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 2auh_1_A DATA FIRST_RESID 984 DATA SEQUENCE YVPDEWEVSR EKITLLRELG QGSFGMVYEG NARDIIKGEA ETRVAVKTVN DATA SEQUENCE ESASLRERIE FLNEASVMKG FTCHHVVRLL GVVSKGQPTL VVMELMAHGD DATA SEQUENCE LKSYLRSLRP EAENNPGRPP PTLQEMIQMA AEIADGMAYL NAKKFVHRDL DATA SEQUENCE AARNCMVAHD FTVKIGDFGM TRDIXETDXX RKGGKGLLPV RWMAPESLKD DATA SEQUENCE GVFTTSSDMW SFGVVLWEIT SLAEQPYQGL SNEQVLKFVM DGGYLDQPDN DATA SEQUENCE CPERVTDLMR MCWQFNPNMR PTFLEIVNLL KDDLHPSFPE VSFFHSEENK 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 984 Y HA 0.000 nan 4.550 nan 0.000 0.201 984 Y C 0.000 175.919 175.900 0.031 0.000 1.272 984 Y CA 0.000 58.120 58.100 0.033 0.000 1.940 984 Y CB 0.000 38.486 38.460 0.043 0.000 1.050 985 V N 2.234 121.722 119.914 -0.709 0.000 2.752 985 V HA 0.642 4.762 4.120 0.000 0.000 0.302 985 V C -2.705 173.034 176.094 -0.591 0.000 1.133 985 V CA -1.650 60.388 62.300 -0.436 0.000 0.919 985 V CB 1.353 33.041 31.823 -0.225 0.000 1.026 985 V HN 0.731 nan 8.190 nan 0.000 0.429 986 P HA 0.206 nan 4.420 nan 0.000 0.271 986 P C -0.948 176.308 177.300 -0.074 0.000 1.212 986 P CA 0.754 63.800 63.100 -0.090 0.000 0.788 986 P CB 0.667 32.372 31.700 0.009 0.000 0.865 987 D N -2.569 117.854 120.400 0.038 0.000 2.992 987 D HA 0.068 4.708 4.640 0.000 0.000 0.349 987 D C 0.760 177.091 176.300 0.052 0.000 1.393 987 D CA 0.079 54.108 54.000 0.048 0.000 0.887 987 D CB -0.565 40.287 40.800 0.085 0.000 1.447 987 D HN 0.256 nan 8.370 nan 0.000 0.524 988 E N -0.697 119.468 120.200 -0.058 0.000 2.483 988 E HA -0.048 4.302 4.350 0.000 0.000 0.205 988 E C 0.964 177.301 176.600 -0.439 0.000 1.075 988 E CA 1.775 58.005 56.400 -0.283 0.000 0.889 988 E CB -1.103 28.334 29.700 -0.437 0.000 0.816 988 E HN 0.445 nan 8.360 nan 0.000 0.567 989 W N -0.895 120.417 121.300 0.020 0.000 3.797 989 W HA 0.291 4.952 4.660 0.000 0.000 0.217 989 W C 0.715 177.258 176.519 0.040 0.000 0.934 989 W CA -0.079 57.284 57.345 0.031 0.000 2.464 989 W CB -0.370 29.116 29.460 0.043 0.000 1.165 989 W HN 0.137 nan 8.180 nan 0.000 0.677 990 E N 2.097 122.500 120.200 0.338 0.000 0.853 990 E HA -0.132 4.218 4.350 0.000 0.000 0.299 990 E C -0.594 176.091 176.600 0.142 0.000 0.552 990 E CA 0.224 56.754 56.400 0.216 0.000 1.062 990 E CB -0.617 29.193 29.700 0.183 0.000 0.733 990 E HN -0.064 nan 8.360 nan 0.000 0.318 991 V N 3.858 123.852 119.914 0.133 0.000 2.686 991 V HA 0.137 4.258 4.120 0.000 0.000 0.295 991 V C 0.599 176.730 176.094 0.062 0.000 1.057 991 V CA -0.323 62.031 62.300 0.090 0.000 1.012 991 V CB 1.809 33.688 31.823 0.092 0.000 1.006 991 V HN 0.621 nan 8.190 nan 0.000 0.477 992 S N 3.592 119.318 115.700 0.043 0.000 2.555 992 S HA 0.005 4.476 4.470 0.000 0.000 0.293 992 S C 1.365 175.979 174.600 0.024 0.000 1.248 992 S CA -0.033 58.184 58.200 0.029 0.000 1.096 992 S CB -0.117 63.095 63.200 0.019 0.000 0.881 992 S HN 0.750 nan 8.310 nan 0.000 0.498 993 R N 2.784 123.295 120.500 0.020 0.000 2.117 993 R HA -0.182 4.158 4.340 0.000 0.000 0.243 993 R C 0.999 177.299 176.300 -0.000 0.000 1.143 993 R CA 1.599 57.704 56.100 0.008 0.000 0.968 993 R CB -0.138 30.163 30.300 0.002 0.000 0.863 993 R HN 0.518 nan 8.270 nan 0.000 0.444 994 E N 0.226 120.426 120.200 0.001 0.000 2.510 994 E HA -0.116 4.234 4.350 0.000 0.000 0.202 994 E C 0.976 177.575 176.600 -0.002 0.000 1.072 994 E CA 0.940 57.338 56.400 -0.004 0.000 0.883 994 E CB 0.124 29.823 29.700 -0.002 0.000 0.818 994 E HN 0.349 nan 8.360 nan 0.000 0.548 995 K N -0.296 120.106 120.400 0.003 0.000 2.358 995 K HA 0.146 4.466 4.320 0.000 0.000 0.197 995 K C -0.101 176.502 176.600 0.004 0.000 1.025 995 K CA 0.037 56.327 56.287 0.006 0.000 1.104 995 K CB 0.884 33.392 32.500 0.014 0.000 0.855 995 K HN 0.030 nan 8.250 nan 0.000 0.531 996 I N 2.186 122.756 120.570 -0.001 0.000 2.406 996 I HA 0.126 4.297 4.170 0.000 0.000 0.290 996 I C 0.082 176.185 176.117 -0.024 0.000 0.999 996 I CA -0.438 60.858 61.300 -0.007 0.000 1.124 996 I CB 1.466 39.463 38.000 -0.004 0.000 1.289 996 I HN -0.040 nan 8.210 nan 0.000 0.441 997 T N 4.261 118.800 114.554 -0.024 0.000 2.824 997 T HA 0.625 4.976 4.350 0.000 0.000 0.282 997 T C -0.508 174.166 174.700 -0.043 0.000 0.993 997 T CA -0.751 61.327 62.100 -0.036 0.000 0.967 997 T CB 1.757 70.611 68.868 -0.024 0.000 0.960 997 T HN 0.121 nan 8.240 nan 0.000 0.441 998 L N 4.451 125.626 121.223 -0.081 0.000 2.268 998 L HA 0.378 4.718 4.340 0.000 0.000 0.289 998 L C 1.112 177.959 176.870 -0.038 0.000 1.064 998 L CA -0.270 54.511 54.840 -0.098 0.000 0.824 998 L CB 0.086 41.973 42.059 -0.288 0.000 1.202 998 L HN 0.759 nan 8.230 nan 0.000 0.433 999 L N 2.433 123.665 121.223 0.014 0.000 1.995 999 L HA 0.151 4.491 4.340 0.000 0.000 0.206 999 L C 0.808 177.718 176.870 0.067 0.000 1.098 999 L CA 0.624 55.482 54.840 0.029 0.000 0.762 999 L CB -0.216 41.858 42.059 0.025 0.000 0.900 999 L HN 0.488 nan 8.230 nan 0.000 0.441 1000 R N -0.108 120.451 120.500 0.098 0.000 2.854 1000 R HA 0.355 4.696 4.340 0.000 0.000 0.271 1000 R C -0.703 175.707 176.300 0.185 0.000 0.996 1000 R CA -0.643 55.527 56.100 0.117 0.000 0.961 1000 R CB 2.020 32.357 30.300 0.061 0.000 1.182 1000 R HN 0.083 nan 8.270 nan 0.000 0.479 1001 E N 1.985 122.265 120.200 0.133 0.000 2.249 1001 E HA 0.175 4.525 4.350 0.000 0.000 0.280 1001 E C -0.287 176.272 176.600 -0.068 0.000 1.016 1001 E CA -0.203 56.178 56.400 -0.031 0.000 0.830 1001 E CB 0.793 30.452 29.700 -0.068 0.000 1.081 1001 E HN 0.477 nan 8.360 nan 0.000 0.395 1002 L N 3.216 124.361 121.223 -0.130 0.000 3.184 1002 L HA 0.432 4.772 4.340 0.000 0.000 0.283 1002 L C 0.208 177.038 176.870 -0.067 0.000 1.218 1002 L CA -0.121 54.682 54.840 -0.062 0.000 1.028 1002 L CB 1.188 43.234 42.059 -0.022 0.000 1.400 1002 L HN 0.644 nan 8.230 nan 0.000 0.591 1003 G N 0.707 109.435 108.800 -0.119 0.000 2.030 1003 G HA2 0.016 3.976 3.960 0.000 0.000 0.309 1003 G HA3 0.016 3.976 3.960 0.000 0.000 0.309 1003 G C -1.085 173.760 174.900 -0.091 0.000 1.668 1003 G CA -0.540 44.515 45.100 -0.074 0.000 0.926 1003 G HN -0.028 nan 8.290 nan 0.000 0.652 1004 Q N 2.129 121.896 119.800 -0.055 0.000 3.004 1004 Q HA 0.387 4.727 4.340 0.000 0.000 0.256 1004 Q C 1.146 177.153 176.000 0.013 0.000 1.387 1004 Q CA 0.136 55.917 55.803 -0.036 0.000 0.962 1004 Q CB -0.146 28.579 28.738 -0.021 0.000 1.676 1004 Q HN 0.758 nan 8.270 nan 0.000 0.568 1005 G N 0.520 109.358 108.800 0.062 0.000 2.716 1005 G HA2 0.009 3.969 3.960 0.000 0.000 0.251 1005 G HA3 0.009 3.969 3.960 0.000 0.000 0.251 1005 G C 0.690 175.683 174.900 0.155 0.000 1.224 1005 G CA 0.161 45.359 45.100 0.163 0.000 0.891 1005 G HN 0.632 nan 8.290 nan 0.000 0.561 1006 S N -1.083 114.726 115.700 0.182 0.000 2.527 1006 S HA 0.038 4.508 4.470 0.000 0.000 0.227 1006 S C 1.810 176.537 174.600 0.211 0.000 1.059 1006 S CA 0.576 58.854 58.200 0.129 0.000 0.919 1006 S CB -0.218 63.016 63.200 0.056 0.000 0.805 1006 S HN 0.768 nan 8.310 nan 0.000 0.500 1007 F N 1.214 121.130 119.950 -0.056 0.000 2.615 1007 F HA 0.590 5.117 4.527 0.000 0.000 0.297 1007 F C 1.193 176.912 175.800 -0.136 0.000 1.124 1007 F CA 0.074 58.020 58.000 -0.090 0.000 1.451 1007 F CB -0.079 38.868 39.000 -0.088 0.000 1.103 1007 F HN 0.422 nan 8.300 nan 0.000 0.569 1008 G N 0.851 109.614 108.800 -0.062 0.000 2.528 1008 G HA2 0.357 4.317 3.960 0.000 0.000 0.078 1008 G HA3 0.357 4.317 3.960 0.000 0.000 0.078 1008 G C -1.158 173.674 174.900 -0.114 0.000 1.008 1008 G CA -0.087 44.807 45.100 -0.343 0.000 1.309 1008 G HN 0.252 nan 8.290 nan 0.000 0.564 1009 M N -1.094 118.406 119.600 -0.167 0.000 3.196 1009 M HA 0.566 5.046 4.480 0.000 0.000 0.279 1009 M C -2.039 174.222 176.300 -0.065 0.000 1.173 1009 M CA -0.531 54.717 55.300 -0.088 0.000 0.820 1009 M CB 2.127 34.581 32.600 -0.244 0.000 1.621 1009 M HN 0.593 nan 8.290 nan 0.000 0.521 1010 V N 1.995 121.789 119.914 -0.201 0.000 2.488 1010 V HA 0.517 4.638 4.120 0.000 0.000 0.293 1010 V C -1.772 174.193 176.094 -0.214 0.000 1.027 1010 V CA -0.582 61.672 62.300 -0.078 0.000 0.862 1010 V CB 1.383 33.213 31.823 0.013 0.000 1.008 1010 V HN 0.699 nan 8.190 nan 0.000 0.428 1011 Y N 1.659 121.975 120.300 0.027 0.000 2.509 1011 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 1011 Y C 0.347 176.255 175.900 0.014 0.000 1.038 1011 Y CA -0.761 57.349 58.100 0.015 0.000 1.089 1011 Y CB 1.866 40.328 38.460 0.005 0.000 1.241 1011 Y HN 0.668 nan 8.280 nan 0.000 0.468 1012 E N 0.992 121.300 120.200 0.180 0.000 2.191 1012 E HA 0.721 5.071 4.350 0.000 0.000 0.274 1012 E C -0.697 175.954 176.600 0.085 0.000 0.948 1012 E CA -0.598 55.859 56.400 0.095 0.000 0.802 1012 E CB 1.560 31.291 29.700 0.051 0.000 1.137 1012 E HN 0.878 nan 8.360 nan 0.000 0.397 1013 G N 1.022 109.852 108.800 0.050 0.000 2.619 1013 G HA2 0.525 4.485 3.960 0.000 0.000 0.305 1013 G HA3 0.525 4.485 3.960 0.000 0.000 0.305 1013 G C -1.411 173.497 174.900 0.013 0.000 1.330 1013 G CA -0.252 44.864 45.100 0.026 0.000 0.789 1013 G HN 0.747 nan 8.290 nan 0.000 0.487 1014 N N -1.361 117.341 118.700 0.004 0.000 2.319 1014 N HA 0.967 5.707 4.740 0.000 0.000 0.305 1014 N C -0.170 175.342 175.510 0.004 0.000 1.103 1014 N CA 0.068 53.119 53.050 0.001 0.000 0.815 1014 N CB 2.129 40.613 38.487 -0.004 0.000 1.288 1014 N HN 1.674 nan 8.380 nan 0.000 0.493 1015 A N -0.600 122.225 122.820 0.007 0.000 2.430 1015 A HA 1.041 5.361 4.320 0.000 0.000 0.300 1015 A C 0.168 177.758 177.584 0.009 0.000 1.124 1015 A CA -0.280 51.764 52.037 0.012 0.000 0.766 1015 A CB 0.877 19.890 19.000 0.022 0.000 1.328 1015 A HN 1.675 nan 8.150 nan 0.000 0.424 1016 R N 0.566 121.073 120.500 0.011 0.000 2.561 1016 R HA 0.645 4.985 4.340 0.000 0.000 0.297 1016 R C -0.584 175.723 176.300 0.011 0.000 0.969 1016 R CA -0.022 56.083 56.100 0.008 0.000 0.879 1016 R CB 0.119 30.421 30.300 0.004 0.000 1.178 1016 R HN 0.978 nan 8.270 nan 0.000 0.445 1017 D N 1.803 122.208 120.400 0.009 0.000 2.812 1017 D HA -0.163 4.478 4.640 0.000 0.000 0.237 1017 D C 0.895 177.205 176.300 0.016 0.000 1.162 1017 D CA 1.513 55.518 54.000 0.009 0.000 0.740 1017 D CB -0.940 39.863 40.800 0.005 0.000 1.000 1017 D HN 0.778 nan 8.370 nan 0.000 0.416 1018 I N -3.445 117.139 120.570 0.023 0.000 3.136 1018 I HA 0.155 4.325 4.170 0.000 0.000 0.262 1018 I C 1.165 177.301 176.117 0.032 0.000 1.132 1018 I CA -0.011 61.311 61.300 0.038 0.000 1.450 1018 I CB 0.154 38.185 38.000 0.051 0.000 1.315 1018 I HN -0.103 nan 8.210 nan 0.000 0.460 1019 I N 3.731 124.317 120.570 0.028 0.000 2.282 1019 I HA 0.159 4.329 4.170 0.000 0.000 0.290 1019 I C 0.238 176.360 176.117 0.009 0.000 1.090 1019 I CA -0.388 60.925 61.300 0.022 0.000 1.231 1019 I CB 0.571 38.586 38.000 0.026 0.000 1.434 1019 I HN 0.194 nan 8.210 nan 0.000 0.487 1020 K N 5.833 126.234 120.400 0.000 0.000 2.258 1020 K HA 0.027 4.347 4.320 0.000 0.000 0.266 1020 K C 0.938 177.536 176.600 -0.003 0.000 1.204 1020 K CA 0.980 57.263 56.287 -0.006 0.000 1.206 1020 K CB -0.204 32.287 32.500 -0.015 0.000 0.854 1020 K HN 0.979 nan 8.250 nan 0.000 0.453 1021 G N 3.220 112.019 108.800 -0.001 0.000 3.382 1021 G HA2 -0.116 3.844 3.960 0.000 0.000 0.214 1021 G HA3 -0.116 3.844 3.960 0.000 0.000 0.214 1021 G C -0.648 174.252 174.900 0.000 0.000 1.025 1021 G CA -0.585 44.514 45.100 -0.001 0.000 0.869 1021 G HN 0.503 nan 8.290 nan 0.000 0.458 1022 E N 0.729 120.930 120.200 0.003 0.000 2.183 1022 E HA 0.720 5.070 4.350 0.000 0.000 0.271 1022 E C 1.031 177.632 176.600 0.003 0.000 0.919 1022 E CA 0.082 56.484 56.400 0.003 0.000 0.781 1022 E CB 1.859 31.563 29.700 0.005 0.000 1.140 1022 E HN 0.290 nan 8.360 nan 0.000 0.402 1023 A N 3.371 126.191 122.820 0.000 0.000 1.821 1023 A HA -0.027 4.293 4.320 0.000 0.000 0.215 1023 A C 0.982 178.567 177.584 0.002 0.000 1.216 1023 A CA 1.906 53.943 52.037 0.000 0.000 0.615 1023 A CB -0.593 18.406 19.000 -0.002 0.000 0.862 1023 A HN 0.638 nan 8.150 nan 0.000 0.450 1024 E N -1.279 118.921 120.200 0.000 0.000 2.212 1024 E HA 0.601 4.951 4.350 0.000 0.000 0.268 1024 E C -0.878 175.722 176.600 0.000 0.000 0.902 1024 E CA -0.313 56.088 56.400 0.001 0.000 0.779 1024 E CB 1.380 31.078 29.700 -0.002 0.000 1.172 1024 E HN 0.401 nan 8.360 nan 0.000 0.409 1025 T N 1.389 115.945 114.554 0.004 0.000 2.886 1025 T HA 0.530 4.880 4.350 0.000 0.000 0.292 1025 T C -0.160 174.542 174.700 0.002 0.000 1.012 1025 T CA -0.662 61.440 62.100 0.003 0.000 0.982 1025 T CB 1.304 70.179 68.868 0.012 0.000 1.018 1025 T HN 0.507 nan 8.240 nan 0.000 0.451 1026 R N 2.211 122.707 120.500 -0.007 0.000 2.347 1026 R HA 0.542 4.882 4.340 0.000 0.000 0.304 1026 R C 0.030 176.330 176.300 0.001 0.000 1.072 1026 R CA -0.243 55.851 56.100 -0.009 0.000 0.980 1026 R CB 0.138 30.422 30.300 -0.027 0.000 0.986 1026 R HN 0.581 nan 8.270 nan 0.000 0.448 1027 V N 0.504 120.426 119.914 0.012 0.000 3.164 1027 V HA 0.934 5.054 4.120 0.000 0.000 0.313 1027 V C -0.742 175.372 176.094 0.033 0.000 1.188 1027 V CA -1.080 61.234 62.300 0.024 0.000 1.058 1027 V CB 1.813 33.656 31.823 0.033 0.000 1.110 1027 V HN 0.789 nan 8.190 nan 0.000 0.453 1028 A N 0.466 123.311 122.820 0.041 0.000 2.317 1028 A HA 0.861 5.181 4.320 0.000 0.000 0.327 1028 A C -0.751 176.877 177.584 0.073 0.000 1.178 1028 A CA -0.648 51.422 52.037 0.056 0.000 0.817 1028 A CB 1.439 20.467 19.000 0.047 0.000 1.189 1028 A HN 1.396 nan 8.150 nan 0.000 0.489 1029 V N 2.835 122.812 119.914 0.106 0.000 2.443 1029 V HA 0.369 4.489 4.120 0.000 0.000 0.293 1029 V C -0.077 176.115 176.094 0.162 0.000 1.021 1029 V CA -0.632 61.741 62.300 0.122 0.000 0.848 1029 V CB 1.521 33.413 31.823 0.116 0.000 0.998 1029 V HN 0.911 nan 8.190 nan 0.000 0.424 1030 K N 3.476 123.968 120.400 0.154 0.000 2.240 1030 K HA 0.604 4.924 4.320 0.000 0.000 0.271 1030 K C 0.159 176.847 176.600 0.146 0.000 1.018 1030 K CA -0.248 56.148 56.287 0.183 0.000 0.874 1030 K CB 1.387 34.051 32.500 0.274 0.000 1.098 1030 K HN 0.866 nan 8.250 nan 0.000 0.458 1031 T N -0.170 114.379 114.554 -0.008 0.000 2.936 1031 T HA 0.433 4.784 4.350 0.000 0.000 0.282 1031 T C -0.747 173.567 174.700 -0.644 0.000 1.003 1031 T CA -0.794 61.207 62.100 -0.166 0.000 1.005 1031 T CB 1.644 70.489 68.868 -0.039 0.000 1.097 1031 T HN 0.279 nan 8.240 nan 0.000 0.532 1032 V N 2.601 122.096 119.914 -0.698 0.000 2.482 1032 V HA 0.385 4.505 4.120 0.000 0.000 0.295 1032 V C -0.521 175.273 176.094 -0.500 0.000 1.026 1032 V CA -1.074 60.640 62.300 -0.977 0.000 0.856 1032 V CB 1.362 32.356 31.823 -1.383 0.000 1.001 1032 V HN 1.011 nan 8.190 nan 0.000 0.424 1033 N N 4.461 122.926 118.700 -0.390 0.000 2.294 1033 N HA 0.023 4.763 4.740 0.000 0.000 0.248 1033 N C 1.387 176.797 175.510 -0.166 0.000 1.242 1033 N CA 0.969 53.898 53.050 -0.202 0.000 0.848 1033 N CB 1.266 39.677 38.487 -0.127 0.000 1.084 1033 N HN 0.924 nan 8.380 nan 0.000 0.457 1034 E N 1.237 121.372 120.200 -0.109 0.000 2.038 1034 E HA -0.150 4.201 4.350 0.000 0.000 0.195 1034 E C 0.965 177.527 176.600 -0.062 0.000 1.000 1034 E CA 1.653 58.006 56.400 -0.079 0.000 0.803 1034 E CB -0.551 29.118 29.700 -0.052 0.000 0.750 1034 E HN 0.648 nan 8.360 nan 0.000 0.448 1035 S N 0.008 115.678 115.700 -0.050 0.000 3.681 1035 S HA 0.729 5.199 4.470 0.000 0.000 0.203 1035 S C 0.421 175.002 174.600 -0.032 0.000 1.408 1035 S CA -0.194 57.987 58.200 -0.031 0.000 0.942 1035 S CB 0.416 63.604 63.200 -0.019 0.000 1.437 1035 S HN 0.773 nan 8.310 nan 0.000 0.482 1036 A N 1.944 124.740 122.820 -0.041 0.000 2.951 1036 A HA 0.831 5.151 4.320 0.000 0.000 0.239 1036 A C 0.473 178.058 177.584 0.002 0.000 1.623 1036 A CA -0.696 51.324 52.037 -0.029 0.000 0.868 1036 A CB -0.008 18.952 19.000 -0.067 0.000 1.712 1036 A HN 0.671 nan 8.150 nan 0.000 0.558 1037 S N -1.155 114.558 115.700 0.022 0.000 2.508 1037 S HA 0.324 4.794 4.470 0.000 0.000 0.284 1037 S C 0.936 175.557 174.600 0.034 0.000 1.192 1037 S CA -0.564 57.655 58.200 0.032 0.000 1.070 1037 S CB 0.648 63.875 63.200 0.046 0.000 1.004 1037 S HN 0.999 nan 8.310 nan 0.000 0.493 1038 L N 5.662 126.903 121.223 0.030 0.000 2.129 1038 L HA -0.047 4.293 4.340 0.000 0.000 0.212 1038 L C 2.257 179.153 176.870 0.044 0.000 1.087 1038 L CA 1.984 56.843 54.840 0.033 0.000 0.757 1038 L CB -0.842 41.234 42.059 0.029 0.000 0.896 1038 L HN 0.872 nan 8.230 nan 0.000 0.434 1039 R N -0.903 119.624 120.500 0.046 0.000 2.057 1039 R HA -0.143 4.197 4.340 0.000 0.000 0.224 1039 R C 2.256 178.600 176.300 0.074 0.000 1.136 1039 R CA 1.109 57.241 56.100 0.053 0.000 0.968 1039 R CB -0.195 30.131 30.300 0.043 0.000 0.863 1039 R HN 0.369 nan 8.270 nan 0.000 0.433 1040 E N 0.722 120.973 120.200 0.084 0.000 2.085 1040 E HA -0.188 4.162 4.350 0.000 0.000 0.194 1040 E C 1.972 178.675 176.600 0.172 0.000 0.994 1040 E CA 1.548 58.029 56.400 0.135 0.000 0.801 1040 E CB 0.005 29.800 29.700 0.158 0.000 0.743 1040 E HN 0.241 nan 8.360 nan 0.000 0.453 1041 R N -0.069 120.498 120.500 0.112 0.000 2.122 1041 R HA -0.192 4.149 4.340 0.000 0.000 0.236 1041 R C 2.516 178.921 176.300 0.175 0.000 1.129 1041 R CA 2.137 58.305 56.100 0.113 0.000 0.925 1041 R CB -0.687 29.649 30.300 0.060 0.000 0.850 1041 R HN 0.297 nan 8.270 nan 0.000 0.431 1042 I N 0.630 121.275 120.570 0.125 0.000 2.118 1042 I HA -0.306 3.864 4.170 0.000 0.000 0.241 1042 I C 2.183 178.374 176.117 0.123 0.000 1.070 1042 I CA 1.513 62.880 61.300 0.111 0.000 1.327 1042 I CB -0.455 37.593 38.000 0.080 0.000 1.034 1042 I HN 0.295 nan 8.210 nan 0.000 0.405 1043 E N -0.022 120.258 120.200 0.133 0.000 2.333 1043 E HA -0.228 4.122 4.350 0.000 0.000 0.198 1043 E C 1.863 178.574 176.600 0.184 0.000 1.007 1043 E CA 0.945 57.422 56.400 0.128 0.000 0.845 1043 E CB -0.025 29.742 29.700 0.112 0.000 0.766 1043 E HN 0.433 nan 8.360 nan 0.000 0.507 1044 F N 0.643 120.638 119.950 0.075 0.000 2.123 1044 F HA -0.038 4.490 4.527 0.000 0.000 0.289 1044 F C 1.883 177.688 175.800 0.008 0.000 1.099 1044 F CA 0.899 58.946 58.000 0.079 0.000 1.234 1044 F CB -0.228 38.810 39.000 0.063 0.000 1.034 1044 F HN -0.114 nan 8.300 nan 0.000 0.479 1045 L N 0.346 121.582 121.223 0.021 0.000 2.079 1045 L HA -0.254 4.086 4.340 0.000 0.000 0.210 1045 L C 2.225 179.033 176.870 -0.103 0.000 1.081 1045 L CA 1.696 56.473 54.840 -0.106 0.000 0.752 1045 L CB -1.051 41.028 42.059 0.034 0.000 0.896 1045 L HN 0.270 nan 8.230 nan 0.000 0.433 1046 N N 0.484 119.164 118.700 -0.033 0.000 2.018 1046 N HA -0.289 4.451 4.740 0.000 0.000 0.196 1046 N C 1.792 177.243 175.510 -0.099 0.000 1.043 1046 N CA 1.965 54.992 53.050 -0.038 0.000 0.856 1046 N CB -0.107 38.384 38.487 0.005 0.000 1.042 1046 N HN 0.327 nan 8.380 nan 0.000 0.423 1047 E N -0.322 119.827 120.200 -0.084 0.000 2.048 1047 E HA -0.294 4.056 4.350 0.000 0.000 0.202 1047 E C 1.824 178.320 176.600 -0.173 0.000 1.021 1047 E CA 1.642 58.009 56.400 -0.056 0.000 0.825 1047 E CB -0.435 29.232 29.700 -0.055 0.000 0.756 1047 E HN 0.470 nan 8.360 nan 0.000 0.454 1048 A N 0.736 123.354 122.820 -0.337 0.000 1.842 1048 A HA -0.298 4.023 4.320 0.000 0.000 0.217 1048 A C 2.425 179.807 177.584 -0.337 0.000 1.206 1048 A CA 2.699 54.504 52.037 -0.386 0.000 0.630 1048 A CB -1.481 17.225 19.000 -0.490 0.000 0.839 1048 A HN 0.441 nan 8.150 nan 0.000 0.447 1049 S N -0.754 114.798 115.700 -0.247 0.000 2.404 1049 S HA -0.217 4.253 4.470 0.000 0.000 0.230 1049 S C 1.898 176.304 174.600 -0.325 0.000 1.046 1049 S CA 2.514 60.590 58.200 -0.205 0.000 1.135 1049 S CB -0.987 62.163 63.200 -0.082 0.000 1.056 1049 S HN 0.527 nan 8.310 nan 0.000 0.426 1050 V N 2.370 122.078 119.914 -0.343 0.000 2.313 1050 V HA -0.324 3.796 4.120 0.000 0.000 0.253 1050 V C 2.537 178.046 176.094 -0.975 0.000 1.070 1050 V CA 2.633 64.582 62.300 -0.586 0.000 1.057 1050 V CB -0.860 30.633 31.823 -0.550 0.000 0.653 1050 V HN 0.573 nan 8.190 nan 0.000 0.450 1051 M N -0.889 118.322 119.600 -0.648 0.000 2.159 1051 M HA -0.196 4.284 4.480 0.000 0.000 0.263 1051 M C 2.216 178.164 176.300 -0.586 0.000 1.063 1051 M CA 1.709 56.681 55.300 -0.545 0.000 1.110 1051 M CB -0.557 31.900 32.600 -0.238 0.000 1.374 1051 M HN 0.241 nan 8.290 nan 0.000 0.411 1052 K N 0.186 120.243 120.400 -0.571 0.000 2.242 1052 K HA -0.169 4.152 4.320 0.000 0.000 0.206 1052 K C 1.829 178.330 176.600 -0.165 0.000 1.045 1052 K CA 1.290 57.299 56.287 -0.464 0.000 0.930 1052 K CB -0.483 31.788 32.500 -0.382 0.000 0.726 1052 K HN 0.514 nan 8.250 nan 0.000 0.462 1053 G N -0.099 108.451 108.800 -0.416 0.000 2.939 1053 G HA2 0.045 4.006 3.960 0.000 0.000 0.210 1053 G HA3 0.045 4.006 3.960 0.000 0.000 0.210 1053 G C 0.043 174.878 174.900 -0.107 0.000 1.160 1053 G CA -0.296 44.656 45.100 -0.247 0.000 0.770 1053 G HN -0.024 nan 8.290 nan 0.000 0.543 1054 F N 0.769 120.766 119.950 0.078 0.000 2.371 1054 F HA 0.617 5.144 4.527 0.000 0.000 0.329 1054 F C 0.421 176.298 175.800 0.127 0.000 1.107 1054 F CA -0.982 57.137 58.000 0.198 0.000 1.137 1054 F CB 1.682 40.747 39.000 0.107 0.000 1.214 1054 F HN -0.314 nan 8.300 nan 0.000 0.536 1055 T N 1.257 115.982 114.554 0.285 0.000 3.422 1055 T HA 0.345 4.696 4.350 0.000 0.000 0.327 1055 T C -1.630 172.887 174.700 -0.305 0.000 0.840 1055 T CA -0.464 61.663 62.100 0.046 0.000 1.126 1055 T CB 0.557 69.504 68.868 0.132 0.000 1.008 1055 T HN 0.840 nan 8.240 nan 0.000 0.485 1056 C N 2.793 121.874 119.300 -0.364 0.000 2.701 1056 C HA 0.529 4.989 4.460 0.000 0.000 0.336 1056 C C 1.503 176.376 174.990 -0.194 0.000 1.123 1056 C CA -0.455 58.282 59.018 -0.469 0.000 1.326 1056 C CB 0.745 27.927 27.740 -0.931 0.000 1.833 1056 C HN 1.087 nan 8.230 nan 0.000 0.473 1057 H N 1.667 120.572 119.070 -0.275 0.000 2.489 1057 H HA -0.034 4.523 4.556 0.000 0.000 0.295 1057 H C 1.102 176.307 175.328 -0.206 0.000 1.082 1057 H CA 2.311 58.201 56.048 -0.264 0.000 1.295 1057 H CB -0.078 29.453 29.762 -0.386 0.000 1.380 1057 H HN 0.862 nan 8.280 nan 0.000 0.548 1058 H N -1.334 117.699 119.070 -0.061 0.000 2.487 1058 H HA 0.361 4.918 4.556 0.000 0.000 0.290 1058 H C -0.705 174.595 175.328 -0.047 0.000 1.081 1058 H CA -0.191 55.822 56.048 -0.057 0.000 1.116 1058 H CB 0.722 30.517 29.762 0.055 0.000 1.560 1058 H HN 0.009 nan 8.280 nan 0.000 0.548 1059 V N 1.476 121.402 119.914 0.020 0.000 2.516 1059 V HA 0.030 4.150 4.120 0.000 0.000 0.271 1059 V C 0.110 176.261 176.094 0.095 0.000 0.992 1059 V CA -0.964 61.380 62.300 0.073 0.000 0.857 1059 V CB 1.427 33.257 31.823 0.012 0.000 1.047 1059 V HN 0.067 nan 8.190 nan 0.000 0.455 1060 V N 4.387 124.360 119.914 0.097 0.000 3.067 1060 V HA -0.192 3.928 4.120 0.000 0.000 0.285 1060 V C 1.169 177.328 176.094 0.109 0.000 1.308 1060 V CA 1.054 63.405 62.300 0.085 0.000 1.374 1060 V CB -0.286 31.587 31.823 0.083 0.000 0.808 1060 V HN 0.929 nan 8.190 nan 0.000 0.448 1061 R N 4.615 125.155 120.500 0.066 0.000 2.390 1061 R HA 0.405 4.745 4.340 0.000 0.000 0.291 1061 R C -0.425 175.905 176.300 0.050 0.000 1.070 1061 R CA -0.894 55.247 56.100 0.068 0.000 1.014 1061 R CB 0.824 31.163 30.300 0.064 0.000 1.007 1061 R HN 0.580 nan 8.270 nan 0.000 0.466 1062 L N 5.279 126.510 121.223 0.013 0.000 2.350 1062 L HA 0.222 4.562 4.340 0.000 0.000 0.275 1062 L C -0.035 176.842 176.870 0.012 0.000 1.099 1062 L CA 0.315 55.110 54.840 -0.076 0.000 0.808 1062 L CB 1.350 43.233 42.059 -0.295 0.000 1.149 1062 L HN 0.836 nan 8.230 nan 0.000 0.442 1063 L N 3.368 124.616 121.223 0.041 0.000 2.624 1063 L HA 0.569 4.909 4.340 0.000 0.000 0.222 1063 L C 0.818 177.845 176.870 0.261 0.000 1.046 1063 L CA 0.299 55.241 54.840 0.170 0.000 0.872 1063 L CB 0.198 42.324 42.059 0.112 0.000 1.190 1063 L HN 0.760 nan 8.230 nan 0.000 0.487 1064 G N -0.442 108.445 108.800 0.145 0.000 2.576 1064 G HA2 0.570 4.530 3.960 0.000 0.000 0.290 1064 G HA3 0.570 4.530 3.960 0.000 0.000 0.290 1064 G C -1.926 173.022 174.900 0.080 0.000 1.442 1064 G CA -0.328 44.891 45.100 0.199 0.000 0.792 1064 G HN -0.252 nan 8.290 nan 0.000 0.491 1065 V N -1.021 118.969 119.914 0.127 0.000 3.141 1065 V HA 0.837 4.958 4.120 0.000 0.000 0.312 1065 V C -0.654 175.500 176.094 0.101 0.000 1.157 1065 V CA -0.753 61.586 62.300 0.065 0.000 1.041 1065 V CB 2.274 34.139 31.823 0.070 0.000 1.071 1065 V HN 0.831 nan 8.190 nan 0.000 0.441 1066 V N 1.329 121.282 119.914 0.066 0.000 2.757 1066 V HA 0.192 4.312 4.120 0.000 0.000 0.262 1066 V C 0.524 176.653 176.094 0.059 0.000 0.971 1066 V CA 0.326 62.670 62.300 0.074 0.000 0.906 1066 V CB 1.458 33.309 31.823 0.046 0.000 1.056 1066 V HN 1.027 nan 8.190 nan 0.000 0.489 1067 S N 1.261 117.032 115.700 0.119 0.000 2.548 1067 S HA 0.111 4.582 4.470 0.000 0.000 0.215 1067 S C 1.175 175.833 174.600 0.096 0.000 0.976 1067 S CA 0.532 58.805 58.200 0.122 0.000 0.908 1067 S CB -0.073 63.325 63.200 0.330 0.000 0.781 1067 S HN 0.895 nan 8.310 nan 0.000 0.519 1068 K N 1.759 122.208 120.400 0.081 0.000 2.054 1068 K HA 0.544 4.864 4.320 0.000 0.000 0.242 1068 K C 0.695 177.313 176.600 0.030 0.000 1.157 1068 K CA 0.128 56.448 56.287 0.055 0.000 1.079 1068 K CB -1.581 30.949 32.500 0.050 0.000 1.331 1068 K HN 1.479 nan 8.250 nan 0.000 0.317 1069 G N 1.723 110.537 108.800 0.024 0.000 3.409 1069 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 1069 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 1069 G C -0.415 174.480 174.900 -0.008 0.000 1.017 1069 G CA -0.528 44.576 45.100 0.007 0.000 0.854 1069 G HN 0.887 nan 8.290 nan 0.000 0.508 1070 Q N 2.434 122.224 119.800 -0.016 0.000 2.349 1070 Q HA 0.317 4.657 4.340 0.000 0.000 0.287 1070 Q C -1.300 174.675 176.000 -0.041 0.000 1.044 1070 Q CA -0.450 55.331 55.803 -0.036 0.000 0.918 1070 Q CB 0.728 29.443 28.738 -0.038 0.000 1.242 1070 Q HN 0.609 nan 8.270 nan 0.000 0.405 1071 P HA 0.126 nan 4.420 nan 0.000 0.282 1071 P C -0.748 176.508 177.300 -0.074 0.000 1.249 1071 P CA -0.419 62.631 63.100 -0.082 0.000 0.806 1071 P CB 1.047 32.690 31.700 -0.096 0.000 0.984 1072 T N 2.215 116.713 114.554 -0.094 0.000 2.899 1072 T HA 0.401 4.752 4.350 0.000 0.000 0.295 1072 T C 0.299 174.986 174.700 -0.021 0.000 1.033 1072 T CA -0.078 61.991 62.100 -0.051 0.000 1.084 1072 T CB 0.131 68.969 68.868 -0.050 0.000 0.979 1072 T HN 0.238 nan 8.240 nan 0.000 0.532 1073 L N 1.675 122.917 121.223 0.031 0.000 2.388 1073 L HA 0.702 5.042 4.340 0.000 0.000 0.264 1073 L C -0.980 175.936 176.870 0.076 0.000 0.998 1073 L CA -1.243 53.637 54.840 0.066 0.000 0.817 1073 L CB 2.207 44.285 42.059 0.032 0.000 1.338 1073 L HN 0.301 nan 8.230 nan 0.000 0.414 1074 V N 2.806 122.779 119.914 0.099 0.000 2.380 1074 V HA 0.254 4.374 4.120 0.000 0.000 0.286 1074 V C -0.076 176.032 176.094 0.023 0.000 1.015 1074 V CA -0.596 61.705 62.300 0.003 0.000 0.834 1074 V CB 1.931 33.697 31.823 -0.094 0.000 1.009 1074 V HN 0.440 nan 8.190 nan 0.000 0.428 1075 V N 7.155 127.079 119.914 0.016 0.000 2.405 1075 V HA 0.380 4.500 4.120 0.000 0.000 0.264 1075 V C 0.236 176.344 176.094 0.024 0.000 1.048 1075 V CA 0.356 62.677 62.300 0.035 0.000 0.966 1075 V CB 0.776 32.630 31.823 0.052 0.000 1.015 1075 V HN 0.817 nan 8.190 nan 0.000 0.477 1076 M N 3.814 123.434 119.600 0.033 0.000 2.724 1076 M HA 0.476 4.956 4.480 0.000 0.000 0.310 1076 M C 0.090 176.413 176.300 0.038 0.000 1.217 1076 M CA -0.724 54.594 55.300 0.031 0.000 0.894 1076 M CB 1.918 34.539 32.600 0.035 0.000 1.719 1076 M HN 0.709 nan 8.290 nan 0.000 0.479 1077 E N 1.053 121.276 120.200 0.038 0.000 2.384 1077 E HA 0.251 4.601 4.350 0.000 0.000 0.266 1077 E C -0.902 175.712 176.600 0.024 0.000 1.012 1077 E CA -0.644 55.775 56.400 0.032 0.000 0.901 1077 E CB 0.575 30.294 29.700 0.031 0.000 0.967 1077 E HN 0.448 nan 8.360 nan 0.000 0.435 1078 L N 4.121 125.354 121.223 0.016 0.000 2.477 1078 L HA 0.091 4.431 4.340 0.000 0.000 0.272 1078 L C -0.611 176.259 176.870 0.000 0.000 1.157 1078 L CA 0.403 55.248 54.840 0.008 0.000 0.889 1078 L CB 0.468 42.524 42.059 -0.005 0.000 1.158 1078 L HN 0.694 nan 8.230 nan 0.000 0.473 1079 M N 6.035 125.636 119.600 0.002 0.000 2.495 1079 M HA 0.249 4.729 4.480 0.000 0.000 0.346 1079 M C 1.290 177.580 176.300 -0.017 0.000 1.251 1079 M CA -0.160 55.139 55.300 -0.002 0.000 1.249 1079 M CB 0.053 32.657 32.600 0.006 0.000 1.229 1079 M HN 0.850 nan 8.290 nan 0.000 0.450 1080 A N 2.245 125.037 122.820 -0.046 0.000 1.923 1080 A HA -0.218 4.102 4.320 0.000 0.000 0.222 1080 A C 1.587 179.063 177.584 -0.179 0.000 1.258 1080 A CA 1.936 53.899 52.037 -0.124 0.000 0.670 1080 A CB -0.812 18.101 19.000 -0.144 0.000 0.834 1080 A HN 0.778 nan 8.150 nan 0.000 0.470 1081 H N 0.048 119.080 119.070 -0.064 0.000 2.566 1081 H HA 0.320 4.877 4.556 0.000 0.000 0.280 1081 H C 1.502 176.826 175.328 -0.008 0.000 1.042 1081 H CA 0.639 56.649 56.048 -0.063 0.000 1.168 1081 H CB -0.969 28.658 29.762 -0.225 0.000 1.340 1081 H HN 0.808 nan 8.280 nan 0.000 0.597 1082 G N 1.843 110.690 108.800 0.079 0.000 2.752 1082 G HA2 -0.251 3.710 3.960 0.000 0.000 0.234 1082 G HA3 -0.251 3.710 3.960 0.000 0.000 0.234 1082 G C -0.252 174.695 174.900 0.077 0.000 1.367 1082 G CA -0.153 44.994 45.100 0.077 0.000 0.879 1082 G HN 0.510 nan 8.290 nan 0.000 0.563 1083 D N -0.046 120.394 120.400 0.067 0.000 2.372 1083 D HA 0.245 4.885 4.640 0.000 0.000 0.243 1083 D C 1.708 178.069 176.300 0.103 0.000 1.121 1083 D CA -0.331 53.700 54.000 0.051 0.000 0.898 1083 D CB 1.525 42.333 40.800 0.013 0.000 1.202 1083 D HN 0.500 nan 8.370 nan 0.000 0.428 1084 L N 1.896 123.174 121.223 0.092 0.000 2.043 1084 L HA -0.241 4.099 4.340 0.000 0.000 0.212 1084 L C 2.255 179.200 176.870 0.124 0.000 1.075 1084 L CA 1.859 56.787 54.840 0.147 0.000 0.752 1084 L CB -0.858 41.256 42.059 0.092 0.000 0.891 1084 L HN 0.509 nan 8.230 nan 0.000 0.432 1085 K N -0.633 119.808 120.400 0.068 0.000 2.020 1085 K HA -0.157 4.163 4.320 0.000 0.000 0.212 1085 K C 2.045 178.677 176.600 0.053 0.000 1.050 1085 K CA 2.019 58.339 56.287 0.055 0.000 0.929 1085 K CB -0.376 32.147 32.500 0.039 0.000 0.714 1085 K HN 0.443 nan 8.250 nan 0.000 0.443 1086 S N 0.242 115.983 115.700 0.069 0.000 2.368 1086 S HA -0.167 4.303 4.470 0.000 0.000 0.225 1086 S C 1.745 176.405 174.600 0.101 0.000 1.030 1086 S CA 1.275 59.519 58.200 0.073 0.000 0.999 1086 S CB -0.533 62.715 63.200 0.080 0.000 0.844 1086 S HN 0.412 nan 8.310 nan 0.000 0.459 1087 Y N 2.254 122.572 120.300 0.030 0.000 2.181 1087 Y HA -0.075 4.475 4.550 0.000 0.000 0.288 1087 Y C 1.809 177.705 175.900 -0.007 0.000 1.146 1087 Y CA 1.020 59.140 58.100 0.033 0.000 1.164 1087 Y CB -0.600 37.890 38.460 0.050 0.000 0.982 1087 Y HN 0.142 nan 8.280 nan 0.000 0.515 1088 L N -0.362 120.752 121.223 -0.180 0.000 1.988 1088 L HA -0.225 4.115 4.340 0.000 0.000 0.207 1088 L C 2.664 179.404 176.870 -0.216 0.000 1.071 1088 L CA 1.343 56.020 54.840 -0.270 0.000 0.744 1088 L CB -0.580 41.405 42.059 -0.124 0.000 0.893 1088 L HN -0.002 nan 8.230 nan 0.000 0.433 1089 R N 0.136 120.570 120.500 -0.109 0.000 2.226 1089 R HA -0.164 4.176 4.340 0.000 0.000 0.246 1089 R C 2.253 178.499 176.300 -0.089 0.000 1.161 1089 R CA 1.619 57.673 56.100 -0.077 0.000 0.997 1089 R CB -0.842 29.443 30.300 -0.026 0.000 0.870 1089 R HN 0.536 nan 8.270 nan 0.000 0.465 1090 S N -0.915 114.715 115.700 -0.117 0.000 2.575 1090 S HA 0.103 4.574 4.470 0.000 0.000 0.215 1090 S C 1.730 176.236 174.600 -0.156 0.000 0.966 1090 S CA -0.091 58.050 58.200 -0.097 0.000 0.911 1090 S CB 0.065 63.244 63.200 -0.035 0.000 0.780 1090 S HN 0.210 nan 8.310 nan 0.000 0.514 1091 L N 0.721 121.804 121.223 -0.233 0.000 2.554 1091 L HA 0.284 4.625 4.340 0.000 0.000 0.225 1091 L C 0.879 177.654 176.870 -0.160 0.000 1.104 1091 L CA -0.221 54.477 54.840 -0.238 0.000 0.866 1091 L CB 0.003 41.859 42.059 -0.339 0.000 1.047 1091 L HN 0.127 nan 8.230 nan 0.000 0.468 1092 R N 1.779 122.198 120.500 -0.136 0.000 2.538 1092 R HA -0.011 4.329 4.340 0.000 0.000 0.282 1092 R C -1.416 174.836 176.300 -0.081 0.000 1.009 1092 R CA -0.881 55.156 56.100 -0.104 0.000 1.063 1092 R CB -0.048 30.201 30.300 -0.086 0.000 0.945 1092 R HN -0.013 nan 8.270 nan 0.000 0.414 1093 P HA -0.238 nan 4.420 nan 0.000 0.216 1093 P C 0.613 177.887 177.300 -0.043 0.000 1.150 1093 P CA 1.601 64.668 63.100 -0.056 0.000 0.843 1093 P CB 0.110 31.777 31.700 -0.054 0.000 0.787 1094 E N 0.071 120.246 120.200 -0.042 0.000 2.418 1094 E HA 0.106 4.456 4.350 0.000 0.000 0.197 1094 E C 0.821 177.405 176.600 -0.028 0.000 1.026 1094 E CA -0.104 56.277 56.400 -0.032 0.000 0.862 1094 E CB -0.558 29.124 29.700 -0.031 0.000 0.799 1094 E HN 0.104 nan 8.360 nan 0.000 0.518 1095 A N 1.163 123.963 122.820 -0.034 0.000 2.548 1095 A HA 0.246 4.567 4.320 0.000 0.000 0.247 1095 A C 1.320 178.895 177.584 -0.015 0.000 1.067 1095 A CA 0.702 52.723 52.037 -0.027 0.000 0.757 1095 A CB 0.106 19.082 19.000 -0.039 0.000 0.996 1095 A HN 0.465 nan 8.150 nan 0.000 0.504 1096 E N 2.460 122.656 120.200 -0.007 0.000 2.107 1096 E HA -0.166 4.185 4.350 0.000 0.000 0.191 1096 E C 1.025 177.630 176.600 0.007 0.000 0.982 1096 E CA 1.192 57.592 56.400 0.000 0.000 0.809 1096 E CB -0.555 29.147 29.700 0.003 0.000 0.756 1096 E HN 0.930 nan 8.360 nan 0.000 0.459 1097 N N 0.889 119.595 118.700 0.010 0.000 2.455 1097 N HA -0.020 4.721 4.740 0.000 0.000 0.258 1097 N C -0.278 175.248 175.510 0.026 0.000 1.158 1097 N CA -0.350 52.715 53.050 0.025 0.000 0.893 1097 N CB -0.577 37.930 38.487 0.034 0.000 1.173 1097 N HN 0.304 nan 8.380 nan 0.000 0.503 1098 N N 2.175 120.881 118.700 0.009 0.000 2.454 1098 N HA 0.009 4.749 4.740 0.000 0.000 0.254 1098 N C -1.399 174.127 175.510 0.026 0.000 1.228 1098 N CA -0.584 52.464 53.050 -0.003 0.000 0.900 1098 N CB 1.208 39.685 38.487 -0.018 0.000 1.089 1098 N HN 0.179 nan 8.380 nan 0.000 0.449 1099 P HA 0.144 nan 4.420 nan 0.000 0.253 1099 P C 0.444 177.776 177.300 0.055 0.000 1.260 1099 P CA 0.366 63.514 63.100 0.080 0.000 0.800 1099 P CB 0.128 31.905 31.700 0.129 0.000 1.162 1100 G N 1.195 110.006 108.800 0.019 0.000 2.143 1100 G HA2 -0.247 3.713 3.960 0.000 0.000 0.249 1100 G HA3 -0.247 3.713 3.960 0.000 0.000 0.249 1100 G C 0.104 175.000 174.900 -0.007 0.000 0.981 1100 G CA 0.190 45.296 45.100 0.011 0.000 0.665 1100 G HN 0.645 nan 8.290 nan 0.000 0.528 1101 R N -0.480 120.002 120.500 -0.029 0.000 2.867 1101 R HA 0.834 5.174 4.340 0.000 0.000 0.268 1101 R C -2.582 173.667 176.300 -0.085 0.000 1.014 1101 R CA -1.852 54.215 56.100 -0.055 0.000 0.946 1101 R CB 1.369 31.626 30.300 -0.071 0.000 1.208 1101 R HN 0.132 nan 8.270 nan 0.000 0.477 1102 P HA 0.303 nan 4.420 nan 0.000 0.279 1102 P C -2.512 174.704 177.300 -0.139 0.000 1.282 1102 P CA -1.453 61.586 63.100 -0.102 0.000 0.788 1102 P CB -0.170 31.479 31.700 -0.084 0.000 1.139 1103 P HA 0.187 nan 4.420 nan 0.000 0.273 1103 P C -2.125 175.078 177.300 -0.162 0.000 1.250 1103 P CA -1.093 61.904 63.100 -0.172 0.000 0.793 1103 P CB -1.253 30.354 31.700 -0.155 0.000 1.011 1104 P HA -0.038 nan 4.420 nan 0.000 0.265 1104 P C -0.243 176.985 177.300 -0.121 0.000 1.193 1104 P CA 0.494 63.510 63.100 -0.141 0.000 0.765 1104 P CB 0.165 31.790 31.700 -0.125 0.000 0.823 1105 T N 2.854 117.343 114.554 -0.109 0.000 2.922 1105 T HA 0.079 4.429 4.350 0.000 0.000 0.285 1105 T C 1.426 176.071 174.700 -0.092 0.000 1.005 1105 T CA -0.946 61.098 62.100 -0.093 0.000 1.061 1105 T CB 0.202 69.022 68.868 -0.081 0.000 1.007 1105 T HN 0.351 nan 8.240 nan 0.000 0.502 1106 L N 2.300 123.473 121.223 -0.084 0.000 2.082 1106 L HA -0.207 4.133 4.340 0.000 0.000 0.223 1106 L C 2.283 179.099 176.870 -0.091 0.000 1.086 1106 L CA 2.249 57.040 54.840 -0.082 0.000 0.793 1106 L CB -0.907 41.110 42.059 -0.069 0.000 0.896 1106 L HN 0.806 nan 8.230 nan 0.000 0.441 1107 Q N 0.432 120.177 119.800 -0.091 0.000 1.948 1107 Q HA -0.241 4.099 4.340 0.000 0.000 0.205 1107 Q C 2.051 177.967 176.000 -0.140 0.000 0.992 1107 Q CA 2.328 58.063 55.803 -0.113 0.000 0.849 1107 Q CB -0.398 28.279 28.738 -0.101 0.000 0.918 1107 Q HN 0.645 nan 8.270 nan 0.000 0.421 1108 E N -0.159 119.965 120.200 -0.126 0.000 2.169 1108 E HA -0.241 4.109 4.350 0.000 0.000 0.202 1108 E C 2.170 178.705 176.600 -0.108 0.000 1.016 1108 E CA 1.503 57.831 56.400 -0.121 0.000 0.817 1108 E CB -0.227 29.410 29.700 -0.105 0.000 0.736 1108 E HN 0.402 nan 8.360 nan 0.000 0.462 1109 M N 0.293 119.831 119.600 -0.104 0.000 2.059 1109 M HA -0.176 4.304 4.480 0.000 0.000 0.259 1109 M C 2.400 178.642 176.300 -0.096 0.000 1.072 1109 M CA 1.214 56.456 55.300 -0.096 0.000 1.117 1109 M CB -0.380 32.160 32.600 -0.100 0.000 1.320 1109 M HN 0.107 nan 8.290 nan 0.000 0.408 1110 I N 0.515 121.021 120.570 -0.107 0.000 2.181 1110 I HA -0.333 3.837 4.170 0.000 0.000 0.247 1110 I C 2.468 178.498 176.117 -0.146 0.000 1.081 1110 I CA 1.839 63.071 61.300 -0.113 0.000 1.340 1110 I CB -1.429 36.494 38.000 -0.128 0.000 1.036 1110 I HN 0.433 nan 8.210 nan 0.000 0.417 1111 Q N 1.099 120.792 119.800 -0.178 0.000 1.975 1111 Q HA -0.186 4.154 4.340 0.000 0.000 0.205 1111 Q C 2.339 178.262 176.000 -0.128 0.000 0.990 1111 Q CA 1.958 57.636 55.803 -0.209 0.000 0.845 1111 Q CB -0.315 28.290 28.738 -0.222 0.000 0.913 1111 Q HN 0.450 nan 8.270 nan 0.000 0.420 1112 M N -0.256 119.302 119.600 -0.071 0.000 2.082 1112 M HA -0.253 4.227 4.480 0.000 0.000 0.258 1112 M C 2.217 178.522 176.300 0.009 0.000 1.069 1112 M CA 1.760 57.045 55.300 -0.026 0.000 1.102 1112 M CB -0.753 31.835 32.600 -0.020 0.000 1.336 1112 M HN 0.358 nan 8.290 nan 0.000 0.404 1113 A N 0.701 123.530 122.820 0.015 0.000 1.869 1113 A HA -0.183 4.137 4.320 0.000 0.000 0.218 1113 A C 2.432 180.176 177.584 0.268 0.000 1.203 1113 A CA 2.612 54.752 52.037 0.172 0.000 0.638 1113 A CB -1.210 17.857 19.000 0.112 0.000 0.831 1113 A HN 0.553 nan 8.150 nan 0.000 0.450 1114 A N -0.610 122.231 122.820 0.035 0.000 1.930 1114 A HA -0.136 4.184 4.320 0.000 0.000 0.217 1114 A C 1.929 179.512 177.584 -0.003 0.000 1.175 1114 A CA 1.597 53.608 52.037 -0.043 0.000 0.627 1114 A CB -0.514 18.311 19.000 -0.291 0.000 0.815 1114 A HN 0.684 nan 8.150 nan 0.000 0.443 1115 E N -0.127 120.012 120.200 -0.101 0.000 2.028 1115 E HA -0.145 4.206 4.350 0.000 0.000 0.191 1115 E C 1.935 178.438 176.600 -0.163 0.000 0.988 1115 E CA 1.279 57.471 56.400 -0.347 0.000 0.799 1115 E CB -0.363 29.124 29.700 -0.356 0.000 0.755 1115 E HN 0.681 nan 8.360 nan 0.000 0.447 1116 I N 1.667 122.254 120.570 0.030 0.000 2.163 1116 I HA -0.307 3.863 4.170 0.000 0.000 0.243 1116 I C 2.691 178.886 176.117 0.130 0.000 1.085 1116 I CA 1.108 62.492 61.300 0.140 0.000 1.347 1116 I CB -0.480 37.688 38.000 0.280 0.000 1.044 1116 I HN 0.076 nan 8.210 nan 0.000 0.408 1117 A N 0.552 123.475 122.820 0.172 0.000 1.892 1117 A HA -0.360 3.960 4.320 0.000 0.000 0.218 1117 A C 1.982 179.561 177.584 -0.009 0.000 1.188 1117 A CA 2.634 54.626 52.037 -0.074 0.000 0.631 1117 A CB -1.002 17.917 19.000 -0.135 0.000 0.822 1117 A HN 0.499 nan 8.150 nan 0.000 0.447 1118 D N -1.198 119.271 120.400 0.114 0.000 2.087 1118 D HA -0.065 4.575 4.640 0.000 0.000 0.192 1118 D C 2.076 178.458 176.300 0.137 0.000 0.993 1118 D CA 2.035 56.182 54.000 0.246 0.000 0.828 1118 D CB -0.510 40.570 40.800 0.465 0.000 0.968 1118 D HN 0.321 nan 8.370 nan 0.000 0.448 1119 G N 0.077 108.950 108.800 0.122 0.000 2.505 1119 G HA2 -0.299 3.661 3.960 0.000 0.000 0.220 1119 G HA3 -0.299 3.661 3.960 0.000 0.000 0.220 1119 G C 1.523 176.369 174.900 -0.089 0.000 1.145 1119 G CA 1.083 46.222 45.100 0.066 0.000 0.761 1119 G HN 0.196 nan 8.290 nan 0.000 0.571 1120 M N 0.959 120.395 119.600 -0.273 0.000 2.132 1120 M HA 0.109 4.589 4.480 0.000 0.000 0.263 1120 M C 3.056 179.021 176.300 -0.558 0.000 1.065 1120 M CA 1.150 56.048 55.300 -0.671 0.000 1.122 1120 M CB -1.383 30.215 32.600 -1.669 0.000 1.365 1120 M HN 0.322 nan 8.290 nan 0.000 0.411 1121 A N -0.403 122.238 122.820 -0.298 0.000 1.859 1121 A HA -0.266 4.054 4.320 0.000 0.000 0.217 1121 A C 2.170 179.584 177.584 -0.284 0.000 1.198 1121 A CA 2.026 54.052 52.037 -0.019 0.000 0.629 1121 A CB -1.488 17.624 19.000 0.187 0.000 0.830 1121 A HN 0.518 nan 8.150 nan 0.000 0.446 1122 Y N 0.081 119.974 120.300 -0.677 0.000 2.069 1122 Y HA -0.259 4.291 4.550 0.000 0.000 0.278 1122 Y C 2.104 177.702 175.900 -0.503 0.000 1.175 1122 Y CA 2.204 59.684 58.100 -1.033 0.000 1.134 1122 Y CB -0.638 37.377 38.460 -0.742 0.000 0.965 1122 Y HN 0.252 nan 8.280 nan 0.000 0.498 1123 L N 1.343 122.336 121.223 -0.383 0.000 2.013 1123 L HA -0.307 4.033 4.340 0.000 0.000 0.212 1123 L C 2.410 179.166 176.870 -0.189 0.000 1.073 1123 L CA 2.535 57.140 54.840 -0.392 0.000 0.753 1123 L CB -1.179 40.703 42.059 -0.296 0.000 0.890 1123 L HN 0.507 nan 8.230 nan 0.000 0.432 1124 N N -0.488 118.146 118.700 -0.110 0.000 2.120 1124 N HA -0.206 4.534 4.740 0.000 0.000 0.188 1124 N C 1.799 177.286 175.510 -0.039 0.000 1.024 1124 N CA 1.388 54.452 53.050 0.023 0.000 0.852 1124 N CB -0.005 38.573 38.487 0.152 0.000 1.003 1124 N HN 0.507 nan 8.380 nan 0.000 0.424 1125 A N 1.861 124.602 122.820 -0.132 0.000 1.883 1125 A HA -0.114 4.206 4.320 0.000 0.000 0.217 1125 A C 1.747 179.255 177.584 -0.126 0.000 1.186 1125 A CA 1.240 53.219 52.037 -0.098 0.000 0.624 1125 A CB -0.349 18.586 19.000 -0.109 0.000 0.822 1125 A HN 0.240 nan 8.150 nan 0.000 0.444 1126 K N 0.420 120.681 120.400 -0.232 0.000 2.743 1126 K HA 0.019 4.339 4.320 0.000 0.000 0.219 1126 K C -0.472 176.028 176.600 -0.167 0.000 1.003 1126 K CA -0.013 56.198 56.287 -0.126 0.000 1.156 1126 K CB -0.129 32.359 32.500 -0.021 0.000 0.932 1126 K HN 0.291 nan 8.250 nan 0.000 0.490 1127 K N 0.377 120.677 120.400 -0.168 0.000 4.856 1127 K HA -0.190 4.130 4.320 0.000 0.000 0.306 1127 K C -0.908 175.416 176.600 -0.461 0.000 0.895 1127 K CA 0.918 57.057 56.287 -0.246 0.000 0.963 1127 K CB -1.383 30.950 32.500 -0.279 0.000 1.737 1127 K HN 0.128 nan 8.250 nan 0.000 0.424 1128 F N -0.918 119.034 119.950 0.003 0.000 2.635 1128 F HA 0.310 4.837 4.527 0.000 0.000 0.314 1128 F C -0.312 175.519 175.800 0.051 0.000 1.119 1128 F CA -0.961 57.053 58.000 0.023 0.000 1.000 1128 F CB 1.618 40.624 39.000 0.010 0.000 1.278 1128 F HN -0.079 nan 8.300 nan 0.000 0.446 1129 V N 4.315 124.428 119.914 0.332 0.000 2.459 1129 V HA 0.316 4.436 4.120 0.000 0.000 0.295 1129 V C 0.486 176.757 176.094 0.296 0.000 1.029 1129 V CA -0.129 62.345 62.300 0.289 0.000 0.874 1129 V CB 1.261 33.244 31.823 0.266 0.000 0.985 1129 V HN 0.899 nan 8.190 nan 0.000 0.438 1130 H N 5.540 124.732 119.070 0.203 0.000 2.333 1130 H HA 0.050 4.606 4.556 0.000 0.000 0.302 1130 H C 1.817 177.229 175.328 0.139 0.000 1.075 1130 H CA 2.192 58.339 56.048 0.165 0.000 1.348 1130 H CB 0.289 30.140 29.762 0.149 0.000 1.393 1130 H HN 0.834 nan 8.280 nan 0.000 0.509 1131 R N -1.327 119.403 120.500 0.383 0.000 3.902 1131 R HA -0.209 4.131 4.340 0.000 0.000 0.445 1131 R C -0.100 176.313 176.300 0.188 0.000 0.709 1131 R CA 1.611 57.879 56.100 0.281 0.000 1.607 1131 R CB -1.487 28.773 30.300 -0.067 0.000 2.233 1131 R HN 0.335 nan 8.270 nan 0.000 0.430 1132 D N 0.234 120.652 120.400 0.030 0.000 2.804 1132 D HA 0.171 4.811 4.640 0.000 0.000 0.308 1132 D C -0.978 174.980 176.300 -0.570 0.000 1.371 1132 D CA -0.429 53.465 54.000 -0.177 0.000 0.823 1132 D CB 0.394 41.164 40.800 -0.050 0.000 1.126 1132 D HN 0.020 nan 8.370 nan 0.000 0.467 1133 L N 1.609 122.508 121.223 -0.539 0.000 2.462 1133 L HA 0.583 4.923 4.340 0.000 0.000 0.272 1133 L C -0.452 176.271 176.870 -0.245 0.000 1.166 1133 L CA 0.208 54.798 54.840 -0.416 0.000 0.880 1133 L CB 0.223 42.250 42.059 -0.052 0.000 1.142 1133 L HN 0.191 nan 8.230 nan 0.000 0.473 1134 A N 3.887 126.532 122.820 -0.291 0.000 2.590 1134 A HA 0.644 4.964 4.320 0.000 0.000 0.294 1134 A C 0.476 177.949 177.584 -0.185 0.000 1.046 1134 A CA -0.172 51.650 52.037 -0.358 0.000 0.684 1134 A CB 0.122 18.506 19.000 -1.027 0.000 1.279 1134 A HN 1.129 nan 8.150 nan 0.000 0.415 1135 A N 1.016 123.811 122.820 -0.041 0.000 1.948 1135 A HA -0.188 4.132 4.320 0.000 0.000 0.220 1135 A C 1.896 179.447 177.584 -0.056 0.000 1.177 1135 A CA 2.205 54.240 52.037 -0.004 0.000 0.636 1135 A CB -0.630 18.414 19.000 0.073 0.000 0.815 1135 A HN 1.307 nan 8.150 nan 0.000 0.449 1136 R N -1.049 119.374 120.500 -0.128 0.000 2.328 1136 R HA -0.004 4.337 4.340 0.000 0.000 0.207 1136 R C 0.457 176.665 176.300 -0.154 0.000 1.056 1136 R CA 1.520 57.539 56.100 -0.135 0.000 1.016 1136 R CB -0.323 29.860 30.300 -0.194 0.000 0.872 1136 R HN 0.368 nan 8.270 nan 0.000 0.471 1137 N N -0.346 118.248 118.700 -0.176 0.000 2.171 1137 N HA 0.114 4.854 4.740 0.000 0.000 0.212 1137 N C -0.745 174.681 175.510 -0.139 0.000 1.184 1137 N CA -0.143 52.802 53.050 -0.175 0.000 0.888 1137 N CB 0.699 39.058 38.487 -0.214 0.000 1.038 1137 N HN 0.114 nan 8.380 nan 0.000 0.517 1138 C N 1.663 120.911 119.300 -0.087 0.000 2.370 1138 C HA 0.546 5.006 4.460 0.000 0.000 0.354 1138 C C 0.282 175.258 174.990 -0.023 0.000 1.218 1138 C CA -0.702 58.288 59.018 -0.046 0.000 2.154 1138 C CB 0.596 28.331 27.740 -0.010 0.000 2.391 1138 C HN 0.187 nan 8.230 nan 0.000 0.540 1139 M N 2.421 122.012 119.600 -0.014 0.000 2.528 1139 M HA 0.484 4.964 4.480 0.000 0.000 0.321 1139 M C -0.720 175.587 176.300 0.012 0.000 1.153 1139 M CA -0.532 54.769 55.300 0.002 0.000 0.951 1139 M CB 1.509 34.105 32.600 -0.006 0.000 1.705 1139 M HN 0.333 nan 8.290 nan 0.000 0.451 1140 V N 1.974 121.894 119.914 0.011 0.000 2.357 1140 V HA 0.653 4.773 4.120 0.000 0.000 0.284 1140 V C 0.569 176.662 176.094 -0.001 0.000 1.018 1140 V CA -0.997 61.292 62.300 -0.018 0.000 0.841 1140 V CB 0.836 32.573 31.823 -0.143 0.000 0.991 1140 V HN 1.015 nan 8.190 nan 0.000 0.437 1141 A N 2.460 125.277 122.820 -0.005 0.000 2.292 1141 A HA 0.323 4.643 4.320 0.000 0.000 0.265 1141 A C 1.279 178.834 177.584 -0.049 0.000 1.133 1141 A CA 0.319 52.350 52.037 -0.010 0.000 0.807 1141 A CB -0.144 18.856 19.000 -0.001 0.000 1.102 1141 A HN 1.038 nan 8.150 nan 0.000 0.502 1142 H N -0.172 118.806 119.070 -0.153 0.000 2.352 1142 H HA -0.153 4.403 4.556 0.000 0.000 0.299 1142 H C 1.131 176.211 175.328 -0.412 0.000 1.097 1142 H CA 2.560 58.455 56.048 -0.255 0.000 1.311 1142 H CB 0.009 29.652 29.762 -0.198 0.000 1.377 1142 H HN 0.772 nan 8.280 nan 0.000 0.504 1143 D N -1.539 118.656 120.400 -0.341 0.000 2.328 1143 D HA -0.059 4.582 4.640 0.000 0.000 0.226 1143 D C 0.071 176.229 176.300 -0.238 0.000 1.066 1143 D CA 0.075 53.867 54.000 -0.347 0.000 0.861 1143 D CB -0.552 40.227 40.800 -0.035 0.000 0.912 1143 D HN 0.421 nan 8.370 nan 0.000 0.521 1144 F N -1.318 118.612 119.950 -0.034 0.000 2.628 1144 F HA -0.220 4.307 4.527 0.000 0.000 0.319 1144 F C 0.287 176.075 175.800 -0.021 0.000 0.645 1144 F CA 0.391 58.330 58.000 -0.102 0.000 1.499 1144 F CB -2.734 36.190 39.000 -0.127 0.000 1.900 1144 F HN -0.117 nan 8.300 nan 0.000 0.308 1145 T N 1.807 116.447 114.554 0.142 0.000 2.870 1145 T HA 0.496 4.846 4.350 0.000 0.000 0.300 1145 T C 0.542 175.297 174.700 0.092 0.000 0.989 1145 T CA -0.187 62.006 62.100 0.155 0.000 1.139 1145 T CB 1.349 70.316 68.868 0.165 0.000 0.920 1145 T HN 0.031 nan 8.240 nan 0.000 0.537 1146 V N 5.061 125.023 119.914 0.079 0.000 2.539 1146 V HA 0.504 4.625 4.120 0.000 0.000 0.292 1146 V C 0.222 176.345 176.094 0.048 0.000 1.045 1146 V CA -0.424 61.905 62.300 0.048 0.000 0.945 1146 V CB 1.462 33.309 31.823 0.039 0.000 0.993 1146 V HN 0.790 nan 8.190 nan 0.000 0.464 1147 K N 3.519 123.943 120.400 0.039 0.000 2.509 1147 K HA 0.608 4.928 4.320 0.000 0.000 0.266 1147 K C -1.493 175.121 176.600 0.023 0.000 0.987 1147 K CA -0.999 55.318 56.287 0.051 0.000 0.868 1147 K CB 2.174 34.696 32.500 0.037 0.000 1.421 1147 K HN 0.308 nan 8.250 nan 0.000 0.444 1148 I N 1.341 121.933 120.570 0.036 0.000 2.474 1148 I HA 0.185 4.355 4.170 0.000 0.000 0.287 1148 I C 1.025 177.054 176.117 -0.147 0.000 1.048 1148 I CA 0.367 61.646 61.300 -0.034 0.000 1.383 1148 I CB 0.696 38.731 38.000 0.059 0.000 1.412 1148 I HN 1.034 nan 8.210 nan 0.000 0.531 1149 G N 4.305 112.904 108.800 -0.334 0.000 3.581 1149 G HA2 0.073 4.033 3.960 0.000 0.000 0.248 1149 G HA3 0.073 4.033 3.960 0.000 0.000 0.248 1149 G C -0.164 174.442 174.900 -0.489 0.000 1.037 1149 G CA -0.048 44.856 45.100 -0.327 0.000 0.902 1149 G HN 0.570 nan 8.290 nan 0.000 0.512 1150 D N -0.843 119.140 120.400 -0.696 0.000 2.498 1150 D HA 0.628 5.268 4.640 0.000 0.000 0.247 1150 D C -0.551 175.289 176.300 -0.767 0.000 1.070 1150 D CA -0.685 53.026 54.000 -0.482 0.000 0.842 1150 D CB 1.502 42.162 40.800 -0.234 0.000 1.361 1150 D HN -0.073 nan 8.370 nan 0.000 0.484 1151 F N 1.315 121.233 119.950 -0.053 0.000 2.859 1151 F HA 0.310 4.838 4.527 0.000 0.000 0.324 1151 F C 1.853 177.598 175.800 -0.091 0.000 1.158 1151 F CA -0.606 57.305 58.000 -0.148 0.000 1.147 1151 F CB 0.793 39.675 39.000 -0.197 0.000 1.137 1151 F HN 0.543 nan 8.300 nan 0.000 0.516 1152 G N 0.577 109.428 108.800 0.085 0.000 2.475 1152 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 1152 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 1152 G C 1.432 176.368 174.900 0.060 0.000 1.125 1152 G CA 0.877 46.019 45.100 0.069 0.000 0.755 1152 G HN 0.288 nan 8.290 nan 0.000 0.565 1153 M N 0.718 120.364 119.600 0.077 0.000 2.428 1153 M HA 0.110 4.590 4.480 0.000 0.000 0.239 1153 M C 0.510 176.850 176.300 0.066 0.000 1.121 1153 M CA 0.089 55.421 55.300 0.053 0.000 1.019 1153 M CB 0.194 32.819 32.600 0.041 0.000 1.485 1153 M HN -0.096 nan 8.290 nan 0.000 0.484 1154 T N 2.648 117.252 114.554 0.084 0.000 2.937 1154 T HA 0.149 4.500 4.350 0.000 0.000 0.316 1154 T C 0.454 175.192 174.700 0.064 0.000 1.079 1154 T CA 0.340 62.469 62.100 0.049 0.000 1.131 1154 T CB 0.573 69.384 68.868 -0.095 0.000 1.000 1154 T HN 0.200 nan 8.240 nan 0.000 0.549 1155 R N 1.700 122.292 120.500 0.155 0.000 2.795 1155 R HA 0.332 4.672 4.340 0.000 0.000 0.275 1155 R C -0.626 175.918 176.300 0.407 0.000 0.981 1155 R CA -0.865 55.359 56.100 0.207 0.000 0.917 1155 R CB 1.520 31.887 30.300 0.111 0.000 1.202 1155 R HN 0.699 nan 8.270 nan 0.000 0.469 1156 D N 2.485 123.076 120.400 0.318 0.000 2.345 1156 D HA 0.328 4.968 4.640 0.000 0.000 0.247 1156 D C 0.013 176.317 176.300 0.007 0.000 1.108 1156 D CA -0.041 54.024 54.000 0.108 0.000 0.894 1156 D CB 0.824 41.642 40.800 0.030 0.000 1.203 1156 D HN 0.446 nan 8.370 nan 0.000 0.430 1160 T N -0.381 114.168 114.554 -0.008 0.000 3.023 1160 T HA 0.324 4.674 4.350 0.000 0.000 0.253 1160 T C 0.014 174.721 174.700 0.012 0.000 1.038 1160 T CA 0.598 62.700 62.100 0.004 0.000 0.962 1160 T CB 0.894 69.770 68.868 0.013 0.000 1.018 1160 T HN 0.034 nan 8.240 nan 0.000 0.521 1165 K N 3.022 123.525 120.400 0.170 0.000 2.436 1165 K HA 0.192 4.513 4.320 0.000 0.000 0.282 1165 K C 0.852 177.500 176.600 0.081 0.000 1.044 1165 K CA 1.077 57.432 56.287 0.112 0.000 1.028 1165 K CB 0.812 33.408 32.500 0.160 0.000 0.919 1165 K HN 0.655 nan 8.250 nan 0.000 0.474 1166 G N 3.086 111.919 108.800 0.055 0.000 2.575 1166 G HA2 -0.048 3.912 3.960 0.000 0.000 0.215 1166 G HA3 -0.048 3.912 3.960 0.000 0.000 0.215 1166 G C 0.688 175.612 174.900 0.041 0.000 1.262 1166 G CA 0.767 45.893 45.100 0.043 0.000 0.807 1166 G HN 0.736 nan 8.290 nan 0.000 0.567 1167 G N -0.619 108.203 108.800 0.037 0.000 3.414 1167 G HA2 0.468 4.428 3.960 0.000 0.000 0.196 1167 G HA3 0.468 4.428 3.960 0.000 0.000 0.196 1167 G C -0.307 174.616 174.900 0.037 0.000 1.486 1167 G CA -0.513 44.608 45.100 0.034 0.000 0.811 1167 G HN 0.350 nan 8.290 nan 0.000 0.704 1168 K N -0.004 120.415 120.400 0.032 0.000 2.202 1168 K HA 0.560 4.880 4.320 0.000 0.000 0.264 1168 K C -0.017 176.604 176.600 0.035 0.000 1.010 1168 K CA 0.445 56.752 56.287 0.033 0.000 0.940 1168 K CB 1.182 33.699 32.500 0.028 0.000 0.983 1168 K HN 0.730 nan 8.250 nan 0.000 0.475 1169 G N 0.631 109.454 108.800 0.039 0.000 2.349 1169 G HA2 0.294 4.254 3.960 0.000 0.000 0.294 1169 G HA3 0.294 4.254 3.960 0.000 0.000 0.294 1169 G C -1.817 173.109 174.900 0.043 0.000 1.380 1169 G CA -1.020 44.102 45.100 0.036 0.000 0.811 1169 G HN 0.362 nan 8.290 nan 0.000 0.519 1170 L N 0.661 121.908 121.223 0.040 0.000 2.287 1170 L HA 0.705 5.045 4.340 0.000 0.000 0.287 1170 L C -0.387 176.518 176.870 0.058 0.000 1.022 1170 L CA -0.636 54.233 54.840 0.048 0.000 0.814 1170 L CB 1.220 43.302 42.059 0.038 0.000 1.217 1170 L HN 0.303 nan 8.230 nan 0.000 0.420 1171 L N 4.036 125.313 121.223 0.091 0.000 2.371 1171 L HA 0.509 4.850 4.340 0.000 0.000 0.262 1171 L C -2.071 174.902 176.870 0.171 0.000 1.006 1171 L CA -1.689 53.229 54.840 0.130 0.000 0.818 1171 L CB 2.391 44.567 42.059 0.196 0.000 1.354 1171 L HN 0.406 nan 8.230 nan 0.000 0.415 1172 P HA 0.036 nan 4.420 nan 0.000 0.232 1172 P C 1.127 178.660 177.300 0.389 0.000 1.738 1172 P CA -0.091 63.194 63.100 0.308 0.000 0.948 1172 P CB 0.264 32.119 31.700 0.258 0.000 1.943 1173 V N 2.233 122.307 119.914 0.266 0.000 2.277 1173 V HA -0.317 3.803 4.120 0.000 0.000 0.255 1173 V C 2.490 178.697 176.094 0.187 0.000 1.074 1173 V CA 2.172 64.582 62.300 0.183 0.000 1.058 1173 V CB -0.960 30.922 31.823 0.097 0.000 0.656 1173 V HN 0.366 nan 8.190 nan 0.000 0.449 1174 R N -1.649 118.985 120.500 0.223 0.000 2.328 1174 R HA -0.112 4.229 4.340 0.000 0.000 0.207 1174 R C 1.738 178.041 176.300 0.005 0.000 1.056 1174 R CA 1.159 57.297 56.100 0.065 0.000 1.016 1174 R CB -0.117 30.084 30.300 -0.165 0.000 0.872 1174 R HN 0.619 nan 8.270 nan 0.000 0.471 1175 W N -0.760 120.710 121.300 0.283 0.000 2.871 1175 W HA 0.292 4.952 4.660 0.000 0.000 0.340 1175 W C 0.001 176.777 176.519 0.428 0.000 1.058 1175 W CA -0.488 57.061 57.345 0.341 0.000 1.633 1175 W CB 0.303 29.908 29.460 0.242 0.000 1.067 1175 W HN 0.019 nan 8.180 nan 0.000 0.554 1176 M N 0.728 120.602 119.600 0.456 0.000 2.240 1176 M HA 0.328 4.808 4.480 0.000 0.000 0.333 1176 M C 0.637 176.821 176.300 -0.193 0.000 1.110 1176 M CA 0.109 55.524 55.300 0.191 0.000 1.173 1176 M CB 0.835 33.491 32.600 0.094 0.000 1.458 1176 M HN -0.258 nan 8.290 nan 0.000 0.458 1177 A N 3.166 125.611 122.820 -0.626 0.000 2.286 1177 A HA 0.460 4.780 4.320 0.000 0.000 0.286 1177 A C -1.950 175.098 177.584 -0.894 0.000 1.097 1177 A CA -1.573 49.608 52.037 -1.427 0.000 0.821 1177 A CB -0.143 18.248 19.000 -1.016 0.000 1.076 1177 A HN 0.597 nan 8.150 nan 0.000 0.490 1178 P HA -0.281 nan 4.420 nan 0.000 0.217 1178 P C 1.328 178.394 177.300 -0.389 0.000 1.162 1178 P CA 2.068 64.879 63.100 -0.482 0.000 0.901 1178 P CB 0.021 31.520 31.700 -0.335 0.000 0.793 1179 E N -0.287 119.652 120.200 -0.435 0.000 2.085 1179 E HA -0.158 4.192 4.350 0.000 0.000 0.194 1179 E C 1.851 178.247 176.600 -0.339 0.000 0.994 1179 E CA 1.757 57.954 56.400 -0.338 0.000 0.801 1179 E CB -1.470 28.041 29.700 -0.316 0.000 0.743 1179 E HN 0.198 nan 8.360 nan 0.000 0.453 1180 S N 1.423 116.839 115.700 -0.473 0.000 2.382 1180 S HA -0.032 4.438 4.470 0.000 0.000 0.228 1180 S C 2.187 176.554 174.600 -0.387 0.000 1.027 1180 S CA 0.927 58.736 58.200 -0.652 0.000 0.991 1180 S CB -0.307 62.247 63.200 -1.076 0.000 0.823 1180 S HN 0.175 nan 8.310 nan 0.000 0.469 1181 L N 1.298 122.337 121.223 -0.307 0.000 2.027 1181 L HA -0.112 4.228 4.340 0.000 0.000 0.206 1181 L C 2.653 179.448 176.870 -0.125 0.000 1.074 1181 L CA 1.351 56.087 54.840 -0.174 0.000 0.745 1181 L CB -0.358 41.593 42.059 -0.180 0.000 0.898 1181 L HN 0.280 nan 8.230 nan 0.000 0.433 1182 K N -0.430 119.882 120.400 -0.147 0.000 2.031 1182 K HA -0.148 4.172 4.320 0.000 0.000 0.205 1182 K C 0.766 177.320 176.600 -0.077 0.000 1.049 1182 K CA 1.639 57.866 56.287 -0.100 0.000 0.939 1182 K CB 0.190 32.627 32.500 -0.105 0.000 0.717 1182 K HN 0.303 nan 8.250 nan 0.000 0.438 1183 D N -1.377 118.963 120.400 -0.098 0.000 2.500 1183 D HA 0.110 4.750 4.640 0.000 0.000 0.217 1183 D C 0.383 176.666 176.300 -0.028 0.000 1.159 1183 D CA 0.572 54.537 54.000 -0.059 0.000 0.828 1183 D CB 1.123 41.883 40.800 -0.067 0.000 1.039 1183 D HN 0.461 nan 8.370 nan 0.000 0.512 1184 G N 1.496 110.271 108.800 -0.042 0.000 2.225 1184 G HA2 -0.276 3.684 3.960 0.000 0.000 0.267 1184 G HA3 -0.276 3.684 3.960 0.000 0.000 0.267 1184 G C 0.270 175.259 174.900 0.149 0.000 1.024 1184 G CA 0.214 45.368 45.100 0.090 0.000 0.784 1184 G HN 0.282 nan 8.290 nan 0.000 0.507 1185 V N 0.530 120.401 119.914 -0.071 0.000 2.370 1185 V HA 0.679 4.799 4.120 0.000 0.000 0.279 1185 V C -0.185 175.809 176.094 -0.166 0.000 1.029 1185 V CA -0.652 61.652 62.300 0.007 0.000 0.870 1185 V CB 1.106 32.907 31.823 -0.037 0.000 0.984 1185 V HN 0.216 nan 8.190 nan 0.000 0.451 1186 F N 3.476 123.444 119.950 0.031 0.000 2.426 1186 F HA 0.654 5.181 4.527 0.000 0.000 0.348 1186 F C 0.661 176.503 175.800 0.071 0.000 1.124 1186 F CA -0.491 57.544 58.000 0.058 0.000 1.008 1186 F CB 1.933 40.987 39.000 0.090 0.000 1.139 1186 F HN 0.567 nan 8.300 nan 0.000 0.452 1187 T N -2.055 112.604 114.554 0.174 0.000 2.858 1187 T HA 0.247 4.597 4.350 0.000 0.000 0.285 1187 T C 0.901 175.713 174.700 0.186 0.000 1.052 1187 T CA -0.299 61.888 62.100 0.146 0.000 1.009 1187 T CB 1.555 70.461 68.868 0.063 0.000 1.241 1187 T HN 0.434 nan 8.240 nan 0.000 0.542 1188 T N 0.170 114.824 114.554 0.166 0.000 2.833 1188 T HA -0.061 4.289 4.350 0.000 0.000 0.269 1188 T C 1.981 176.756 174.700 0.126 0.000 1.054 1188 T CA 2.064 64.294 62.100 0.218 0.000 1.135 1188 T CB -1.014 67.965 68.868 0.185 0.000 0.869 1188 T HN 0.621 nan 8.240 nan 0.000 0.466 1189 S N 1.192 116.925 115.700 0.055 0.000 2.382 1189 S HA -0.123 4.347 4.470 0.000 0.000 0.228 1189 S C 2.409 177.081 174.600 0.121 0.000 1.027 1189 S CA 1.485 59.699 58.200 0.023 0.000 0.991 1189 S CB -0.503 62.699 63.200 0.003 0.000 0.823 1189 S HN 0.814 nan 8.310 nan 0.000 0.469 1190 S N 2.233 118.006 115.700 0.121 0.000 2.368 1190 S HA -0.169 4.301 4.470 0.000 0.000 0.224 1190 S C 1.397 176.202 174.600 0.342 0.000 1.029 1190 S CA 1.358 59.643 58.200 0.142 0.000 0.988 1190 S CB -0.573 62.624 63.200 -0.004 0.000 0.838 1190 S HN 0.307 nan 8.310 nan 0.000 0.462 1191 D N 1.256 121.879 120.400 0.372 0.000 2.117 1191 D HA -0.058 4.582 4.640 0.000 0.000 0.197 1191 D C 1.857 178.505 176.300 0.579 0.000 0.987 1191 D CA 1.353 55.661 54.000 0.515 0.000 0.829 1191 D CB -0.505 40.663 40.800 0.613 0.000 0.961 1191 D HN 0.432 nan 8.370 nan 0.000 0.460 1192 M N 0.116 119.894 119.600 0.298 0.000 2.202 1192 M HA -0.133 4.347 4.480 0.000 0.000 0.262 1192 M C 1.766 178.260 176.300 0.323 0.000 1.063 1192 M CA 1.273 56.593 55.300 0.033 0.000 1.097 1192 M CB -0.650 31.758 32.600 -0.321 0.000 1.382 1192 M HN 0.315 nan 8.290 nan 0.000 0.413 1193 W N 0.267 121.691 121.300 0.206 0.000 2.379 1193 W HA -0.124 4.537 4.660 0.000 0.000 0.307 1193 W C 1.851 178.628 176.519 0.430 0.000 1.200 1193 W CA 1.766 59.295 57.345 0.308 0.000 1.297 1193 W CB -1.072 28.554 29.460 0.276 0.000 1.140 1193 W HN 0.277 nan 8.180 nan 0.000 0.507 1194 S N 1.356 117.494 115.700 0.730 0.000 2.353 1194 S HA -0.257 4.213 4.470 0.000 0.000 0.222 1194 S C 1.585 176.463 174.600 0.463 0.000 1.035 1194 S CA 1.785 60.362 58.200 0.629 0.000 1.025 1194 S CB -1.308 62.228 63.200 0.559 0.000 0.902 1194 S HN 0.343 nan 8.310 nan 0.000 0.440 1195 F N 2.576 122.725 119.950 0.331 0.000 2.063 1195 F HA -0.257 4.270 4.527 0.000 0.000 0.297 1195 F C 2.314 178.186 175.800 0.120 0.000 1.099 1195 F CA 1.689 59.840 58.000 0.253 0.000 1.220 1195 F CB -1.143 38.056 39.000 0.332 0.000 0.972 1195 F HN 0.231 nan 8.300 nan 0.000 0.487 1196 G N -0.204 108.617 108.800 0.034 0.000 2.476 1196 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 1196 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 1196 G C 1.778 176.613 174.900 -0.108 0.000 1.164 1196 G CA 1.447 46.323 45.100 -0.374 0.000 0.768 1196 G HN 0.398 nan 8.290 nan 0.000 0.560 1197 V N 0.575 120.654 119.914 0.276 0.000 2.332 1197 V HA -0.205 3.916 4.120 0.000 0.000 0.248 1197 V C 3.071 179.373 176.094 0.348 0.000 1.055 1197 V CA 1.640 64.188 62.300 0.414 0.000 1.038 1197 V CB -0.534 31.465 31.823 0.294 0.000 0.651 1197 V HN 0.263 nan 8.190 nan 0.000 0.450 1198 V N -0.180 119.869 119.914 0.225 0.000 2.469 1198 V HA -0.276 3.844 4.120 0.000 0.000 0.251 1198 V C 2.273 178.354 176.094 -0.022 0.000 1.064 1198 V CA 1.901 64.275 62.300 0.124 0.000 1.066 1198 V CB -0.611 31.196 31.823 -0.026 0.000 0.667 1198 V HN 0.464 nan 8.190 nan 0.000 0.461 1199 L N -1.646 119.472 121.223 -0.174 0.000 2.056 1199 L HA -0.197 4.144 4.340 0.000 0.000 0.207 1199 L C 2.329 179.179 176.870 -0.034 0.000 1.078 1199 L CA 2.160 56.881 54.840 -0.200 0.000 0.749 1199 L CB -0.592 41.282 42.059 -0.308 0.000 0.901 1199 L HN 0.521 nan 8.230 nan 0.000 0.433 1200 W N 1.518 122.775 121.300 -0.071 0.000 2.363 1200 W HA -0.183 4.477 4.660 0.000 0.000 0.296 1200 W C 2.417 178.928 176.519 -0.014 0.000 1.212 1200 W CA 1.525 58.878 57.345 0.014 0.000 1.260 1200 W CB 0.021 29.580 29.460 0.165 0.000 1.131 1200 W HN 0.094 nan 8.180 nan 0.000 0.530 1201 E N 0.138 120.443 120.200 0.175 0.000 2.051 1201 E HA -0.254 4.096 4.350 0.000 0.000 0.192 1201 E C 2.113 178.608 176.600 -0.175 0.000 0.991 1201 E CA 1.919 58.328 56.400 0.015 0.000 0.799 1201 E CB -0.539 29.303 29.700 0.236 0.000 0.748 1201 E HN 0.393 nan 8.360 nan 0.000 0.449 1202 I N 1.254 121.750 120.570 -0.124 0.000 2.113 1202 I HA -0.248 3.922 4.170 0.000 0.000 0.238 1202 I C 2.744 178.730 176.117 -0.218 0.000 1.070 1202 I CA 1.695 62.907 61.300 -0.146 0.000 1.332 1202 I CB -0.663 37.264 38.000 -0.120 0.000 1.044 1202 I HN 0.180 nan 8.210 nan 0.000 0.402 1203 T N -2.524 111.882 114.554 -0.248 0.000 3.139 1203 T HA -0.083 4.267 4.350 0.000 0.000 0.267 1203 T C 1.310 175.786 174.700 -0.373 0.000 1.164 1203 T CA 1.064 63.003 62.100 -0.268 0.000 1.075 1203 T CB -0.364 68.369 68.868 -0.225 0.000 0.904 1203 T HN 0.443 nan 8.240 nan 0.000 0.540 1204 S N 0.270 115.667 115.700 -0.505 0.000 2.900 1204 S HA 0.363 4.833 4.470 0.000 0.000 0.253 1204 S C 0.509 174.870 174.600 -0.398 0.000 1.029 1204 S CA -0.614 57.245 58.200 -0.568 0.000 1.096 1204 S CB -0.632 61.907 63.200 -1.103 0.000 1.067 1204 S HN 0.479 nan 8.310 nan 0.000 0.610 1205 L N 1.120 122.166 121.223 -0.295 0.000 3.677 1205 L HA -0.244 4.096 4.340 0.000 0.000 0.464 1205 L C 0.700 177.472 176.870 -0.163 0.000 1.278 1205 L CA 0.130 54.844 54.840 -0.209 0.000 0.806 1205 L CB -2.473 39.474 42.059 -0.186 0.000 1.610 1205 L HN 0.929 nan 8.230 nan 0.000 0.867 1206 A N -0.376 122.358 122.820 -0.144 0.000 2.303 1206 A HA -0.178 4.143 4.320 0.000 0.000 0.286 1206 A C 0.775 178.355 177.584 -0.006 0.000 1.429 1206 A CA 1.532 53.554 52.037 -0.024 0.000 0.738 1206 A CB -0.729 18.288 19.000 0.029 0.000 1.149 1206 A HN 0.615 nan 8.150 nan 0.000 0.364 1207 E N -0.346 119.815 120.200 -0.064 0.000 2.314 1207 E HA 0.347 4.697 4.350 0.000 0.000 0.262 1207 E C 0.411 177.153 176.600 0.238 0.000 1.093 1207 E CA -0.733 55.694 56.400 0.044 0.000 0.908 1207 E CB 0.599 30.299 29.700 -0.001 0.000 1.091 1207 E HN 0.619 nan 8.360 nan 0.000 0.425 1208 Q N 2.083 121.995 119.800 0.187 0.000 2.323 1208 Q HA 0.171 4.511 4.340 0.000 0.000 0.257 1208 Q C -2.490 173.540 176.000 0.050 0.000 1.022 1208 Q CA -1.664 54.222 55.803 0.139 0.000 0.919 1208 Q CB 0.641 29.436 28.738 0.095 0.000 1.220 1208 Q HN 0.008 nan 8.270 nan 0.000 0.427 1209 P HA -0.153 nan 4.420 nan 0.000 0.266 1209 P C -1.078 175.960 177.300 -0.436 0.000 1.180 1209 P CA 0.493 63.171 63.100 -0.704 0.000 0.765 1209 P CB 0.114 31.211 31.700 -1.005 0.000 0.806 1210 Y N -1.190 118.847 120.300 -0.439 0.000 2.981 1210 Y HA -0.268 4.283 4.550 0.000 0.000 0.204 1210 Y C 0.968 176.751 175.900 -0.197 0.000 1.265 1210 Y CA 0.458 58.375 58.100 -0.305 0.000 0.941 1210 Y CB -2.378 35.926 38.460 -0.260 0.000 1.254 1210 Y HN 0.427 nan 8.280 nan 0.000 0.469 1211 Q N 1.123 120.892 119.800 -0.052 0.000 2.332 1211 Q HA 0.409 4.749 4.340 0.000 0.000 0.263 1211 Q C 1.368 177.347 176.000 -0.036 0.000 0.979 1211 Q CA 0.769 56.565 55.803 -0.013 0.000 0.885 1211 Q CB 0.992 29.743 28.738 0.022 0.000 1.218 1211 Q HN 0.881 nan 8.270 nan 0.000 0.405 1212 G N 3.034 111.815 108.800 -0.032 0.000 2.195 1212 G HA2 -0.227 3.734 3.960 0.000 0.000 0.246 1212 G HA3 -0.227 3.734 3.960 0.000 0.000 0.246 1212 G C -0.237 174.618 174.900 -0.074 0.000 0.984 1212 G CA 0.059 45.127 45.100 -0.052 0.000 0.633 1212 G HN 0.535 nan 8.290 nan 0.000 0.525 1213 L N 1.611 122.791 121.223 -0.072 0.000 2.322 1213 L HA 0.659 4.999 4.340 0.000 0.000 0.281 1213 L C 0.924 177.761 176.870 -0.056 0.000 1.014 1213 L CA -0.589 54.194 54.840 -0.094 0.000 0.815 1213 L CB 1.880 43.855 42.059 -0.141 0.000 1.247 1213 L HN 0.231 nan 8.230 nan 0.000 0.421 1214 S N 2.114 117.782 115.700 -0.054 0.000 2.576 1214 S HA 0.065 4.535 4.470 0.000 0.000 0.276 1214 S C 1.209 175.789 174.600 -0.033 0.000 1.339 1214 S CA -0.504 57.676 58.200 -0.033 0.000 1.039 1214 S CB 0.639 63.821 63.200 -0.030 0.000 0.902 1214 S HN 0.667 nan 8.310 nan 0.000 0.516 1215 N N 2.582 121.274 118.700 -0.014 0.000 2.060 1215 N HA -0.188 4.552 4.740 0.000 0.000 0.195 1215 N C 1.555 177.049 175.510 -0.026 0.000 1.028 1215 N CA 1.867 54.910 53.050 -0.011 0.000 0.861 1215 N CB -0.734 37.760 38.487 0.012 0.000 1.029 1215 N HN 0.833 nan 8.380 nan 0.000 0.428 1216 E N 1.507 121.694 120.200 -0.021 0.000 2.038 1216 E HA -0.169 4.181 4.350 0.000 0.000 0.195 1216 E C 1.839 178.418 176.600 -0.034 0.000 1.000 1216 E CA 1.532 57.918 56.400 -0.023 0.000 0.803 1216 E CB -0.304 29.385 29.700 -0.018 0.000 0.750 1216 E HN 0.423 nan 8.360 nan 0.000 0.448 1217 Q N -0.226 119.549 119.800 -0.041 0.000 2.135 1217 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 1217 Q C 2.355 178.325 176.000 -0.050 0.000 0.981 1217 Q CA 1.511 57.286 55.803 -0.047 0.000 0.856 1217 Q CB -0.344 28.351 28.738 -0.072 0.000 0.902 1217 Q HN 0.281 nan 8.270 nan 0.000 0.425 1218 V N 1.241 121.099 119.914 -0.094 0.000 2.343 1218 V HA -0.236 3.884 4.120 0.000 0.000 0.247 1218 V C 2.114 178.111 176.094 -0.161 0.000 1.051 1218 V CA 1.351 63.542 62.300 -0.182 0.000 1.036 1218 V CB -0.357 31.305 31.823 -0.267 0.000 0.654 1218 V HN 0.374 nan 8.190 nan 0.000 0.451 1219 L N 0.085 121.244 121.223 -0.108 0.000 1.943 1219 L HA -0.212 4.128 4.340 0.000 0.000 0.215 1219 L C 2.698 179.521 176.870 -0.079 0.000 1.074 1219 L CA 2.502 57.286 54.840 -0.094 0.000 0.759 1219 L CB -0.731 41.294 42.059 -0.057 0.000 0.888 1219 L HN 0.221 nan 8.230 nan 0.000 0.433 1220 K N -0.311 120.064 120.400 -0.042 0.000 2.059 1220 K HA -0.307 4.013 4.320 0.000 0.000 0.212 1220 K C 2.168 178.757 176.600 -0.017 0.000 1.050 1220 K CA 2.471 58.742 56.287 -0.026 0.000 0.927 1220 K CB -0.780 31.716 32.500 -0.006 0.000 0.714 1220 K HN 0.399 nan 8.250 nan 0.000 0.447 1221 F N 1.123 120.981 119.950 -0.154 0.000 2.126 1221 F HA -0.189 4.339 4.527 0.000 0.000 0.299 1221 F C 2.084 177.783 175.800 -0.167 0.000 1.096 1221 F CA 1.252 59.151 58.000 -0.168 0.000 1.255 1221 F CB -0.269 38.609 39.000 -0.204 0.000 0.997 1221 F HN -0.178 nan 8.300 nan 0.000 0.479 1222 V N 0.081 119.806 119.914 -0.316 0.000 2.649 1222 V HA -0.229 3.891 4.120 0.000 0.000 0.248 1222 V C 2.374 178.357 176.094 -0.185 0.000 1.054 1222 V CA 1.580 63.683 62.300 -0.327 0.000 1.073 1222 V CB -0.395 31.279 31.823 -0.250 0.000 0.699 1222 V HN 0.335 nan 8.190 nan 0.000 0.463 1223 M N -0.333 119.184 119.600 -0.138 0.000 2.296 1223 M HA -0.129 4.351 4.480 0.000 0.000 0.265 1223 M C 1.468 177.740 176.300 -0.047 0.000 1.064 1223 M CA 1.365 56.642 55.300 -0.039 0.000 1.109 1223 M CB -0.389 32.181 32.600 -0.050 0.000 1.396 1223 M HN 0.291 nan 8.290 nan 0.000 0.430 1224 D N -0.282 120.011 120.400 -0.178 0.000 2.347 1224 D HA 0.077 4.717 4.640 0.000 0.000 0.213 1224 D C 1.173 177.206 176.300 -0.445 0.000 0.985 1224 D CA 0.960 54.809 54.000 -0.252 0.000 0.879 1224 D CB 0.260 40.942 40.800 -0.196 0.000 0.919 1224 D HN 0.512 nan 8.370 nan 0.000 0.526 1225 G N -0.556 107.952 108.800 -0.487 0.000 2.145 1225 G HA2 -0.059 3.901 3.960 0.000 0.000 0.145 1225 G HA3 -0.059 3.901 3.960 0.000 0.000 0.145 1225 G C 0.570 175.248 174.900 -0.369 0.000 1.017 1225 G CA -0.264 44.516 45.100 -0.533 0.000 0.682 1225 G HN 0.522 nan 8.290 nan 0.000 0.504 1226 G N -0.363 108.037 108.800 -0.666 0.000 2.476 1226 G HA2 0.851 4.811 3.960 0.000 0.000 0.286 1226 G HA3 0.851 4.811 3.960 0.000 0.000 0.286 1226 G C -0.443 174.166 174.900 -0.484 0.000 1.177 1226 G CA -0.221 44.159 45.100 -1.200 0.000 0.870 1226 G HN 1.503 nan 8.290 nan 0.000 0.528 1227 Y N -1.238 118.879 120.300 -0.306 0.000 2.609 1227 Y HA 0.650 5.200 4.550 0.000 0.000 0.336 1227 Y C -0.933 174.821 175.900 -0.242 0.000 1.129 1227 Y CA -1.832 56.075 58.100 -0.320 0.000 1.040 1227 Y CB 0.555 38.771 38.460 -0.406 0.000 1.310 1227 Y HN 0.459 nan 8.280 nan 0.000 0.460 1228 L N 2.654 123.529 121.223 -0.581 0.000 2.476 1228 L HA 0.254 4.594 4.340 0.000 0.000 0.264 1228 L C -0.025 176.757 176.870 -0.146 0.000 1.224 1228 L CA 0.112 54.568 54.840 -0.639 0.000 0.821 1228 L CB 0.114 41.264 42.059 -1.514 0.000 1.101 1228 L HN 0.579 nan 8.230 nan 0.000 0.488 1229 D N 0.143 120.537 120.400 -0.011 0.000 2.229 1229 D HA 0.194 4.834 4.640 0.000 0.000 0.249 1229 D C -0.300 176.226 176.300 0.377 0.000 1.027 1229 D CA -0.584 53.530 54.000 0.190 0.000 0.923 1229 D CB 0.752 41.616 40.800 0.107 0.000 1.174 1229 D HN 0.318 nan 8.370 nan 0.000 0.443 1230 Q N 1.013 121.002 119.800 0.316 0.000 2.337 1230 Q HA 0.240 4.580 4.340 0.000 0.000 0.270 1230 Q C -2.072 174.030 176.000 0.170 0.000 1.002 1230 Q CA -1.199 54.766 55.803 0.270 0.000 0.888 1230 Q CB -0.306 28.532 28.738 0.166 0.000 1.222 1230 Q HN 0.125 nan 8.270 nan 0.000 0.400 1231 P HA 0.060 nan 4.420 nan 0.000 0.274 1231 P C -0.691 176.587 177.300 -0.037 0.000 1.246 1231 P CA -0.406 62.666 63.100 -0.046 0.000 0.795 1231 P CB 0.587 32.139 31.700 -0.246 0.000 1.006 1232 D N 1.097 121.469 120.400 -0.045 0.000 2.472 1232 D HA -0.031 4.609 4.640 0.000 0.000 0.237 1232 D C 0.416 176.684 176.300 -0.054 0.000 1.141 1232 D CA 0.647 54.624 54.000 -0.038 0.000 0.875 1232 D CB -0.409 40.367 40.800 -0.039 0.000 1.192 1232 D HN 0.444 nan 8.370 nan 0.000 0.450 1233 N N -0.908 117.768 118.700 -0.040 0.000 2.741 1233 N HA -0.213 4.528 4.740 0.000 0.000 0.250 1233 N C -0.311 175.166 175.510 -0.055 0.000 1.115 1233 N CA -0.001 53.021 53.050 -0.046 0.000 0.724 1233 N CB -1.536 36.918 38.487 -0.055 0.000 1.090 1233 N HN 0.377 nan 8.380 nan 0.000 0.558 1234 C N 1.706 120.977 119.300 -0.048 0.000 2.555 1234 C HA 0.243 4.704 4.460 0.000 0.000 0.385 1234 C C -1.634 173.330 174.990 -0.044 0.000 1.296 1234 C CA -1.698 57.288 59.018 -0.054 0.000 1.757 1234 C CB -0.435 27.284 27.740 -0.035 0.000 2.445 1234 C HN 0.200 nan 8.230 nan 0.000 0.571 1235 P HA -0.013 nan 4.420 nan 0.000 0.256 1235 P C 0.794 178.068 177.300 -0.042 0.000 1.173 1235 P CA 0.741 63.811 63.100 -0.051 0.000 0.768 1235 P CB 0.308 31.971 31.700 -0.063 0.000 0.758 1236 E N 4.102 124.283 120.200 -0.032 0.000 2.108 1236 E HA -0.339 4.012 4.350 0.000 0.000 0.203 1236 E C 1.836 178.415 176.600 -0.035 0.000 1.022 1236 E CA 1.366 57.751 56.400 -0.025 0.000 0.823 1236 E CB -0.004 29.684 29.700 -0.020 0.000 0.744 1236 E HN 0.287 nan 8.360 nan 0.000 0.456 1237 R N -0.223 120.253 120.500 -0.041 0.000 2.120 1237 R HA -0.126 4.215 4.340 0.000 0.000 0.234 1237 R C 2.142 178.406 176.300 -0.059 0.000 1.123 1237 R CA 1.368 57.440 56.100 -0.047 0.000 0.975 1237 R CB 0.082 30.354 30.300 -0.046 0.000 0.866 1237 R HN 0.135 nan 8.270 nan 0.000 0.446 1238 V N -0.401 119.473 119.914 -0.067 0.000 2.649 1238 V HA -0.113 4.007 4.120 0.000 0.000 0.248 1238 V C 2.021 178.052 176.094 -0.104 0.000 1.054 1238 V CA 1.784 64.032 62.300 -0.087 0.000 1.073 1238 V CB -0.006 31.761 31.823 -0.093 0.000 0.699 1238 V HN 0.383 nan 8.190 nan 0.000 0.463 1239 T N 0.020 114.531 114.554 -0.073 0.000 2.674 1239 T HA -0.210 4.140 4.350 0.000 0.000 0.265 1239 T C 1.683 176.321 174.700 -0.104 0.000 1.039 1239 T CA 1.827 63.890 62.100 -0.062 0.000 1.150 1239 T CB -0.397 68.464 68.868 -0.011 0.000 0.864 1239 T HN 0.442 nan 8.240 nan 0.000 0.427 1240 D N 1.211 121.563 120.400 -0.080 0.000 2.133 1240 D HA -0.091 4.549 4.640 0.000 0.000 0.192 1240 D C 2.126 178.351 176.300 -0.125 0.000 1.001 1240 D CA 0.949 54.898 54.000 -0.085 0.000 0.844 1240 D CB -0.472 40.293 40.800 -0.059 0.000 0.944 1240 D HN 0.317 nan 8.370 nan 0.000 0.447 1241 L N -0.141 121.005 121.223 -0.128 0.000 2.127 1241 L HA -0.155 4.185 4.340 0.000 0.000 0.211 1241 L C 2.609 179.316 176.870 -0.273 0.000 1.089 1241 L CA 0.805 55.563 54.840 -0.136 0.000 0.757 1241 L CB -0.253 41.763 42.059 -0.073 0.000 0.899 1241 L HN 0.059 nan 8.230 nan 0.000 0.434 1242 M N -0.885 118.466 119.600 -0.415 0.000 2.193 1242 M HA -0.155 4.325 4.480 0.000 0.000 0.265 1242 M C 2.947 178.777 176.300 -0.783 0.000 1.071 1242 M CA 1.748 56.514 55.300 -0.889 0.000 1.140 1242 M CB -0.387 31.629 32.600 -0.974 0.000 1.369 1242 M HN 0.238 nan 8.290 nan 0.000 0.423 1243 R N 0.523 120.794 120.500 -0.381 0.000 2.127 1243 R HA -0.094 4.246 4.340 0.000 0.000 0.238 1243 R C 1.627 177.809 176.300 -0.195 0.000 1.134 1243 R CA 2.011 57.966 56.100 -0.240 0.000 0.975 1243 R CB -1.524 28.689 30.300 -0.145 0.000 0.865 1243 R HN 0.456 nan 8.270 nan 0.000 0.447 1244 M N -0.320 119.160 119.600 -0.200 0.000 2.077 1244 M HA -0.104 4.376 4.480 0.000 0.000 0.261 1244 M C 2.649 178.870 176.300 -0.131 0.000 1.070 1244 M CA 1.672 56.895 55.300 -0.129 0.000 1.125 1244 M CB -0.295 32.240 32.600 -0.109 0.000 1.339 1244 M HN 0.430 nan 8.290 nan 0.000 0.409 1245 C N -0.737 118.407 119.300 -0.261 0.000 2.419 1245 C HA -0.140 4.320 4.460 0.000 0.000 0.283 1245 C C 1.799 176.732 174.990 -0.095 0.000 1.373 1245 C CA 0.234 59.116 59.018 -0.226 0.000 1.781 1245 C CB -1.187 26.319 27.740 -0.391 0.000 1.886 1245 C HN 0.655 nan 8.230 nan 0.000 0.520 1246 W N 0.410 121.610 121.300 -0.168 0.000 3.330 1246 W HA 0.260 4.920 4.660 0.000 0.000 0.348 1246 W C 0.649 177.254 176.519 0.144 0.000 1.205 1246 W CA -0.465 56.755 57.345 -0.208 0.000 1.841 1246 W CB -1.005 28.131 29.460 -0.540 0.000 1.084 1246 W HN 0.359 nan 8.180 nan 0.000 0.665 1247 Q N 0.662 120.634 119.800 0.286 0.000 2.269 1247 Q HA -0.124 4.216 4.340 0.000 0.000 0.300 1247 Q C 1.152 177.371 176.000 0.364 0.000 1.070 1247 Q CA 0.275 56.225 55.803 0.244 0.000 0.957 1247 Q CB 0.278 29.097 28.738 0.134 0.000 1.131 1247 Q HN 0.181 nan 8.270 nan 0.000 0.377 1248 F N 3.254 123.314 119.950 0.185 0.000 2.202 1248 F HA -0.180 4.347 4.527 0.000 0.000 0.301 1248 F C 0.933 176.766 175.800 0.055 0.000 1.082 1248 F CA 1.016 59.095 58.000 0.131 0.000 1.313 1248 F CB 0.207 39.253 39.000 0.077 0.000 1.024 1248 F HN 0.477 nan 8.300 nan 0.000 0.495 1249 N N 1.949 120.637 118.700 -0.019 0.000 2.558 1249 N HA 0.149 4.889 4.740 0.000 0.000 0.233 1249 N C -1.765 173.703 175.510 -0.070 0.000 1.038 1249 N CA -2.697 50.282 53.050 -0.119 0.000 0.934 1249 N CB 0.642 39.125 38.487 -0.007 0.000 1.175 1249 N HN -0.035 nan 8.380 nan 0.000 0.512 1250 P HA -0.243 nan 4.420 nan 0.000 0.221 1250 P C 0.210 177.492 177.300 -0.030 0.000 1.153 1250 P CA 1.380 64.442 63.100 -0.063 0.000 0.858 1250 P CB 0.330 31.965 31.700 -0.107 0.000 0.783 1251 N N -1.425 117.255 118.700 -0.035 0.000 2.521 1251 N HA 0.035 4.775 4.740 0.000 0.000 0.188 1251 N C 1.418 176.922 175.510 -0.010 0.000 1.146 1251 N CA 0.653 53.690 53.050 -0.022 0.000 0.893 1251 N CB -0.226 38.248 38.487 -0.021 0.000 0.975 1251 N HN 0.255 nan 8.380 nan 0.000 0.451 1252 M N -0.169 119.432 119.600 0.002 0.000 2.414 1252 M HA 0.129 4.609 4.480 0.000 0.000 0.251 1252 M C 0.362 176.666 176.300 0.006 0.000 1.116 1252 M CA 0.150 55.457 55.300 0.011 0.000 1.056 1252 M CB 0.154 32.772 32.600 0.030 0.000 1.388 1252 M HN -0.078 nan 8.290 nan 0.000 0.487 1253 R N 1.918 122.423 120.500 0.008 0.000 2.490 1253 R HA 0.227 4.567 4.340 0.000 0.000 0.280 1253 R C -2.003 174.264 176.300 -0.055 0.000 1.077 1253 R CA -1.220 54.877 56.100 -0.005 0.000 1.065 1253 R CB 0.085 30.404 30.300 0.032 0.000 1.003 1253 R HN 0.064 nan 8.270 nan 0.000 0.470 1254 P HA 0.034 nan 4.420 nan 0.000 0.277 1254 P C -0.569 176.615 177.300 -0.195 0.000 1.276 1254 P CA -0.318 62.714 63.100 -0.113 0.000 0.788 1254 P CB 0.533 32.167 31.700 -0.109 0.000 1.114 1255 T N -3.485 110.965 114.554 -0.172 0.000 2.945 1255 T HA 0.356 4.706 4.350 0.000 0.000 0.286 1255 T C 1.048 175.598 174.700 -0.249 0.000 1.025 1255 T CA -0.457 61.514 62.100 -0.215 0.000 1.039 1255 T CB 0.283 69.118 68.868 -0.054 0.000 1.068 1255 T HN 0.073 nan 8.240 nan 0.000 0.497 1256 F N 0.149 120.065 119.950 -0.057 0.000 2.161 1256 F HA 0.038 4.566 4.527 0.000 0.000 0.300 1256 F C 2.173 177.953 175.800 -0.032 0.000 1.089 1256 F CA 0.961 58.884 58.000 -0.127 0.000 1.282 1256 F CB -0.878 38.064 39.000 -0.096 0.000 1.010 1256 F HN 0.444 nan 8.300 nan 0.000 0.485 1257 L N -0.485 120.877 121.223 0.232 0.000 2.027 1257 L HA -0.188 4.152 4.340 0.000 0.000 0.206 1257 L C 2.344 179.340 176.870 0.209 0.000 1.074 1257 L CA 1.365 56.380 54.840 0.291 0.000 0.745 1257 L CB -0.642 41.598 42.059 0.300 0.000 0.898 1257 L HN 0.098 nan 8.230 nan 0.000 0.433 1258 E N -0.082 120.181 120.200 0.105 0.000 2.160 1258 E HA -0.237 4.113 4.350 0.000 0.000 0.195 1258 E C 2.162 178.772 176.600 0.018 0.000 0.991 1258 E CA 0.922 57.359 56.400 0.062 0.000 0.810 1258 E CB 0.124 29.829 29.700 0.009 0.000 0.742 1258 E HN 0.343 nan 8.360 nan 0.000 0.466 1259 I N 0.234 120.789 120.570 -0.025 0.000 2.162 1259 I HA -0.206 3.964 4.170 0.000 0.000 0.238 1259 I C 2.377 178.454 176.117 -0.066 0.000 1.076 1259 I CA 0.920 62.180 61.300 -0.067 0.000 1.353 1259 I CB -1.043 36.859 38.000 -0.163 0.000 1.063 1259 I HN 0.019 nan 8.210 nan 0.000 0.408 1260 V N 1.514 121.394 119.914 -0.057 0.000 2.324 1260 V HA -0.326 3.794 4.120 0.000 0.000 0.250 1260 V C 2.282 178.157 176.094 -0.366 0.000 1.060 1260 V CA 2.340 64.541 62.300 -0.165 0.000 1.042 1260 V CB -1.145 30.612 31.823 -0.111 0.000 0.650 1260 V HN 0.460 nan 8.190 nan 0.000 0.450 1261 N N -0.108 118.455 118.700 -0.228 0.000 2.120 1261 N HA -0.147 4.593 4.740 0.000 0.000 0.188 1261 N C 1.494 176.968 175.510 -0.060 0.000 1.024 1261 N CA 1.002 53.985 53.050 -0.112 0.000 0.852 1261 N CB -0.267 38.361 38.487 0.235 0.000 1.003 1261 N HN 0.307 nan 8.380 nan 0.000 0.424 1262 L N 0.126 121.325 121.223 -0.040 0.000 2.450 1262 L HA 0.028 4.368 4.340 0.000 0.000 0.224 1262 L C 1.254 178.091 176.870 -0.054 0.000 1.149 1262 L CA 1.211 56.032 54.840 -0.030 0.000 0.816 1262 L CB -0.129 41.914 42.059 -0.027 0.000 0.932 1262 L HN 0.355 nan 8.230 nan 0.000 0.449 1263 L N -2.115 119.048 121.223 -0.099 0.000 2.685 1263 L HA 0.034 4.375 4.340 0.000 0.000 0.235 1263 L C 2.156 178.949 176.870 -0.128 0.000 1.070 1263 L CA 0.187 54.957 54.840 -0.117 0.000 0.888 1263 L CB -0.420 41.551 42.059 -0.147 0.000 1.203 1263 L HN 0.133 nan 8.230 nan 0.000 0.499 1264 K N 0.328 120.640 120.400 -0.147 0.000 2.229 1264 K HA -0.325 3.995 4.320 0.000 0.000 0.211 1264 K C 0.985 177.604 176.600 0.031 0.000 1.044 1264 K CA 2.395 58.660 56.287 -0.038 0.000 0.935 1264 K CB -0.705 31.804 32.500 0.015 0.000 0.732 1264 K HN 0.260 nan 8.250 nan 0.000 0.478 1265 D N 1.192 121.599 120.400 0.011 0.000 2.144 1265 D HA -0.077 4.563 4.640 0.000 0.000 0.200 1265 D C 0.501 176.795 176.300 -0.011 0.000 0.978 1265 D CA 1.046 55.059 54.000 0.020 0.000 0.833 1265 D CB -0.144 40.667 40.800 0.019 0.000 0.961 1265 D HN 0.352 nan 8.370 nan 0.000 0.470 1266 D N 0.681 121.049 120.400 -0.054 0.000 3.071 1266 D HA 0.191 4.831 4.640 0.000 0.000 0.259 1266 D C 0.173 176.396 176.300 -0.129 0.000 1.331 1266 D CA 0.029 53.985 54.000 -0.073 0.000 0.861 1266 D CB 0.586 41.341 40.800 -0.076 0.000 1.059 1266 D HN 0.164 nan 8.370 nan 0.000 0.486 1267 L N -0.709 120.438 121.223 -0.126 0.000 2.279 1267 L HA 0.390 4.731 4.340 0.000 0.000 0.262 1267 L C 0.530 177.379 176.870 -0.035 0.000 1.019 1267 L CA -1.099 53.620 54.840 -0.201 0.000 0.823 1267 L CB 1.714 43.527 42.059 -0.411 0.000 1.358 1267 L HN 0.027 nan 8.230 nan 0.000 0.432 1268 H N 1.770 120.830 119.070 -0.016 0.000 2.972 1268 H HA -0.038 4.518 4.556 0.000 0.000 0.343 1268 H C -1.363 174.022 175.328 0.096 0.000 1.054 1268 H CA -0.983 55.095 56.048 0.051 0.000 1.412 1268 H CB 0.687 30.501 29.762 0.086 0.000 1.385 1268 H HN 0.391 nan 8.280 nan 0.000 0.600 1269 P HA -0.190 nan 4.420 nan 0.000 0.218 1269 P C 1.148 178.528 177.300 0.134 0.000 1.148 1269 P CA 1.528 64.708 63.100 0.133 0.000 0.822 1269 P CB 0.109 31.857 31.700 0.079 0.000 0.784 1270 S N -2.135 113.652 115.700 0.145 0.000 2.805 1270 S HA -0.063 4.407 4.470 0.000 0.000 0.230 1270 S C 1.503 176.205 174.600 0.170 0.000 0.968 1270 S CA -0.284 57.981 58.200 0.108 0.000 0.976 1270 S CB -1.516 61.732 63.200 0.080 0.000 0.787 1270 S HN -0.061 nan 8.310 nan 0.000 0.533 1271 F N 3.145 123.134 119.950 0.065 0.000 2.118 1271 F HA 0.250 4.778 4.527 0.000 0.000 0.293 1271 F C -1.189 174.636 175.800 0.042 0.000 1.102 1271 F CA 0.087 58.151 58.000 0.108 0.000 1.247 1271 F CB -1.072 38.010 39.000 0.135 0.000 1.017 1271 F HN 0.197 nan 8.300 nan 0.000 0.475 1272 P HA -0.139 nan 4.420 nan 0.000 0.220 1272 P C 1.242 178.421 177.300 -0.202 0.000 1.148 1272 P CA 1.667 64.481 63.100 -0.476 0.000 0.803 1272 P CB -0.063 31.284 31.700 -0.589 0.000 0.782 1273 E N -0.534 119.576 120.200 -0.150 0.000 2.051 1273 E HA -0.138 4.213 4.350 0.000 0.000 0.192 1273 E C 1.838 178.339 176.600 -0.164 0.000 0.991 1273 E CA 1.828 58.153 56.400 -0.125 0.000 0.799 1273 E CB -0.383 29.253 29.700 -0.107 0.000 0.748 1273 E HN 0.205 nan 8.360 nan 0.000 0.449 1274 V N -0.798 118.974 119.914 -0.236 0.000 2.825 1274 V HA 0.041 4.161 4.120 0.000 0.000 0.246 1274 V C 1.185 177.121 176.094 -0.263 0.000 1.068 1274 V CA 0.219 62.326 62.300 -0.322 0.000 1.088 1274 V CB -0.096 31.366 31.823 -0.602 0.000 0.733 1274 V HN 0.124 nan 8.190 nan 0.000 0.468 1275 S N 0.367 115.871 115.700 -0.327 0.000 2.558 1275 S HA 0.105 4.575 4.470 0.000 0.000 0.288 1275 S C 0.680 175.313 174.600 0.055 0.000 1.318 1275 S CA 0.220 58.271 58.200 -0.249 0.000 1.056 1275 S CB 0.263 63.074 63.200 -0.648 0.000 0.853 1275 S HN 0.541 nan 8.310 nan 0.000 0.505 1276 F N 4.303 124.280 119.950 0.045 0.000 2.163 1276 F HA 0.017 4.544 4.527 0.000 0.000 0.297 1276 F C 1.626 177.519 175.800 0.156 0.000 1.094 1276 F CA 1.240 59.307 58.000 0.112 0.000 1.290 1276 F CB -0.507 38.611 39.000 0.196 0.000 1.017 1276 F HN 0.763 nan 8.300 nan 0.000 0.483 1277 F N 1.278 121.307 119.950 0.132 0.000 2.087 1277 F HA -0.288 4.239 4.527 0.000 0.000 0.299 1277 F C 2.116 177.762 175.800 -0.257 0.000 1.100 1277 F CA 2.530 60.490 58.000 -0.066 0.000 1.226 1277 F CB -0.981 38.004 39.000 -0.025 0.000 0.983 1277 F HN 0.102 nan 8.300 nan 0.000 0.479 1278 H N -0.444 118.729 119.070 0.172 0.000 2.551 1278 H HA 0.152 4.708 4.556 0.000 0.000 0.266 1278 H C 1.469 176.722 175.328 -0.125 0.000 0.977 1278 H CA 0.412 56.468 56.048 0.013 0.000 1.163 1278 H CB -0.401 29.434 29.762 0.122 0.000 1.381 1278 H HN 0.240 nan 8.280 nan 0.000 0.581 1279 S N 0.292 115.940 115.700 -0.087 0.000 2.596 1279 S HA 0.135 4.606 4.470 0.000 0.000 0.260 1279 S C 1.692 176.175 174.600 -0.196 0.000 1.336 1279 S CA 0.058 58.175 58.200 -0.137 0.000 0.993 1279 S CB 1.144 64.246 63.200 -0.163 0.000 0.923 1279 S HN 0.543 nan 8.310 nan 0.000 0.567 1280 E N -0.113 120.009 120.200 -0.130 0.000 2.230 1280 E HA 0.001 4.351 4.350 0.000 0.000 0.192 1280 E C 1.690 178.209 176.600 -0.135 0.000 0.987 1280 E CA 1.071 57.401 56.400 -0.115 0.000 0.841 1280 E CB -0.963 28.700 29.700 -0.062 0.000 0.783 1280 E HN 0.916 nan 8.360 nan 0.000 0.481 1281 E N 0.291 120.409 120.200 -0.137 0.000 2.463 1281 E HA -0.138 4.213 4.350 0.000 0.000 0.201 1281 E C 0.348 176.830 176.600 -0.196 0.000 1.045 1281 E CA 0.419 56.769 56.400 -0.084 0.000 0.872 1281 E CB -0.122 29.611 29.700 0.056 0.000 0.797 1281 E HN 0.368 nan 8.360 nan 0.000 0.538 1282 N N 0.353 118.807 118.700 -0.410 0.000 2.645 1282 N HA 0.212 4.953 4.740 0.000 0.000 0.233 1282 N C -1.045 174.332 175.510 -0.222 0.000 1.058 1282 N CA 0.201 52.981 53.050 -0.449 0.000 0.942 1282 N CB 0.649 38.694 38.487 -0.737 0.000 1.210 1282 N HN 0.101 nan 8.380 nan 0.000 0.512 1283 K N 0.000 120.336 120.400 -0.106 0.000 2.780 1283 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1283 K CA 0.000 56.245 56.287 -0.071 0.000 0.838 1283 K CB 0.000 32.458 32.500 -0.071 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543