 1216 P HA 0.063 nan 4.420 nan 0.000 0.272 1216 P C -1.489 175.564 177.300 -0.411 0.000 1.223 1216 P CA -1.192 61.442 63.100 -0.777 0.000 0.784 1216 P CB 0.921 31.666 31.700 -1.591 0.000 0.923 1217 P HA -0.046 nan 4.420 nan 0.000 0.229 1217 P C -0.431 176.955 177.300 0.144 0.000 1.160 1217 P CA 1.206 64.304 63.100 -0.003 0.000 0.777 1217 P CB -0.063 31.709 31.700 0.120 0.000 0.814 1218 Y N -3.018 117.259 120.300 -0.037 0.000 2.609 1218 Y HA 0.567 5.117 4.550 -0.000 0.000 0.336 1218 Y C -1.216 174.721 175.900 0.062 0.000 1.129 1218 Y CA -2.278 55.839 58.100 0.029 0.000 1.040 1218 Y CB 0.038 38.532 38.460 0.056 0.000 1.310 1218 Y HN -0.414 nan 8.280 nan 0.000 0.460 1219 L N 3.992 125.292 121.223 0.129 0.000 2.360 1219 L HA 0.567 4.907 4.340 -0.000 0.000 0.276 1219 L C 0.227 177.126 176.870 0.049 0.000 1.121 1219 L CA -0.462 54.400 54.840 0.037 0.000 0.845 1219 L CB 0.625 42.718 42.059 0.058 0.000 1.143 1219 L HN 0.741 nan 8.230 nan 0.000 0.452 1220 V N 0.268 120.159 119.914 -0.037 0.000 3.158 1220 V HA 0.793 4.913 4.120 -0.000 0.000 0.311 1220 V C 0.165 176.245 176.094 -0.024 0.000 1.181 1220 V CA -0.982 61.298 62.300 -0.033 0.000 1.054 1220 V CB 1.581 33.309 31.823 -0.159 0.000 1.085 1220 V HN 0.794 nan 8.190 nan 0.000 0.446 1221 S N 0.403 116.105 115.700 0.004 0.000 2.558 1221 S HA 0.299 4.769 4.470 -0.000 0.000 0.287 1221 S C 1.210 175.788 174.600 -0.036 0.000 1.321 1221 S CA 0.540 58.752 58.200 0.019 0.000 1.048 1221 S CB 0.797 64.058 63.200 0.101 0.000 0.844 1221 S HN 1.840 nan 8.310 nan 0.000 0.512 1222 K N 1.977 122.367 120.400 -0.017 0.000 2.283 1222 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 1222 K C 1.750 178.320 176.600 -0.051 0.000 1.048 1222 K CA 1.859 58.124 56.287 -0.037 0.000 0.948 1222 K CB -1.056 31.435 32.500 -0.016 0.000 0.742 1222 K HN 0.848 nan 8.250 nan 0.000 0.458 1223 E N -0.112 120.077 120.200 -0.019 0.000 2.107 1223 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 1223 E C 1.919 178.421 176.600 -0.163 0.000 0.982 1223 E CA 0.859 57.258 56.400 -0.003 0.000 0.809 1223 E CB -0.128 29.653 29.700 0.136 0.000 0.756 1223 E HN 0.378 nan 8.360 nan 0.000 0.459 1224 L N 0.149 121.134 121.223 -0.396 0.000 2.017 1224 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 1224 L C 1.850 178.433 176.870 -0.480 0.000 1.073 1224 L CA 1.719 56.050 54.840 -0.848 0.000 0.745 1224 L CB -0.413 40.998 42.059 -1.081 0.000 0.894 1224 L HN 0.157 nan 8.230 nan 0.000 0.432 1225 M N -0.427 119.001 119.600 -0.286 0.000 2.149 1225 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 1225 M C 2.442 178.650 176.300 -0.154 0.000 1.064 1225 M CA 1.876 57.063 55.300 -0.189 0.000 1.102 1225 M CB -1.690 30.828 32.600 -0.137 0.000 1.369 1225 M HN 0.620 nan 8.290 nan 0.000 0.408 1226 S N -0.049 115.572 115.700 -0.131 0.000 2.436 1226 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 1226 S C 1.857 176.405 174.600 -0.088 0.000 1.014 1226 S CA 0.516 58.666 58.200 -0.085 0.000 0.950 1226 S CB -0.683 62.489 63.200 -0.046 0.000 0.784 1226 S HN 0.381 nan 8.310 nan 0.000 0.504 1227 L N 3.065 124.204 121.223 -0.139 0.000 2.027 1227 L HA 0.043 4.383 4.340 -0.000 0.000 0.206 1227 L C 2.530 179.308 176.870 -0.154 0.000 1.074 1227 L CA 1.911 56.672 54.840 -0.133 0.000 0.745 1227 L CB -0.895 41.042 42.059 -0.203 0.000 0.898 1227 L HN 0.332 nan 8.230 nan 0.000 0.433 1228 V N -3.733 116.048 119.914 -0.221 0.000 2.515 1228 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 1228 V C 2.331 178.346 176.094 -0.132 0.000 1.058 1228 V CA 1.772 63.962 62.300 -0.184 0.000 1.064 1228 V CB -1.301 30.435 31.823 -0.145 0.000 0.675 1228 V HN 0.432 nan 8.190 nan 0.000 0.461 1229 S N 1.520 117.157 115.700 -0.105 0.000 2.368 1229 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 1229 S C 2.033 176.613 174.600 -0.034 0.000 1.029 1229 S CA 1.553 59.712 58.200 -0.067 0.000 0.988 1229 S CB -0.781 62.383 63.200 -0.059 0.000 0.838 1229 S HN 0.796 nan 8.310 nan 0.000 0.462 1230 G N 1.187 109.971 108.800 -0.027 0.000 2.403 1230 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 1230 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 1230 G C 1.301 176.214 174.900 0.022 0.000 1.154 1230 G CA 0.327 45.433 45.100 0.009 0.000 0.784 1230 G HN 0.419 nan 8.290 nan 0.000 0.538 1231 L N -0.320 120.892 121.223 -0.018 0.000 2.240 1231 L HA 0.210 4.550 4.340 -0.000 0.000 0.211 1231 L C 1.605 178.417 176.870 -0.098 0.000 1.106 1231 L CA 0.423 55.249 54.840 -0.023 0.000 0.793 1231 L CB -0.040 41.988 42.059 -0.052 0.000 0.927 1231 L HN 0.132 nan 8.230 nan 0.000 0.446 1232 L N 0.139 121.253 121.223 -0.182 0.000 3.034 1232 L HA 0.175 4.515 4.340 -0.000 0.000 0.245 1232 L C 0.203 177.146 176.870 0.122 0.000 1.295 1232 L CA -0.379 54.255 54.840 -0.343 0.000 1.068 1232 L CB 0.024 41.802 42.059 -0.467 0.000 1.426 1232 L HN 0.117 nan 8.230 nan 0.000 0.531 1233 Q N 2.286 122.206 119.800 0.200 0.000 2.293 1233 Q HA 0.153 4.493 4.340 -0.000 0.000 0.263 1233 Q C -1.609 174.577 176.000 0.311 0.000 1.002 1233 Q CA -1.495 54.432 55.803 0.207 0.000 0.910 1233 Q CB 1.162 29.974 28.738 0.123 0.000 1.185 1233 Q HN -0.038 nan 8.270 nan 0.000 0.401 1234 P HA -0.092 nan 4.420 nan 0.000 0.223 1234 P C -0.413 176.873 177.300 -0.023 0.000 1.151 1234 P CA 0.507 63.647 63.100 0.067 0.000 0.787 1234 P CB 0.226 31.923 31.700 -0.004 0.000 0.788 1235 V N 3.204 123.130 119.914 0.020 0.000 2.385 1235 V HA 0.133 4.253 4.120 -0.000 0.000 0.269 1235 V C -0.988 175.121 176.094 0.026 0.000 1.043 1235 V CA -1.452 60.848 62.300 0.001 0.000 0.906 1235 V CB 0.820 32.646 31.823 0.005 0.000 0.995 1235 V HN -0.006 nan 8.190 nan 0.000 0.467 1236 P HA -0.168 nan 4.420 nan 0.000 0.220 1236 P C 1.165 178.493 177.300 0.047 0.000 1.148 1236 P CA 1.165 64.285 63.100 0.033 0.000 0.803 1236 P CB 0.376 32.081 31.700 0.009 0.000 0.782 1237 E N 0.752 120.973 120.200 0.034 0.000 2.285 1237 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 1237 E C 1.628 178.252 176.600 0.040 0.000 0.997 1237 E CA 0.649 57.070 56.400 0.036 0.000 0.845 1237 E CB -0.486 29.229 29.700 0.025 0.000 0.782 1237 E HN 0.318 nan 8.360 nan 0.000 0.491 1238 R N 0.643 121.169 120.500 0.043 0.000 2.312 1238 R HA 0.198 4.538 4.340 -0.000 0.000 0.205 1238 R C 1.156 177.492 176.300 0.059 0.000 0.904 1238 R CA -0.304 55.822 56.100 0.045 0.000 1.052 1238 R CB 0.233 30.556 30.300 0.037 0.000 1.014 1238 R HN -0.027 nan 8.270 nan 0.000 0.503 1239 R N 1.305 121.851 120.500 0.077 0.000 2.641 1239 R HA 0.060 4.400 4.340 -0.000 0.000 0.269 1239 R C -0.514 175.837 176.300 0.084 0.000 1.074 1239 R CA 0.121 56.280 56.100 0.100 0.000 1.133 1239 R CB 0.675 31.060 30.300 0.142 0.000 1.029 1239 R HN -0.126 nan 8.270 nan 0.000 0.488 1240 T N 2.916 117.519 114.554 0.081 0.000 2.867 1240 T HA -0.012 4.338 4.350 -0.000 0.000 0.297 1240 T C 0.085 174.834 174.700 0.083 0.000 0.989 1240 T CA 0.439 62.584 62.100 0.074 0.000 1.159 1240 T CB 0.739 69.649 68.868 0.069 0.000 0.928 1240 T HN 0.497 nan 8.240 nan 0.000 0.538 1241 T N 2.973 117.571 114.554 0.072 0.000 2.882 1241 T HA 0.192 4.542 4.350 -0.000 0.000 0.287 1241 T C 1.489 176.231 174.700 0.069 0.000 1.014 1241 T CA -0.740 61.402 62.100 0.070 0.000 1.049 1241 T CB 0.734 69.638 68.868 0.059 0.000 1.001 1241 T HN 0.452 nan 8.240 nan 0.000 0.525 1242 L N 2.522 123.783 121.223 0.063 0.000 2.131 1242 L HA -0.013 4.326 4.340 -0.000 0.000 0.210 1242 L C 2.136 179.035 176.870 0.048 0.000 1.092 1242 L CA 1.891 56.763 54.840 0.053 0.000 0.759 1242 L CB -0.499 41.584 42.059 0.041 0.000 0.903 1242 L HN 0.613 nan 8.230 nan 0.000 0.435 1243 E N -0.243 119.986 120.200 0.047 0.000 2.077 1243 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 1243 E C 2.199 178.829 176.600 0.050 0.000 0.989 1243 E CA 1.421 57.848 56.400 0.045 0.000 0.800 1243 E CB -0.249 29.476 29.700 0.041 0.000 0.746 1243 E HN 0.423 nan 8.360 nan 0.000 0.452 1244 K N 0.241 120.674 120.400 0.056 0.000 2.097 1244 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 1244 K C 2.074 178.720 176.600 0.077 0.000 1.050 1244 K CA 0.731 57.054 56.287 0.062 0.000 0.938 1244 K CB -0.104 32.433 32.500 0.060 0.000 0.718 1244 K HN 0.145 nan 8.250 nan 0.000 0.442 1245 L N 0.795 122.069 121.223 0.086 0.000 2.027 1245 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 1245 L C 2.101 179.038 176.870 0.112 0.000 1.074 1245 L CA 1.040 55.950 54.840 0.117 0.000 0.745 1245 L CB -0.141 41.994 42.059 0.126 0.000 0.898 1245 L HN 0.047 nan 8.230 nan 0.000 0.433 1246 V N -1.172 118.786 119.914 0.073 0.000 2.469 1246 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 1246 V C 2.367 178.502 176.094 0.068 0.000 1.064 1246 V CA 2.264 64.598 62.300 0.057 0.000 1.066 1246 V CB -0.836 31.009 31.823 0.038 0.000 0.667 1246 V HN 0.483 nan 8.190 nan 0.000 0.461 1247 T N -1.528 113.068 114.554 0.071 0.000 3.107 1247 T HA 0.001 4.351 4.350 -0.000 0.000 0.249 1247 T C 0.768 175.518 174.700 0.083 0.000 1.096 1247 T CA -0.229 61.911 62.100 0.067 0.000 1.012 1247 T CB -0.532 68.369 68.868 0.055 0.000 0.977 1247 T HN 0.538 nan 8.240 nan 0.000 0.527 1248 D N 1.788 122.254 120.400 0.109 0.000 2.525 1248 D HA -0.004 4.636 4.640 -0.000 0.000 0.235 1248 D C -1.582 174.805 176.300 0.145 0.000 1.137 1248 D CA -1.280 52.801 54.000 0.135 0.000 0.868 1248 D CB 1.685 42.594 40.800 0.181 0.000 1.180 1248 D HN 0.146 nan 8.370 nan 0.000 0.465 1249 P HA -0.084 nan 4.420 nan 0.000 0.218 1249 P C 1.066 178.460 177.300 0.156 0.000 1.149 1249 P CA 0.755 63.928 63.100 0.122 0.000 0.817 1249 P CB 0.032 31.797 31.700 0.108 0.000 0.785 1250 W N -0.265 121.054 121.300 0.032 0.000 2.467 1250 W HA -0.066 4.594 4.660 -0.000 0.000 0.275 1250 W C 1.706 178.260 176.519 0.057 0.000 1.239 1250 W CA 0.913 58.275 57.345 0.028 0.000 1.266 1250 W CB -0.269 29.191 29.460 0.000 0.000 1.112 1250 W HN -0.312 nan 8.180 nan 0.000 0.576 1251 V N -0.113 119.951 119.914 0.251 0.000 2.535 1251 V HA -0.130 3.989 4.120 -0.000 0.000 0.246 1251 V C 2.477 178.590 176.094 0.031 0.000 1.045 1251 V CA 2.401 64.804 62.300 0.171 0.000 1.058 1251 V CB -1.526 30.454 31.823 0.261 0.000 0.689 1251 V HN 0.311 nan 8.190 nan 0.000 0.461 1252 T N 0.225 114.802 114.554 0.038 0.000 3.081 1252 T HA 0.041 4.390 4.350 -0.000 0.000 0.255 1252 T C 1.004 175.694 174.700 -0.017 0.000 1.113 1252 T CA 0.200 62.311 62.100 0.019 0.000 1.082 1252 T CB -0.286 68.605 68.868 0.038 0.000 0.939 1252 T HN 0.639 nan 8.240 nan 0.000 0.506 1253 Q N 1.634 121.395 119.800 -0.065 0.000 2.414 1253 Q HA 0.255 4.595 4.340 -0.000 0.000 0.288 1253 Q C -2.637 173.319 176.000 -0.074 0.000 1.086 1253 Q CA -1.374 54.378 55.803 -0.085 0.000 0.943 1253 Q CB -0.461 28.175 28.738 -0.169 0.000 1.282 1253 Q HN 0.114 nan 8.270 nan 0.000 0.438 1254 P HA 0.114 nan 4.420 nan 0.000 0.271 1254 P C -1.374 175.898 177.300 -0.047 0.000 1.216 1254 P CA -0.356 62.721 63.100 -0.037 0.000 0.771 1254 P CB 1.100 32.785 31.700 -0.025 0.000 0.864 1255 V N 3.737 123.627 119.914 -0.039 0.000 2.623 1255 V HA 0.348 4.468 4.120 -0.000 0.000 0.304 1255 V C -0.981 175.095 176.094 -0.030 0.000 1.054 1255 V CA -0.714 61.569 62.300 -0.029 0.000 0.882 1255 V CB 1.622 33.407 31.823 -0.063 0.000 1.002 1255 V HN 0.508 nan 8.190 nan 0.000 0.424 1256 N N 5.812 124.516 118.700 0.007 0.000 2.485 1256 N HA 0.330 5.070 4.740 -0.000 0.000 0.243 1256 N C 0.667 176.164 175.510 -0.021 0.000 0.987 1256 N CA -0.372 52.654 53.050 -0.041 0.000 0.940 1256 N CB 1.516 39.953 38.487 -0.083 0.000 1.122 1256 N HN 0.750 nan 8.380 nan 0.000 0.509 1257 L N 2.453 123.669 121.223 -0.012 0.000 2.478 1257 L HA 0.041 4.381 4.340 -0.000 0.000 0.223 1257 L C 2.239 179.148 176.870 0.065 0.000 1.140 1257 L CA 0.342 55.228 54.840 0.077 0.000 0.842 1257 L CB -0.093 41.942 42.059 -0.040 0.000 0.953 1257 L HN 0.517 nan 8.230 nan 0.000 0.452 1258 A N -0.018 122.785 122.820 -0.027 0.000 2.168 1258 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 1258 A C 1.866 179.380 177.584 -0.117 0.000 1.152 1258 A CA 1.451 53.464 52.037 -0.040 0.000 0.716 1258 A CB -0.856 18.117 19.000 -0.045 0.000 0.794 1258 A HN 0.510 nan 8.150 nan 0.000 0.465 1259 D N -1.992 118.228 120.400 -0.300 0.000 2.339 1259 D HA 0.372 5.011 4.640 -0.000 0.000 0.217 1259 D C -0.263 175.641 176.300 -0.659 0.000 1.050 1259 D CA 0.105 53.781 54.000 -0.539 0.000 0.856 1259 D CB -0.299 40.032 40.800 -0.783 0.000 0.922 1259 D HN 0.493 nan 8.370 nan 0.000 0.518 1260 Y N -0.259 120.075 120.300 0.057 0.000 2.346 1260 Y HA 0.531 5.081 4.550 -0.000 0.000 0.332 1260 Y C -0.059 176.040 175.900 0.330 0.000 0.985 1260 Y CA -1.445 56.737 58.100 0.135 0.000 1.112 1260 Y CB 2.120 40.567 38.460 -0.022 0.000 1.170 1260 Y HN -0.126 nan 8.280 nan 0.000 0.447 1261 T N 2.509 117.342 114.554 0.466 0.000 2.856 1261 T HA 0.040 4.389 4.350 -0.000 0.000 0.283 1261 T C 0.462 175.475 174.700 0.522 0.000 1.008 1261 T CA -0.709 61.635 62.100 0.408 0.000 0.997 1261 T CB 1.423 70.430 68.868 0.232 0.000 0.992 1261 T HN 0.902 nan 8.240 nan 0.000 0.454 1262 W N 2.234 123.646 121.300 0.186 0.000 2.321 1262 W HA -0.238 4.422 4.660 -0.000 0.000 0.306 1262 W C 2.016 178.676 176.519 0.235 0.000 1.217 1262 W CA 2.392 59.809 57.345 0.119 0.000 1.257 1262 W CB -0.233 29.158 29.460 -0.116 0.000 1.145 1262 W HN 0.999 nan 8.180 nan 0.000 0.509 1263 E N 0.726 121.072 120.200 0.243 0.000 2.085 1263 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 1263 E C 1.673 178.307 176.600 0.057 0.000 0.994 1263 E CA 1.876 58.356 56.400 0.133 0.000 0.801 1263 E CB -0.953 28.834 29.700 0.145 0.000 0.743 1263 E HN 0.626 nan 8.360 nan 0.000 0.453 1264 E N -0.589 119.670 120.200 0.098 0.000 2.250 1264 E HA 0.045 4.395 4.350 -0.000 0.000 0.192 1264 E C 2.216 178.845 176.600 0.047 0.000 0.986 1264 E CA 0.672 57.111 56.400 0.064 0.000 0.849 1264 E CB 0.548 30.300 29.700 0.087 0.000 0.797 1264 E HN 0.402 nan 8.360 nan 0.000 0.482 1265 V N 0.679 120.659 119.914 0.109 0.000 2.446 1265 V HA -0.049 4.071 4.120 -0.000 0.000 0.244 1265 V C 0.943 176.965 176.094 -0.120 0.000 1.039 1265 V CA 1.027 63.371 62.300 0.073 0.000 1.045 1265 V CB -0.121 31.879 31.823 0.295 0.000 0.681 1265 V HN 0.087 nan 8.190 nan 0.000 0.459 1266 F N 0.000 119.676 119.950 -0.457 0.000 2.286 1266 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1266 F CA 0.000 57.604 58.000 -0.659 0.000 1.383 1266 F CB 0.000 38.180 39.000 -1.367 0.000 1.145 1266 F HN 0.000 nan 8.300 nan 0.000 0.574